Difference between revisions of "Hemo Task7 Minimise Table"

From Bioinformatikpedia
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|+ style="caption-side: top; text-align: left" | <font size=1>'''Table 1''': Summary of the absolute energy values for each mutation model after one to five consecutive iterations with minimise.
  
|+ style="caption-side: top; text-align: left" | <font size=1>'''Table 1''': Summary of the absolute energy values for each mutation model after one to five consecutive iterations with minimise.
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|}
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</figtable>
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<figtable id="TODO_ID">
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{| class="wikitable" style="width: 1000px; margin: 1em 1em 1em 0; border-collapse: collapse; border-style: solid; border-width:0px; border-color: #000"
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|-
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |Mutation
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |SCWRL mt
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |SCWRL wt
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |SCWRL norm.
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |original norm.
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |FoldX mt
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |FoldX wt
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |FoldX norm.
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! style="text-align:left; border-style: solid; border-width: 1px 1px 2px 1px" |original norm.
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |M35T
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5343.539028
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |2.431904837
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |17.72037844
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5483.881432
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5498.489223
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |2.656691758
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |7.744433688
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |V53M
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5364.013588
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |-1.390424842
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |70.34982121
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5489.780636
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5475.432132
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-2.620524491
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |3.705278503
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|-
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |G93R
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5314.473591
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |7.858037681
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |16.14153574
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5414.755417
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5474.48533
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |10.91059879
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-3.772906935
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |Q127H
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5327.747688
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |5.379939254
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |17.91113835
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5446.803731
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5474.67617
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |5.091157565
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-3.676245328
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |A162S
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5363.950234
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-1.378597488
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |38.09921951
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5472.535889
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5466.905535
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-1.029897803
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |6.643335904
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |L183P
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5249.683128
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |19.9535606
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |0.284110511
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5393.045097
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5466.579008
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |13.45154088
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |33.99673341
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |T217I
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5365.930565
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-1.748299106
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |48.10396821
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5461.614531
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5460.146293
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-0.268900854
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |9.312876843
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |R224W
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5402.307497
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-8.539391409
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |53.50612664
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5527.618333
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5471.893201
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-10.18388517
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |2.104124083
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |E277K
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5307.33335
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |9.191026282
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |122.4069842
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5453.929743
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5464.675857
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |1.966468695
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |25.85492841
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|-
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |C282S
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5351.010687
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5356.565686
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |1.037044876
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |34.74671548
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5459.411068
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |-5467.373172
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| style="border-style: solid; border-width: 1px 1px 1px 1px" |1.456294229
  +
| style="border-style: solid; border-width: 1px 1px 1px 1px" |46.69076258
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|-
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|+ style="caption-side: top; text-align: left" | <font size=1>'''Table 2''': Summary of all values for the 2nd iteration of minimise. The values were then normalized (norm = -1*((mt/wt)-1)*1000) and compared to the normalized values for the original models.
 
|}
  
|}
 
</figtable>
  
</figtable>

Revision as of 12:16, 25 June 2012

<figtable id="TODO_ID">

Model Run 1 Run 2 Run 3 Run 4 Run 5
foldX_A162S -5380.005499 -5472.535889 -5339.818128 -5316.105806 -5269.977161
foldX_A162S_WT -5375.007992 -5466.905535 -5329.653049 -5305.22254 -5258.907137
foldX_C282S -5367.186923 -5459.411068 -5324.583393 -5300.936654 -5249.917429
foldX_C282S_WT -5375.133318 -5467.373172 -5329.792663 -5303.542847 -5256.960102
foldX_E277K -5383.477652 -5453.929743 -5303.959295 -5273.206266 -5224.477387
foldX_E277K_WT -5373.746009 -5464.675857 -5328.084594 -5302.140171 -5252.768621
foldX_G93R -5327.046726 -5414.755417 -5276.940306 -5255.119804 -5215.075364
foldX_G93R_WT -5375.77886 -5474.48533 -5335.862192 -5314.54751 -5263.939055
foldX_L183P -4774.920225 -5393.045097 -5284.94663 -5231.563009 -5102.237642
foldX_L183P_WT -5373.297082 -5466.579008 -5337.438708 -5285.809661 -5225.879231
foldX_M35T -5385.066828 -5483.881432 -5362.712974 -5360.355204 -5311.938625
foldX_M35T_WT -5404.887369 -5498.489223 -5376.924008 -5372.163063 -5330.126385
foldX_Q127H -5373.119184 -5446.803731 -5322.313519 -5292.997937 -5251.564437
foldX_Q127H_WT -5386.120103 -5474.67617 -5330.028175 -5304.517789 -5251.365238
foldX_R224W -5421.219977 -5527.618333 -5378.068122 -5348.90132 -5299.717939
foldX_R224W_WT -5382.401501 -5471.893201 -5336.969327 -5305.022237 -5253.818574
foldX_T217I -5382.837021 -5461.614531 -5338.619722 -5311.993335 -5266.379855
foldX_T217I_WT -5375.969098 -5460.146293 -5332.558974 -5308.512701 -5262.23209
foldX_V53M -5397.020935 -5489.780636 -5359.918388 -5337.554248 -5285.985697
foldX_V53M_WT -5387.431598 -5475.432132 -5342.269477 -5317.067638 -5267.728546
scwrl_A162S -5264.992377 -5363.950234 -5397.221295 -5403.140117 -5282.925326
scwrl_C282S -5262.140516 -5351.010687 -5391.555706 -5396.360775 -5285.77918
scwrl_E277K -4039.353946 -5307.33335 -5336.330885 -5305.107935 -5280.100206
scwrl_G93R -5242.511394 -5314.473591 -5367.666089 -5319.782375 -5336.868131
scwrl_L183P -3742.508292 -5249.683128 -5301.838982 -5298.882819 -5249.566537
scwrl_M35T -5256.492647 -5343.539028 -5384.422876 -5392.599804 -5271.94014
scwrl_Q127H -5266.790002 -5327.747688 -5382.691971 -5375.852445 -5256.250214
scwrl_R224W -5304.985055 -5402.307497 -5411.560514 -5342.197532 -5255.631534
scwrl_T217I -5276.742704 -5365.930565 -5410.517743 -5365.963329 -5263.724711
scwrl_V53M -5265.972792 -5364.013588 -5421.303891 -5369.419361 -5269.550376
scwrl_WT -5270.508503 -5356.565686 -5398.405182 -5400.22192 -5287.843905
Table 1: Summary of the absolute energy values for each mutation model after one to five consecutive iterations with minimise.

</figtable>


<figtable id="TODO_ID">

Mutation SCWRL mt SCWRL wt SCWRL norm. original norm. FoldX mt FoldX wt FoldX norm. original norm.
M35T -5343.539028 -5356.565686 2.431904837 17.72037844 -5483.881432 -5498.489223 2.656691758 7.744433688
V53M -5364.013588 -5356.565686 -1.390424842 70.34982121 -5489.780636 -5475.432132 -2.620524491 3.705278503
G93R -5314.473591 -5356.565686 7.858037681 16.14153574 -5414.755417 -5474.48533 10.91059879 -3.772906935
Q127H -5327.747688 -5356.565686 5.379939254 17.91113835 -5446.803731 -5474.67617 5.091157565 -3.676245328
A162S -5363.950234 -5356.565686 -1.378597488 38.09921951 -5472.535889 -5466.905535 -1.029897803 6.643335904
L183P -5249.683128 -5356.565686 19.9535606 0.284110511 -5393.045097 -5466.579008 13.45154088 33.99673341
T217I -5365.930565 -5356.565686 -1.748299106 48.10396821 -5461.614531 -5460.146293 -0.268900854 9.312876843
R224W -5402.307497 -5356.565686 -8.539391409 53.50612664 -5527.618333 -5471.893201 -10.18388517 2.104124083
E277K -5307.33335 -5356.565686 9.191026282 122.4069842 -5453.929743 -5464.675857 1.966468695 25.85492841
C282S -5351.010687 -5356.565686 1.037044876 34.74671548 -5459.411068 -5467.373172 1.456294229 46.69076258
Table 2: Summary of all values for the 2nd iteration of minimise. The values were then normalized (norm = -1*((mt/wt)-1)*1000) and compared to the normalized values for the original models.

</figtable>

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