FMODB ID: 4J7RN
Calculation Name: 3LN7-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3LN7
Chain ID: A
UniProt ID: Q9CM00
Base Structure: X-ray
Registration Date: 2023-09-24
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 | OptH |
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 | 755 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18406849.530705 |
---|---|
FMO2-HF: Nuclear repulsion | 18108352.646444 |
FMO2-HF: Total energy | -298496.88426 |
FMO2-MP2: Total energy | -299375.108021 |
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:2:LYS)
Summations of interaction energy for
fragment #1(A:2:LYS)
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. |
-344.319 | -339.433 | 29.678 | -16.39 | -18.172 | -0.164 |
Interaction energy analysis for fragmet #1(A:2:LYS)
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 | 4 | GLN | 0 | 0.076 | 0.006 | 3.323 | -7.103 | -3.589 | 0.018 | -1.867 | -1.665 | 0.004 |
4 | A | 5 | HIS | 1 | 0.884 | 0.966 | 5.569 | 29.306 | 29.306 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 6 | ILE | 0 | -0.009 | -0.006 | 4.468 | 2.712 | 2.868 | -0.001 | -0.006 | -0.149 | 0.000 |
6 | A | 7 | ILE | 0 | -0.019 | 0.007 | 4.926 | 0.968 | 0.968 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 8 | HIS | 0 | -0.005 | -0.009 | 7.856 | 1.946 | 1.946 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 9 | GLU | -1 | -0.901 | -0.941 | 9.140 | -28.367 | -28.367 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 10 | ASN | 0 | -0.063 | -0.034 | 11.475 | 1.983 | 1.983 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 11 | GLN | 0 | 0.017 | 0.009 | 13.467 | 0.500 | 0.500 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 12 | LEU | 0 | -0.045 | -0.022 | 10.447 | 1.195 | 1.195 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 13 | GLY | 0 | 0.063 | 0.027 | 14.099 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 14 | LEU | 0 | 0.006 | 0.013 | 15.933 | 0.436 | 0.436 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 15 | LEU | 0 | -0.018 | -0.049 | 14.615 | 0.407 | 0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 16 | PHE | 0 | 0.013 | 0.006 | 10.634 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 17 | GLN | 0 | 0.083 | 0.037 | 14.610 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 18 | GLN | 0 | -0.078 | -0.014 | 17.683 | 1.381 | 1.381 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 19 | GLY | 0 | 0.046 | 0.008 | 17.162 | -0.901 | -0.901 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 20 | SER | 0 | -0.087 | -0.035 | 19.031 | 0.769 | 0.769 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 21 | PHE | 0 | 0.008 | -0.007 | 20.212 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 22 | GLY | 0 | 0.027 | 0.002 | 23.028 | 0.415 | 0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 23 | LEU | 0 | -0.032 | -0.027 | 24.846 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 24 | GLU | -1 | -0.865 | -0.921 | 27.208 | -9.779 | -9.779 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 25 | LYS | 1 | 0.958 | 0.993 | 29.360 | 7.767 | 7.767 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 26 | GLU | -1 | -0.780 | -0.849 | 31.454 | -8.557 | -8.557 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 27 | SER | 0 | -0.020 | -0.012 | 34.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 28 | GLN | 0 | 0.056 | 0.018 | 37.799 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 29 | ARG | 1 | 0.793 | 0.901 | 41.166 | 6.421 | 6.421 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 30 | VAL | 0 | 0.015 | -0.011 | 44.255 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 31 | THR | 0 | 0.040 | 0.031 | 46.650 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 32 | ALA | 0 | 0.011 | 0.008 | 49.398 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 33 | ASP | -1 | -0.923 | -0.965 | 51.124 | -5.638 | -5.638 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 34 | GLY | 0 | 0.013 | -0.005 | 47.630 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 35 | ALA | 0 | -0.045 | -0.013 | 46.976 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 36 | ILE | 0 | -0.028 | -0.032 | 43.734 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 37 | VAL | 0 | -0.048 | 0.033 | 46.643 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 38 | THR | 0 | -0.084 | -0.045 | 47.756 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 39 | THR | 0 | 0.016 | -0.006 | 48.749 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 40 | PRO | 0 | -0.025 | -0.033 | 48.136 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 41 | HIS | 0 | 0.031 | 0.031 | 41.608 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 42 | PRO | 0 | -0.005 | -0.008 | 45.621 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 43 | ALA | 0 | -0.009 | -0.002 | 47.406 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 44 | VAL | 0 | -0.033 | -0.009 | 47.282 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 45 | PHE | 0 | -0.039 | -0.017 | 43.256 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 46 | GLY | 0 | 0.042 | 0.018 | 43.292 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 47 | ASN | 0 | -0.044 | -0.023 | 43.413 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 48 | ARG | 1 | 0.936 | 0.950 | 40.567 | 6.531 | 6.531 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 49 | ARG | 1 | 0.835 | 0.929 | 38.579 | 7.053 | 7.053 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 50 | TYR | 0 | -0.006 | -0.022 | 38.082 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 51 | HIS | 0 | -0.018 | 0.020 | 37.586 | -0.318 | -0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 52 | PRO | 0 | -0.028 | 0.003 | 34.161 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 53 | TYR | 0 | -0.006 | -0.007 | 33.561 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 54 | ILE | 0 | -0.018 | -0.025 | 35.964 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 55 | GLN | 0 | -0.019 | 0.000 | 36.178 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 56 | THR | 0 | -0.009 | 0.013 | 38.090 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 57 | ASP | -1 | -0.896 | -0.913 | 33.657 | -8.237 | -8.237 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 58 | PHE | 0 | 0.046 | 0.002 | 32.769 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 59 | ALA | 0 | -0.047 | -0.031 | 37.931 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 60 | GLU | -1 | -0.735 | -0.855 | 41.114 | -6.452 | -6.452 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 61 | SER | 0 | -0.018 | -0.040 | 43.411 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 62 | GLN | 0 | -0.072 | -0.030 | 35.677 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 63 | LEU | 0 | -0.011 | -0.022 | 38.997 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 64 | GLU | -1 | -0.900 | -0.970 | 32.173 | -8.721 | -8.721 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 65 | LEU | 0 | -0.060 | -0.018 | 34.697 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 66 | ILE | 0 | 0.017 | 0.017 | 29.749 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 67 | THR | 0 | -0.003 | -0.014 | 28.703 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 68 | PRO | 0 | -0.061 | -0.007 | 29.146 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 69 | PRO | 0 | -0.003 | -0.004 | 25.117 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 70 | THR | 0 | 0.027 | 0.000 | 26.041 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 71 | LYS | 1 | 0.912 | 0.952 | 20.397 | 13.113 | 13.113 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 72 | LYS | 1 | 0.895 | 0.945 | 23.234 | 11.856 | 11.856 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 73 | LEU | 0 | 0.078 | 0.040 | 22.716 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 74 | GLU | -1 | -0.858 | -0.943 | 26.155 | -9.545 | -9.545 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 75 | ASP | -1 | -0.868 | -0.927 | 29.211 | -9.176 | -9.176 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 76 | THR | 0 | -0.054 | -0.008 | 27.006 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 77 | PHE | 0 | 0.039 | 0.020 | 28.287 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 78 | ARG | 1 | 0.832 | 0.928 | 32.431 | 8.637 | 8.637 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 79 | TRP | 0 | 0.055 | 0.027 | 32.035 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 80 | LEU | 0 | 0.009 | 0.007 | 31.704 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 81 | SER | 0 | -0.055 | -0.055 | 34.504 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 82 | VAL | 0 | 0.029 | 0.009 | 37.564 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 83 | ILE | 0 | -0.012 | -0.013 | 34.517 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 84 | HIS | 0 | 0.007 | -0.023 | 37.764 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 85 | GLU | -1 | -0.834 | -0.907 | 39.536 | -6.722 | -6.722 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 86 | VAL | 0 | -0.002 | 0.000 | 41.703 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 87 | VAL | 0 | -0.030 | -0.020 | 40.100 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 88 | GLN | 0 | 0.013 | -0.016 | 42.605 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 89 | ARG | 1 | 0.815 | 0.915 | 45.177 | 6.535 | 6.535 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 90 | SER | 0 | -0.054 | -0.025 | 45.902 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 91 | LEU | 0 | -0.075 | -0.012 | 44.701 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 92 | PRO | 0 | 0.034 | 0.019 | 48.601 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 93 | GLU | -1 | -0.890 | -0.947 | 51.365 | -5.675 | -5.675 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 94 | GLU | -1 | -0.993 | -1.002 | 52.480 | -5.452 | -5.452 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 95 | GLU | -1 | -0.807 | -0.910 | 47.971 | -6.113 | -6.113 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 96 | TYR | 0 | -0.001 | 0.004 | 47.011 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 97 | ILE | 0 | 0.009 | 0.017 | 40.566 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 98 | PHE | 0 | 0.028 | -0.018 | 40.511 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 99 | PRO | 0 | -0.051 | -0.008 | 39.142 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 100 | LEU | 0 | 0.010 | 0.005 | 37.442 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 101 | SER | 0 | -0.039 | -0.048 | 34.003 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 102 | MET | 0 | -0.012 | -0.006 | 35.448 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 103 | PRO | 0 | -0.035 | -0.021 | 38.386 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 104 | ALA | 0 | 0.071 | 0.043 | 41.488 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 105 | GLY | 0 | 0.033 | 0.025 | 44.816 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 106 | LEU | 0 | -0.052 | -0.031 | 41.984 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 107 | PRO | 0 | 0.024 | 0.010 | 46.298 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 108 | ALA | 0 | 0.183 | 0.139 | 47.062 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 109 | GLU | -1 | -0.888 | -1.039 | 43.170 | -6.465 | -6.465 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 110 | GLU | -1 | -0.896 | -0.942 | 44.691 | -6.361 | -6.361 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 111 | GLN | 0 | -0.074 | -0.035 | 46.555 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 112 | ILE | 0 | -0.036 | 0.015 | 44.717 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 113 | ARG | 1 | 0.843 | 0.941 | 44.532 | 6.094 | 6.094 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 114 | VAL | 0 | 0.018 | 0.002 | 44.336 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 115 | ALA | 0 | 0.064 | 0.034 | 40.674 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 116 | GLN | 0 | -0.078 | -0.037 | 42.167 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 117 | LEU | 0 | 0.029 | 0.031 | 38.627 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 118 | ASP | -1 | -0.805 | -0.896 | 42.100 | -6.751 | -6.751 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 119 | ASN | 0 | -0.171 | -0.095 | 38.039 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 120 | PRO | 0 | 0.028 | 0.010 | 42.074 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 121 | GLU | -1 | -0.874 | -0.960 | 37.761 | -7.168 | -7.168 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 122 | ASP | -1 | -0.761 | -0.862 | 36.605 | -7.867 | -7.867 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 123 | VAL | 0 | -0.022 | 0.001 | 38.543 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 124 | ALA | 0 | 0.013 | 0.004 | 40.477 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 125 | TYR | 0 | -0.065 | -0.055 | 32.533 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 126 | ARG | 1 | 0.894 | 0.926 | 37.268 | 6.687 | 6.687 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 127 | GLU | -1 | -0.866 | -0.896 | 38.649 | -6.396 | -6.396 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 128 | TYR | 0 | -0.029 | -0.046 | 37.997 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 129 | LEU | 0 | 0.035 | 0.035 | 33.573 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 130 | VAL | 0 | -0.103 | -0.058 | 37.059 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 131 | LYS | 1 | 0.754 | 0.866 | 39.883 | 6.449 | 6.449 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 132 | ILE | 0 | -0.065 | -0.014 | 34.507 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 133 | TYR | 0 | -0.028 | -0.019 | 33.404 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 134 | GLY | 0 | -0.005 | 0.023 | 37.405 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 135 | LYS | 1 | 0.841 | 0.915 | 39.101 | 6.930 | 6.930 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 136 | ASN | 0 | 0.029 | -0.015 | 40.085 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 137 | LYS | 1 | 0.878 | 0.953 | 35.328 | 7.309 | 7.309 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 138 | GLN | 0 | 0.065 | 0.022 | 35.322 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 139 | MET | 0 | -0.075 | -0.027 | 36.259 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 140 | VAL | 0 | -0.043 | -0.013 | 33.542 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 141 | SER | 0 | 0.033 | 0.014 | 33.929 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 142 | GLY | 0 | -0.014 | -0.007 | 30.806 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 143 | ILE | 0 | -0.047 | -0.016 | 27.048 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 144 | HIS | 1 | 0.841 | 0.930 | 25.122 | 9.567 | 9.567 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 145 | TYR | 0 | -0.011 | -0.015 | 19.930 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 146 | ASN | 0 | 0.031 | 0.017 | 20.905 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 147 | PHE | 0 | 0.034 | 0.011 | 14.128 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 148 | GLN | 0 | 0.005 | 0.002 | 16.369 | -0.885 | -0.885 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 149 | LEU | 0 | 0.024 | 0.025 | 10.790 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 150 | SER | 0 | -0.010 | -0.011 | 14.932 | 0.665 | 0.665 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 151 | PRO | 0 | 0.112 | 0.043 | 14.524 | -1.118 | -1.118 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 152 | ASP | -1 | -0.902 | -0.947 | 14.636 | -16.418 | -16.418 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 153 | LEU | 0 | -0.025 | -0.021 | 10.792 | -0.901 | -0.901 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 154 | ILE | 0 | 0.049 | 0.034 | 9.875 | -1.990 | -1.990 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 155 | THR | 0 | -0.038 | -0.003 | 9.980 | -1.831 | -1.831 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 156 | ARG | 1 | 0.932 | 0.957 | 11.288 | 16.856 | 16.856 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 157 | LEU | 0 | -0.011 | -0.003 | 6.502 | -1.813 | -1.813 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 158 | PHE | 0 | -0.017 | -0.012 | 7.033 | -3.616 | -3.616 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 159 | ARG | 1 | 0.806 | 0.899 | 8.155 | 23.946 | 23.946 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 160 | LEU | 0 | -0.067 | -0.031 | 6.787 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 161 | GLN | 0 | 0.001 | 0.012 | 2.379 | -8.721 | -6.721 | 4.029 | -1.924 | -4.105 | -0.019 |
161 | A | 162 | ASN | 0 | 0.004 | -0.009 | 4.775 | 2.372 | 2.479 | -0.001 | -0.003 | -0.101 | 0.000 |
162 | A | 163 | GLU | -1 | -0.837 | -0.908 | 1.798 | -137.423 | -140.934 | 24.943 | -11.584 | -9.848 | -0.146 |
163 | A | 164 | TYR | 0 | 0.001 | 0.006 | 2.371 | 2.209 | 3.405 | 0.633 | -0.463 | -1.365 | 0.000 |
164 | A | 165 | GLN | 0 | -0.042 | 0.003 | 7.064 | 4.035 | 4.035 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 166 | SER | 0 | 0.018 | -0.006 | 10.361 | 2.163 | 2.163 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 167 | ALA | 0 | 0.038 | 0.005 | 9.972 | -1.538 | -1.538 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 168 | VAL | 0 | 0.009 | -0.002 | 10.545 | -0.901 | -0.901 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 169 | ASP | -1 | -0.878 | -0.930 | 9.085 | -25.327 | -25.327 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 170 | PHE | 0 | 0.032 | 0.007 | 3.286 | -1.000 | -0.647 | 0.015 | -0.060 | -0.308 | 0.000 |
170 | A | 171 | GLN | 0 | -0.005 | -0.008 | 6.468 | -0.311 | -0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 172 | ASN | 0 | 0.000 | -0.018 | 9.178 | 0.991 | 0.991 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 173 | ASP | -1 | -0.868 | -0.925 | 3.305 | -33.437 | -32.602 | 0.041 | -0.433 | -0.444 | -0.003 |
173 | A | 174 | LEU | 0 | 0.021 | 0.011 | 4.818 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 175 | TYR | 0 | 0.019 | -0.004 | 6.128 | 1.098 | 1.098 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 176 | LEU | 0 | -0.019 | 0.000 | 8.092 | 1.123 | 1.123 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 177 | LYS | 1 | 0.860 | 0.960 | 3.648 | 37.873 | 38.109 | 0.001 | -0.050 | -0.187 | 0.000 |
177 | A | 178 | MET | 0 | -0.033 | -0.010 | 6.893 | 1.386 | 1.386 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 179 | ALA | 0 | -0.021 | -0.020 | 9.660 | 1.365 | 1.365 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 180 | LYS | 1 | 0.892 | 0.962 | 7.556 | 22.719 | 22.719 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 181 | ASN | 0 | 0.015 | -0.015 | 7.956 | 1.807 | 1.807 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 182 | PHE | 0 | 0.008 | -0.010 | 11.570 | 1.066 | 1.066 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 183 | LEU | 0 | 0.009 | 0.000 | 14.479 | 0.849 | 0.849 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 184 | ARG | 1 | 0.746 | 0.846 | 14.430 | 15.274 | 15.274 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 185 | TYR | 0 | 0.020 | -0.015 | 13.139 | 0.918 | 0.918 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 186 | GLN | 0 | 0.011 | 0.028 | 17.564 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 187 | TRP | 0 | 0.033 | 0.000 | 19.406 | 0.745 | 0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 188 | ILE | 0 | -0.043 | -0.016 | 19.065 | 0.493 | 0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 189 | LEU | 0 | -0.012 | -0.017 | 19.516 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 190 | LEU | 0 | -0.004 | 0.023 | 22.972 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 191 | TYR | 0 | -0.009 | -0.012 | 25.664 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 192 | LEU | 0 | -0.072 | -0.036 | 24.148 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 193 | LEU | 0 | -0.080 | -0.044 | 25.548 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 194 | ALA | 0 | 0.035 | 0.050 | 28.833 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 195 | ALA | 0 | -0.019 | -0.025 | 30.563 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 196 | THR | 0 | -0.050 | -0.027 | 32.125 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 197 | PRO | 0 | 0.009 | 0.029 | 34.853 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 198 | THR | 0 | -0.021 | -0.029 | 36.978 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 199 | VAL | 0 | 0.037 | 0.011 | 38.196 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 200 | GLU | -1 | -0.773 | -0.911 | 40.023 | -6.881 | -6.881 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 201 | SER | 0 | -0.036 | -0.021 | 43.253 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 202 | ALA | 0 | 0.012 | 0.024 | 41.898 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 203 | TYR | 0 | -0.049 | -0.023 | 43.956 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 204 | PHE | 0 | -0.058 | -0.018 | 44.762 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 205 | LYN | 0 | -0.022 | 0.005 | 35.451 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 206 | ASP | -1 | -0.815 | -0.971 | 38.239 | -7.368 | -7.368 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 207 | GLY | 0 | 0.047 | 0.032 | 41.267 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 208 | SER | 0 | -0.090 | -0.028 | 41.741 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 209 | PRO | 0 | -0.011 | -0.003 | 38.814 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 210 | LEU | 0 | -0.023 | -0.002 | 41.465 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 211 | ALA | 0 | 0.074 | 0.032 | 42.944 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 212 | LYS | 1 | 0.815 | 0.901 | 44.772 | 6.270 | 6.270 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 213 | GLY | 0 | 0.075 | 0.041 | 44.991 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 214 | GLN | 0 | -0.086 | -0.039 | 42.271 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 215 | PHE | 0 | 0.078 | 0.039 | 38.858 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 216 | VAL | 0 | -0.002 | 0.024 | 34.648 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 217 | ARG | 1 | 0.829 | 0.904 | 30.142 | 8.819 | 8.819 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 218 | SER | 0 | -0.074 | -0.049 | 30.115 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 219 | LEU | 0 | 0.014 | 0.006 | 31.926 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 220 | ARG | 1 | 0.838 | 0.905 | 27.526 | 9.360 | 9.360 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 221 | SER | 0 | 0.002 | -0.007 | 26.870 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 222 | SER | 0 | -0.012 | 0.003 | 28.367 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 223 | GLN | 0 | -0.020 | -0.010 | 31.125 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 224 | TYR | 0 | 0.009 | 0.008 | 32.233 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 225 | GLY | 0 | -0.020 | -0.002 | 32.423 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 226 | TYR | 0 | -0.041 | -0.027 | 30.731 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 227 | VAL | 0 | 0.029 | 0.025 | 27.120 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 228 | ASN | 0 | -0.049 | -0.040 | 29.538 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 229 | ASP | -1 | -0.831 | -0.928 | 29.429 | -8.818 | -8.818 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 230 | PRO | 0 | -0.045 | -0.002 | 28.331 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 231 | GLU | -1 | -0.900 | -0.967 | 27.187 | -8.948 | -8.948 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 232 | ILE | 0 | -0.092 | -0.015 | 24.141 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 233 | ASN | 0 | -0.011 | -0.015 | 20.634 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 234 | VAL | 0 | -0.017 | -0.022 | 17.797 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 235 | SER | 0 | 0.014 | 0.019 | 15.163 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 236 | PHE | 0 | 0.017 | -0.013 | 12.172 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 237 | ASP | -1 | -0.923 | -0.975 | 10.606 | -18.670 | -18.670 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 238 | SER | 0 | 0.015 | -0.004 | 9.780 | -1.222 | -1.222 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 239 | VAL | 0 | 0.037 | 0.046 | 11.150 | 1.177 | 1.177 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 240 | GLU | -1 | -0.825 | -0.956 | 12.302 | -18.068 | -18.068 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 241 | LYS | 1 | 0.935 | 0.976 | 13.892 | 17.852 | 17.852 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 242 | TYR | 0 | 0.030 | 0.046 | 14.991 | 0.888 | 0.888 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 243 | VAL | 0 | -0.023 | -0.025 | 16.810 | 0.780 | 0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 244 | GLU | -1 | -0.879 | -0.934 | 19.166 | -12.283 | -12.283 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 245 | SER | 0 | -0.045 | -0.032 | 19.125 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 246 | LEU | 0 | 0.018 | 0.001 | 20.690 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 247 | GLU | -1 | -0.875 | -0.921 | 22.874 | -10.344 | -10.344 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 248 | HIS | 0 | -0.005 | 0.026 | 24.672 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 249 | TRP | 0 | 0.067 | 0.039 | 24.163 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 250 | VAL | 0 | -0.039 | -0.013 | 26.875 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 251 | SER | 0 | -0.100 | -0.063 | 28.384 | 0.362 | 0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 252 | THR | 0 | -0.148 | -0.102 | 30.372 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 253 | GLY | 0 | 0.056 | 0.014 | 30.877 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 254 | LYS | 1 | 0.898 | 0.958 | 30.940 | 8.469 | 8.469 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 255 | LEU | 0 | -0.001 | 0.034 | 25.949 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 256 | ILE | 0 | -0.023 | -0.017 | 30.484 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 257 | ALA | 0 | -0.023 | -0.024 | 29.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 258 | GLU | -1 | -0.758 | -0.879 | 23.932 | -11.200 | -11.200 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 259 | LYS | 1 | 0.825 | 0.899 | 25.121 | 10.085 | 10.085 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 260 | GLU | -1 | -0.757 | -0.834 | 27.238 | -8.471 | -8.471 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 261 | PHE | 0 | -0.021 | 0.001 | 19.941 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 262 | TYR | 0 | 0.038 | 0.017 | 25.071 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 263 | SER | 0 | 0.020 | -0.004 | 19.455 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 264 | ASN | 0 | 0.080 | 0.029 | 20.978 | 0.335 | 0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 265 | VAL | 0 | -0.019 | 0.016 | 15.577 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 266 | ARG | 1 | 0.833 | 0.922 | 18.636 | 11.670 | 11.670 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 267 | LEU | 0 | 0.057 | 0.032 | 14.234 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 268 | ARG | 1 | 0.931 | 0.958 | 17.390 | 11.841 | 11.841 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 269 | GLY | 0 | 0.052 | 0.029 | 18.423 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 270 | ALA | 0 | -0.038 | -0.018 | 20.499 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 271 | LYS | 1 | 0.862 | 0.948 | 21.605 | 12.442 | 12.442 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 272 | LYS | 1 | 0.916 | 0.923 | 23.407 | 10.774 | 10.774 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 273 | ALA | 0 | 0.034 | 0.018 | 19.483 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 274 | ARG | 1 | 0.891 | 0.936 | 18.952 | 11.454 | 11.454 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 275 | GLU | -1 | -0.826 | -0.883 | 19.649 | -12.763 | -12.763 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 276 | PHE | 0 | 0.023 | 0.004 | 15.650 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 277 | LEU | 0 | -0.049 | -0.019 | 15.178 | -0.715 | -0.715 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 278 | THR | 0 | -0.050 | -0.016 | 16.143 | -0.565 | -0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 279 | THR | 0 | -0.096 | -0.066 | 17.283 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 280 | GLY | 0 | -0.003 | -0.001 | 13.966 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 281 | ILE | 0 | -0.060 | -0.029 | 11.713 | 1.024 | 1.024 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 282 | GLN | 0 | 0.019 | 0.008 | 14.105 | -0.645 | -0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 283 | TYR | 0 | -0.061 | -0.027 | 15.811 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 284 | LEU | 0 | -0.007 | 0.003 | 12.842 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 285 | GLU | -1 | -0.897 | -0.956 | 17.075 | -10.723 | -10.723 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 286 | PHE | 0 | -0.039 | -0.021 | 15.102 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 287 | ARG | 1 | 0.953 | 0.955 | 20.735 | 10.831 | 10.831 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 288 | LEU | 0 | -0.004 | 0.008 | 21.804 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 289 | PHE | 0 | -0.018 | -0.018 | 21.507 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 290 | ASP | -1 | -0.800 | -0.877 | 26.752 | -8.985 | -8.985 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 291 | LEU | 0 | -0.023 | 0.003 | 30.503 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 292 | ASN | 0 | -0.028 | -0.011 | 31.617 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 293 | PRO | 0 | 0.043 | 0.009 | 34.170 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 294 | PHE | 0 | -0.023 | -0.010 | 36.386 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 295 | GLU | -1 | -0.927 | -0.948 | 33.480 | -8.165 | -8.165 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 296 | ILE | 0 | 0.029 | 0.024 | 36.610 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 297 | TYR | 0 | -0.039 | -0.018 | 34.909 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 298 | GLY | 0 | 0.022 | 0.004 | 34.186 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 299 | ILE | 0 | 0.009 | -0.019 | 26.948 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 300 | SER | 0 | 0.065 | 0.037 | 30.217 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 301 | LEU | 0 | 0.067 | 0.023 | 28.437 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 302 | LYS | 1 | 0.911 | 0.946 | 27.625 | 8.819 | 8.819 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 303 | ASP | -1 | -0.795 | -0.911 | 26.482 | -10.357 | -10.357 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 304 | ALA | 0 | 0.000 | 0.010 | 24.827 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 305 | LYS | 1 | 0.860 | 0.913 | 23.337 | 10.229 | 10.229 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 306 | PHE | 0 | -0.018 | 0.003 | 22.030 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 307 | ILE | 0 | 0.029 | 0.012 | 19.370 | -0.600 | -0.600 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 308 | HIS | 0 | -0.003 | 0.016 | 17.474 | -0.688 | -0.688 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 309 | VAL | 0 | 0.031 | 0.011 | 17.200 | -0.882 | -0.882 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 310 | PHE | 0 | 0.039 | 0.005 | 16.339 | -1.018 | -1.018 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 311 | ALA | 0 | -0.010 | -0.006 | 14.695 | -0.796 | -0.796 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 312 | LEU | 0 | 0.000 | -0.012 | 12.738 | -1.250 | -1.250 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 313 | PHE | 0 | 0.012 | 0.003 | 11.826 | -1.652 | -1.652 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 314 | MET | 0 | -0.042 | 0.002 | 11.079 | -1.234 | -1.234 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 315 | ILE | 0 | -0.052 | -0.019 | 7.703 | -1.735 | -1.735 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 316 | TRP | 0 | -0.021 | -0.017 | 7.337 | -3.325 | -3.325 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 317 | MET | 0 | -0.004 | 0.011 | 8.752 | -1.531 | -1.531 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 318 | ASP | -1 | -0.861 | -0.956 | 6.011 | -37.677 | -37.677 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 319 | HIS | 0 | 0.003 | 0.011 | 5.539 | -3.851 | -3.851 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 320 | THR | 0 | 0.049 | 0.013 | 5.477 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 321 | ALA | 0 | -0.011 | -0.001 | 7.405 | 0.570 | 0.570 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 322 | ASP | -1 | -0.896 | -0.945 | 10.738 | -18.957 | -18.957 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 323 | GLN | 0 | 0.028 | 0.008 | 12.587 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 324 | GLU | -1 | -0.905 | -0.952 | 15.360 | -11.930 | -11.930 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 325 | GLU | -1 | -0.831 | -0.905 | 13.610 | -15.538 | -15.538 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 326 | VAL | 0 | -0.026 | -0.030 | 13.274 | 0.588 | 0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 327 | GLU | -1 | -0.850 | -0.899 | 15.976 | -11.086 | -11.086 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 328 | LEU | 0 | 0.021 | 0.011 | 18.757 | 0.584 | 0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 329 | GLY | 0 | -0.005 | -0.017 | 18.386 | 0.377 | 0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 330 | LYS | 1 | 0.799 | 0.891 | 19.298 | 12.255 | 12.255 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 331 | ALA | 0 | 0.025 | 0.030 | 21.666 | 0.427 | 0.427 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 332 | ARG | 1 | 0.932 | 0.969 | 21.306 | 12.175 | 12.175 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 333 | LEU | 0 | -0.036 | -0.037 | 22.175 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 334 | ALA | 0 | 0.005 | 0.001 | 24.103 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 335 | GLU | -1 | -0.924 | -0.952 | 27.155 | -8.559 | -8.559 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 336 | VAL | 0 | -0.032 | -0.028 | 25.693 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 337 | ALA | 0 | -0.001 | -0.020 | 27.857 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 338 | PHE | 0 | 0.023 | 0.012 | 29.541 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 339 | GLU | -1 | -0.840 | -0.928 | 30.742 | -8.718 | -8.718 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 340 | HIS | 0 | 0.051 | 0.032 | 33.686 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 341 | PRO | 0 | -0.031 | -0.021 | 34.727 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 342 | LEU | 0 | -0.049 | -0.015 | 35.396 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 343 | GLU | -1 | -0.927 | -0.954 | 35.628 | -7.718 | -7.718 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 344 | LYS | 1 | 0.919 | 0.942 | 32.351 | 8.349 | 8.349 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 345 | THR | 0 | 0.012 | 0.047 | 26.667 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 346 | ALA | 0 | 0.054 | 0.038 | 28.659 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 347 | TYR | 0 | -0.040 | -0.033 | 24.142 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 348 | ALA | 0 | 0.040 | -0.017 | 24.613 | -0.416 | -0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 349 | VAL | 0 | 0.040 | 0.022 | 23.825 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 350 | GLU | -1 | -0.805 | -0.868 | 19.777 | -13.470 | -13.470 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 351 | GLY | 0 | 0.026 | 0.014 | 20.671 | -0.565 | -0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 352 | GLU | -1 | -0.974 | -0.985 | 22.282 | -10.775 | -10.775 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 353 | LEU | 0 | -0.027 | -0.032 | 19.734 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 354 | VAL | 0 | -0.018 | -0.005 | 16.761 | -0.542 | -0.542 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 355 | LEU | 0 | -0.022 | -0.028 | 18.116 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 356 | LEU | 0 | -0.028 | -0.005 | 20.816 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 357 | GLU | -1 | -0.874 | -0.946 | 13.894 | -20.346 | -20.346 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 358 | LEU | 0 | -0.024 | -0.005 | 17.200 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 359 | LEU | 0 | -0.025 | -0.009 | 18.149 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 360 | SER | 0 | 0.015 | 0.028 | 17.126 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 361 | MET | 0 | -0.015 | 0.001 | 14.522 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 362 | LEU | 0 | -0.021 | -0.032 | 16.528 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 363 | GLU | -1 | -0.972 | -0.985 | 19.587 | -13.917 | -13.917 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 364 | GLN | 0 | -0.050 | -0.024 | 14.357 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 365 | ILE | 0 | -0.134 | -0.050 | 14.807 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 366 | GLY | 0 | -0.004 | 0.006 | 17.380 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 367 | ALA | 0 | -0.051 | -0.021 | 20.376 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 368 | GLU | -1 | -0.920 | -0.972 | 21.899 | -10.842 | -10.842 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 369 | PRO | 0 | 0.002 | -0.017 | 25.550 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 370 | GLU | -1 | -0.862 | -0.922 | 28.299 | -9.982 | -9.982 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 371 | LEU | 0 | 0.010 | -0.006 | 21.973 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 372 | PHE | 0 | -0.016 | -0.005 | 22.502 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 373 | GLU | -1 | -0.953 | -0.971 | 26.282 | -9.292 | -9.292 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 374 | ILE | 0 | -0.024 | -0.003 | 25.850 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 375 | VAL | 0 | 0.039 | 0.007 | 22.298 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 376 | LYS | 1 | 0.962 | 0.996 | 25.285 | 10.717 | 10.717 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 377 | GLU | -1 | -0.845 | -0.903 | 28.126 | -9.141 | -9.141 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 378 | LYS | 1 | 0.834 | 0.906 | 25.321 | 10.507 | 10.507 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 379 | LEU | 0 | 0.024 | 0.016 | 24.763 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 380 | THR | 0 | -0.070 | -0.046 | 28.099 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 381 | GLN | 0 | -0.018 | -0.018 | 29.280 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 382 | PHE | 0 | 0.002 | 0.015 | 24.745 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 383 | THR | 0 | -0.108 | -0.030 | 30.219 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 384 | ASP | -1 | -0.895 | -0.982 | 33.402 | -7.827 | -7.827 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 385 | PRO | 0 | 0.085 | 0.049 | 33.661 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 386 | SER | 0 | -0.008 | 0.021 | 34.808 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 387 | LYS | 1 | 0.849 | 0.926 | 34.371 | 8.510 | 8.510 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 388 | THR | 0 | 0.013 | 0.020 | 31.302 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 389 | VAL | 0 | 0.038 | 0.023 | 31.874 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 390 | ALA | 0 | 0.070 | 0.043 | 32.511 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 391 | GLY | 0 | 0.008 | -0.001 | 34.476 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 392 | ARG | 1 | 0.874 | 0.925 | 35.207 | 8.357 | 8.357 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 393 | LEU | 0 | -0.005 | 0.005 | 36.396 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 394 | VAL | 0 | 0.021 | 0.026 | 38.500 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 395 | ARG | 1 | 0.955 | 0.982 | 40.439 | 7.285 | 7.285 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 396 | ALA | 0 | -0.047 | -0.035 | 42.029 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 397 | ILE | 0 | -0.010 | -0.004 | 40.414 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 398 | GLU | -1 | -0.955 | -0.974 | 44.308 | -6.269 | -6.269 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 399 | GLN | 0 | -0.064 | -0.012 | 46.769 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 400 | ALA | 0 | -0.042 | -0.025 | 48.335 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 401 | GLY | 0 | -0.026 | -0.008 | 49.299 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 402 | SER | 0 | -0.032 | -0.026 | 47.477 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 403 | ASP | -1 | -0.868 | -0.940 | 41.509 | -6.859 | -6.859 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 404 | GLN | 0 | 0.035 | 0.017 | 44.201 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 405 | GLN | 0 | -0.055 | -0.029 | 46.277 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 406 | LEU | 0 | 0.036 | 0.022 | 42.292 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 407 | GLY | 0 | 0.046 | 0.011 | 43.301 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 408 | ALA | 0 | 0.045 | 0.017 | 44.168 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 409 | GLN | 0 | -0.024 | -0.021 | 47.507 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 410 | LEU | 0 | -0.012 | -0.006 | 41.538 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 411 | ALA | 0 | -0.001 | 0.013 | 44.221 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 412 | GLN | 0 | -0.050 | -0.028 | 45.141 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 413 | GLN | 0 | -0.025 | 0.000 | 44.904 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 414 | TYR | 0 | -0.019 | -0.040 | 40.225 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 415 | LYS | 1 | 0.876 | 0.955 | 44.923 | 5.976 | 5.976 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 416 | ALA | 0 | -0.007 | -0.002 | 47.082 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 417 | GLN | 0 | 0.021 | 0.019 | 43.910 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 418 | ALA | 0 | -0.039 | -0.017 | 44.991 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 419 | PHE | 0 | 0.000 | 0.002 | 46.415 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 420 | GLU | -1 | -0.951 | -0.970 | 49.179 | -6.031 | -6.031 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 421 | ARG | 1 | 0.863 | 0.923 | 48.833 | 5.768 | 5.768 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 422 | PHE | 0 | 0.053 | 0.043 | 49.175 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 423 | TYR | 0 | -0.048 | -0.036 | 50.082 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 424 | ALA | 0 | -0.037 | -0.018 | 47.542 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 425 | LEU | 0 | -0.023 | 0.001 | 41.117 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 426 | SER | 0 | 0.003 | -0.029 | 42.074 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 427 | ALA | 0 | -0.006 | 0.011 | 37.976 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 428 | PHE | 0 | -0.003 | -0.034 | 36.219 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 429 | ASP | -1 | -0.859 | -0.907 | 41.354 | -6.501 | -6.501 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 430 | ASN | 0 | -0.011 | -0.022 | 40.352 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 431 | MET | 0 | 0.014 | 0.035 | 40.632 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 432 | GLU | -1 | -0.861 | -0.936 | 45.172 | -6.089 | -6.089 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 433 | LEU | 0 | 0.050 | 0.031 | 47.779 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 434 | SER | 0 | -0.036 | -0.019 | 49.400 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 435 | THR | 0 | 0.073 | 0.031 | 44.350 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 436 | GLN | 0 | 0.010 | 0.007 | 44.755 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 437 | ALA | 0 | -0.029 | -0.008 | 45.663 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 438 | LEU | 0 | 0.007 | -0.011 | 45.160 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 439 | LEU | 0 | 0.025 | 0.021 | 40.161 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 440 | PHE | 0 | 0.019 | 0.016 | 42.837 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 441 | ASP | -1 | -0.790 | -0.904 | 44.387 | -6.168 | -6.168 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 442 | VAL | 0 | 0.037 | 0.011 | 40.702 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 443 | ILE | 0 | 0.031 | 0.018 | 38.911 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 444 | GLN | 0 | -0.060 | -0.042 | 41.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 445 | LYS | 1 | 0.823 | 0.917 | 43.867 | 6.334 | 6.334 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 446 | GLY | 0 | 0.004 | 0.009 | 39.960 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 447 | ILE | 0 | -0.050 | -0.023 | 39.416 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 448 | HIS | 0 | 0.029 | 0.009 | 32.123 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 449 | THR | 0 | -0.003 | 0.002 | 36.754 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 450 | GLU | -1 | -0.945 | -0.971 | 32.283 | -9.339 | -9.339 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 451 | ILE | 0 | -0.014 | -0.014 | 35.475 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 452 | LEU | 0 | -0.032 | -0.006 | 35.175 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 453 | ASP | -1 | -0.849 | -0.943 | 36.453 | -7.928 | -7.928 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 454 | GLU | -1 | -0.825 | -0.914 | 36.846 | -7.963 | -7.963 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 455 | ASN | 0 | -0.067 | -0.039 | 39.023 | 0.288 | 0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 456 | ASP | -1 | -0.877 | -0.927 | 41.933 | -6.746 | -6.746 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 457 | GLN | 0 | -0.006 | -0.007 | 42.766 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 458 | PHE | 0 | -0.012 | -0.004 | 40.878 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 459 | LEU | 0 | 0.019 | 0.010 | 40.264 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 460 | CYS | 0 | -0.046 | -0.013 | 36.364 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 461 | LEU | 0 | 0.022 | 0.018 | 38.575 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 462 | LYS | 1 | 0.926 | 0.964 | 35.443 | 8.146 | 8.146 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 463 | TYR | 0 | 0.019 | 0.007 | 38.307 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 464 | GLY | 0 | 0.028 | 0.012 | 38.433 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 465 | ASP | -1 | -0.911 | -0.973 | 37.741 | -8.048 | -8.048 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 466 | HIS | 1 | 0.815 | 0.926 | 39.319 | 6.730 | 6.730 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 467 | ILE | 0 | -0.035 | -0.029 | 38.341 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 468 | GLU | -1 | -0.837 | -0.887 | 41.294 | -6.385 | -6.385 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 469 | TYR | 0 | -0.014 | -0.020 | 37.989 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 470 | VAL | 0 | -0.009 | 0.008 | 43.511 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 471 | LYS | 1 | 0.924 | 0.976 | 44.783 | 6.432 | 6.432 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 472 | ASN | 0 | -0.038 | -0.029 | 46.566 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 473 | GLY | 0 | -0.005 | 0.006 | 47.475 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 474 | ASN | 0 | -0.048 | -0.050 | 49.003 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 475 | MET | 0 | 0.027 | 0.047 | 49.462 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 476 | THR | 0 | -0.019 | -0.032 | 48.680 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 477 | SER | 0 | 0.003 | -0.050 | 47.591 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 478 | HIS | 0 | -0.017 | -0.004 | 49.761 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 479 | ASP | -1 | -0.852 | -0.915 | 53.038 | -5.442 | -5.442 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 480 | SER | 0 | 0.011 | 0.013 | 53.378 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 481 | TYR | 0 | 0.053 | -0.002 | 52.434 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 482 | ILE | 0 | -0.021 | -0.011 | 55.389 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 483 | SER | 0 | 0.043 | 0.017 | 58.773 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 484 | PRO | 0 | 0.034 | 0.008 | 55.415 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 485 | LEU | 0 | 0.007 | 0.015 | 56.778 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 486 | ILE | 0 | -0.049 | -0.018 | 59.990 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 487 | MET | 0 | -0.029 | -0.032 | 60.132 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 488 | GLU | -1 | -0.981 | -0.965 | 59.795 | -5.107 | -5.107 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 489 | ASN | 0 | 0.033 | 0.026 | 61.796 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 490 | LYS | 1 | 0.938 | 0.974 | 65.002 | 4.829 | 4.829 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 491 | VAL | 0 | -0.029 | -0.058 | 67.356 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 492 | VAL | 0 | -0.039 | -0.034 | 66.014 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 493 | THR | 0 | 0.003 | 0.024 | 65.830 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 494 | LYS | 1 | 0.941 | 0.969 | 68.087 | 4.381 | 4.381 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 495 | LYS | 1 | 0.963 | 0.988 | 71.394 | 4.392 | 4.392 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 496 | VAL | 0 | -0.042 | -0.018 | 67.388 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 497 | LEU | 0 | 0.022 | 0.005 | 68.970 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 498 | GLN | 0 | 0.011 | 0.000 | 72.193 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 499 | LYS | 1 | 0.892 | 0.961 | 70.535 | 4.497 | 4.497 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 500 | ALA | 0 | -0.043 | -0.021 | 72.451 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 501 | GLY | 0 | 0.019 | 0.020 | 74.547 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 502 | PHE | 0 | -0.039 | -0.015 | 71.212 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 503 | ASN | 0 | -0.034 | -0.018 | 75.797 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 504 | VAL | 0 | 0.008 | -0.003 | 74.152 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 505 | PRO | 0 | 0.020 | 0.044 | 74.794 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 506 | GLN | 0 | -0.032 | -0.051 | 76.593 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 507 | SER | 0 | -0.026 | -0.015 | 76.624 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 508 | VAL | 0 | -0.010 | -0.011 | 78.722 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 509 | GLU | -1 | -0.855 | -0.926 | 76.776 | -4.182 | -4.182 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 510 | PHE | 0 | -0.083 | -0.049 | 80.683 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 511 | THR | 0 | -0.001 | -0.037 | 81.257 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 512 | SER | 0 | -0.072 | -0.031 | 83.554 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 513 | LEU | 0 | 0.072 | 0.039 | 87.336 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 514 | GLU | -1 | -0.853 | -0.936 | 89.336 | -3.534 | -3.534 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 515 | LYS | 1 | 0.918 | 0.954 | 85.640 | 3.762 | 3.762 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 516 | ALA | 0 | 0.061 | 0.052 | 87.820 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 517 | VAL | 0 | 0.000 | -0.005 | 89.361 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 518 | ALA | 0 | -0.034 | -0.022 | 92.838 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 519 | SER | 0 | -0.130 | -0.080 | 89.203 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 520 | TYR | 0 | -0.020 | -0.047 | 90.423 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 521 | ALA | 0 | -0.003 | 0.001 | 91.888 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 522 | LEU | 0 | -0.075 | -0.011 | 85.648 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 523 | PHE | 0 | -0.016 | -0.022 | 85.226 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 524 | GLU | -1 | -0.800 | -0.864 | 89.356 | -3.317 | -3.317 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 525 | ASN | 0 | -0.047 | -0.017 | 91.731 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 526 | ARG | 1 | 0.840 | 0.889 | 83.875 | 3.750 | 3.750 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 527 | ALA | 0 | 0.043 | 0.024 | 85.611 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 528 | VAL | 0 | 0.001 | 0.008 | 83.976 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 529 | VAL | 0 | 0.016 | -0.002 | 80.169 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 530 | ILE | 0 | -0.010 | -0.005 | 82.343 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 531 | LYS | 1 | 0.889 | 0.929 | 75.819 | 4.195 | 4.195 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 532 | PRO | 0 | 0.059 | 0.036 | 79.753 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 533 | LYS | 1 | 0.856 | 0.941 | 72.162 | 4.337 | 4.337 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 534 | SER | 0 | -0.075 | -0.063 | 74.279 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 535 | THR | 0 | -0.002 | -0.011 | 75.950 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 536 | ASN | 0 | -0.020 | 0.001 | 75.935 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 537 | TYR | 0 | -0.001 | -0.014 | 77.042 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 538 | GLY | 0 | 0.011 | 0.019 | 78.382 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 539 | LEU | 0 | 0.022 | 0.020 | 80.010 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 540 | GLY | 0 | 0.035 | 0.040 | 81.862 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 541 | ILE | 0 | -0.046 | -0.024 | 78.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 542 | THR | 0 | 0.001 | 0.005 | 83.045 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 543 | ILE | 0 | -0.027 | -0.010 | 81.674 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 544 | PHE | 0 | -0.032 | -0.019 | 85.261 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 545 | GLN | 0 | 0.018 | -0.002 | 85.502 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 546 | GLN | 0 | -0.022 | 0.001 | 87.253 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 547 | GLY | 0 | 0.053 | 0.021 | 89.391 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 548 | VAL | 0 | -0.064 | -0.020 | 89.405 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 549 | GLN | 0 | -0.006 | -0.005 | 91.961 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 550 | ASN | 0 | -0.004 | 0.004 | 95.571 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 551 | ARG | 1 | 0.975 | 0.982 | 95.625 | 3.224 | 3.224 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 552 | GLU | -1 | -0.922 | -0.962 | 95.973 | -3.308 | -3.308 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 553 | ASP | -1 | -0.838 | -0.940 | 94.420 | -3.347 | -3.347 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 554 | PHE | 0 | 0.000 | 0.002 | 88.896 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 555 | ALA | 0 | 0.020 | -0.003 | 91.461 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 556 | LYS | 1 | 0.915 | 0.984 | 92.381 | 3.312 | 3.312 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 557 | ALA | 0 | 0.039 | 0.027 | 88.383 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 558 | LEU | 0 | 0.018 | -0.003 | 86.674 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 559 | GLU | -1 | -0.884 | -0.928 | 88.065 | -3.482 | -3.482 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 560 | ILE | 0 | -0.059 | -0.052 | 87.437 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 561 | ALA | 0 | 0.054 | 0.038 | 83.747 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 562 | PHE | 0 | -0.010 | 0.009 | 84.142 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 563 | ARG | 1 | 0.726 | 0.855 | 85.214 | 3.510 | 3.510 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 564 | GLU | -1 | -0.879 | -0.942 | 80.473 | -3.993 | -3.993 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 565 | ASP | -1 | -0.833 | -0.939 | 78.111 | -4.195 | -4.195 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 566 | LYS | 1 | 0.813 | 0.911 | 79.478 | 4.067 | 4.067 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 567 | GLU | -1 | -0.833 | -0.889 | 77.755 | -4.004 | -4.004 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 568 | VAL | 0 | 0.032 | 0.013 | 79.507 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 569 | MET | 0 | -0.008 | 0.034 | 75.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 570 | VAL | 0 | 0.006 | 0.002 | 80.326 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 571 | GLU | -1 | -0.936 | -0.975 | 76.580 | -4.191 | -4.191 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 572 | ASP | -1 | -0.863 | -0.922 | 80.178 | -3.823 | -3.823 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 573 | TYR | 0 | -0.021 | -0.006 | 79.666 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 574 | LEU | 0 | -0.016 | -0.009 | 76.835 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 575 | VAL | 0 | -0.001 | -0.005 | 79.672 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 576 | GLY | 0 | 0.017 | 0.004 | 78.694 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 577 | THR | 0 | -0.020 | 0.000 | 74.924 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 578 | GLU | -1 | -0.927 | -0.971 | 68.977 | -4.543 | -4.543 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 579 | TYR | 0 | -0.023 | -0.023 | 69.919 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 580 | ARG | 1 | 0.832 | 0.908 | 61.052 | 4.954 | 4.954 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 581 | PHE | 0 | 0.018 | -0.008 | 65.619 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 582 | PHE | 0 | -0.029 | -0.029 | 56.282 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 583 | VAL | 0 | -0.025 | -0.017 | 62.133 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 584 | LEU | 0 | -0.004 | 0.003 | 55.105 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 585 | GLY | 0 | 0.008 | -0.005 | 59.144 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 586 | ASP | -1 | -1.035 | -1.025 | 60.119 | -4.877 | -4.877 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 587 | GLU | -1 | -0.862 | -0.936 | 62.519 | -4.678 | -4.678 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 588 | THR | 0 | -0.057 | -0.037 | 62.690 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 589 | LEU | 0 | 0.009 | 0.006 | 57.937 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 590 | ALA | 0 | -0.004 | -0.010 | 61.923 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 591 | VAL | 0 | -0.007 | 0.016 | 63.779 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 592 | LEU | 0 | -0.024 | -0.009 | 62.609 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 593 | LEU | 0 | 0.044 | 0.027 | 66.056 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 594 | ARG | 1 | 0.909 | 0.932 | 62.167 | 4.847 | 4.847 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 595 | VAL | 0 | 0.064 | 0.039 | 68.258 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 596 | PRO | 0 | -0.014 | -0.005 | 69.417 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 597 | ALA | 0 | 0.007 | 0.035 | 68.939 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 598 | ASN | 0 | -0.073 | -0.055 | 70.283 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 599 | VAL | 0 | 0.018 | 0.007 | 71.124 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 600 | VAL | 0 | 0.080 | 0.044 | 73.341 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 601 | GLY | 0 | 0.022 | -0.047 | 75.854 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 602 | ASP | -1 | -1.007 | -0.982 | 76.873 | -3.967 | -3.967 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 603 | SER | 0 | -0.016 | -0.002 | 73.899 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 604 | VAL | 0 | -0.068 | -0.029 | 76.989 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 605 | HIS | 0 | 0.062 | 0.030 | 73.550 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 606 | SER | 0 | 0.046 | 0.026 | 76.216 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 607 | VAL | 0 | 0.058 | 0.022 | 74.382 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 608 | ALA | 0 | -0.029 | -0.025 | 72.889 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 609 | GLU | -1 | -0.911 | -0.961 | 71.400 | -4.276 | -4.276 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 610 | LEU | 0 | -0.058 | -0.019 | 71.139 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 611 | VAL | 0 | -0.022 | -0.023 | 68.352 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 612 | ALA | 0 | -0.068 | -0.026 | 67.148 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 613 | MET | 0 | 0.023 | 0.009 | 66.196 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 614 | LYS | 1 | 0.812 | 0.916 | 66.582 | 4.518 | 4.518 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 615 | ASN | 0 | -0.084 | -0.071 | 63.119 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 616 | ASP | -1 | -0.959 | -0.959 | 61.766 | -5.075 | -5.075 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 617 | HIS | 0 | 0.043 | 0.029 | 60.145 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 618 | PRO | 0 | 0.038 | 0.006 | 55.877 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 619 | LEU | 0 | -0.034 | -0.014 | 56.260 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 620 | ARG | 1 | 0.846 | 0.932 | 57.317 | 4.860 | 4.860 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 621 | GLY | 0 | 0.003 | -0.013 | 56.509 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 622 | ASP | -1 | -0.891 | -0.926 | 54.374 | -5.593 | -5.593 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 623 | GLY | 0 | 0.000 | 0.046 | 56.576 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 624 | SER | 0 | -0.020 | -0.013 | 53.595 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 625 | ARG | 1 | 0.829 | 0.921 | 47.618 | 6.414 | 6.414 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 626 | THR | 0 | -0.104 | -0.122 | 51.986 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 627 | PRO | 0 | 0.054 | 0.031 | 54.353 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 628 | LEU | 0 | -0.014 | -0.003 | 56.991 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 629 | LYS | 1 | 1.004 | 1.012 | 59.218 | 5.078 | 5.078 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 630 | LYS | 1 | 0.905 | 0.956 | 59.304 | 5.308 | 5.308 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 631 | ILE | 0 | 0.015 | 0.026 | 63.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 632 | ALA | 0 | 0.004 | -0.002 | 65.935 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 633 | LEU | 0 | 0.000 | 0.008 | 67.805 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 634 | GLY | 0 | 0.017 | 0.021 | 70.889 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 635 | GLU | -1 | -0.876 | -0.951 | 71.622 | -4.093 | -4.093 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 636 | ILE | 0 | -0.015 | -0.026 | 71.632 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 637 | GLU | -1 | -0.795 | -0.890 | 69.850 | -4.501 | -4.501 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 638 | GLN | 0 | -0.022 | -0.009 | 74.011 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 639 | LEU | 0 | -0.031 | -0.041 | 76.896 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 640 | GLN | 0 | 0.032 | 0.024 | 75.824 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 641 | LEU | 0 | -0.008 | 0.002 | 76.344 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 642 | LYS | 1 | 0.914 | 0.970 | 79.904 | 4.026 | 4.026 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 643 | GLU | -1 | -0.976 | -0.975 | 82.171 | -3.837 | -3.837 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 644 | GLN | 0 | -0.048 | -0.023 | 80.300 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 645 | GLY | 0 | -0.017 | -0.001 | 83.731 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 646 | LEU | 0 | -0.046 | -0.024 | 79.964 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 647 | THR | 0 | -0.066 | -0.052 | 80.450 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 648 | ILE | 0 | 0.054 | 0.015 | 73.557 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 649 | ASP | -1 | -0.883 | -0.955 | 77.590 | -4.046 | -4.046 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 650 | SER | 0 | -0.083 | -0.017 | 79.467 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 651 | ILE | 0 | 0.054 | 0.020 | 79.966 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 652 | PRO | 0 | -0.104 | 0.014 | 77.651 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 653 | ALA | 0 | 0.034 | 0.001 | 80.900 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 654 | LYS | 1 | 0.893 | 0.944 | 82.341 | 3.608 | 3.608 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 655 | ASP | -1 | -0.786 | -0.925 | 78.825 | -3.946 | -3.946 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 656 | GLN | 0 | 0.008 | 0.033 | 80.396 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 657 | LEU | 0 | -0.027 | -0.015 | 75.173 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 658 | VAL | 0 | 0.003 | 0.008 | 76.675 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 659 | GLN | 0 | 0.003 | 0.000 | 75.698 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 660 | LEU | 0 | -0.001 | -0.004 | 72.486 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 661 | ARG | 1 | 0.792 | 0.856 | 69.218 | 4.453 | 4.453 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 662 | ALA | 0 | 0.076 | 0.034 | 73.614 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 663 | ASN | 0 | 0.023 | 0.008 | 70.682 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 664 | SER | 0 | -0.005 | -0.003 | 69.677 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 665 | ASN | 0 | 0.015 | 0.045 | 65.281 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 666 | ILE | 0 | 0.060 | 0.026 | 61.265 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 667 | SER | 0 | -0.016 | -0.027 | 61.968 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 668 | THR | 0 | -0.094 | -0.060 | 63.035 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 669 | GLY | 0 | 0.050 | 0.022 | 64.642 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 670 | GLY | 0 | -0.046 | -0.028 | 65.628 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 671 | ASP | -1 | -0.794 | -0.894 | 65.508 | -4.678 | -4.678 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 672 | SER | 0 | 0.022 | 0.005 | 62.185 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 673 | ILE | 0 | 0.029 | 0.007 | 65.189 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 674 | ASP | -1 | -0.807 | -0.872 | 64.304 | -4.733 | -4.733 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 675 | MET | 0 | 0.048 | 0.021 | 66.280 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 676 | THR | 0 | -0.072 | -0.083 | 65.355 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 677 | ASP | -1 | -0.824 | -0.922 | 67.833 | -4.540 | -4.540 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 678 | GLU | -1 | -0.940 | -0.957 | 70.440 | -4.202 | -4.202 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 679 | MET | 0 | -0.066 | -0.004 | 71.276 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 680 | HIS | 0 | -0.007 | -0.006 | 73.150 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 681 | GLU | -1 | -0.860 | -0.943 | 71.588 | -4.364 | -4.364 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 682 | SER | 0 | 0.008 | 0.017 | 73.255 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 683 | TYR | 0 | -0.013 | -0.027 | 73.227 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 684 | LYS | 1 | 0.938 | 0.979 | 67.420 | 4.505 | 4.505 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 685 | GLN | 0 | -0.009 | 0.001 | 69.278 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 686 | LEU | 0 | 0.028 | 0.027 | 70.429 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 687 | ALA | 0 | 0.009 | 0.031 | 66.822 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 688 | VAL | 0 | 0.054 | 0.025 | 65.403 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 689 | GLY | 0 | -0.005 | -0.018 | 67.131 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 690 | ILE | 0 | -0.025 | -0.031 | 67.005 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 691 | THR | 0 | 0.037 | 0.014 | 62.368 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 692 | LYS | 1 | 0.875 | 0.950 | 62.759 | 4.874 | 4.874 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 693 | ALA | 0 | -0.052 | -0.013 | 65.821 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 694 | MET | 0 | -0.043 | -0.023 | 63.199 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 695 | GLY | 0 | -0.031 | -0.002 | 62.678 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 696 | ALA | 0 | -0.045 | -0.015 | 59.338 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 697 | ALA | 0 | -0.040 | -0.010 | 56.096 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 698 | VAL | 0 | 0.048 | 0.022 | 54.816 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 699 | CYS | 0 | -0.061 | -0.026 | 57.868 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 700 | GLY | 0 | -0.012 | -0.012 | 60.587 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 701 | VAL | 0 | -0.012 | -0.015 | 62.013 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 702 | ASP | -1 | -0.759 | -0.858 | 65.505 | -4.783 | -4.783 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 703 | LEU | 0 | -0.044 | -0.021 | 68.045 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 704 | ILE | 0 | 0.022 | 0.024 | 71.692 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 705 | ILE | 0 | -0.036 | -0.014 | 73.689 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 706 | PRO | 0 | -0.016 | -0.010 | 76.929 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 707 | ASP | -1 | -0.843 | -0.937 | 80.101 | -3.838 | -3.838 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 708 | LEU | 0 | -0.035 | -0.023 | 73.921 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 709 | LYS | 1 | 0.882 | 0.938 | 76.286 | 4.065 | 4.065 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 710 | GLN | 0 | 0.001 | 0.014 | 79.933 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 711 | PRO | 0 | 0.008 | -0.010 | 80.316 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 712 | ALA | 0 | -0.020 | 0.008 | 78.029 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 713 | THR | 0 | -0.003 | -0.003 | 80.177 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 714 | PRO | 0 | -0.010 | -0.018 | 80.809 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 715 | ASN | 0 | -0.018 | -0.023 | 81.197 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 716 | LEU | 0 | 0.093 | 0.053 | 79.590 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 717 | THR | 0 | -0.049 | -0.014 | 81.608 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 718 | SER | 0 | -0.027 | -0.005 | 82.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 719 | TRP | 0 | -0.017 | -0.014 | 73.856 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 720 | GLY | 0 | 0.096 | 0.042 | 76.829 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 721 | VAL | 0 | -0.039 | -0.003 | 70.686 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 722 | ILE | 0 | -0.024 | -0.020 | 69.587 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 723 | GLU | -1 | -0.885 | -0.940 | 65.184 | -4.879 | -4.879 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 724 | ALA | 0 | 0.005 | 0.009 | 64.754 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 725 | ASN | 0 | 0.004 | 0.008 | 60.799 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 726 | PHE | 0 | 0.072 | 0.005 | 55.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 727 | ASN | 0 | 0.018 | 0.008 | 52.477 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 728 | PRO | 0 | -0.043 | 0.004 | 56.215 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 729 | MET | 0 | 0.036 | 0.013 | 55.686 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 730 | MET | 0 | 0.028 | 0.010 | 51.115 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 731 | MET | 0 | 0.005 | 0.022 | 53.374 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 732 | HCS | 0 | 0.029 | 0.015 | 55.206 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 733 | HIS | 0 | -0.024 | -0.001 | 58.299 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 734 | ILE | 0 | 0.007 | 0.005 | 52.939 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 735 | PHE | 0 | -0.049 | -0.019 | 52.690 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 736 | PRO | 0 | -0.054 | 0.018 | 58.605 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 737 | TYR | 0 | -0.007 | -0.003 | 62.183 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 738 | ALA | 0 | 0.014 | -0.002 | 63.905 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 739 | GLY | 0 | -0.020 | -0.019 | 65.070 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 740 | LYS | 1 | 0.988 | 1.013 | 62.359 | 4.857 | 4.857 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 741 | SER | 0 | -0.018 | -0.039 | 58.410 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 742 | ARG | 1 | 0.789 | 0.895 | 59.706 | 4.797 | 4.797 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 743 | ARG | 1 | 0.920 | 0.963 | 49.540 | 5.924 | 5.924 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 744 | LEU | 0 | 0.030 | 0.014 | 55.276 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 745 | THR | 0 | -0.014 | -0.026 | 49.830 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 746 | GLN | 0 | 0.019 | 0.009 | 50.488 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 747 | ASN | 0 | -0.007 | -0.008 | 51.864 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 748 | VAL | 0 | 0.025 | 0.014 | 49.751 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 749 | ILE | 0 | 0.034 | 0.017 | 46.732 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 750 | LYS | 1 | 0.808 | 0.927 | 49.134 | 5.923 | 5.923 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 751 | MET | 0 | -0.007 | -0.002 | 51.237 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 752 | LEU | 0 | -0.026 | -0.006 | 46.313 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 753 | PHE | 0 | -0.035 | -0.012 | 42.949 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 754 | PRO | 0 | 0.030 | 0.002 | 47.917 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 755 | GLU | -1 | -0.889 | -0.949 | 45.674 | -6.420 | -6.420 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 756 | LEU | 0 | -0.039 | -0.006 | 44.163 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |