![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 522GZ
Calculation Name: 4S3P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4S3P
Chain ID: A
UniProt ID: P15977
Base Structure: X-ray
Registration Date: 2023-06-21
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 | OptHSide |
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 | 691 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -17123812.043452 |
---|---|
FMO2-HF: Nuclear repulsion | 16846751.40285 |
FMO2-HF: Total energy | -277060.640602 |
FMO2-MP2: Total energy | -277860.291805 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F025371/ligand_interaction/ligand_F025371.png)
Ligand Interaction
![ligand interaction](./Kdata/F025371/ligand_interaction/ligand_interaction_F025371.png)
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
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. |
-2.519 | 3.978 | 5.805 | -3.127 | -9.175 | -0.006 |
Interaction energy analysis for fragmet #1(A:1:MET)
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 | 3 | SER | 0 | 0.031 | -0.006 | 3.259 | -2.965 | 0.494 | 0.051 | -1.891 | -1.619 | 0.006 |
4 | A | 4 | LYS | 1 | 1.019 | 1.011 | 5.502 | 1.206 | 1.206 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | ARG | 1 | 0.874 | 0.926 | 2.529 | -0.012 | 0.980 | 0.948 | -0.412 | -1.528 | 0.002 |
6 | A | 6 | LEU | 0 | 0.017 | 0.012 | 2.469 | -3.341 | -1.133 | 4.309 | -1.857 | -4.660 | -0.011 |
7 | A | 7 | ASP | -1 | -0.875 | -0.938 | 2.999 | 0.490 | -0.562 | 0.100 | 1.301 | -0.350 | -0.001 |
8 | A | 8 | ASN | 0 | -0.065 | -0.044 | 5.644 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ALA | 0 | 0.009 | 0.014 | 2.575 | -0.343 | 0.100 | 0.398 | -0.213 | -0.628 | -0.002 |
10 | A | 10 | ALA | 0 | 0.024 | 0.000 | 4.544 | 0.291 | 0.372 | -0.001 | -0.016 | -0.064 | 0.000 |
11 | A | 11 | LEU | 0 | -0.011 | -0.002 | 7.119 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ALA | 0 | -0.052 | -0.031 | 7.808 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ALA | 0 | 0.003 | 0.011 | 8.242 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | GLY | 0 | 0.033 | 0.022 | 10.044 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | ILE | 0 | -0.020 | -0.001 | 9.008 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | SER | 0 | -0.017 | -0.006 | 12.186 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | PRO | 0 | -0.016 | -0.020 | 12.269 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.068 | -0.039 | 13.741 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | TYR | 0 | 0.049 | 0.024 | 17.228 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ILE | 0 | -0.012 | 0.000 | 20.751 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ASN | 0 | 0.052 | 0.014 | 23.018 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | ALA | 0 | 0.071 | 0.031 | 24.771 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | HIS | 0 | -0.053 | -0.032 | 27.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | GLY | 0 | 0.015 | 0.006 | 28.498 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | LYS | 1 | 0.902 | 0.965 | 25.347 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | PRO | 0 | 0.012 | 0.008 | 21.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | GLN | 0 | 0.004 | 0.021 | 18.654 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | SER | 0 | -0.015 | -0.020 | 14.517 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | ILE | 0 | -0.001 | 0.014 | 12.041 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | SER | 0 | 0.039 | 0.031 | 11.914 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ALA | 0 | 0.052 | -0.002 | 6.495 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLU | -1 | -0.756 | -0.852 | 7.156 | -0.404 | -0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | THR | 0 | 0.020 | -0.004 | 9.120 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | LYS | 1 | 0.861 | 0.925 | 7.498 | 0.671 | 0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ARG | 1 | 0.829 | 0.892 | 4.600 | 0.788 | 0.979 | -0.001 | -0.013 | -0.176 | 0.000 |
36 | A | 36 | ARG | 1 | 0.757 | 0.848 | 6.485 | 0.583 | 0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | 0.032 | 0.017 | 10.025 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | -0.051 | -0.031 | 4.512 | -0.056 | 0.119 | 0.001 | -0.026 | -0.150 | 0.000 |
39 | A | 39 | ASP | -1 | -0.874 | -0.922 | 8.345 | 0.980 | 0.980 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ALA | 0 | -0.018 | -0.002 | 9.372 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | MET | 0 | -0.036 | 0.015 | 10.977 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | HIS | 1 | 0.827 | 0.907 | 12.313 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | GLN | 0 | 0.002 | 0.008 | 8.120 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | ARG | 1 | 0.972 | 0.984 | 12.298 | -0.479 | -0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | THR | 0 | 0.014 | -0.001 | 9.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | ALA | 0 | -0.003 | 0.005 | 11.880 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | 0.028 | -0.003 | 13.501 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | LYS | 1 | 0.914 | 0.950 | 12.129 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | VAL | 0 | 0.024 | 0.024 | 17.631 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | ALA | 0 | 0.020 | -0.002 | 20.546 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | VAL | 0 | -0.057 | -0.022 | 18.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | THR | 0 | 0.010 | 0.006 | 21.226 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | PRO | 0 | 0.040 | 0.025 | 23.610 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | VAL | 0 | 0.023 | 0.019 | 26.186 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | PRO | 0 | 0.031 | 0.019 | 22.688 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | ASN | 0 | 0.031 | 0.008 | 22.424 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | VAL | 0 | -0.015 | -0.006 | 23.709 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | MET | 0 | -0.008 | 0.000 | 25.198 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | VAL | 0 | 0.013 | 0.020 | 27.297 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | TYR | 0 | -0.001 | -0.029 | 29.497 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | THR | 0 | -0.011 | -0.004 | 32.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | SER | 0 | -0.018 | -0.020 | 35.048 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | GLY | 0 | -0.021 | -0.012 | 38.592 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | LYS | 1 | 0.917 | 0.959 | 35.273 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | LYS | 1 | 0.942 | 0.970 | 36.384 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | MET | 0 | 0.027 | 0.020 | 33.773 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | PRO | 0 | -0.008 | 0.006 | 31.083 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | MET | 0 | 0.044 | 0.048 | 29.158 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | VAL | 0 | 0.007 | -0.019 | 26.183 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | VAL | 0 | -0.001 | 0.007 | 27.484 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | GLU | -1 | -0.907 | -0.939 | 23.012 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | GLY | 0 | 0.012 | 0.005 | 26.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | SER | 0 | -0.071 | -0.052 | 27.545 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | GLY | 0 | 0.049 | 0.038 | 31.165 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLU | -1 | -0.861 | -0.934 | 34.136 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | TYR | 0 | 0.004 | 0.003 | 29.985 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | SER | 0 | 0.010 | 0.005 | 35.475 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | TRP | 0 | -0.049 | -0.034 | 35.476 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | LEU | 0 | -0.018 | -0.015 | 36.814 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | LEU | 0 | -0.022 | -0.022 | 35.691 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | THR | 0 | -0.007 | -0.007 | 38.072 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | THR | 0 | -0.012 | -0.025 | 38.494 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.716 | -0.826 | 39.167 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | GLU | -1 | -0.946 | -0.974 | 40.594 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | GLY | 0 | 0.039 | 0.031 | 43.220 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | THR | 0 | -0.070 | -0.035 | 44.192 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | GLN | 0 | 0.025 | 0.011 | 42.795 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | TYR | 0 | -0.021 | -0.003 | 40.896 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | LYS | 1 | 0.952 | 0.972 | 40.952 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | GLY | 0 | 0.007 | 0.012 | 40.726 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | HIS | 0 | -0.021 | -0.006 | 38.972 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | VAL | 0 | -0.031 | -0.008 | 33.968 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | 0.013 | -0.013 | 34.566 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLY | 0 | -0.003 | 0.008 | 30.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | GLY | 0 | 0.004 | -0.003 | 28.555 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | LYS | 1 | 0.847 | 0.926 | 29.611 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ALA | 0 | -0.009 | 0.005 | 30.430 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | PHE | 0 | -0.004 | -0.006 | 31.966 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ASN | 0 | -0.048 | -0.030 | 34.103 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LEU | 0 | 0.035 | 0.032 | 33.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | PRO | 0 | -0.007 | -0.002 | 37.193 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | THR | 0 | -0.025 | -0.020 | 40.373 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | LYS | 1 | 0.918 | 0.941 | 42.058 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | LEU | 0 | 0.059 | 0.051 | 37.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | PRO | 0 | 0.013 | 0.016 | 41.193 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLU | -1 | -0.763 | -0.884 | 38.876 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | GLY | 0 | -0.018 | -0.006 | 37.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | TYR | 0 | -0.085 | -0.085 | 32.147 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | HIS | 0 | 0.013 | 0.003 | 34.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | THR | 0 | 0.014 | 0.005 | 33.303 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | LEU | 0 | -0.018 | -0.001 | 31.317 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | THR | 0 | -0.028 | -0.019 | 32.488 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | LEU | 0 | -0.021 | -0.008 | 30.565 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | THR | 0 | -0.016 | -0.015 | 33.050 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | GLN | 0 | -0.004 | 0.000 | 31.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ASP | -1 | -0.923 | -0.952 | 34.090 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ASP | -1 | -0.920 | -0.953 | 34.592 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | GLN | 0 | -0.048 | -0.028 | 30.178 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | ARG | 1 | 0.963 | 0.976 | 31.739 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ALA | 0 | -0.011 | 0.004 | 27.743 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | HIS | 0 | 0.009 | -0.007 | 28.629 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | CYS | 0 | -0.040 | -0.008 | 27.230 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | ARG | 1 | 0.807 | 0.886 | 28.544 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | VAL | 0 | -0.015 | -0.016 | 29.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ILE | 0 | 0.015 | 0.016 | 29.388 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | VAL | 0 | -0.029 | -0.004 | 32.734 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | ALA | 0 | 0.046 | 0.018 | 33.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | PRO | 0 | -0.020 | 0.017 | 35.821 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LYS | 1 | 0.853 | 0.915 | 33.569 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | ARG | 1 | 0.748 | 0.867 | 36.440 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | CYS | 0 | 0.007 | 0.014 | 36.704 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | TYR | 0 | -0.001 | 0.008 | 39.307 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | GLU | -1 | -0.824 | -0.900 | 42.837 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | PRO | 0 | 0.057 | 0.031 | 45.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | 0.012 | -0.007 | 49.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ALA | 0 | 0.031 | 0.015 | 52.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | LEU | 0 | 0.027 | 0.010 | 46.652 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | LEU | 0 | -0.009 | 0.008 | 47.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ASN | 0 | -0.065 | -0.025 | 50.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | LYS | 1 | 0.840 | 0.903 | 49.038 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLN | 0 | -0.005 | 0.003 | 52.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | LYS | 1 | 0.804 | 0.907 | 50.686 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LEU | 0 | 0.021 | 0.010 | 50.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | TRP | 0 | -0.048 | -0.038 | 51.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | GLY | 0 | 0.101 | 0.054 | 51.000 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | -0.024 | 0.005 | 51.497 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | CYS | 0 | -0.052 | -0.016 | 45.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | VAL | 0 | 0.027 | 0.000 | 47.964 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | GLN | 0 | 0.073 | 0.059 | 42.696 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | LEU | 0 | 0.019 | 0.026 | 46.547 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | TYR | 0 | 0.037 | -0.011 | 43.964 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | THR | 0 | -0.069 | -0.042 | 48.316 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | LEU | 0 | -0.011 | 0.002 | 50.825 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | ARG | 1 | 0.896 | 0.940 | 53.618 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | SER | 0 | -0.022 | -0.051 | 56.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | GLU | -1 | -0.905 | -0.967 | 59.709 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | LYS | 1 | 0.929 | 0.967 | 60.609 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ASN | 0 | 0.002 | 0.015 | 55.629 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | TRP | 0 | -0.004 | -0.027 | 55.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | GLY | 0 | 0.023 | 0.011 | 55.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ILE | 0 | -0.068 | -0.029 | 47.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | GLY | 0 | 0.005 | 0.032 | 51.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ASP | -1 | -0.807 | -0.931 | 50.455 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | PHE | 0 | 0.063 | 0.007 | 46.112 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | GLY | 0 | 0.033 | 0.023 | 51.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ASP | -1 | -0.786 | -0.854 | 54.151 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | -0.020 | -0.007 | 49.137 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LYS | 1 | 0.981 | 0.983 | 53.226 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | -0.022 | -0.007 | 55.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | MET | 0 | -0.023 | -0.007 | 54.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | LEU | 0 | -0.004 | -0.007 | 51.992 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | VAL | 0 | 0.018 | 0.019 | 55.865 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASP | -1 | -0.784 | -0.867 | 59.625 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | VAL | 0 | 0.003 | 0.006 | 54.236 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | ALA | 0 | 0.027 | 0.017 | 57.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LYS | 1 | 0.838 | 0.914 | 58.645 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ARG | 1 | 0.674 | 0.810 | 60.199 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | GLY | 0 | -0.020 | -0.003 | 59.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLY | 0 | -0.013 | 0.003 | 55.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | SER | 0 | -0.028 | -0.042 | 52.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | PHE | 0 | -0.014 | -0.020 | 47.798 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | ILE | 0 | 0.019 | 0.015 | 49.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | GLY | 0 | -0.020 | -0.022 | 45.949 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | LEU | 0 | -0.036 | -0.015 | 44.094 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | ASN | 0 | 0.029 | 0.016 | 41.693 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | PRO | 0 | 0.004 | 0.014 | 37.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | ILE | 0 | -0.018 | -0.005 | 39.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | HIS | 0 | 0.012 | 0.009 | 35.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ALA | 0 | 0.037 | 0.022 | 37.409 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LEU | 0 | -0.005 | -0.003 | 36.992 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | TYR | 0 | 0.027 | -0.012 | 33.574 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | PRO | 0 | 0.002 | 0.000 | 39.593 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ALA | 0 | 0.019 | 0.021 | 40.680 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ASN | 0 | -0.012 | -0.014 | 37.643 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | PRO | 0 | 0.040 | 0.024 | 40.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | GLU | -1 | -0.779 | -0.851 | 42.965 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | SER | 0 | -0.037 | 0.003 | 37.138 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | ALA | 0 | -0.006 | -0.014 | 39.189 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | SER | 0 | -0.006 | 0.003 | 35.768 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | PRO | 0 | 0.001 | -0.009 | 37.268 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | TYR | 0 | -0.022 | -0.022 | 33.754 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | SER | 0 | 0.003 | 0.017 | 31.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | PRO | 0 | -0.021 | 0.011 | 32.134 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | SER | 0 | 0.049 | 0.030 | 32.354 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | SER | 0 | -0.006 | -0.029 | 32.194 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ARG | 1 | 0.887 | 0.937 | 27.815 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ARG | 1 | 0.803 | 0.883 | 31.809 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | TRP | 0 | 0.027 | 0.021 | 35.837 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | LEU | 0 | 0.008 | -0.003 | 38.781 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | ASN | 0 | -0.003 | -0.005 | 41.499 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | VAL | 0 | 0.062 | 0.022 | 42.592 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ILE | 0 | -0.012 | 0.016 | 45.285 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | TYR | 0 | -0.018 | -0.030 | 43.692 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ILE | 0 | 0.007 | 0.019 | 47.888 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | ASP | -1 | -0.859 | -0.920 | 50.661 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | VAL | 0 | 0.040 | -0.002 | 53.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | ASN | 0 | -0.034 | -0.004 | 55.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ALA | 0 | -0.053 | -0.010 | 56.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | VAL | 0 | -0.015 | 0.002 | 54.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLU | -1 | -0.795 | -0.893 | 57.658 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | ASP | -1 | -0.748 | -0.883 | 58.080 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PHE | 0 | -0.025 | -0.021 | 58.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | HIS | 0 | -0.088 | -0.047 | 60.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.026 | -0.005 | 62.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | SER | 0 | -0.006 | 0.015 | 61.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | GLU | -1 | -0.882 | -0.954 | 63.514 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLU | -1 | -0.853 | -0.901 | 60.217 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | ALA | 0 | 0.051 | 0.005 | 60.689 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | GLN | 0 | 0.004 | 0.001 | 62.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | ALA | 0 | -0.005 | -0.002 | 65.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | TRP | 0 | 0.015 | 0.000 | 57.641 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | TRP | 0 | 0.005 | 0.000 | 60.040 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLN | 0 | -0.022 | -0.011 | 63.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | LEU | 0 | -0.049 | 0.003 | 63.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | PRO | 0 | 0.023 | 0.007 | 65.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | THR | 0 | 0.034 | 0.001 | 62.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | THR | 0 | 0.009 | 0.021 | 60.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | GLN | 0 | -0.001 | -0.018 | 61.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | GLN | 0 | -0.049 | -0.012 | 63.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | THR | 0 | -0.043 | -0.040 | 57.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | LEU | 0 | -0.011 | 0.006 | 58.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLN | 0 | -0.042 | -0.028 | 59.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | GLN | 0 | 0.014 | 0.009 | 59.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | ALA | 0 | 0.024 | 0.024 | 55.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | ARG | 1 | 0.803 | 0.881 | 56.368 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | ASP | -1 | -0.877 | -0.937 | 58.538 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | ALA | 0 | -0.023 | 0.008 | 55.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ASP | -1 | -0.850 | -0.914 | 55.789 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | TRP | 0 | -0.042 | -0.042 | 48.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | VAL | 0 | -0.005 | -0.007 | 48.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ASP | -1 | -0.818 | -0.871 | 49.564 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | TYR | 0 | 0.022 | -0.024 | 45.224 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | SER | 0 | 0.001 | -0.010 | 47.424 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | THR | 0 | -0.037 | -0.044 | 48.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | VAL | 0 | -0.012 | -0.008 | 50.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | THR | 0 | -0.026 | -0.025 | 46.180 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | ALA | 0 | -0.006 | -0.001 | 49.438 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | LEU | 0 | -0.031 | -0.005 | 51.675 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | LYS | 1 | 0.842 | 0.909 | 50.959 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | MET | 0 | 0.000 | 0.010 | 46.886 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | THR | 0 | -0.024 | -0.016 | 51.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ALA | 0 | -0.006 | -0.005 | 54.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | LEU | 0 | 0.005 | -0.009 | 51.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | ARG | 1 | 0.801 | 0.888 | 48.902 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | MET | 0 | -0.050 | -0.009 | 53.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | -0.019 | -0.006 | 55.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | TRP | 0 | -0.026 | -0.030 | 51.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LYS | 1 | 0.801 | 0.884 | 54.954 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLY | 0 | 0.021 | 0.024 | 57.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PHE | 0 | 0.025 | 0.000 | 53.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | -0.020 | -0.020 | 54.614 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | GLN | 0 | -0.075 | -0.035 | 55.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.703 | 0.834 | 58.026 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | ASP | -1 | -0.905 | -0.966 | 58.580 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ASP | -1 | -0.817 | -0.900 | 59.069 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | GLU | -1 | -0.890 | -0.962 | 58.432 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLN | 0 | -0.033 | -0.006 | 56.454 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | MET | 0 | -0.008 | 0.009 | 54.239 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ALA | 0 | -0.024 | -0.015 | 53.506 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | ALA | 0 | 0.012 | 0.000 | 52.620 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | PHE | 0 | -0.039 | -0.014 | 47.617 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ARG | 1 | 0.900 | 0.934 | 48.760 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | GLN | 0 | -0.067 | -0.036 | 48.080 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | PHE | 0 | 0.026 | 0.016 | 43.854 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | VAL | 0 | -0.005 | -0.015 | 43.663 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | ALA | 0 | -0.043 | -0.016 | 42.966 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | GLU | -1 | -0.926 | -0.958 | 42.521 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | GLN | 0 | -0.081 | -0.031 | 40.263 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | GLY | 0 | 0.005 | 0.019 | 38.597 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ASP | -1 | -0.877 | -0.958 | 34.986 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | SER | 0 | -0.041 | -0.015 | 33.709 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | 0.038 | 0.023 | 35.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | PHE | 0 | -0.007 | 0.003 | 37.369 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | TRP | 0 | 0.053 | 0.007 | 33.953 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | GLN | 0 | -0.053 | -0.031 | 36.052 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ALA | 0 | 0.006 | -0.002 | 37.207 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ALA | 0 | 0.029 | 0.001 | 37.598 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | PHE | 0 | -0.032 | -0.008 | 32.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ASP | -1 | -0.845 | -0.920 | 37.065 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | ALA | 0 | -0.032 | -0.012 | 40.045 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | LEU | 0 | -0.035 | -0.010 | 36.156 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | HIS | 0 | -0.040 | -0.026 | 37.307 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ALA | 0 | 0.006 | -0.005 | 39.334 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLN | 0 | 0.002 | 0.004 | 42.308 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | GLN | 0 | 0.017 | 0.009 | 37.387 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | VAL | 0 | -0.006 | -0.007 | 40.456 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | LYS | 1 | 0.836 | 0.922 | 42.203 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | GLU | -1 | -0.992 | -0.979 | 41.575 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | ASP | -1 | -0.849 | -0.942 | 38.631 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLU | -1 | -0.922 | -0.948 | 40.695 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | MET | 0 | -0.047 | -0.020 | 37.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | ARG | 1 | 0.797 | 0.911 | 36.022 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | TRP | 0 | 0.032 | -0.004 | 29.087 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | GLY | 0 | 0.029 | 0.006 | 32.691 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | TRP | 0 | -0.013 | -0.016 | 24.564 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | PRO | 0 | -0.016 | -0.003 | 27.122 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ALA | 0 | -0.032 | -0.002 | 29.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | TRP | 0 | -0.038 | -0.005 | 32.076 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | PRO | 0 | 0.059 | 0.027 | 31.931 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | GLU | -1 | -0.893 | -0.955 | 27.832 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | MET | 0 | -0.031 | 0.007 | 30.181 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | TYR | 0 | 0.004 | -0.009 | 32.526 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | GLN | 0 | -0.033 | -0.015 | 27.512 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | ASN | 0 | 0.005 | 0.002 | 28.233 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | VAL | 0 | 0.037 | 0.021 | 29.649 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | ASP | -1 | -0.824 | -0.907 | 30.401 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | SER | 0 | -0.090 | -0.028 | 31.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | PRO | 0 | 0.000 | -0.014 | 33.231 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLU | -1 | -0.832 | -0.927 | 35.198 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | VAL | 0 | 0.000 | 0.010 | 33.900 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | ARG | 1 | 0.855 | 0.912 | 34.419 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | GLN | 0 | -0.012 | -0.009 | 38.615 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | PHE | 0 | -0.031 | -0.024 | 39.876 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | CYS | 0 | -0.052 | -0.030 | 38.901 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | GLU | -1 | -0.951 | -0.973 | 41.903 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | GLU | -1 | -0.909 | -0.941 | 44.612 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | HIS | 1 | 0.815 | 0.910 | 44.056 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ARG | 1 | 0.876 | 0.918 | 43.809 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | ASP | -1 | -0.772 | -0.874 | 46.437 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | ASP | -1 | -0.828 | -0.894 | 45.785 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | VAL | 0 | -0.029 | -0.019 | 41.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ASP | -1 | -0.783 | -0.874 | 44.321 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | PHE | 0 | 0.006 | 0.012 | 47.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | TYR | 0 | 0.023 | -0.010 | 43.094 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | LEU | 0 | -0.028 | -0.011 | 42.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | TRP | 0 | -0.011 | -0.004 | 44.960 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | LEU | 0 | -0.017 | -0.006 | 46.007 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | GLN | 0 | 0.018 | -0.004 | 41.558 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | TRP | 0 | 0.027 | 0.030 | 44.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | LEU | 0 | 0.011 | 0.023 | 47.682 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | ALA | 0 | -0.029 | -0.018 | 45.715 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | TYR | 0 | -0.017 | -0.022 | 43.898 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | SER | 0 | 0.026 | 0.002 | 46.781 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | GLN | 0 | -0.001 | 0.000 | 50.480 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | PHE | 0 | -0.020 | -0.004 | 45.379 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | ALA | 0 | 0.033 | 0.015 | 49.032 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | ALA | 0 | 0.045 | 0.023 | 50.186 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | CYS | 0 | -0.124 | -0.056 | 50.860 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | TRP | 0 | 0.018 | 0.004 | 49.075 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | GLU | -1 | -0.900 | -0.944 | 51.241 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | ILE | 0 | -0.033 | -0.016 | 54.360 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | SER | 0 | -0.080 | -0.055 | 52.366 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | GLN | 0 | -0.024 | -0.016 | 52.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | GLY | 0 | 0.026 | 0.030 | 55.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | TYR | 0 | -0.091 | -0.055 | 58.128 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | GLU | -1 | -0.980 | -0.978 | 56.874 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | MET | 0 | -0.061 | -0.006 | 53.680 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | PRO | 0 | -0.051 | -0.031 | 52.145 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | ILE | 0 | -0.056 | -0.022 | 46.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | GLY | 0 | 0.088 | 0.037 | 48.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | LEU | 0 | -0.010 | -0.009 | 47.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | TYR | 0 | -0.026 | -0.031 | 41.328 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | ARG | 1 | 0.928 | 0.975 | 40.317 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | ASP | -1 | -0.778 | -0.888 | 37.768 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | LEU | 0 | -0.056 | -0.018 | 32.374 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | ALA | 0 | 0.062 | 0.029 | 33.281 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | VAL | 0 | 0.007 | 0.000 | 27.287 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | GLY | 0 | -0.032 | -0.027 | 27.718 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | VAL | 0 | 0.005 | 0.011 | 27.265 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | ALA | 0 | 0.052 | 0.020 | 27.735 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | GLU | -1 | -0.854 | -0.931 | 25.113 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | GLY | 0 | -0.001 | 0.015 | 26.737 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | GLY | 0 | 0.021 | 0.023 | 29.600 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | ALA | 0 | 0.050 | 0.009 | 30.726 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | GLU | -1 | -0.833 | -0.890 | 28.533 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | THR | 0 | -0.029 | -0.040 | 25.291 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | TRP | 0 | -0.042 | -0.002 | 26.373 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | CYS | 0 | -0.024 | -0.015 | 28.542 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ASP | -1 | -0.723 | -0.821 | 25.345 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | ARG | 1 | 0.813 | 0.885 | 22.104 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | GLU | -1 | -0.929 | -0.947 | 19.624 | 0.384 | 0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | LEU | 0 | -0.022 | -0.006 | 19.837 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | TYR | 0 | -0.031 | -0.027 | 21.138 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | CYS | 0 | -0.097 | -0.040 | 15.592 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | LEU | 0 | 0.038 | 0.005 | 18.225 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | LYS | 1 | 0.824 | 0.910 | 12.543 | -0.760 | -0.760 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | ALA | 0 | -0.023 | -0.014 | 16.125 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | SER | 0 | 0.006 | 0.010 | 18.029 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | VAL | 0 | -0.021 | -0.013 | 20.913 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | GLY | 0 | 0.033 | 0.012 | 22.895 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | ALA | 0 | -0.052 | -0.017 | 24.797 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | PRO | 0 | -0.002 | 0.002 | 22.462 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | PRO | 0 | -0.028 | -0.013 | 22.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | ASP | -1 | -0.864 | -0.931 | 25.854 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | ILE | 0 | -0.037 | -0.049 | 28.603 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | LEU | 0 | -0.042 | 0.002 | 31.822 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | GLY | 0 | 0.038 | 0.018 | 31.469 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | PRO | 0 | -0.021 | -0.019 | 28.723 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | LEU | 0 | -0.008 | -0.008 | 26.994 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | GLY | 0 | 0.009 | 0.020 | 25.752 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | GLN | 0 | -0.013 | 0.001 | 26.414 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | ASN | 0 | 0.037 | -0.009 | 22.913 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | TRP | 0 | -0.019 | -0.035 | 25.978 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | GLY | 0 | 0.033 | 0.035 | 25.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | LEU | 0 | -0.023 | 0.000 | 25.353 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | PRO | 0 | 0.014 | 0.028 | 21.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | PRO | 0 | -0.004 | 0.010 | 18.698 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | MET | 0 | 0.015 | 0.015 | 20.633 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | ASP | -1 | -0.680 | -0.839 | 15.800 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | PRO | 0 | 0.013 | 0.005 | 15.730 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | HIS | 0 | -0.008 | -0.021 | 12.293 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | ILE | 0 | -0.010 | 0.008 | 16.611 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | ILE | 0 | 0.004 | 0.007 | 19.559 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | THR | 0 | -0.007 | -0.003 | 18.734 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | ALA | 0 | -0.018 | 0.007 | 18.881 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | ARG | 1 | 0.740 | 0.811 | 20.897 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | ALA | 0 | -0.024 | -0.007 | 23.878 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | TYR | 0 | -0.028 | -0.070 | 23.375 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | GLU | -1 | -0.817 | -0.880 | 26.246 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | PRO | 0 | 0.043 | 0.015 | 24.801 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | PHE | 0 | -0.022 | -0.020 | 26.731 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | ILE | 0 | -0.002 | 0.001 | 28.598 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | GLU | -1 | -0.786 | -0.862 | 31.504 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | LEU | 0 | -0.016 | 0.011 | 29.354 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | LEU | 0 | 0.002 | -0.001 | 32.207 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | ARG | 1 | 0.848 | 0.881 | 34.636 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | ALA | 0 | 0.000 | 0.033 | 35.918 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | ASN | 0 | -0.085 | -0.077 | 35.028 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | MET | 0 | -0.013 | 0.002 | 36.555 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | GLN | 0 | 0.006 | 0.021 | 40.116 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | ASN | 0 | 0.000 | -0.011 | 42.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | CYS | 0 | -0.058 | -0.020 | 43.041 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | GLY | 0 | 0.104 | 0.072 | 44.810 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | ALA | 0 | -0.068 | -0.054 | 42.881 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | LEU | 0 | 0.005 | 0.004 | 36.099 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | ARG | 1 | 0.803 | 0.885 | 36.742 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | ILE | 0 | -0.012 | -0.014 | 31.626 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | ASP | -1 | -0.741 | -0.874 | 32.295 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | HIS | 0 | 0.014 | 0.006 | 25.770 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | VAL | 0 | 0.015 | 0.028 | 29.108 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | MET | 0 | -0.033 | -0.027 | 25.816 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | SER | 0 | -0.028 | -0.023 | 24.961 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | MET | 0 | -0.018 | 0.001 | 24.099 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 454 | LEU | 0 | -0.058 | -0.019 | 22.342 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 455 | ARG | 1 | 0.894 | 0.947 | 20.045 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 456 | LEU | 0 | 0.036 | 0.033 | 20.074 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 457 | TRP | 0 | -0.075 | -0.016 | 19.180 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 458 | TRP | 0 | 0.011 | -0.010 | 14.448 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 459 | ILE | 0 | 0.010 | 0.003 | 17.530 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 460 | PRO | 0 | -0.016 | -0.007 | 13.774 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 461 | TYR | 0 | -0.068 | -0.061 | 16.028 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 462 | GLY | 0 | 0.000 | 0.005 | 18.350 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 463 | GLU | -1 | -0.815 | -0.871 | 16.429 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 464 | THR | 0 | -0.028 | -0.049 | 19.922 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 465 | ALA | 0 | 0.048 | 0.014 | 20.237 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 466 | ASP | -1 | -0.832 | -0.887 | 20.337 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 467 | GLN | 0 | -0.087 | -0.039 | 15.684 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 468 | GLY | 0 | 0.029 | 0.021 | 15.649 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 469 | ALA | 0 | -0.016 | -0.030 | 14.753 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 470 | TYR | 0 | -0.016 | -0.005 | 16.723 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 471 | VAL | 0 | 0.009 | 0.013 | 14.071 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 472 | HIS | 0 | -0.024 | -0.040 | 15.965 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 473 | TYR | 0 | 0.001 | -0.007 | 17.378 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 474 | PRO | 0 | 0.019 | 0.017 | 19.860 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 475 | VAL | 0 | 0.036 | 0.005 | 21.865 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 476 | ASP | -1 | -0.857 | -0.914 | 24.839 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 477 | ASP | -1 | -0.796 | -0.871 | 24.930 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 478 | LEU | 0 | 0.008 | 0.008 | 23.685 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 479 | LEU | 0 | 0.003 | -0.003 | 27.676 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 480 | SER | 0 | -0.082 | -0.035 | 29.986 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 481 | ILE | 0 | 0.001 | 0.000 | 28.103 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 482 | LEU | 0 | 0.008 | 0.008 | 31.540 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 483 | ALA | 0 | -0.005 | -0.015 | 33.318 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 484 | LEU | 0 | -0.031 | -0.024 | 34.495 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 485 | GLU | -1 | -0.697 | -0.810 | 34.672 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 486 | SER | 0 | 0.010 | -0.007 | 37.219 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 487 | LYS | 1 | 0.811 | 0.864 | 39.138 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 488 | ARG | 1 | 0.763 | 0.846 | 38.415 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 489 | HIS | 0 | 0.000 | 0.005 | 38.246 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 490 | ARG | 1 | 0.872 | 0.947 | 42.865 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 491 | CYS | 0 | -0.005 | 0.012 | 41.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 492 | MET | 0 | -0.038 | 0.026 | 40.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 493 | VAL | 0 | 0.044 | 0.015 | 35.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 494 | ILE | 0 | -0.046 | -0.028 | 38.777 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 495 | GLY | 0 | 0.019 | -0.010 | 34.995 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 496 | GLU | -1 | -0.897 | -0.947 | 33.650 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 497 | ASP | -1 | -0.745 | -0.853 | 33.100 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 498 | LEU | 0 | -0.022 | 0.005 | 34.168 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 499 | GLY | 0 | 0.032 | 0.021 | 32.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 500 | THR | 0 | -0.035 | -0.026 | 29.132 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 501 | VAL | 0 | 0.049 | 0.017 | 29.578 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 502 | PRO | 0 | -0.007 | 0.001 | 26.043 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 503 | VAL | 0 | 0.052 | 0.006 | 29.158 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 504 | GLU | -1 | -0.923 | -0.966 | 26.258 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 505 | ILE | 0 | 0.039 | 0.008 | 25.913 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 506 | VAL | 0 | 0.028 | 0.023 | 29.962 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 507 | GLY | 0 | -0.024 | -0.009 | 33.341 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 508 | LYS | 1 | 0.844 | 0.911 | 26.333 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 509 | LEU | 0 | 0.076 | 0.057 | 31.177 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 510 | ARG | 1 | 0.977 | 1.003 | 33.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 511 | SER | 0 | -0.019 | -0.019 | 35.253 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 512 | SER | 0 | 0.016 | -0.018 | 33.603 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 513 | GLY | 0 | -0.014 | 0.008 | 35.997 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 514 | VAL | 0 | 0.028 | 0.030 | 34.211 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 515 | TYR | 0 | -0.079 | -0.057 | 37.607 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 516 | SER | 0 | -0.058 | -0.057 | 37.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 517 | TYR | 0 | 0.043 | 0.013 | 38.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 518 | LYS | 1 | 0.824 | 0.914 | 38.317 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 519 | VAL | 0 | 0.062 | 0.039 | 41.160 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 520 | LEU | 0 | 0.000 | 0.003 | 43.659 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 521 | TYR | 0 | -0.059 | -0.064 | 44.448 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 522 | PHE | 0 | 0.023 | 0.004 | 39.431 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 523 | GLU | -1 | -0.825 | -0.870 | 41.790 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 524 | ASN | 0 | -0.080 | -0.046 | 44.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 525 | ASP | -1 | -0.819 | -0.891 | 43.345 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 526 | HIS | 0 | -0.048 | -0.048 | 41.165 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 527 | GLU | -1 | -0.923 | -0.945 | 43.865 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 528 | LYS | 1 | 0.822 | 0.906 | 44.363 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 529 | THR | 0 | -0.037 | -0.022 | 48.293 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 530 | PHE | 0 | -0.016 | -0.016 | 48.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 531 | ARG | 1 | 0.772 | 0.879 | 42.044 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 532 | ALA | 0 | -0.014 | 0.005 | 48.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 533 | PRO | 0 | 0.087 | 0.039 | 50.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 534 | LYS | 1 | 0.909 | 0.939 | 50.985 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 535 | ALA | 0 | -0.019 | 0.006 | 48.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 536 | TYR | 0 | 0.015 | 0.016 | 46.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 537 | PRO | 0 | -0.010 | -0.006 | 42.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 538 | GLU | -1 | -0.775 | -0.864 | 45.381 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 539 | GLN | 0 | -0.084 | -0.034 | 39.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 540 | SER | 0 | -0.043 | -0.041 | 41.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 541 | MET | 0 | 0.004 | 0.034 | 42.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 542 | ALA | 0 | -0.007 | 0.007 | 43.786 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 543 | VAL | 0 | 0.015 | 0.006 | 43.889 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 544 | ALA | 0 | 0.012 | -0.003 | 46.570 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 545 | ALA | 0 | 0.001 | -0.004 | 45.335 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 546 | THR | 0 | 0.028 | 0.003 | 40.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 547 | HIS | 0 | 0.047 | 0.009 | 38.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 548 | ASP | -1 | -0.856 | -0.909 | 37.857 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 549 | LEU | 0 | -0.087 | -0.034 | 40.567 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 550 | PRO | 0 | 0.018 | 0.010 | 43.666 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 551 | THR | 0 | 0.040 | 0.010 | 47.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 552 | LEU | 0 | -0.010 | -0.012 | 50.219 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 553 | ARG | 1 | 0.729 | 0.828 | 52.466 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 554 | GLY | 0 | 0.075 | 0.043 | 50.850 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 555 | TYR | 0 | 0.000 | -0.011 | 47.317 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 556 | TRP | 0 | -0.045 | -0.034 | 50.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 557 | GLU | -1 | -0.886 | -0.946 | 53.602 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 558 | CYS | 0 | -0.039 | -0.004 | 50.111 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 559 | GLY | 0 | 0.044 | 0.029 | 50.295 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 560 | ASP | -1 | -0.751 | -0.853 | 45.293 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 561 | LEU | 0 | -0.021 | 0.001 | 44.937 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 562 | THR | 0 | 0.013 | -0.002 | 47.052 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 563 | LEU | 0 | 0.014 | 0.021 | 47.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 564 | GLY | 0 | 0.060 | 0.017 | 44.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 565 | LYS | 1 | 0.814 | 0.906 | 44.811 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 566 | THR | 0 | -0.067 | -0.039 | 46.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 567 | LEU | 0 | -0.045 | -0.016 | 44.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 568 | GLY | 0 | -0.016 | -0.001 | 43.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 569 | LEU | 0 | -0.002 | 0.001 | 39.910 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 570 | TYR | 0 | -0.018 | -0.004 | 40.147 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 571 | PRO | 0 | 0.016 | 0.006 | 39.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 572 | ASP | -1 | -0.844 | -0.920 | 40.025 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 573 | GLU | -1 | -0.784 | -0.900 | 42.239 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 574 | VAL | 0 | -0.037 | -0.014 | 43.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 575 | VAL | 0 | 0.026 | 0.007 | 39.040 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 576 | LEU | 0 | -0.004 | 0.006 | 42.301 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 577 | ARG | 1 | 0.834 | 0.899 | 44.936 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 578 | GLY | 0 | 0.033 | 0.026 | 44.345 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 579 | LEU | 0 | 0.027 | 0.014 | 40.939 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 580 | TYR | 0 | 0.008 | -0.003 | 45.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 581 | GLN | 0 | -0.051 | -0.026 | 48.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 582 | ASP | -1 | -0.826 | -0.892 | 44.535 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 583 | ARG | 1 | 0.801 | 0.866 | 45.339 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 584 | GLU | -1 | -0.844 | -0.923 | 48.690 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 585 | LEU | 0 | -0.028 | -0.016 | 48.830 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 586 | ALA | 0 | 0.039 | 0.028 | 47.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 587 | LYS | 1 | 0.800 | 0.877 | 49.774 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 588 | GLN | 0 | -0.033 | -0.026 | 52.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 589 | GLY | 0 | 0.093 | 0.060 | 52.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 590 | LEU | 0 | -0.033 | -0.004 | 50.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 591 | LEU | 0 | -0.038 | -0.026 | 53.248 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 592 | ASP | -1 | -0.891 | -0.952 | 56.002 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 593 | ALA | 0 | 0.009 | 0.006 | 53.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 594 | LEU | 0 | -0.010 | -0.008 | 55.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 595 | HIS | 0 | -0.045 | -0.038 | 57.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 596 | LYS | 1 | 0.893 | 0.970 | 55.640 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 597 | TYR | 0 | -0.010 | -0.016 | 53.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 598 | GLY | 0 | 0.015 | 0.029 | 58.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 599 | CYS | 0 | -0.022 | -0.008 | 58.133 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 600 | LEU | 0 | -0.018 | -0.011 | 60.228 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 601 | PRO | 0 | -0.047 | -0.030 | 63.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 602 | LYS | 1 | 1.011 | 0.995 | 66.433 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 603 | ARG | 1 | 0.959 | 0.972 | 67.878 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 604 | ALA | 0 | -0.025 | 0.009 | 64.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 605 | GLY | 0 | 0.064 | 0.036 | 65.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 606 | HIS | 1 | 0.932 | 0.951 | 62.586 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 607 | LYS | 1 | 0.930 | 0.982 | 58.168 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 608 | ALA | 0 | 0.051 | 0.009 | 56.907 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 609 | SER | 0 | 0.049 | 0.029 | 57.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 610 | LEU | 0 | -0.063 | -0.027 | 58.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 611 | MET | 0 | -0.047 | -0.004 | 60.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 612 | SER | 0 | 0.059 | 0.050 | 59.769 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 613 | MET | 0 | 0.024 | 0.026 | 55.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 614 | THR | 0 | 0.009 | -0.005 | 60.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 615 | PRO | 0 | 0.122 | 0.042 | 61.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 616 | THR | 0 | -0.091 | -0.053 | 62.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 617 | LEU | 0 | 0.012 | 0.011 | 57.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 618 | ASN | 0 | 0.058 | 0.019 | 57.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 619 | ARG | 1 | 0.967 | 0.994 | 57.440 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 620 | GLY | 0 | -0.027 | -0.015 | 58.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 621 | LEU | 0 | 0.040 | 0.009 | 53.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 622 | GLN | 0 | 0.023 | 0.007 | 53.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 623 | ARG | 1 | 0.729 | 0.821 | 54.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 624 | TYR | 0 | 0.019 | -0.010 | 50.861 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 625 | ILE | 0 | 0.021 | 0.012 | 49.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 626 | ALA | 0 | -0.023 | 0.013 | 51.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 627 | ASP | -1 | -0.827 | -0.899 | 54.381 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 628 | SER | 0 | -0.110 | -0.066 | 50.034 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 629 | ASN | 0 | -0.009 | -0.017 | 48.928 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 630 | SER | 0 | 0.016 | 0.012 | 45.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 631 | ALA | 0 | 0.035 | 0.029 | 47.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 632 | LEU | 0 | -0.014 | -0.001 | 44.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 633 | LEU | 0 | 0.012 | 0.003 | 47.859 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 634 | GLY | 0 | 0.028 | -0.012 | 47.548 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 635 | LEU | 0 | -0.066 | -0.033 | 48.587 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 636 | GLN | 0 | 0.018 | 0.006 | 46.975 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 637 | PRO | 0 | 0.062 | 0.021 | 50.827 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 638 | GLU | -1 | -0.790 | -0.899 | 49.806 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 639 | ASP | -1 | -0.821 | -0.913 | 51.341 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 640 | TRP | 0 | -0.045 | -0.031 | 54.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 641 | LEU | 0 | -0.017 | -0.010 | 56.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 642 | ASP | -1 | -0.877 | -0.897 | 57.347 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 643 | MET | 0 | 0.011 | 0.045 | 53.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 644 | ALA | 0 | 0.021 | 0.019 | 54.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 645 | GLU | -1 | -0.897 | -0.937 | 51.341 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 646 | PRO | 0 | 0.009 | 0.016 | 45.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 647 | VAL | 0 | 0.005 | 0.009 | 44.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 648 | ASN | 0 | -0.012 | -0.023 | 38.490 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 649 | ILE | 0 | 0.004 | 0.021 | 40.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 650 | PRO | 0 | 0.030 | 0.019 | 36.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 651 | GLY | 0 | -0.005 | 0.001 | 34.867 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 652 | THR | 0 | -0.072 | -0.028 | 35.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 653 | SER | 0 | -0.013 | -0.010 | 35.739 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 654 | TYR | 0 | 0.026 | -0.001 | 37.692 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 655 | GLN | 0 | 0.021 | 0.019 | 38.635 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 656 | TYR | 0 | 0.014 | -0.018 | 42.846 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 657 | LYS | 1 | 0.871 | 0.964 | 43.541 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 658 | ASN | 0 | 0.052 | 0.008 | 40.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 659 | TRP | 0 | 0.024 | 0.004 | 38.209 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 660 | ARG | 1 | 0.833 | 0.893 | 42.763 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 661 | ARG | 1 | 0.802 | 0.903 | 47.710 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 662 | LYS | 1 | 0.824 | 0.915 | 50.198 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 663 | LEU | 0 | -0.014 | -0.012 | 52.493 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 664 | SER | 0 | 0.001 | -0.024 | 54.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 665 | ALA | 0 | -0.010 | 0.000 | 58.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 666 | THR | 0 | 0.015 | 0.014 | 58.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 667 | LEU | 0 | 0.012 | -0.009 | 56.030 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 668 | GLU | -1 | -0.829 | -0.923 | 60.005 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 669 | SER | 0 | 0.014 | 0.004 | 63.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 670 | MET | 0 | -0.019 | 0.001 | 56.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 671 | PHE | 0 | -0.011 | -0.017 | 57.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 672 | ALA | 0 | 0.008 | 0.022 | 63.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 673 | ASP | -1 | -0.822 | -0.899 | 64.525 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 674 | ASP | -1 | -0.842 | -0.894 | 66.150 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 675 | GLY | 0 | 0.013 | 0.005 | 65.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 676 | VAL | 0 | 0.034 | 0.019 | 60.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 677 | ASN | 0 | -0.027 | -0.024 | 62.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 678 | LYS | 1 | 0.757 | 0.849 | 64.564 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 679 | LEU | 0 | -0.032 | -0.004 | 58.284 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 680 | LEU | 0 | 0.045 | 0.019 | 57.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 681 | LYS | 1 | 0.986 | 1.001 | 60.664 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 682 | ASP | -1 | -0.889 | -0.902 | 62.156 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 683 | LEU | 0 | 0.037 | 0.005 | 56.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 684 | ASP | -1 | -0.747 | -0.828 | 58.406 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 685 | ARG | 1 | 0.936 | 0.961 | 59.609 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 686 | ARG | 1 | 0.800 | 0.871 | 58.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 687 | ARG | 1 | 0.801 | 0.910 | 50.848 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 688 | ARG | 1 | 0.821 | 0.886 | 57.241 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 689 | SER | 0 | -0.070 | -0.036 | 59.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 690 | ALA | 0 | -0.043 | -0.006 | 55.473 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 691 | HIS | 0 | -0.016 | 0.007 | 55.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |