FMODB ID: 2LKGR
Calculation Name: 1NL3-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1NL3
Chain ID: A
UniProt ID: P9WGP5
Base Structure: X-ray
Registration Date: 2023-09-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 839 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -21729899.386007 |
---|---|
FMO2-HF: Nuclear repulsion | 21397451.753386 |
FMO2-HF: Total energy | -332447.63262 |
FMO2-MP2: Total energy | -333419.357388 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:-15:ASP)
Summations of interaction energy for
fragment #1(A:-15:ASP)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
146.656 | 136.167 | 28.598 | -12.073 | -6.035 | 0.076 |
Interaction energy analysis for fragmet #1(A:-15:ASP)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | -13 | PRO | 0 | -0.008 | 0.012 | 3.907 | 2.242 | 5.545 | -0.018 | -1.811 | -1.473 | 0.006 |
4 | A | -12 | ASP | -1 | -0.721 | -0.870 | 6.488 | 26.200 | 26.200 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | -11 | LEU | 0 | -0.007 | -0.010 | 9.271 | -3.179 | -3.179 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | -10 | GLY | 0 | -0.013 | -0.008 | 12.242 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | -9 | THR | 0 | -0.016 | 0.017 | 11.282 | -0.963 | -0.963 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | -8 | LEU | 0 | 0.001 | 0.011 | 13.873 | 0.602 | 0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | -7 | VAL | 0 | 0.042 | 0.022 | 13.496 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | -6 | PRO | 0 | -0.058 | -0.031 | 11.338 | 1.039 | 1.039 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | -5 | ARG | 1 | 0.917 | 0.947 | 7.415 | -23.975 | -23.975 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | -4 | GLY | 0 | 0.062 | 0.023 | 4.950 | 2.189 | 2.189 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | -3 | SER | 0 | 0.013 | -0.027 | 1.541 | -28.167 | -42.108 | 28.617 | -10.226 | -4.450 | 0.070 |
14 | A | -2 | MET | 0 | -0.041 | -0.007 | 4.710 | -5.381 | -5.232 | -0.001 | -0.036 | -0.112 | 0.000 |
15 | A | -1 | ALA | 0 | 0.041 | 0.016 | 7.765 | -4.104 | -4.104 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 0 | ASP | -1 | -0.765 | -0.840 | 7.250 | 29.732 | 29.732 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 1 | ILE | 0 | 0.001 | -0.004 | 6.875 | -3.986 | -3.986 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 2 | LEU | 0 | -0.055 | -0.040 | 10.133 | -3.468 | -3.468 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 3 | SER | 0 | 0.032 | -0.002 | 12.268 | -2.746 | -2.746 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 4 | LYS | 1 | 0.777 | 0.864 | 9.950 | -30.973 | -30.973 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 5 | LEU | 0 | -0.045 | -0.031 | 13.843 | -1.813 | -1.813 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 6 | LEU | 0 | -0.018 | 0.004 | 16.382 | -1.297 | -1.297 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 7 | ARG | 1 | 0.929 | 0.972 | 18.185 | -15.983 | -15.983 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 8 | LEU | 0 | -0.029 | -0.014 | 18.117 | -0.709 | -0.709 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 9 | GLY | 0 | 0.023 | 0.021 | 21.245 | -0.448 | -0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 10 | GLU | -1 | -0.785 | -0.874 | 20.102 | 15.081 | 15.081 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 11 | GLY | 0 | 0.040 | 0.015 | 21.592 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 12 | ARG | 1 | 0.787 | 0.867 | 16.395 | -16.785 | -16.785 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 13 | MET | 0 | 0.077 | 0.052 | 14.254 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 14 | VAL | 0 | 0.039 | 0.023 | 17.470 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 15 | LYS | 1 | 0.829 | 0.910 | 19.674 | -14.783 | -14.783 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 16 | ARG | 1 | 0.736 | 0.852 | 12.023 | -23.678 | -23.678 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 17 | LEU | 0 | 0.031 | 0.004 | 17.882 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 18 | LYS | 1 | 0.827 | 0.895 | 19.978 | -12.251 | -12.251 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 19 | LYS | 1 | 0.959 | 0.977 | 19.003 | -15.659 | -15.659 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 20 | VAL | 0 | 0.011 | 0.015 | 17.772 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 21 | ALA | 0 | 0.006 | 0.003 | 20.839 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 22 | ASP | -1 | -0.793 | -0.882 | 24.340 | 11.595 | 11.595 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 23 | TYR | 0 | -0.006 | 0.003 | 22.420 | -0.243 | -0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 24 | VAL | 0 | 0.031 | 0.024 | 23.321 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 25 | GLY | 0 | -0.008 | -0.002 | 25.876 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 26 | THR | 0 | -0.127 | -0.088 | 27.110 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 27 | LEU | 0 | 0.019 | 0.010 | 24.438 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 28 | SER | 0 | -0.048 | -0.040 | 28.986 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 29 | ASP | -1 | -0.800 | -0.893 | 31.865 | 8.581 | 8.581 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 30 | ASP | -1 | -0.886 | -0.926 | 31.117 | 9.383 | 9.383 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 31 | VAL | 0 | -0.061 | -0.028 | 29.872 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 32 | GLU | -1 | -0.877 | -0.902 | 32.995 | 8.557 | 8.557 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 33 | LYS | 1 | 0.707 | 0.820 | 35.190 | -9.095 | -9.095 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 34 | LEU | 0 | -0.051 | 0.009 | 32.421 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 35 | THR | 0 | 0.008 | -0.015 | 37.113 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 36 | ASP | -1 | -0.816 | -0.912 | 37.614 | 7.893 | 7.893 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 37 | ALA | 0 | -0.023 | -0.016 | 37.066 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 38 | GLU | -1 | -0.866 | -0.917 | 35.504 | 8.175 | 8.175 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 39 | LEU | 0 | -0.008 | -0.003 | 32.148 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 40 | ARG | 1 | 0.866 | 0.932 | 32.187 | -7.940 | -7.940 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 41 | ALA | 0 | -0.016 | -0.008 | 32.152 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 42 | LYS | 1 | 0.821 | 0.885 | 27.289 | -10.465 | -10.465 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 43 | THR | 0 | 0.023 | 0.016 | 27.595 | 0.522 | 0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 44 | ASP | -1 | -0.828 | -0.918 | 26.992 | 9.816 | 9.816 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 45 | GLU | -1 | -0.924 | -0.933 | 26.915 | 10.826 | 10.826 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 46 | PHE | 0 | 0.036 | 0.003 | 23.126 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 47 | LYS | 1 | 0.892 | 0.939 | 22.888 | -9.509 | -9.509 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 48 | ARG | 1 | 0.896 | 0.962 | 23.678 | -9.692 | -9.692 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 49 | ARG | 1 | 0.700 | 0.787 | 21.601 | -12.439 | -12.439 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 50 | LEU | 0 | -0.034 | -0.012 | 17.702 | 0.600 | 0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 51 | ALA | 0 | -0.019 | -0.006 | 19.106 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 52 | ASP | -1 | -0.815 | -0.873 | 21.278 | 12.139 | 12.139 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 53 | GLN | 0 | 0.023 | -0.006 | 19.536 | 0.634 | 0.634 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 54 | LYS | 1 | 0.789 | 0.893 | 19.722 | -11.693 | -11.693 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 55 | ASN | 0 | -0.105 | -0.070 | 19.647 | 0.394 | 0.394 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 56 | PRO | 0 | 0.017 | 0.030 | 15.489 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 57 | GLU | -1 | -0.779 | -0.853 | 15.848 | 14.659 | 14.659 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 58 | THR | 0 | -0.035 | -0.056 | 11.102 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 59 | LEU | 0 | 0.047 | 0.007 | 14.513 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 60 | ASP | -1 | -0.867 | -0.936 | 11.001 | 21.335 | 21.335 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 61 | ASP | -1 | -0.832 | -0.870 | 13.949 | 20.137 | 20.137 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 62 | LEU | 0 | 0.045 | 0.029 | 16.354 | -0.692 | -0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 63 | LEU | 0 | -0.031 | 0.006 | 17.330 | -0.626 | -0.626 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 64 | PRO | 0 | -0.043 | -0.031 | 18.949 | -0.636 | -0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 65 | GLU | -1 | -0.742 | -0.853 | 22.180 | 11.433 | 11.433 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 66 | ALA | 0 | 0.028 | 0.024 | 22.362 | -0.531 | -0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 67 | PHE | 0 | -0.013 | -0.033 | 20.689 | -0.332 | -0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 68 | ALA | 0 | 0.011 | 0.015 | 25.090 | -0.417 | -0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 69 | VAL | 0 | 0.040 | 0.013 | 27.607 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 70 | ALA | 0 | 0.016 | 0.008 | 27.319 | -0.358 | -0.358 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 71 | ARG | 1 | 0.726 | 0.824 | 29.022 | -10.582 | -10.582 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 72 | GLU | -1 | -0.739 | -0.870 | 30.732 | 8.312 | 8.312 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 73 | ALA | 0 | 0.012 | 0.005 | 32.291 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 74 | ALA | 0 | -0.006 | -0.013 | 32.647 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 75 | TRP | 0 | -0.074 | -0.041 | 34.493 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 76 | ARG | 1 | 0.745 | 0.846 | 36.925 | -8.378 | -8.378 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 77 | VAL | 0 | -0.007 | 0.010 | 36.879 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 78 | LEU | 0 | -0.062 | -0.043 | 35.982 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 79 | ASP | -1 | -0.802 | -0.869 | 39.455 | 7.086 | 7.086 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 80 | GLN | 0 | -0.077 | -0.040 | 37.195 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 81 | ARG | 1 | 0.917 | 0.951 | 33.257 | -8.983 | -8.983 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 82 | PRO | 0 | -0.029 | 0.006 | 30.716 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 83 | PHE | 0 | 0.074 | 0.037 | 32.258 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 84 | ASP | -1 | -0.793 | -0.886 | 28.653 | 10.675 | 10.675 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 85 | VAL | 0 | -0.001 | -0.009 | 27.176 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 86 | GLN | 0 | 0.031 | 0.011 | 26.877 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 87 | VAL | 0 | 0.032 | 0.027 | 24.053 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 88 | MET | 0 | -0.090 | -0.033 | 22.695 | 0.451 | 0.451 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 89 | GLY | 0 | 0.035 | 0.006 | 21.947 | 0.658 | 0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 90 | ALA | 0 | 0.013 | 0.009 | 22.554 | 0.379 | 0.379 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 91 | ALA | 0 | 0.018 | 0.009 | 18.711 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 92 | ALA | 0 | -0.009 | -0.013 | 17.965 | 0.892 | 0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 93 | LEU | 0 | 0.018 | 0.008 | 18.249 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 94 | HIS | 0 | 0.016 | 0.018 | 14.430 | -0.655 | -0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 95 | LEU | 0 | -0.043 | -0.029 | 12.543 | 0.622 | 0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 96 | GLY | 0 | 0.021 | 0.034 | 14.194 | 1.042 | 1.042 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 97 | ASN | 0 | -0.089 | -0.053 | 15.684 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 98 | VAL | 0 | 0.031 | 0.003 | 18.697 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 99 | ALA | 0 | -0.005 | 0.004 | 22.362 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 100 | GLU | -1 | -0.752 | -0.849 | 23.799 | 10.599 | 10.599 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 101 | MET | 0 | 0.002 | 0.003 | 26.530 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 102 | LYS | 1 | 0.821 | 0.901 | 29.423 | -10.550 | -10.550 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 103 | THR | 0 | 0.016 | -0.008 | 33.060 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 104 | GLY | 0 | 0.076 | 0.043 | 36.148 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 105 | GLU | -1 | -0.888 | -0.935 | 32.022 | 9.139 | 9.139 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 106 | GLY | 0 | 0.018 | 0.003 | 31.975 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 107 | LYS | 1 | 0.769 | 0.853 | 30.290 | -9.367 | -9.367 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 108 | THR | 0 | 0.070 | 0.026 | 30.051 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 109 | LEU | 0 | 0.058 | 0.039 | 31.524 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 110 | THR | 0 | -0.032 | -0.016 | 26.308 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 111 | CYS | 0 | -0.045 | -0.024 | 26.203 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 112 | VAL | 0 | 0.040 | 0.026 | 26.242 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 113 | LEU | 0 | 0.027 | 0.014 | 24.614 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 114 | PRO | 0 | -0.024 | -0.005 | 21.362 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 115 | ALA | 0 | 0.033 | 0.023 | 21.853 | 0.370 | 0.370 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 116 | TYR | 0 | 0.031 | -0.013 | 23.967 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 117 | LEU | 0 | -0.033 | -0.011 | 18.200 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 118 | ASN | 0 | -0.031 | -0.043 | 17.588 | 0.900 | 0.900 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 119 | ALA | 0 | 0.034 | 0.024 | 20.298 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 120 | LEU | 0 | -0.045 | -0.007 | 21.957 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 121 | ALA | 0 | -0.011 | -0.002 | 19.056 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 122 | GLY | 0 | 0.023 | 0.025 | 21.029 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 123 | ASN | 0 | -0.019 | -0.022 | 18.761 | -0.759 | -0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 124 | GLY | 0 | 0.037 | 0.054 | 22.733 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 125 | VAL | 0 | -0.051 | -0.027 | 22.206 | 0.535 | 0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 126 | HIS | 0 | 0.041 | 0.034 | 24.323 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 127 | ILE | 0 | -0.013 | -0.003 | 25.785 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 128 | VAL | 0 | 0.001 | 0.001 | 27.155 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 129 | THR | 0 | -0.016 | -0.016 | 29.848 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 130 | VAL | 0 | 0.051 | 0.007 | 33.029 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 131 | ASN | 0 | -0.032 | -0.023 | 35.756 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 132 | ASP | -1 | -0.700 | -0.859 | 37.945 | 7.826 | 7.826 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 133 | TYR | 0 | -0.016 | -0.001 | 39.420 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 134 | LEU | 0 | -0.032 | -0.016 | 36.808 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 135 | ALA | 0 | 0.009 | 0.022 | 35.200 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 136 | LYS | 1 | 0.915 | 0.937 | 36.183 | -6.902 | -6.902 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 137 | ARG | 1 | 0.813 | 0.888 | 37.210 | -7.893 | -7.893 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 138 | ASP | -1 | -0.816 | -0.904 | 34.332 | 8.414 | 8.414 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 139 | SER | 0 | -0.026 | -0.013 | 34.370 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 140 | GLU | -1 | -0.735 | -0.846 | 35.380 | 7.199 | 7.199 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 141 | TRP | 0 | -0.016 | -0.013 | 37.493 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 142 | MET | 0 | -0.026 | -0.015 | 32.612 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 143 | GLY | 0 | 0.016 | 0.002 | 33.640 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 144 | ARG | 1 | 0.845 | 0.934 | 34.643 | -7.513 | -7.513 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 145 | VAL | 0 | 0.008 | 0.007 | 32.186 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 146 | HIS | 0 | 0.014 | 0.010 | 28.030 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 147 | ARG | 1 | 0.888 | 0.959 | 32.156 | -7.932 | -7.932 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 148 | PHE | 0 | -0.025 | 0.001 | 34.704 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 149 | LEU | 0 | 0.002 | -0.001 | 29.436 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 150 | GLY | 0 | -0.037 | -0.001 | 32.057 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 151 | LEU | 0 | -0.062 | -0.014 | 26.848 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 152 | GLN | 0 | 0.007 | -0.010 | 31.165 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 153 | VAL | 0 | -0.063 | -0.038 | 31.183 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 154 | GLY | 0 | 0.028 | 0.028 | 32.618 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 155 | VAL | 0 | -0.034 | -0.028 | 33.668 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 156 | ILE | 0 | -0.011 | 0.011 | 32.371 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 157 | LEU | 0 | -0.011 | -0.026 | 36.142 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 158 | ALA | 0 | 0.020 | 0.004 | 39.272 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 159 | THR | 0 | -0.063 | -0.038 | 41.142 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 160 | MET | 0 | -0.068 | 0.003 | 38.548 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 161 | THR | 0 | 0.014 | -0.028 | 41.344 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 162 | PRO | 0 | 0.034 | -0.004 | 38.869 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 163 | ASP | -1 | -0.806 | -0.891 | 38.242 | 7.316 | 7.316 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 164 | GLU | -1 | -0.856 | -0.892 | 39.049 | 7.014 | 7.014 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 165 | ARG | 1 | 0.752 | 0.849 | 35.726 | -7.631 | -7.631 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 166 | ARG | 1 | 0.850 | 0.914 | 34.543 | -7.445 | -7.445 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 167 | VAL | 0 | -0.035 | -0.005 | 34.343 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 168 | ALA | 0 | -0.023 | -0.010 | 34.470 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 169 | TYR | 0 | -0.026 | -0.053 | 29.616 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 170 | ASN | 0 | -0.035 | -0.024 | 29.594 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 171 | ALA | 0 | -0.033 | 0.015 | 30.767 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 172 | ASP | -1 | -0.833 | -0.909 | 27.149 | 10.109 | 10.109 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 173 | ILE | 0 | -0.066 | -0.034 | 26.461 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 174 | THR | 0 | 0.008 | 0.006 | 28.433 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 175 | TYR | 0 | 0.010 | -0.004 | 29.516 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 176 | GLY | 0 | 0.077 | 0.021 | 31.996 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 177 | THR | 0 | -0.033 | -0.002 | 32.684 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 178 | ASN | 0 | -0.030 | -0.055 | 31.030 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 179 | ASN | 0 | -0.016 | -0.004 | 32.057 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 180 | GLU | -1 | -0.752 | -0.861 | 34.707 | 7.872 | 7.872 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 181 | PHE | 0 | 0.005 | 0.009 | 29.303 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 182 | GLY | 0 | 0.033 | 0.015 | 30.668 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 183 | PHE | 0 | 0.003 | -0.021 | 31.613 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 184 | ASP | -1 | -0.750 | -0.826 | 32.828 | 8.186 | 8.186 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 185 | TYR | 0 | 0.038 | 0.030 | 26.773 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 186 | LEU | 0 | -0.053 | -0.027 | 31.331 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 187 | ARG | 1 | 0.880 | 0.921 | 33.952 | -8.049 | -8.049 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 188 | ASP | -1 | -0.735 | -0.861 | 31.669 | 8.784 | 8.784 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 189 | ASN | 0 | -0.036 | -0.036 | 29.464 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 190 | MET | 0 | -0.058 | -0.031 | 33.227 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 191 | ALA | 0 | 0.007 | 0.034 | 35.899 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 192 | HIS | 0 | -0.023 | -0.022 | 37.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 193 | SER | 0 | -0.038 | -0.025 | 39.113 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 194 | LEU | 0 | 0.032 | 0.001 | 32.006 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 195 | ASP | -1 | -0.919 | -0.964 | 35.323 | 7.649 | 7.649 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 196 | ASP | -1 | -0.852 | -0.909 | 37.881 | 7.299 | 7.299 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 197 | LEU | 0 | -0.047 | 0.005 | 31.541 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 198 | VAL | 0 | -0.078 | -0.040 | 33.244 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 199 | GLN | 0 | -0.041 | -0.019 | 28.352 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 200 | ARG | 1 | 0.825 | 0.891 | 25.932 | -10.366 | -10.366 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 201 | GLY | 0 | 0.032 | 0.025 | 23.467 | 0.332 | 0.332 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 202 | HIS | 1 | 0.770 | 0.871 | 21.686 | -11.725 | -11.725 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 203 | HIS | 0 | 0.036 | 0.018 | 18.864 | 0.554 | 0.554 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 204 | TYR | 0 | -0.035 | -0.036 | 18.079 | 0.598 | 0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 205 | ALA | 0 | 0.025 | 0.022 | 20.147 | -0.659 | -0.659 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 206 | ILE | 0 | -0.058 | -0.019 | 21.806 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 207 | VAL | 0 | 0.037 | 0.012 | 24.287 | -0.510 | -0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 208 | ASP | -1 | -0.762 | -0.879 | 26.695 | 10.000 | 10.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 209 | GLU | -1 | -0.844 | -0.918 | 29.515 | 8.752 | 8.752 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 210 | VAL | 0 | 0.022 | 0.011 | 25.197 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 211 | ASP | -1 | -0.792 | -0.855 | 28.624 | 9.636 | 9.636 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 212 | SER | 0 | -0.023 | -0.006 | 30.642 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 213 | ILE | 0 | 0.038 | 0.024 | 29.341 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 214 | LEU | 0 | -0.011 | 0.003 | 24.494 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 215 | ILE | 0 | -0.038 | -0.002 | 26.951 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 216 | ASP | -1 | -0.807 | -0.876 | 30.783 | 8.775 | 8.775 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 217 | GLU | -1 | -0.825 | -0.903 | 33.411 | 8.538 | 8.538 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 218 | ALA | 0 | 0.026 | 0.015 | 30.450 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 219 | ARG | 1 | 0.759 | 0.856 | 32.395 | -8.243 | -8.243 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 220 | THR | 0 | -0.013 | -0.002 | 35.177 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 221 | PRO | 0 | -0.032 | -0.017 | 34.073 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 222 | LEU | 0 | -0.018 | 0.017 | 32.473 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 223 | ILE | 0 | 0.014 | -0.011 | 35.538 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 224 | ILE | 0 | -0.003 | 0.010 | 37.522 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 225 | SER | 0 | 0.030 | 0.000 | 40.179 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 226 | GLY | 0 | -0.019 | -0.007 | 43.443 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 227 | PRO | 0 | 0.006 | 0.003 | 46.567 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 228 | ALA | 0 | 0.006 | -0.015 | 47.817 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 229 | ASP | -1 | -0.955 | -0.966 | 48.017 | 6.289 | 6.289 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 230 | GLY | 0 | 0.047 | 0.042 | 50.046 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 231 | ALA | 0 | 0.023 | 0.020 | 51.102 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 232 | SER | 0 | 0.025 | -0.008 | 53.500 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 233 | ASN | 0 | -0.013 | 0.005 | 56.327 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 234 | TRP | 0 | 0.055 | 0.023 | 54.645 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 235 | TYR | 0 | 0.007 | 0.004 | 50.739 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 236 | THR | 0 | -0.024 | -0.022 | 57.471 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 237 | GLU | -1 | -0.799 | -0.894 | 60.924 | 4.760 | 4.760 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 238 | PHE | 0 | 0.027 | -0.003 | 57.442 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 239 | ALA | 0 | -0.010 | 0.001 | 60.730 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 240 | ARG | 1 | 0.797 | 0.891 | 62.287 | -4.731 | -4.731 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 241 | LEU | 0 | -0.014 | -0.018 | 62.210 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 242 | ALA | 0 | 0.034 | 0.021 | 61.911 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 243 | PRO | 0 | -0.073 | -0.035 | 63.968 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 244 | LEU | 0 | -0.053 | -0.023 | 67.469 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 245 | MET | 0 | -0.039 | 0.020 | 62.863 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 246 | GLU | -1 | -0.945 | -0.991 | 67.857 | 4.345 | 4.345 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 247 | LYS | 1 | 0.799 | 0.880 | 65.171 | -4.760 | -4.760 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 248 | ASP | -1 | -0.831 | -0.906 | 66.371 | 4.679 | 4.679 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 249 | VAL | 0 | -0.065 | -0.012 | 67.742 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 250 | HIS | 0 | 0.018 | 0.012 | 65.692 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 251 | TYR | 0 | -0.056 | -0.046 | 61.728 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 252 | GLU | -1 | -0.863 | -0.905 | 61.906 | 4.897 | 4.897 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 253 | VAL | 0 | -0.015 | -0.020 | 60.123 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 254 | ASP | -1 | -0.762 | -0.861 | 57.039 | 5.507 | 5.507 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 255 | LEU | 0 | -0.033 | -0.046 | 57.710 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 256 | ARG | 1 | 0.845 | 0.922 | 56.967 | -5.227 | -5.227 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 257 | LYS | 1 | 0.959 | 0.979 | 51.736 | -5.895 | -5.895 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 258 | ARG | 1 | 0.807 | 0.912 | 52.903 | -5.483 | -5.483 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 259 | THR | 0 | 0.052 | 0.024 | 53.050 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 260 | VAL | 0 | -0.030 | -0.020 | 55.136 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 261 | GLY | 0 | 0.041 | 0.031 | 56.265 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 262 | VAL | 0 | -0.022 | -0.021 | 57.934 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 263 | HIS | 0 | 0.042 | 0.009 | 60.028 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 264 | GLU | -1 | -0.763 | -0.875 | 62.285 | 5.009 | 5.009 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 265 | LYS | 1 | 0.928 | 0.967 | 63.868 | -4.409 | -4.409 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 266 | GLY | 0 | 0.014 | -0.004 | 63.747 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 267 | VAL | 0 | -0.035 | -0.008 | 59.719 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 268 | GLU | -1 | -0.871 | -0.934 | 62.266 | 4.521 | 4.521 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 269 | PHE | 0 | -0.020 | -0.018 | 65.580 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 270 | VAL | 0 | -0.002 | -0.019 | 60.623 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 271 | GLU | -1 | -0.816 | -0.913 | 60.101 | 5.146 | 5.146 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 272 | ASP | -1 | -0.892 | -0.951 | 63.672 | 4.474 | 4.474 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 273 | GLN | 0 | -0.164 | -0.082 | 65.982 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 274 | LEU | 0 | -0.063 | -0.024 | 60.597 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 275 | GLY | 0 | -0.064 | -0.013 | 64.580 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 276 | ILE | 0 | -0.123 | -0.054 | 59.938 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 277 | ASP | -1 | -0.896 | -0.953 | 61.519 | 4.794 | 4.794 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 278 | ASN | 0 | -0.013 | -0.014 | 55.820 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 279 | LEU | 0 | -0.043 | -0.028 | 56.475 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 280 | TYR | 0 | -0.007 | -0.007 | 49.413 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 281 | GLU | -1 | -0.762 | -0.876 | 52.971 | 5.270 | 5.270 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 282 | ALA | 0 | -0.010 | 0.009 | 54.653 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 283 | ALA | 0 | 0.036 | 0.004 | 50.313 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 284 | ASN | 0 | -0.007 | -0.007 | 46.981 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 285 | SER | 0 | -0.013 | 0.003 | 49.530 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 286 | PRO | 0 | -0.013 | 0.014 | 49.051 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 287 | LEU | 0 | 0.015 | -0.003 | 51.642 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 288 | VAL | 0 | 0.033 | 0.027 | 52.560 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 289 | SER | 0 | 0.008 | -0.010 | 48.928 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 290 | TYR | 0 | -0.032 | -0.024 | 49.871 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 291 | LEU | 0 | 0.041 | 0.039 | 54.448 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 292 | ASN | 0 | 0.027 | 0.010 | 53.513 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 293 | ASN | 0 | 0.005 | -0.014 | 50.437 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 294 | ALA | 0 | 0.027 | 0.016 | 54.708 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 295 | LEU | 0 | 0.000 | 0.006 | 58.344 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 296 | LYS | 1 | 0.898 | 0.943 | 51.240 | -6.069 | -6.069 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 297 | ALA | 0 | -0.011 | -0.003 | 57.179 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 298 | LYS | 1 | 0.757 | 0.886 | 58.458 | -4.838 | -4.838 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 299 | GLU | -1 | -0.814 | -0.897 | 60.922 | 4.833 | 4.833 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 300 | LEU | 0 | -0.076 | -0.026 | 56.371 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 301 | PHE | 0 | 0.014 | 0.013 | 53.171 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 302 | SER | 0 | -0.075 | -0.037 | 59.186 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 303 | ARG | 1 | 0.888 | 0.940 | 61.652 | -4.773 | -4.773 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 304 | ASP | -1 | -0.933 | -0.986 | 63.162 | 4.806 | 4.806 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 305 | LYS | 1 | 0.826 | 0.915 | 62.260 | -4.987 | -4.987 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 306 | ASP | -1 | -0.803 | -0.888 | 57.280 | 5.488 | 5.488 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 307 | TYR | 0 | -0.047 | -0.052 | 57.208 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 308 | ILE | 0 | -0.020 | -0.005 | 59.021 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 309 | VAL | 0 | 0.037 | 0.021 | 60.419 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 310 | ARG | 1 | 0.816 | 0.897 | 61.995 | -5.043 | -5.043 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 311 | ASP | -1 | -0.903 | -0.945 | 62.527 | 4.917 | 4.917 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 312 | GLY | 0 | 0.016 | 0.008 | 61.802 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 313 | GLU | -1 | -0.849 | -0.907 | 56.562 | 5.644 | 5.644 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 314 | VAL | 0 | 0.008 | 0.013 | 56.601 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 315 | LEU | 0 | -0.036 | -0.027 | 56.060 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 316 | ILE | 0 | 0.066 | 0.039 | 51.597 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 317 | VAL | 0 | -0.055 | -0.020 | 55.677 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 318 | ASP | -1 | -0.820 | -0.897 | 55.319 | 5.823 | 5.823 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 319 | GLU | -1 | -0.938 | -0.956 | 56.715 | 5.412 | 5.412 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 320 | PHE | 0 | -0.042 | -0.040 | 58.722 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 321 | THR | 0 | -0.071 | -0.035 | 57.319 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 322 | GLY | 0 | -0.019 | 0.000 | 59.830 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 323 | ARG | 1 | 0.892 | 0.928 | 54.084 | -5.827 | -5.827 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 324 | VAL | 0 | 0.042 | 0.016 | 56.292 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 325 | LEU | 0 | -0.073 | -0.027 | 52.132 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 326 | ILE | 0 | 0.026 | -0.005 | 52.354 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 327 | GLY | 0 | -0.026 | -0.012 | 49.403 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 328 | ARG | 1 | 0.896 | 0.958 | 47.559 | -6.421 | -6.421 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 329 | ARG | 1 | 0.850 | 0.910 | 48.487 | -6.331 | -6.331 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 330 | TYR | 0 | 0.016 | -0.007 | 48.912 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 331 | ASN | 0 | 0.022 | 0.011 | 44.366 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 332 | GLU | -1 | -0.854 | -0.944 | 44.753 | 6.752 | 6.752 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 333 | GLY | 0 | 0.062 | 0.046 | 46.963 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 334 | MET | 0 | -0.044 | -0.012 | 50.193 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 335 | HIS | 0 | -0.063 | -0.010 | 51.530 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 336 | GLN | 0 | 0.044 | 0.014 | 49.467 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 337 | ALA | 0 | 0.005 | 0.015 | 54.454 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 338 | ILE | 0 | -0.025 | -0.012 | 55.396 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 339 | GLU | -1 | -0.843 | -0.962 | 54.780 | 5.651 | 5.651 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 340 | ALA | 0 | 0.012 | 0.014 | 58.493 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 341 | LYS | 1 | 0.832 | 0.916 | 60.344 | -5.219 | -5.219 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 342 | GLU | -1 | -0.841 | -0.907 | 61.794 | 4.857 | 4.857 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 343 | HIS | 0 | -0.084 | -0.036 | 63.656 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 344 | VAL | 0 | -0.060 | -0.019 | 59.881 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 345 | GLU | -1 | -0.938 | -0.969 | 61.519 | 4.973 | 4.973 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 346 | ILE | 0 | -0.008 | 0.003 | 55.509 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 347 | LYS | 1 | 0.835 | 0.895 | 56.405 | -5.500 | -5.500 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 348 | ALA | 0 | -0.007 | 0.007 | 55.022 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 349 | GLU | -1 | -0.903 | -0.952 | 50.963 | 5.824 | 5.824 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 350 | ASN | 0 | -0.077 | -0.056 | 48.087 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 351 | GLN | 0 | -0.014 | -0.009 | 42.955 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 352 | THR | 0 | -0.080 | -0.079 | 38.440 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 353 | LEU | 0 | -0.045 | -0.008 | 40.503 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 354 | ALA | 0 | 0.064 | 0.018 | 35.244 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 355 | THR | 0 | 0.015 | 0.005 | 34.693 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 356 | ILE | 0 | -0.045 | -0.011 | 27.529 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 357 | THR | 0 | -0.021 | -0.022 | 29.351 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 358 | LEU | 0 | 0.057 | 0.024 | 29.174 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 359 | GLN | 0 | -0.005 | -0.014 | 26.189 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 360 | ASN | 0 | -0.025 | -0.041 | 24.803 | 0.984 | 0.984 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 361 | TYR | 0 | 0.005 | 0.025 | 25.389 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 362 | PHE | 0 | 0.021 | -0.019 | 23.664 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 363 | ARG | 1 | 0.764 | 0.838 | 20.588 | -12.221 | -12.221 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 364 | LEU | 0 | -0.088 | -0.020 | 19.945 | 0.471 | 0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 365 | TYR | 0 | -0.031 | -0.030 | 19.776 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 366 | ASP | -1 | -0.891 | -0.929 | 15.219 | 15.491 | 15.491 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 367 | LYS | 1 | 0.793 | 0.882 | 14.063 | -15.966 | -15.966 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 368 | LEU | 0 | 0.009 | 0.011 | 16.356 | -0.959 | -0.959 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 369 | ALA | 0 | 0.010 | 0.007 | 18.219 | 0.785 | 0.785 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 370 | GLY | 0 | 0.032 | 0.006 | 20.728 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 371 | MET | 0 | -0.085 | -0.020 | 24.293 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 372 | THR | 0 | 0.017 | -0.021 | 27.139 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 373 | GLY | 0 | 0.054 | 0.044 | 29.565 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 374 | THR | 0 | -0.116 | -0.072 | 30.871 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 375 | ALA | 0 | 0.083 | 0.030 | 26.114 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 376 | GLN | 0 | -0.059 | -0.043 | 23.608 | 0.450 | 0.450 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 377 | THR | 0 | -0.087 | -0.074 | 27.011 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 378 | GLU | -1 | -0.743 | -0.844 | 27.248 | 9.919 | 9.919 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 379 | ALA | 0 | 0.002 | 0.011 | 22.965 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 380 | ALA | 0 | -0.059 | -0.034 | 22.569 | 0.658 | 0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 381 | GLU | -1 | -0.779 | -0.884 | 23.266 | 11.114 | 11.114 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 382 | LEU | 0 | 0.014 | 0.004 | 22.499 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 383 | HIS | 0 | 0.026 | 0.027 | 15.830 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 384 | GLU | -1 | -0.906 | -0.960 | 19.128 | 15.637 | 15.637 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 385 | ILE | 0 | -0.039 | -0.018 | 20.979 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 386 | TYR | 0 | -0.004 | -0.027 | 20.767 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 387 | LYS | 1 | 0.781 | 0.898 | 15.384 | -16.161 | -16.161 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 388 | LEU | 0 | 0.031 | 0.036 | 16.221 | 0.815 | 0.815 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 389 | GLY | 0 | 0.025 | 0.017 | 17.241 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 390 | VAL | 0 | -0.018 | -0.021 | 18.193 | -0.682 | -0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 391 | VAL | 0 | -0.006 | -0.002 | 19.339 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 392 | SER | 0 | -0.031 | -0.030 | 22.057 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 393 | ILE | 0 | -0.066 | -0.017 | 22.933 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 394 | PRO | 0 | -0.054 | -0.022 | 26.329 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 395 | THR | 0 | -0.006 | -0.030 | 29.342 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 396 | ASN | 0 | -0.068 | -0.041 | 32.646 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 397 | MET | 0 | 0.008 | 0.025 | 33.789 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 398 | PRO | 0 | -0.027 | -0.007 | 36.425 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 399 | MET | 0 | -0.008 | 0.020 | 36.993 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 400 | ILE | 0 | -0.010 | -0.013 | 38.958 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 401 | ARG | 1 | 0.785 | 0.841 | 38.866 | -8.074 | -8.074 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 402 | GLU | -1 | -0.885 | -0.947 | 43.260 | 7.043 | 7.043 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 403 | ASP | -1 | -0.825 | -0.839 | 41.090 | 7.630 | 7.630 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 404 | GLN | 0 | -0.019 | -0.011 | 44.608 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 405 | SER | 0 | 0.004 | -0.003 | 47.156 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 406 | ASP | -1 | -0.770 | -0.880 | 46.390 | 6.981 | 6.981 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 407 | LEU | 0 | 0.007 | 0.023 | 49.170 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 408 | ILE | 0 | -0.036 | -0.020 | 50.597 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 409 | TYR | 0 | 0.036 | 0.020 | 54.235 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 410 | LYS | 1 | 0.788 | 0.886 | 57.253 | -4.942 | -4.942 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 411 | THR | 0 | 0.008 | -0.017 | 59.531 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 412 | GLU | -1 | -0.784 | -0.874 | 56.959 | 5.655 | 5.655 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 413 | GLU | -1 | -0.938 | -0.966 | 59.122 | 4.945 | 4.945 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 414 | ALA | 0 | 0.011 | 0.008 | 61.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 415 | LYS | 1 | 0.791 | 0.893 | 53.420 | -5.955 | -5.955 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 416 | TYR | 0 | -0.053 | -0.051 | 54.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 417 | ILE | 0 | -0.011 | -0.005 | 59.012 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 418 | ALA | 0 | 0.032 | 0.031 | 58.740 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 419 | VAL | 0 | -0.012 | -0.001 | 55.039 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 420 | VAL | 0 | -0.033 | -0.030 | 57.532 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 421 | ASP | -1 | -0.818 | -0.878 | 60.476 | 4.983 | 4.983 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 422 | ASP | -1 | -0.736 | -0.800 | 55.182 | 5.847 | 5.847 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 423 | VAL | 0 | 0.016 | 0.000 | 55.534 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 424 | ALA | 0 | -0.039 | -0.022 | 58.035 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 425 | GLU | -1 | -0.888 | -0.937 | 60.563 | 5.197 | 5.197 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 426 | ARG | 1 | 0.730 | 0.817 | 52.964 | -6.030 | -6.030 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 427 | TYR | 0 | 0.011 | 0.007 | 58.337 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 428 | ALA | 0 | -0.047 | -0.022 | 59.814 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 429 | LYS | 1 | 0.813 | 0.900 | 59.161 | -5.430 | -5.430 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 430 | GLY | 0 | 0.001 | 0.009 | 59.012 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 431 | GLN | 0 | 0.043 | 0.031 | 51.766 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 432 | PRO | 0 | -0.032 | 0.005 | 51.117 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 433 | VAL | 0 | 0.002 | -0.015 | 51.459 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 434 | LEU | 0 | -0.011 | 0.004 | 46.271 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 435 | ILE | 0 | -0.008 | -0.015 | 49.308 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 436 | GLY | 0 | 0.020 | 0.016 | 47.426 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 437 | THR | 0 | -0.013 | -0.018 | 48.408 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 438 | THR | 0 | 0.006 | -0.001 | 46.706 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 439 | SER | 0 | 0.012 | 0.008 | 48.621 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 440 | VAL | 0 | 0.078 | 0.039 | 51.148 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 441 | GLU | -1 | -0.859 | -0.917 | 53.313 | 5.607 | 5.607 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 442 | ARG | 1 | 0.831 | 0.898 | 53.680 | -5.773 | -5.773 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 443 | SER | 0 | 0.049 | 0.030 | 52.232 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 444 | GLU | -1 | -0.775 | -0.900 | 55.012 | 5.590 | 5.590 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 445 | TYR | 0 | -0.094 | -0.028 | 58.389 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 446 | LEU | 0 | 0.050 | 0.025 | 55.167 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 447 | SER | 0 | 0.015 | 0.037 | 57.910 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 448 | ARG | 1 | 0.889 | 0.921 | 59.511 | -5.229 | -5.229 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 449 | GLN | 0 | 0.014 | 0.006 | 61.878 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 450 | PHE | 0 | 0.043 | 0.009 | 56.208 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 451 | THR | 0 | 0.010 | 0.006 | 62.208 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 452 | LYS | 1 | 0.866 | 0.938 | 64.849 | -4.718 | -4.718 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 453 | ARG | 1 | 0.807 | 0.877 | 64.500 | -5.063 | -5.063 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 454 | ARG | 1 | 0.891 | 0.950 | 66.559 | -4.579 | -4.579 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 455 | ILE | 0 | 0.051 | 0.046 | 60.101 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 456 | PRO | 0 | -0.015 | 0.019 | 61.424 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 457 | HIS | 1 | 0.819 | 0.882 | 57.182 | -5.299 | -5.299 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 458 | ASN | 0 | 0.021 | 0.013 | 54.231 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 459 | VAL | 0 | -0.027 | -0.026 | 53.709 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 460 | LEU | 0 | -0.018 | 0.020 | 48.070 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 461 | ASN | 0 | -0.011 | -0.047 | 49.993 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 462 | ALA | 0 | -0.021 | -0.010 | 44.925 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 463 | LYS | 1 | 0.876 | 0.941 | 46.251 | -6.222 | -6.222 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 464 | TYR | 0 | -0.009 | -0.019 | 48.554 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 465 | HIS | 0 | 0.057 | 0.013 | 43.592 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 466 | GLU | -1 | -0.851 | -0.901 | 45.733 | 6.627 | 6.627 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 467 | GLN | 0 | 0.023 | 0.015 | 46.793 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 468 | GLU | -1 | -0.774 | -0.898 | 47.360 | 6.440 | 6.440 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 469 | ALA | 0 | 0.004 | 0.005 | 44.344 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 470 | THR | 0 | 0.019 | -0.002 | 46.088 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 471 | ILE | 0 | -0.036 | -0.012 | 49.122 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 472 | ILE | 0 | -0.035 | -0.023 | 44.260 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 473 | ALA | 0 | 0.002 | 0.007 | 46.824 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 474 | VAL | 0 | 0.000 | -0.005 | 47.827 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 475 | ALA | 0 | -0.045 | -0.014 | 48.930 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 476 | GLY | 0 | 0.022 | 0.010 | 49.220 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 477 | ARG | 1 | 0.898 | 0.952 | 50.165 | -5.866 | -5.866 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 478 | ARG | 1 | 0.804 | 0.846 | 53.623 | -5.440 | -5.440 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 479 | GLY | 0 | -0.039 | -0.019 | 56.414 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 480 | GLY | 0 | -0.019 | 0.009 | 54.084 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 481 | VAL | 0 | 0.022 | 0.007 | 54.563 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 482 | THR | 0 | -0.008 | -0.009 | 50.183 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 483 | VAL | 0 | -0.012 | 0.004 | 51.459 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 484 | ALA | 0 | 0.031 | 0.006 | 47.217 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 485 | THR | 0 | -0.038 | -0.003 | 48.237 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 486 | ASN | 0 | -0.065 | -0.061 | 43.979 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 487 | MET | 0 | 0.002 | 0.002 | 39.067 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 488 | ALA | 0 | -0.021 | 0.008 | 42.460 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 489 | GLY | 0 | 0.054 | 0.020 | 43.934 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 490 | ARG | 1 | 0.855 | 0.916 | 35.847 | -8.527 | -8.527 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 491 | GLY | 0 | 0.076 | 0.041 | 37.120 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 492 | THR | 0 | -0.003 | 0.011 | 38.053 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 493 | ASP | -1 | -0.826 | -0.904 | 38.720 | 8.080 | 8.080 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 494 | ILE | 0 | 0.023 | 0.022 | 41.648 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 495 | VAL | 0 | -0.019 | -0.013 | 43.272 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 496 | LEU | 0 | 0.006 | 0.011 | 45.802 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 497 | GLY | 0 | 0.026 | 0.009 | 48.619 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 498 | GLY | 0 | -0.039 | -0.008 | 49.691 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 499 | ASN | 0 | -0.065 | -0.043 | 42.405 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 500 | VAL | 0 | 0.064 | 0.019 | 46.418 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 501 | ASP | -1 | -0.775 | -0.868 | 41.535 | 7.331 | 7.331 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 502 | PHE | 0 | -0.013 | -0.019 | 43.721 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 503 | LEU | 0 | -0.011 | -0.022 | 45.234 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 504 | THR | 0 | -0.012 | 0.000 | 46.282 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 505 | ASP | -1 | -0.749 | -0.835 | 44.497 | 6.835 | 6.835 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 506 | GLN | 0 | -0.087 | -0.043 | 46.615 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 507 | ARG | 1 | 0.795 | 0.860 | 49.494 | -5.910 | -5.910 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 508 | LEU | 0 | -0.058 | -0.017 | 47.056 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 509 | ARG | 1 | 0.815 | 0.885 | 42.863 | -6.979 | -6.979 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 510 | GLU | -1 | -0.947 | -0.966 | 50.534 | 5.669 | 5.669 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 511 | ARG | 1 | 0.755 | 0.863 | 53.409 | -5.911 | -5.911 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 512 | GLY | 0 | -0.023 | -0.008 | 52.871 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 513 | LEU | 0 | -0.041 | -0.006 | 49.353 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 514 | ASP | -1 | -0.772 | -0.917 | 44.785 | 6.841 | 6.841 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 515 | PRO | 0 | -0.040 | -0.022 | 41.252 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 516 | VAL | 0 | -0.077 | -0.033 | 40.053 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 517 | GLU | -1 | -0.897 | -0.951 | 42.652 | 6.603 | 6.603 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 518 | THR | 0 | -0.021 | 0.002 | 46.271 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 519 | PRO | 0 | 0.015 | 0.013 | 42.370 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 520 | GLU | -1 | -0.937 | -0.964 | 44.479 | 6.538 | 6.538 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 521 | GLU | -1 | -0.879 | -0.962 | 46.354 | 6.137 | 6.137 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 522 | TYR | 0 | -0.064 | -0.061 | 43.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 523 | GLU | -1 | -0.755 | -0.871 | 41.758 | 7.400 | 7.400 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 524 | ALA | 0 | -0.037 | -0.016 | 45.204 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 525 | ALA | 0 | -0.007 | 0.004 | 48.585 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 526 | TRP | 0 | 0.005 | 0.001 | 42.149 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 527 | HIS | 1 | 0.772 | 0.851 | 41.984 | -7.200 | -7.200 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 528 | SER | 0 | -0.093 | -0.039 | 47.117 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 529 | GLU | -1 | -0.785 | -0.875 | 49.744 | 5.772 | 5.772 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 530 | LEU | 0 | 0.018 | 0.010 | 43.743 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 531 | PRO | 0 | -0.017 | -0.020 | 48.276 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 532 | ILE | 0 | -0.013 | 0.007 | 50.158 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 533 | VAL | 0 | 0.024 | 0.008 | 49.718 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 534 | LYS | 1 | 0.885 | 0.928 | 43.243 | -7.121 | -7.121 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 535 | GLU | -1 | -0.940 | -0.947 | 49.966 | 5.886 | 5.886 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 536 | GLU | -1 | -0.900 | -0.928 | 53.513 | 5.620 | 5.620 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 537 | ALA | 0 | -0.005 | 0.015 | 50.788 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 538 | SER | 0 | 0.010 | -0.012 | 50.673 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 539 | LYS | 1 | 0.818 | 0.891 | 52.291 | -5.478 | -5.478 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 540 | GLU | -1 | -0.826 | -0.909 | 54.636 | 5.602 | 5.602 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 541 | ALA | 0 | 0.044 | 0.018 | 49.784 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 542 | LYS | 1 | 0.831 | 0.931 | 50.880 | -6.121 | -6.121 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 543 | GLU | -1 | -0.696 | -0.812 | 53.545 | 5.437 | 5.437 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 544 | VAL | 0 | -0.003 | 0.004 | 50.873 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 545 | ILE | 0 | -0.024 | -0.006 | 48.030 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 546 | GLU | -1 | -0.929 | -0.976 | 51.536 | 5.941 | 5.941 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 547 | ALA | 0 | -0.079 | -0.029 | 54.792 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 548 | GLY | 0 | -0.006 | -0.003 | 51.976 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 549 | GLY | 0 | 0.014 | 0.009 | 48.865 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 550 | LEU | 0 | -0.056 | -0.027 | 45.485 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 551 | TYR | 0 | -0.020 | -0.020 | 47.895 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 552 | VAL | 0 | -0.049 | -0.028 | 44.622 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 553 | LEU | 0 | 0.022 | 0.014 | 47.929 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 554 | GLY | 0 | 0.031 | 0.012 | 47.622 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 555 | THR | 0 | -0.016 | -0.018 | 48.502 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 556 | GLU | -1 | -0.761 | -0.882 | 49.475 | 6.026 | 6.026 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 557 | ARG | 1 | 0.770 | 0.886 | 43.531 | -7.133 | -7.133 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 558 | HIS | 1 | 0.844 | 0.908 | 42.148 | -7.253 | -7.253 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 559 | GLU | -1 | -0.759 | -0.877 | 40.641 | 7.450 | 7.450 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 560 | SER | 0 | 0.044 | 0.019 | 36.651 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 561 | ARG | 1 | 0.870 | 0.926 | 37.875 | -7.995 | -7.995 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 562 | ARG | 1 | 0.710 | 0.823 | 32.240 | -9.561 | -9.561 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 563 | ILE | 0 | 0.049 | 0.026 | 36.215 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 564 | ASP | -1 | -0.742 | -0.870 | 38.829 | 7.334 | 7.334 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 565 | ASN | 0 | 0.019 | 0.003 | 35.912 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 566 | GLN | 0 | 0.005 | 0.003 | 33.934 | -0.245 | -0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 567 | LEU | 0 | 0.007 | 0.011 | 38.296 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 568 | ARG | 1 | 0.781 | 0.882 | 40.956 | -7.351 | -7.351 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 569 | GLY | 0 | 0.009 | 0.003 | 38.542 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 570 | ARG | 1 | 0.825 | 0.914 | 39.524 | -7.347 | -7.347 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 571 | SER | 0 | -0.018 | -0.017 | 42.065 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 572 | GLY | 0 | 0.047 | 0.030 | 41.367 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 573 | ARG | 1 | 0.855 | 0.930 | 39.002 | -7.557 | -7.557 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 574 | GLN | 0 | -0.010 | -0.012 | 35.265 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 575 | GLY | 0 | -0.005 | 0.008 | 39.106 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 576 | ASP | -1 | -0.895 | -0.954 | 41.217 | 7.069 | 7.069 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 577 | PRO | 0 | -0.039 | -0.021 | 44.026 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 578 | GLY | 0 | 0.059 | 0.018 | 46.318 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 579 | GLU | -1 | -0.832 | -0.867 | 47.084 | 6.272 | 6.272 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 580 | SER | 0 | -0.068 | -0.079 | 44.140 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 581 | ARG | 1 | 0.882 | 0.944 | 46.871 | -6.310 | -6.310 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 582 | PHE | 0 | -0.045 | -0.018 | 44.264 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 583 | TYR | 0 | -0.020 | -0.032 | 49.101 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 584 | LEU | 0 | -0.028 | -0.012 | 48.031 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 585 | SER | 0 | -0.008 | -0.037 | 52.392 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 586 | LEU | 0 | -0.040 | -0.016 | 53.833 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 587 | GLY | 0 | 0.023 | 0.007 | 55.696 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 588 | ASP | -1 | -0.756 | -0.851 | 51.578 | 6.101 | 6.101 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 589 | GLU | -1 | -0.913 | -0.948 | 49.399 | 6.470 | 6.470 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 590 | LEU | 0 | 0.050 | 0.020 | 45.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 591 | MET | 0 | -0.016 | -0.001 | 49.221 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 592 | ARG | 1 | 0.837 | 0.889 | 51.775 | -5.759 | -5.759 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 593 | ARG | 1 | 0.778 | 0.894 | 44.798 | -6.954 | -6.954 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 594 | PHE | 0 | -0.003 | 0.007 | 45.436 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 595 | ASN | 0 | 0.022 | -0.004 | 51.414 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 596 | GLY | 0 | 0.026 | 0.021 | 53.942 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 597 | ALA | 0 | 0.083 | 0.033 | 55.355 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 598 | ALA | 0 | -0.007 | 0.012 | 57.533 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 599 | LEU | 0 | -0.031 | -0.017 | 53.894 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 600 | GLU | -1 | -0.759 | -0.860 | 58.338 | 5.096 | 5.096 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 601 | THR | 0 | 0.004 | -0.009 | 60.942 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 602 | LEU | 0 | -0.087 | -0.032 | 59.370 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 603 | LEU | 0 | 0.033 | -0.003 | 58.722 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 604 | THR | 0 | 0.023 | -0.008 | 62.798 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 605 | ARG | 1 | 0.856 | 0.920 | 63.783 | -5.091 | -5.091 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 606 | LEU | 0 | -0.075 | -0.026 | 62.384 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 607 | ASN | 0 | -0.055 | -0.027 | 66.469 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 608 | LEU | 0 | -0.003 | 0.010 | 60.966 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 609 | PRO | 0 | 0.025 | 0.005 | 65.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 610 | ASP | -1 | -0.814 | -0.901 | 63.380 | 5.090 | 5.090 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 611 | ASP | -1 | -0.887 | -0.956 | 61.864 | 5.083 | 5.083 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 612 | VAL | 0 | -0.012 | -0.002 | 61.277 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 613 | PRO | 0 | -0.017 | -0.006 | 56.441 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 614 | ILE | 0 | -0.012 | -0.013 | 55.719 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 615 | GLU | -1 | -0.909 | -0.945 | 52.474 | 6.385 | 6.385 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 616 | ALA | 0 | -0.015 | -0.012 | 54.073 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 617 | LYS | 1 | 0.967 | 0.969 | 48.522 | -6.572 | -6.572 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 618 | MET | 0 | -0.039 | -0.013 | 49.976 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 619 | VAL | 0 | 0.098 | 0.041 | 51.204 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 620 | THR | 0 | 0.032 | 0.014 | 46.995 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 621 | ARG | 1 | 0.919 | 0.962 | 46.244 | -6.545 | -6.545 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 622 | ALA | 0 | 0.009 | 0.008 | 46.576 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 623 | ILE | 0 | 0.048 | 0.019 | 46.554 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 624 | LYS | 1 | 0.837 | 0.919 | 38.297 | -8.156 | -8.156 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 625 | SER | 0 | -0.002 | 0.016 | 42.842 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 626 | ALA | 0 | 0.022 | 0.026 | 43.915 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 627 | GLN | 0 | -0.031 | -0.023 | 41.026 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 628 | THR | 0 | -0.026 | -0.034 | 38.034 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 629 | GLN | 0 | -0.038 | -0.017 | 39.424 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 630 | VAL | 0 | 0.017 | 0.024 | 41.036 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 631 | GLU | -1 | -0.773 | -0.893 | 36.458 | 8.580 | 8.580 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 632 | GLN | 0 | -0.001 | -0.006 | 34.606 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 633 | GLN | 0 | -0.018 | -0.009 | 37.041 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 634 | ASN | 0 | -0.011 | -0.002 | 36.777 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 635 | PHE | 0 | 0.021 | 0.022 | 29.220 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 636 | GLU | -1 | -0.839 | -0.921 | 33.438 | 9.632 | 9.632 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 637 | VAL | 0 | -0.004 | 0.013 | 35.730 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 638 | ARG | 1 | 0.819 | 0.900 | 30.452 | -9.892 | -9.892 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 639 | LYS | 1 | 0.803 | 0.896 | 30.190 | -9.763 | -9.763 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 640 | ASN | 0 | -0.046 | -0.054 | 32.070 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 641 | VAL | 0 | 0.031 | 0.022 | 33.216 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 642 | LEU | 0 | -0.008 | 0.004 | 26.278 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 643 | LYS | 1 | 0.886 | 0.945 | 30.536 | -9.156 | -9.156 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 644 | TYR | 0 | 0.014 | -0.001 | 31.583 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 645 | ASP | -1 | -0.727 | -0.797 | 29.856 | 9.854 | 9.854 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 646 | GLU | -1 | -0.784 | -0.879 | 25.621 | 11.963 | 11.963 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 647 | VAL | 0 | -0.036 | -0.007 | 28.771 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 648 | MET | 0 | 0.090 | 0.051 | 31.220 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 649 | ASN | 0 | -0.019 | 0.003 | 25.026 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 650 | GLN | 0 | -0.006 | 0.010 | 23.489 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 651 | GLN | 0 | 0.005 | 0.011 | 27.780 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 652 | ARG | 1 | 0.853 | 0.901 | 28.485 | -9.896 | -9.896 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 653 | LYS | 1 | 0.798 | 0.888 | 22.830 | -11.816 | -11.816 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 654 | VAL | 0 | 0.012 | 0.017 | 27.691 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 655 | ILE | 0 | 0.062 | 0.033 | 29.351 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 656 | TYR | 0 | -0.016 | -0.019 | 29.057 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 657 | ALA | 0 | -0.032 | -0.010 | 27.017 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 658 | GLU | -1 | -0.814 | -0.880 | 28.865 | 9.120 | 9.120 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 659 | ARG | 1 | 0.783 | 0.866 | 32.162 | -8.241 | -8.241 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 660 | ARG | 1 | 0.840 | 0.917 | 25.475 | -10.442 | -10.442 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 661 | ARG | 1 | 0.803 | 0.859 | 28.841 | -9.418 | -9.418 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 662 | ILE | 0 | -0.038 | -0.011 | 31.638 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 663 | LEU | 0 | -0.054 | -0.013 | 33.782 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 664 | GLU | -1 | -0.974 | -0.999 | 28.631 | 9.769 | 9.769 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 665 | GLY | 0 | -0.018 | 0.006 | 33.124 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 666 | GLU | -1 | -0.860 | -0.914 | 30.418 | 9.253 | 9.253 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 667 | ASN | 0 | -0.051 | -0.039 | 34.152 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 668 | LEU | 0 | 0.035 | 0.002 | 34.603 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 669 | LYS | 1 | 0.860 | 0.955 | 37.111 | -6.906 | -6.906 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 670 | ASP | -1 | -0.882 | -0.954 | 35.372 | 8.012 | 8.012 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 671 | GLN | 0 | 0.014 | 0.015 | 32.347 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 672 | ALA | 0 | 0.017 | 0.014 | 36.443 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 673 | LEU | 0 | 0.010 | 0.004 | 40.170 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 674 | ASP | -1 | -0.856 | -0.908 | 36.571 | 8.092 | 8.092 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 675 | MET | 0 | -0.011 | -0.002 | 36.844 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 676 | VAL | 0 | -0.002 | 0.002 | 40.417 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 677 | ARG | 1 | 0.804 | 0.885 | 38.134 | -7.900 | -7.900 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 678 | ASP | -1 | -0.852 | -0.896 | 39.029 | 7.788 | 7.788 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 679 | VAL | 0 | 0.037 | 0.019 | 41.453 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 680 | ILE | 0 | 0.012 | 0.010 | 44.434 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 681 | THR | 0 | -0.054 | -0.058 | 42.381 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 682 | ALA | 0 | -0.003 | 0.001 | 43.525 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 683 | TYR | 0 | -0.086 | -0.074 | 45.379 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 684 | VAL | 0 | -0.012 | -0.006 | 48.423 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 685 | ASP | -1 | -0.943 | -0.968 | 45.786 | 6.792 | 6.792 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 686 | GLY | 0 | 0.001 | 0.004 | 48.058 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 687 | ALA | 0 | -0.068 | -0.046 | 49.974 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 688 | THR | 0 | -0.069 | -0.028 | 51.283 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 689 | GLY | 0 | 0.066 | 0.045 | 50.084 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 690 | GLU | -1 | -0.984 | -1.003 | 50.975 | 6.055 | 6.055 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 691 | GLY | 0 | 0.072 | 0.047 | 53.693 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 692 | TYR | 0 | -0.196 | -0.114 | 51.723 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 693 | ALA | 0 | 0.005 | 0.011 | 56.264 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 694 | GLU | -1 | -0.934 | -0.979 | 59.165 | 5.088 | 5.088 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 695 | ASP | -1 | -0.979 | -0.984 | 59.603 | 5.231 | 5.231 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 696 | TRP | 0 | -0.053 | -0.022 | 53.851 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 697 | ASP | -1 | -0.835 | -0.913 | 58.116 | 5.184 | 5.184 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 698 | LEU | 0 | 0.011 | -0.012 | 57.693 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 699 | ASP | -1 | -0.896 | -0.934 | 58.811 | 5.019 | 5.019 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 700 | ALA | 0 | 0.008 | 0.011 | 58.438 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 701 | LEU | 0 | -0.024 | 0.008 | 52.238 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 702 | TRP | 0 | 0.015 | -0.013 | 55.101 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 703 | THR | 0 | -0.051 | -0.033 | 57.069 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 704 | ALA | 0 | 0.008 | 0.005 | 53.538 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 705 | LEU | 0 | -0.004 | 0.005 | 50.496 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 706 | LYS | 1 | 0.818 | 0.889 | 53.436 | -5.063 | -5.063 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 707 | THR | 0 | -0.095 | -0.046 | 53.713 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 708 | LEU | 0 | -0.038 | -0.009 | 48.351 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 709 | TYR | 0 | -0.009 | -0.035 | 50.793 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 710 | PRO | 0 | 0.001 | 0.005 | 52.896 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 711 | VAL | 0 | -0.037 | -0.017 | 54.180 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 712 | GLY | 0 | -0.030 | -0.020 | 55.699 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 713 | ILE | 0 | -0.082 | -0.049 | 54.472 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 714 | THR | 0 | -0.050 | -0.023 | 58.385 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 715 | ALA | 0 | 0.098 | 0.051 | 59.252 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 716 | ASP | -1 | -0.852 | -0.914 | 60.289 | 4.875 | 4.875 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 717 | SER | 0 | -0.122 | -0.061 | 59.983 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 718 | LEU | 0 | -0.022 | -0.008 | 55.386 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 719 | THR | 0 | -0.104 | -0.054 | 59.129 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 732 | ARG | 1 | 0.834 | 0.897 | 51.697 | -6.027 | -6.027 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 733 | GLU | -1 | -0.801 | -0.897 | 48.230 | 6.193 | 6.193 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 734 | GLU | -1 | -0.869 | -0.942 | 49.217 | 6.233 | 6.233 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 735 | LEU | 0 | 0.025 | 0.012 | 51.186 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 736 | LEU | 0 | 0.038 | 0.023 | 44.941 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 737 | GLU | -1 | -0.856 | -0.916 | 46.012 | 6.535 | 6.535 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 738 | ALA | 0 | -0.019 | -0.020 | 48.191 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 739 | LEU | 0 | 0.028 | 0.018 | 50.528 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 740 | LEU | 0 | -0.002 | 0.008 | 43.920 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 741 | LYS | 1 | 0.821 | 0.904 | 47.576 | -6.243 | -6.243 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 742 | ASP | -1 | -0.750 | -0.839 | 49.139 | 5.637 | 5.637 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 743 | ALA | 0 | 0.038 | 0.020 | 48.083 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 744 | GLU | -1 | -0.919 | -0.960 | 44.169 | 6.916 | 6.916 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 745 | ARG | 1 | 0.803 | 0.882 | 47.711 | -5.708 | -5.708 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 746 | ALA | 0 | -0.035 | -0.019 | 51.053 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 747 | TYR | 0 | 0.027 | -0.025 | 43.497 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 748 | ALA | 0 | -0.030 | -0.016 | 48.743 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 749 | ALA | 0 | -0.047 | -0.021 | 49.560 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 750 | ARG | 1 | 0.830 | 0.899 | 50.142 | -5.934 | -5.934 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 751 | GLU | -1 | -0.786 | -0.885 | 45.091 | 6.740 | 6.740 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 752 | ALA | 0 | -0.018 | -0.019 | 49.292 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 753 | GLU | -1 | -0.873 | -0.918 | 52.312 | 5.536 | 5.536 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 754 | LEU | 0 | 0.027 | 0.001 | 49.013 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 755 | GLU | -1 | -0.890 | -0.949 | 48.121 | 6.244 | 6.244 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 756 | GLU | -1 | -0.967 | -0.978 | 51.770 | 5.179 | 5.179 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 757 | ILE | 0 | -0.086 | -0.037 | 54.132 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 758 | ALA | 0 | -0.087 | -0.049 | 51.286 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 759 | GLY | 0 | -0.016 | 0.012 | 51.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 760 | GLU | -1 | -1.019 | -1.021 | 46.833 | 6.296 | 6.296 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 761 | GLY | 0 | 0.001 | -0.001 | 44.819 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 762 | ALA | 0 | 0.001 | 0.011 | 44.785 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 763 | MET | 0 | 0.015 | 0.023 | 45.193 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 764 | ARG | 1 | 0.759 | 0.860 | 40.014 | -6.936 | -6.936 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 765 | GLN | 0 | -0.022 | -0.011 | 41.420 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 766 | LEU | 0 | 0.026 | 0.016 | 43.668 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 767 | GLU | -1 | -0.744 | -0.852 | 40.780 | 7.179 | 7.179 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 768 | ARG | 1 | 0.833 | 0.907 | 37.609 | -7.471 | -7.471 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 769 | ASN | 0 | 0.023 | 0.012 | 40.500 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 770 | VAL | 0 | 0.001 | 0.014 | 43.494 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 771 | LEU | 0 | 0.027 | 0.015 | 37.784 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 772 | LEU | 0 | 0.004 | 0.002 | 37.753 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 773 | ASN | 0 | -0.064 | -0.044 | 40.274 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 774 | VAL | 0 | 0.026 | 0.025 | 42.243 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 775 | ILE | 0 | 0.003 | -0.012 | 36.175 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 776 | ASP | -1 | -0.849 | -0.902 | 39.605 | 7.495 | 7.495 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 777 | ARG | 1 | 0.733 | 0.839 | 40.655 | -6.526 | -6.526 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 778 | LYS | 1 | 0.813 | 0.908 | 40.993 | -6.793 | -6.793 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 779 | TRP | 0 | 0.025 | 0.000 | 34.235 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 780 | ARG | 1 | 0.861 | 0.927 | 39.547 | -6.816 | -6.816 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 781 | GLU | -1 | -0.730 | -0.856 | 42.413 | 6.508 | 6.508 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 782 | HIS | 0 | -0.017 | -0.022 | 36.877 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 783 | LEU | 0 | -0.051 | -0.029 | 37.185 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 784 | TYR | 0 | 0.009 | 0.030 | 40.945 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 785 | GLU | -1 | -0.760 | -0.863 | 43.706 | 6.440 | 6.440 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 786 | MET | 0 | -0.041 | -0.012 | 36.995 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 787 | ASP | -1 | -0.802 | -0.861 | 41.325 | 7.393 | 7.393 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 788 | TYR | 0 | -0.028 | -0.019 | 42.874 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 789 | LEU | 0 | -0.028 | -0.007 | 40.290 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 790 | LYS | 1 | 0.819 | 0.882 | 38.286 | -7.607 | -7.607 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 791 | GLU | -1 | -0.888 | -0.914 | 41.265 | 7.225 | 7.225 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 792 | GLY | 0 | 0.009 | -0.001 | 44.470 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 793 | ILE | 0 | -0.041 | -0.016 | 40.529 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 794 | GLY | 0 | 0.009 | 0.010 | 43.893 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 795 | LEU | 0 | -0.028 | -0.025 | 44.751 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 796 | ARG | 1 | 0.741 | 0.830 | 43.860 | -7.261 | -7.261 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 797 | ALA | 0 | 0.007 | 0.006 | 44.147 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 798 | MET | 0 | 0.011 | 0.012 | 45.135 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 799 | ALA | 0 | -0.016 | -0.017 | 45.448 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 800 | GLN | 0 | -0.048 | -0.027 | 41.550 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 801 | ARG | 1 | 0.857 | 0.915 | 41.221 | -7.656 | -7.656 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 802 | ASP | -1 | -0.848 | -0.913 | 35.618 | 8.996 | 8.996 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 803 | PRO | 0 | 0.015 | 0.010 | 39.023 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 804 | LEU | 0 | 0.002 | 0.010 | 31.961 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 805 | VAL | 0 | 0.029 | 0.013 | 34.959 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 806 | GLU | -1 | -0.833 | -0.894 | 36.736 | 7.397 | 7.397 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 807 | TYR | 0 | 0.009 | -0.014 | 34.718 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 808 | GLN | 0 | -0.032 | -0.023 | 30.685 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 809 | ARG | 1 | 0.785 | 0.879 | 35.489 | -7.558 | -7.558 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 810 | GLU | -1 | -0.709 | -0.800 | 37.859 | 7.167 | 7.167 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 811 | GLY | 0 | 0.081 | 0.026 | 37.263 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 812 | TYR | 0 | -0.082 | -0.055 | 30.299 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 813 | ASP | -1 | -0.894 | -0.947 | 35.937 | 7.927 | 7.927 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 814 | MET | 0 | -0.010 | -0.007 | 39.224 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 815 | PHE | 0 | -0.007 | 0.002 | 32.267 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 816 | MET | 0 | -0.014 | -0.013 | 32.261 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 817 | ALA | 0 | 0.077 | 0.048 | 37.540 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 818 | MET | 0 | -0.064 | -0.016 | 36.502 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 819 | LEU | 0 | 0.003 | -0.018 | 33.728 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 820 | ASP | -1 | -0.865 | -0.922 | 38.292 | 7.750 | 7.750 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 821 | GLY | 0 | 0.048 | 0.019 | 40.840 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 822 | MET | 0 | -0.066 | -0.018 | 35.887 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 823 | LYS | 1 | 0.821 | 0.905 | 37.409 | -8.000 | -8.000 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 824 | GLU | -1 | -0.865 | -0.909 | 41.409 | 6.383 | 6.383 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 825 | GLU | -1 | -0.673 | -0.825 | 45.160 | 6.417 | 6.417 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 826 | SER | 0 | -0.036 | -0.025 | 41.892 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 827 | VAL | 0 | -0.008 | -0.011 | 43.541 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 828 | GLY | 0 | 0.066 | 0.041 | 45.824 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 829 | PHE | 0 | -0.023 | -0.025 | 46.906 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 830 | LEU | 0 | -0.038 | -0.018 | 42.655 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 831 | PHE | 0 | -0.018 | -0.013 | 47.294 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 832 | ASN | 0 | 0.028 | 0.008 | 50.391 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 833 | VAL | 0 | -0.095 | -0.015 | 49.442 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 834 | THR | 0 | -0.007 | -0.021 | 52.462 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 835 | VAL | 0 | -0.049 | -0.016 | 51.946 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |