FMODB ID: 2NJJR
Calculation Name: 2ODR-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2ODR
Chain ID: D
UniProt ID: Q6LZE1
Base Structure: X-ray
Registration Date: 2023-09-21
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 | 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 | 451 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -5912259.527704 |
---|---|
FMO2-HF: Nuclear repulsion | 5748910.462282 |
FMO2-HF: Total energy | -163349.065423 |
FMO2-MP2: Total energy | -163824.691728 |
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(D:4:ARG)
Summations of interaction energy for
fragment #1(D:4:ARG)
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. |
-0.938 | 4.463 | 1.284 | -2.327 | -4.359 | -0.005 |
Interaction energy analysis for fragmet #1(D:4:ARG)
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 | D | 6 | GLU | -1 | -0.910 | -0.949 | 2.570 | -28.964 | -25.609 | 0.243 | -1.443 | -2.155 | -0.002 |
4 | D | 7 | ILE | 0 | -0.011 | -0.008 | 2.401 | 1.874 | 3.170 | 1.009 | -0.701 | -1.605 | -0.002 |
5 | D | 8 | ILE | 0 | -0.020 | 0.000 | 3.197 | 2.678 | 3.428 | 0.032 | -0.183 | -0.599 | -0.001 |
6 | D | 9 | GLU | -1 | -0.906 | -0.956 | 6.669 | -22.948 | -22.948 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 10 | MET | 0 | -0.062 | -0.027 | 6.621 | 3.609 | 3.609 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 11 | ALA | 0 | -0.004 | -0.017 | 8.638 | 2.367 | 2.367 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 12 | ASN | 0 | -0.038 | -0.022 | 10.365 | 1.427 | 1.427 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 13 | LYS | 1 | 0.861 | 0.947 | 12.314 | 19.728 | 19.728 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 14 | ASP | -1 | -0.874 | -0.957 | 13.346 | -15.062 | -15.062 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 15 | PHE | 0 | 0.053 | 0.036 | 11.706 | -1.006 | -1.006 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 16 | GLU | -1 | -0.887 | -0.951 | 12.920 | -15.314 | -15.314 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 17 | LYS | 1 | 0.964 | 0.992 | 12.771 | 17.343 | 17.343 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 18 | ALA | 0 | 0.023 | 0.021 | 9.019 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 19 | TRP | 0 | -0.093 | -0.042 | 9.875 | -0.976 | -0.976 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 20 | ILE | 0 | -0.031 | -0.016 | 12.049 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 21 | GLU | -1 | -0.958 | -0.997 | 11.303 | -17.905 | -17.905 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 22 | THR | 0 | -0.021 | -0.001 | 7.450 | -1.477 | -1.477 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 23 | LYS | 1 | 0.920 | 0.971 | 9.556 | 14.697 | 14.697 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 24 | ASP | -1 | -0.922 | -0.967 | 12.532 | -16.619 | -16.619 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 25 | LEU | 0 | -0.052 | -0.018 | 5.544 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 26 | ILE | 0 | -0.054 | -0.027 | 9.845 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 27 | LYS | 1 | 0.957 | 0.987 | 11.432 | 21.367 | 21.367 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 28 | ALA | 0 | 0.023 | 0.017 | 14.933 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 29 | LYS | 1 | 0.941 | 0.962 | 18.304 | 14.534 | 14.534 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 30 | LYS | 1 | 1.024 | 1.019 | 20.352 | 12.473 | 12.473 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 31 | ILE | 0 | 0.091 | 0.054 | 23.517 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 32 | ASN | 0 | 0.007 | -0.015 | 26.628 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 33 | GLU | -1 | -0.946 | -0.986 | 23.875 | -11.802 | -11.802 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 34 | SER | 0 | -0.032 | -0.011 | 24.315 | -0.361 | -0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 35 | TYR | 0 | 0.033 | 0.005 | 25.324 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 36 | PRO | 0 | 0.029 | 0.028 | 27.112 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 37 | ARG | 1 | 0.883 | 0.940 | 28.232 | 10.194 | 10.194 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 38 | ILE | 0 | -0.024 | 0.020 | 23.508 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 39 | LYS | 1 | 0.948 | 0.964 | 28.103 | 9.497 | 9.497 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 40 | PRO | 0 | -0.006 | -0.003 | 28.527 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 41 | VAL | 0 | -0.016 | -0.015 | 29.030 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 42 | PHE | 0 | 0.017 | 0.014 | 29.675 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 43 | GLY | 0 | 0.021 | 0.011 | 32.038 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 44 | LYS | 1 | 0.901 | 0.947 | 34.994 | 8.669 | 8.669 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 45 | THR | 0 | -0.002 | -0.008 | 38.266 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 46 | HIS | 0 | 0.008 | 0.012 | 41.364 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 47 | PRO | 0 | 0.092 | 0.048 | 45.147 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 48 | VAL | 0 | 0.014 | 0.004 | 47.388 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 49 | ASN | 0 | -0.024 | -0.031 | 45.758 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 50 | ASP | -1 | -0.786 | -0.872 | 43.331 | -7.492 | -7.492 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 51 | THR | 0 | -0.056 | -0.020 | 46.095 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 52 | ILE | 0 | -0.031 | -0.025 | 49.400 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 53 | GLU | -1 | -0.838 | -0.920 | 43.995 | -7.045 | -7.045 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 54 | ASN | 0 | 0.015 | -0.015 | 45.927 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 55 | LEU | 0 | -0.020 | -0.011 | 48.261 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 56 | ARG | 1 | 0.802 | 0.887 | 46.072 | 6.781 | 6.781 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 57 | GLN | 0 | -0.039 | -0.009 | 45.607 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 58 | ALA | 0 | -0.007 | 0.009 | 48.925 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 59 | TYR | 0 | 0.019 | -0.028 | 51.843 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 60 | LEU | 0 | -0.007 | 0.000 | 48.115 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 61 | ARG | 1 | 0.931 | 0.973 | 44.610 | 6.949 | 6.949 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 62 | MET | 0 | -0.109 | 0.000 | 51.601 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 63 | GLY | 0 | -0.016 | -0.012 | 53.902 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 64 | PHE | 0 | -0.073 | -0.030 | 55.177 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 65 | GLU | -1 | -0.842 | -0.920 | 54.619 | -5.682 | -5.682 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 66 | GLU | -1 | -0.842 | -0.918 | 51.044 | -6.257 | -6.257 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 67 | TYR | 0 | -0.011 | -0.016 | 54.939 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 68 | ILE | 0 | 0.021 | 0.021 | 53.295 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 69 | ASN | 0 | -0.009 | 0.022 | 57.541 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 70 | PRO | 0 | 0.020 | 0.000 | 60.732 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 71 | VAL | 0 | 0.038 | 0.014 | 59.134 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 72 | ILE | 0 | -0.021 | -0.007 | 62.549 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 73 | VAL | 0 | -0.013 | 0.007 | 65.453 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 74 | ASP | -1 | -0.836 | -0.929 | 68.557 | -4.343 | -4.343 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 75 | GLU | -1 | -0.816 | -0.912 | 71.888 | -4.143 | -4.143 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 76 | ARG | 1 | 0.937 | 0.958 | 74.857 | 4.165 | 4.165 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 77 | ASP | -1 | -0.848 | -0.931 | 72.119 | -4.410 | -4.410 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 78 | ILE | 0 | 0.034 | 0.022 | 70.996 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 79 | TYR | 0 | 0.012 | -0.002 | 74.425 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 80 | LYS | 1 | 0.805 | 0.918 | 75.748 | 4.306 | 4.306 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 81 | GLN | 0 | -0.033 | -0.019 | 70.683 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 82 | PHE | 0 | 0.019 | 0.009 | 71.000 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 83 | GLY | 0 | 0.006 | 0.013 | 76.984 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 84 | PRO | 0 | -0.017 | -0.027 | 80.667 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 85 | GLU | -1 | -0.841 | -0.930 | 77.205 | -4.184 | -4.184 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 86 | ALA | 0 | 0.004 | 0.015 | 77.180 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 87 | MET | 0 | 0.014 | 0.007 | 77.594 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 88 | ALA | 0 | 0.001 | 0.005 | 77.402 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 89 | VAL | 0 | -0.009 | -0.007 | 72.137 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 90 | LEU | 0 | 0.007 | -0.011 | 73.464 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 91 | ASP | -1 | -0.912 | -0.941 | 74.840 | -4.264 | -4.264 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 92 | ARG | 1 | 0.823 | 0.914 | 71.281 | 4.358 | 4.358 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 93 | CYS | 0 | 0.013 | 0.020 | 69.958 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 94 | PHE | 0 | -0.023 | -0.023 | 65.137 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 95 | TYR | 0 | -0.049 | -0.036 | 69.115 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 96 | LEU | 0 | 0.002 | 0.000 | 65.139 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 97 | ALA | 0 | -0.012 | 0.027 | 68.913 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 98 | GLY | 0 | 0.019 | 0.006 | 68.441 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 99 | LEU | 0 | -0.033 | -0.013 | 67.904 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 100 | PRO | 0 | 0.017 | 0.030 | 70.926 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 101 | ARG | 1 | 0.834 | 0.896 | 66.857 | 4.634 | 4.634 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 171 | PHE | 0 | 0.017 | 0.012 | 73.765 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 172 | LYS | 1 | 0.780 | 0.884 | 66.815 | 4.723 | 4.723 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 173 | ASP | -1 | -0.865 | -0.924 | 71.782 | -4.367 | -4.367 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 174 | LEU | 0 | -0.041 | -0.008 | 71.755 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 175 | THR | 0 | 0.001 | -0.004 | 72.727 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 176 | ALA | 0 | -0.040 | -0.019 | 70.570 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 177 | VAL | 0 | 0.028 | 0.005 | 72.588 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 178 | SER | 0 | -0.034 | -0.031 | 73.203 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 179 | SER | 0 | 0.003 | -0.051 | 71.152 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 180 | LYS | 1 | 0.919 | 0.966 | 73.777 | 4.142 | 4.142 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 181 | LEU | 0 | 0.077 | 0.051 | 68.748 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 182 | THR | 0 | 0.017 | 0.011 | 69.074 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 183 | LEU | 0 | -0.046 | -0.014 | 63.023 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 184 | ARG | 1 | 0.830 | 0.915 | 59.280 | 5.335 | 5.335 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 185 | SER | 0 | 0.050 | 0.027 | 64.407 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 186 | HIS | 0 | 0.000 | 0.006 | 65.414 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 187 | MET | 0 | 0.045 | 0.011 | 59.860 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 188 | THR | 0 | -0.015 | 0.011 | 64.037 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 189 | SER | 0 | -0.014 | -0.023 | 67.058 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 190 | GLY | 0 | 0.006 | -0.006 | 64.698 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 191 | TRP | 0 | 0.004 | -0.002 | 59.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 192 | PHE | 0 | 0.010 | 0.007 | 66.077 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 193 | LEU | 0 | -0.029 | -0.011 | 67.083 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 194 | THR | 0 | -0.007 | -0.031 | 62.421 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 195 | VAL | 0 | 0.002 | -0.014 | 65.606 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 196 | SER | 0 | -0.040 | -0.020 | 67.421 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 197 | ASP | -1 | -0.854 | -0.925 | 66.917 | -4.693 | -4.693 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 198 | LEU | 0 | -0.053 | -0.030 | 62.764 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 199 | MET | 0 | 0.018 | 0.014 | 66.969 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 200 | ASN | 0 | -0.039 | -0.022 | 70.219 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 201 | LYS | 1 | 0.840 | 0.941 | 65.669 | 4.851 | 4.851 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 202 | LYS | 1 | 0.813 | 0.919 | 59.584 | 5.318 | 5.318 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 203 | PRO | 0 | 0.000 | 0.001 | 63.663 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 204 | LEU | 0 | 0.004 | 0.031 | 65.012 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 205 | PRO | 0 | 0.017 | -0.004 | 64.509 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 206 | PHE | 0 | 0.010 | -0.024 | 62.565 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 207 | LYS | 1 | 0.955 | 0.991 | 59.569 | 5.440 | 5.440 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 208 | LEU | 0 | 0.003 | 0.015 | 59.243 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 209 | PHE | 0 | 0.012 | -0.002 | 52.005 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 210 | SER | 0 | 0.048 | 0.001 | 56.044 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 211 | ILE | 0 | -0.055 | -0.007 | 52.546 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 212 | ASP | -1 | -0.788 | -0.859 | 54.439 | -5.772 | -5.772 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 213 | ARG | 1 | 0.838 | 0.909 | 52.903 | 5.918 | 5.918 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 214 | CYS | 0 | -0.061 | -0.025 | 57.657 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 215 | PHE | 0 | 0.010 | -0.011 | 58.845 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 216 | ARG | 1 | 0.992 | 0.998 | 63.578 | 4.773 | 4.773 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 217 | ARG | 1 | 0.878 | 0.968 | 66.310 | 4.395 | 4.395 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 218 | GLU | -1 | -0.902 | -0.972 | 65.918 | -4.733 | -4.733 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 219 | GLN | 0 | -0.051 | -0.034 | 68.416 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 220 | LYS | 1 | 0.957 | 0.959 | 67.480 | 4.653 | 4.653 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 221 | GLU | -1 | -0.850 | -0.888 | 61.223 | -5.284 | -5.284 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 222 | ASP | -1 | -0.845 | -0.948 | 63.067 | -4.923 | -4.923 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 223 | LYS | 1 | 1.008 | 1.013 | 60.187 | 5.017 | 5.017 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 224 | SER | 0 | -0.069 | -0.028 | 60.230 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 225 | HIS | 1 | 0.859 | 0.934 | 62.747 | 4.936 | 4.936 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 226 | LEU | 0 | 0.046 | 0.020 | 57.701 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 227 | MET | 0 | 0.020 | 0.020 | 61.990 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 228 | THR | 0 | -0.054 | -0.018 | 58.017 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | D | 229 | TYR | 0 | -0.030 | -0.025 | 57.793 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | D | 230 | HIS | 1 | 0.846 | 0.879 | 53.115 | 5.955 | 5.955 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | D | 231 | SER | 0 | -0.044 | -0.013 | 57.126 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | D | 232 | ALA | 0 | 0.071 | 0.021 | 55.944 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | D | 233 | SER | 0 | -0.031 | -0.004 | 57.761 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | D | 234 | CYS | 0 | 0.012 | 0.027 | 59.313 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | D | 235 | ALA | 0 | 0.004 | 0.005 | 61.295 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 236 | ILE | 0 | 0.023 | 0.014 | 62.856 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 237 | ALA | 0 | -0.005 | 0.009 | 65.406 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 238 | GLY | 0 | 0.051 | -0.001 | 67.488 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 239 | GLU | -1 | -0.885 | -0.946 | 69.808 | -4.291 | -4.291 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 240 | GLY | 0 | -0.054 | -0.027 | 71.523 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 241 | VAL | 0 | -0.043 | 0.012 | 68.708 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 242 | ASP | -1 | -0.826 | -0.923 | 70.843 | -4.434 | -4.434 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 243 | ILE | 0 | 0.000 | -0.016 | 70.465 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 244 | ASN | 0 | -0.085 | -0.052 | 69.732 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 245 | ASP | -1 | -0.792 | -0.896 | 66.553 | -4.898 | -4.898 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 246 | GLY | 0 | -0.016 | -0.023 | 65.348 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 247 | LYS | 1 | 0.906 | 0.948 | 65.162 | 4.499 | 4.499 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 248 | ALA | 0 | 0.053 | 0.034 | 63.681 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 249 | ILE | 0 | 0.005 | -0.013 | 59.853 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 250 | ALA | 0 | -0.017 | -0.007 | 60.169 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 251 | GLU | -1 | -0.919 | -0.949 | 60.075 | -5.355 | -5.355 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 252 | GLY | 0 | 0.023 | 0.011 | 57.774 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 253 | LEU | 0 | 0.012 | -0.004 | 55.855 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 254 | LEU | 0 | -0.019 | -0.013 | 55.274 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 255 | SER | 0 | -0.007 | -0.015 | 56.098 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 256 | GLN | 0 | -0.090 | -0.051 | 51.518 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 257 | PHE | 0 | -0.064 | -0.037 | 51.045 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | D | 258 | GLY | 0 | -0.020 | -0.014 | 52.401 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 259 | PHE | 0 | -0.040 | -0.018 | 53.071 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | D | 260 | THR | 0 | -0.035 | -0.018 | 56.559 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | D | 261 | ASN | 0 | 0.025 | 0.012 | 58.478 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 262 | PHE | 0 | 0.046 | -0.009 | 58.917 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 263 | LYS | 1 | 0.917 | 0.970 | 64.552 | 4.750 | 4.750 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 264 | PHE | 0 | 0.016 | -0.005 | 65.357 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 265 | ILE | 0 | 0.019 | 0.022 | 70.041 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 266 | PRO | 0 | 0.006 | -0.007 | 72.388 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 267 | ASP | -1 | -0.809 | -0.902 | 72.729 | -4.437 | -4.437 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 268 | GLU | -1 | -0.955 | -0.985 | 74.763 | -4.079 | -4.079 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 269 | LYS | 1 | 0.841 | 0.932 | 71.432 | 4.580 | 4.580 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 270 | LYS | 1 | 0.956 | 0.986 | 76.932 | 4.065 | 4.065 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 271 | SER | 0 | -0.012 | 0.000 | 74.849 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 272 | LYS | 1 | 0.967 | 0.975 | 76.907 | 3.887 | 3.887 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 273 | TYR | 0 | -0.019 | 0.004 | 70.201 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 274 | TYR | 0 | -0.064 | -0.036 | 68.800 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 275 | THR | 0 | 0.000 | -0.018 | 75.606 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 276 | PRO | 0 | -0.011 | -0.020 | 77.585 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 277 | GLU | -1 | -0.958 | -0.967 | 78.800 | -4.005 | -4.005 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 278 | THR | 0 | -0.045 | -0.003 | 73.903 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 279 | GLN | 0 | 0.015 | -0.001 | 72.168 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 280 | THR | 0 | -0.081 | -0.035 | 69.905 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 281 | GLU | -1 | -0.847 | -0.920 | 68.537 | -4.642 | -4.642 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 282 | VAL | 0 | -0.061 | -0.051 | 63.575 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 283 | TYR | 0 | 0.025 | 0.006 | 64.936 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 284 | ALA | 0 | 0.027 | 0.017 | 60.279 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 285 | TYR | 0 | 0.007 | 0.007 | 59.395 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 286 | HIS | 0 | 0.007 | -0.002 | 52.877 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 287 | PRO | 0 | 0.013 | 0.009 | 54.966 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 288 | LYS | 1 | 0.924 | 0.953 | 48.251 | 6.571 | 6.571 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 289 | LEU | 0 | 0.036 | 0.020 | 53.978 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 290 | LYS | 1 | 0.899 | 0.962 | 56.681 | 5.405 | 5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 291 | GLU | -1 | -0.913 | -0.957 | 59.321 | -5.157 | -5.157 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 292 | TRP | 0 | -0.093 | -0.030 | 61.107 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 293 | LEU | 0 | 0.010 | -0.001 | 58.887 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 294 | GLU | -1 | -0.884 | -0.936 | 63.047 | -4.850 | -4.850 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 295 | VAL | 0 | -0.102 | -0.057 | 59.067 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 296 | ALA | 0 | 0.001 | -0.018 | 61.460 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 297 | THR | 0 | 0.029 | 0.029 | 63.258 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | D | 298 | PHE | 0 | 0.016 | 0.014 | 65.900 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | D | 299 | GLY | 0 | 0.041 | 0.032 | 67.752 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | D | 300 | VAL | 0 | 0.005 | 0.013 | 70.024 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | D | 301 | TYR | 0 | 0.029 | 0.007 | 67.386 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 302 | SER | 0 | 0.014 | 0.003 | 73.641 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 303 | PRO | 0 | 0.109 | 0.037 | 77.098 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 304 | VAL | 0 | -0.019 | 0.053 | 78.867 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 305 | ALA | 0 | 0.024 | 0.003 | 75.980 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 306 | LEU | 0 | -0.010 | -0.008 | 72.391 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 307 | SER | 0 | 0.027 | -0.020 | 75.934 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 308 | LYS | 1 | 0.891 | 0.951 | 78.421 | 4.014 | 4.014 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 309 | TYR | 0 | -0.069 | -0.043 | 72.936 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 310 | GLY | 0 | -0.003 | 0.024 | 74.508 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 311 | ILE | 0 | -0.061 | -0.034 | 71.075 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 312 | ASP | -1 | -0.891 | -0.945 | 74.586 | -4.175 | -4.175 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 313 | VAL | 0 | -0.031 | 0.000 | 70.823 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 314 | PRO | 0 | -0.001 | 0.006 | 72.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 315 | VAL | 0 | 0.044 | -0.009 | 68.030 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 316 | MET | 0 | -0.051 | 0.018 | 64.648 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 317 | ASN | 0 | -0.022 | -0.036 | 64.810 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 318 | LEU | 0 | 0.048 | 0.018 | 61.067 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 319 | GLY | 0 | -0.045 | -0.024 | 62.209 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 320 | LEU | 0 | 0.044 | 0.010 | 56.810 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 321 | GLY | 0 | 0.033 | 0.020 | 59.251 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 322 | VAL | 0 | 0.027 | 0.014 | 53.137 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 323 | GLU | -1 | -0.755 | -0.856 | 54.987 | -5.895 | -5.895 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 324 | ARG | 1 | 0.994 | 0.997 | 55.415 | 5.171 | 5.171 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 325 | LEU | 0 | 0.036 | 0.028 | 53.411 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 326 | ALA | 0 | 0.012 | 0.006 | 51.379 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 327 | MET | 0 | -0.047 | -0.028 | 51.870 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 328 | ILE | 0 | -0.009 | 0.013 | 53.558 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 329 | SER | 0 | -0.065 | -0.041 | 50.193 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 330 | GLY | 0 | -0.019 | -0.012 | 48.886 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 331 | ASN | 0 | -0.033 | -0.012 | 49.895 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 332 | PHE | 0 | -0.024 | -0.011 | 47.852 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 333 | ALA | 0 | 0.003 | -0.009 | 53.332 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 334 | ASP | -1 | -0.848 | -0.936 | 55.796 | -5.405 | -5.405 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 335 | VAL | 0 | 0.027 | 0.000 | 55.541 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 336 | ARG | 1 | 0.912 | 0.966 | 55.535 | 5.437 | 5.437 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 337 | GLU | -1 | -0.962 | -0.976 | 52.843 | -5.995 | -5.995 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 338 | MET | 0 | -0.040 | 0.000 | 50.930 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 339 | VAL | 0 | -0.069 | -0.038 | 50.569 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 340 | TYR | 0 | -0.079 | -0.037 | 51.134 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 341 | PRO | 0 | 0.075 | 0.043 | 47.739 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 342 | GLN | 0 | 0.005 | -0.014 | 48.245 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 343 | PHE | 0 | -0.099 | -0.044 | 49.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 344 | TYR | 0 | 0.029 | 0.021 | 51.162 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 345 | GLU | -1 | -0.799 | -0.890 | 50.154 | -6.318 | -6.318 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 346 | HIS | 0 | -0.001 | 0.007 | 41.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 347 | LYS | 1 | 0.925 | 0.973 | 45.411 | 6.403 | 6.403 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 348 | LEU | 0 | -0.042 | -0.023 | 39.746 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 349 | ASN | 0 | 0.027 | 0.003 | 37.385 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 350 | ASP | -1 | -0.700 | -0.843 | 39.654 | -7.542 | -7.542 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 351 | ARG | 1 | 0.884 | 0.946 | 31.746 | 9.388 | 9.388 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 352 | ASN | 0 | -0.052 | -0.035 | 35.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 353 | VAL | 0 | 0.062 | 0.048 | 36.573 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 354 | ALA | 0 | 0.049 | 0.024 | 34.739 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 355 | SER | 0 | -0.114 | -0.069 | 32.653 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 356 | MET | 0 | -0.074 | -0.048 | 33.869 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 357 | VAL | 0 | 0.014 | 0.027 | 36.100 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 358 | LYS | 1 | 0.874 | 0.928 | 31.811 | 8.810 | 8.810 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 359 | LEU | 0 | 0.015 | 0.000 | 30.079 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 360 | ASP | -1 | -0.931 | -0.972 | 33.853 | -8.025 | -8.025 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 361 | LYS | 1 | 0.956 | 0.980 | 34.768 | 7.399 | 7.399 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 362 | VAL | 0 | -0.005 | -0.004 | 28.473 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 363 | PRO | 0 | -0.065 | -0.013 | 27.614 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 427 | GLU | -1 | -0.858 | -0.954 | 32.562 | -9.086 | -9.086 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 428 | ILE | 0 | -0.027 | -0.008 | 36.086 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 429 | TYR | 0 | -0.032 | -0.026 | 35.498 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 430 | VAL | 0 | -0.065 | -0.036 | 38.142 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 431 | TYR | 0 | 0.047 | 0.024 | 39.749 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 432 | ASP | -1 | -0.854 | -0.926 | 42.556 | -6.414 | -6.414 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 433 | GLY | 0 | -0.029 | -0.011 | 43.969 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 434 | ASN | 0 | -0.052 | -0.031 | 45.070 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 435 | VAL | 0 | -0.022 | -0.026 | 40.152 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 436 | ILE | 0 | 0.013 | 0.008 | 42.358 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 437 | GLY | 0 | 0.002 | -0.002 | 40.384 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 438 | ILE | 0 | -0.035 | -0.006 | 39.865 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 439 | PRO | 0 | 0.001 | -0.001 | 39.769 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 440 | GLU | -1 | -0.940 | -0.964 | 35.422 | -8.221 | -8.221 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 505 | LEU | 0 | -0.018 | -0.018 | 35.139 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 506 | LYS | 1 | 0.956 | 0.986 | 35.948 | 8.496 | 8.496 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 507 | ILE | 0 | -0.014 | 0.007 | 38.105 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 508 | ASP | -1 | -0.852 | -0.929 | 37.272 | -8.166 | -8.166 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 509 | ASP | -1 | -0.835 | -0.931 | 40.608 | -6.834 | -6.834 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 510 | ILE | 0 | -0.078 | -0.042 | 41.660 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 511 | ALA | 0 | 0.020 | 0.005 | 40.979 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 512 | LEU | 0 | 0.049 | 0.023 | 43.094 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 513 | LYS | 1 | 0.971 | 0.990 | 46.027 | 6.477 | 6.477 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 514 | GLN | 0 | 0.018 | 0.031 | 44.253 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 515 | ILE | 0 | 0.034 | 0.014 | 43.412 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 516 | MET | 0 | -0.038 | -0.010 | 47.826 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 517 | SER | 0 | -0.028 | -0.015 | 50.632 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 518 | LYS | 1 | 0.757 | 0.855 | 49.306 | 6.223 | 6.223 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 519 | ASN | 0 | -0.014 | -0.004 | 51.998 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 520 | LYS | 1 | 0.817 | 0.912 | 48.043 | 6.428 | 6.428 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 521 | VAL | 0 | 0.003 | -0.026 | 46.338 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 1364 | ALA | 0 | 0.072 | 0.017 | 29.176 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 1365 | ALA | 0 | -0.003 | 0.004 | 24.879 | -0.337 | -0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 1366 | ALA | 0 | 0.020 | -0.005 | 20.305 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 1367 | ALA | 0 | 0.042 | 0.024 | 22.450 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 1368 | ALA | 0 | 0.042 | 0.028 | 23.996 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 1369 | ALA | 0 | -0.005 | -0.005 | 23.122 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 1370 | ALA | 0 | -0.003 | -0.005 | 21.371 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 1371 | ALA | 0 | 0.027 | 0.017 | 23.086 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 1372 | ALA | 0 | 0.010 | -0.002 | 26.604 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 1373 | ALA | 0 | -0.028 | -0.008 | 22.954 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 1374 | ALA | 0 | 0.014 | 0.007 | 24.704 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 1375 | ALA | 0 | 0.023 | 0.010 | 25.936 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 1376 | ALA | 0 | -0.028 | -0.021 | 27.307 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 1377 | ALA | 0 | -0.008 | 0.001 | 25.332 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 1378 | ALA | 0 | 0.013 | 0.003 | 27.471 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 1379 | ALA | 0 | -0.024 | -0.018 | 30.558 | 0.223 | 0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 1380 | ALA | 0 | -0.043 | -0.006 | 29.092 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 1381 | ALA | 0 | -0.033 | -0.003 | 29.810 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 1382 | ALA | 0 | -0.063 | -0.035 | 31.610 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 1389 | ALA | 0 | 0.047 | 0.026 | 40.430 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 1390 | ALA | 0 | -0.031 | -0.004 | 39.929 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 1391 | ALA | 0 | 0.000 | 0.007 | 34.472 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 1392 | ALA | 0 | 0.000 | -0.013 | 33.823 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 1393 | ALA | 0 | 0.004 | 0.017 | 28.381 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 1394 | ALA | 0 | 0.001 | -0.011 | 29.123 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 1395 | ALA | 0 | -0.007 | -0.006 | 25.514 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 1405 | ALA | 0 | 0.032 | 0.029 | 29.529 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 1406 | ALA | 0 | -0.025 | 0.007 | 28.445 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 1407 | ALA | 0 | -0.004 | -0.014 | 29.831 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 1408 | ALA | 0 | 0.006 | 0.013 | 31.950 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 1409 | ALA | 0 | -0.008 | -0.005 | 33.448 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 1410 | ALA | 0 | -0.006 | -0.004 | 36.123 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 1411 | ALA | 0 | -0.010 | -0.026 | 38.707 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 1449 | ALA | 0 | 0.055 | 0.011 | 52.179 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 1450 | ALA | 0 | 0.027 | 0.010 | 48.953 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 1451 | ALA | 0 | 0.036 | 0.019 | 48.072 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 1452 | ALA | 0 | 0.016 | 0.009 | 48.264 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 1453 | ALA | 0 | 0.004 | 0.002 | 44.592 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 1454 | ALA | 0 | 0.020 | 0.005 | 43.544 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 1455 | ALA | 0 | 0.000 | 0.001 | 43.792 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 1456 | ALA | 0 | -0.001 | -0.007 | 41.986 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 1457 | ALA | 0 | -0.014 | -0.020 | 39.457 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 1458 | ALA | 0 | -0.017 | 0.002 | 39.149 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 1459 | ALA | 0 | -0.050 | -0.019 | 40.027 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 1460 | ALA | 0 | -0.038 | 0.000 | 39.319 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 1461 | ALA | 0 | -0.049 | -0.023 | 35.361 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 1462 | ALA | 0 | 0.052 | 0.035 | 33.238 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 1463 | ALA | 0 | -0.042 | -0.026 | 32.702 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 1464 | ALA | 0 | -0.017 | -0.001 | 28.170 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 1465 | ALA | 0 | -0.007 | -0.012 | 29.295 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 1466 | ALA | 0 | 0.086 | 0.043 | 31.842 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 1467 | ALA | 0 | 0.005 | -0.007 | 33.939 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 1468 | ALA | 0 | 0.064 | 0.037 | 34.894 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 1469 | ALA | 0 | 0.053 | 0.024 | 30.009 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 1470 | ALA | 0 | -0.034 | -0.014 | 31.553 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 1471 | ALA | 0 | 0.016 | 0.010 | 33.693 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 1472 | ALA | 0 | 0.023 | 0.021 | 31.189 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 1473 | ALA | 0 | 0.002 | -0.009 | 30.119 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 1474 | ALA | 0 | -0.004 | -0.002 | 31.258 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 1475 | ALA | 0 | 0.012 | 0.005 | 33.958 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 1476 | ALA | 0 | 0.002 | -0.002 | 29.462 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 1477 | ALA | 0 | -0.058 | -0.031 | 31.600 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 1478 | ALA | 0 | 0.052 | 0.025 | 33.387 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 1479 | ALA | 0 | 0.014 | 0.007 | 31.847 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 1480 | ALA | 0 | -0.073 | -0.040 | 31.658 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 1481 | GLU | -1 | -0.922 | -0.962 | 33.310 | -7.367 | -7.367 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 1482 | ALA | 0 | 0.005 | 0.008 | 35.962 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 1483 | ALA | 0 | -0.048 | -0.028 | 32.895 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 1484 | ALA | 0 | -0.059 | -0.019 | 34.865 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 1485 | ALA | 0 | -0.030 | -0.015 | 37.082 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 1486 | ALA | 0 | -0.044 | -0.005 | 39.058 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 1489 | ALA | 0 | -0.030 | -0.020 | 38.960 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 1490 | ALA | 0 | 0.005 | 0.007 | 38.865 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 1491 | ALA | 0 | -0.001 | -0.014 | 40.269 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 1492 | ALA | 0 | 0.002 | -0.007 | 38.196 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 1493 | ALA | 0 | -0.018 | 0.013 | 40.156 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 1494 | ALA | 0 | -0.002 | -0.003 | 41.615 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 1495 | ALA | 0 | 0.035 | 0.032 | 43.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 1503 | ALA | 0 | 0.049 | 0.018 | 37.475 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 1504 | ALA | 0 | 0.005 | 0.001 | 35.727 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 1522 | ALA | 0 | 0.000 | 0.009 | 43.235 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 1523 | ALA | 0 | -0.031 | 0.009 | 43.963 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 1527 | ALA | 0 | 0.006 | 0.005 | 45.038 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 1528 | ALA | 0 | -0.015 | -0.026 | 41.578 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 1529 | ALA | 0 | -0.016 | 0.004 | 42.825 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 1530 | ALA | 0 | 0.011 | -0.014 | 38.823 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 1533 | ALA | 0 | 0.044 | 0.019 | 41.768 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 1534 | ALA | 0 | -0.052 | -0.030 | 37.484 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 1535 | ALA | 0 | -0.014 | -0.002 | 38.147 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 1536 | ALA | 0 | 0.012 | 0.008 | 35.267 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 1537 | ALA | 0 | 0.015 | 0.007 | 33.874 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 2216 | ALA | 0 | 0.044 | 0.003 | 84.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 2217 | ALA | 0 | 0.026 | 0.010 | 83.877 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 2218 | ALA | 0 | 0.066 | 0.030 | 78.740 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 2219 | ALA | 0 | -0.027 | -0.009 | 79.020 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 2220 | ALA | 0 | -0.009 | -0.004 | 80.559 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 2221 | ALA | 0 | -0.013 | 0.001 | 78.469 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 2222 | ALA | 0 | -0.039 | -0.026 | 76.068 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 2223 | ALA | 0 | -0.051 | -0.009 | 76.445 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 2224 | ALA | 0 | -0.031 | -0.003 | 77.190 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 2233 | ALA | 0 | 0.069 | 0.019 | 74.445 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 2234 | ALA | 0 | 0.026 | 0.008 | 74.930 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 2235 | ALA | 0 | 0.037 | 0.021 | 75.902 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 2236 | ALA | 0 | 0.032 | 0.018 | 73.355 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 2237 | ALA | 0 | 0.009 | 0.012 | 71.617 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 2238 | ALA | 0 | 0.000 | -0.004 | 72.417 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 2239 | ALA | 0 | 0.008 | 0.002 | 74.866 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 2240 | ALA | 0 | 0.005 | -0.004 | 69.339 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 2241 | ALA | 0 | -0.067 | -0.039 | 70.397 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 2242 | ALA | 0 | 0.041 | 0.029 | 71.657 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 2243 | ALA | 0 | -0.013 | 0.012 | 70.593 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 2250 | ALA | 0 | 0.060 | 0.031 | 65.108 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 2251 | ALA | 0 | 0.042 | 0.010 | 66.050 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 2252 | ALA | 0 | -0.006 | -0.007 | 63.537 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 2253 | ALA | 0 | 0.033 | 0.021 | 62.355 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 2254 | ALA | 0 | -0.020 | -0.009 | 64.366 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 2255 | ALA | 0 | 0.016 | 0.006 | 67.709 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 2256 | ALA | 0 | -0.038 | -0.003 | 64.352 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 2266 | ALA | 0 | 0.060 | 0.018 | 60.431 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 2267 | ALA | 0 | 0.042 | 0.017 | 62.518 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 2268 | ALA | 0 | 0.032 | 0.020 | 65.306 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 2269 | ALA | 0 | -0.035 | -0.014 | 63.523 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 2270 | ALA | 0 | 0.006 | 0.007 | 65.632 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 2271 | ALA | 0 | 0.068 | 0.033 | 68.138 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 2272 | ALA | 0 | -0.039 | -0.029 | 69.264 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 2273 | ALA | 0 | -0.017 | -0.012 | 71.227 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 2274 | ALA | 0 | -0.011 | -0.007 | 72.435 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 2275 | ALA | 0 | -0.002 | 0.008 | 74.166 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 2276 | ALA | 0 | -0.012 | -0.006 | 74.213 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |