NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
464949 | 2kw4 | 16807 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -8.569 1.270 -16.443 2 HA MET 1 HA MET 1 -8.354 0.282 -18.971 3 HB2 MET 1 HB2 MET 1 -9.631 2.860 -19.019 4 HB3 MET 1 HB3 MET 1 -8.082 2.949 -19.848 5 HG2 MET 1 HG2 MET 1 -8.891 0.799 -21.049 6 HG3 MET 1 HG3 MET 1 -10.487 1.312 -20.506 7 HE1 MET 1 HE1 MET 1 -7.665 1.479 -22.617 8 HE2 MET 1 HE2 MET 1 -8.649 1.732 -24.059 9 HE3 MET 1 HE3 MET 1 -7.622 3.032 -23.453 10 H ASP 2 H ASP 2 -7.283 3.463 -17.764 11 HA ASP 2 HA ASP 2 -4.663 2.427 -17.129 12 HB2 ASP 2 HB2 ASP 2 -5.139 3.504 -19.712 13 HB3 ASP 2 3HB ASP 2 -4.176 4.682 -18.825 14 H ASP 3 H ASP 3 -3.182 4.505 -16.667 15 HA ASP 3 HA ASP 3 -4.790 6.555 -15.324 16 HB2 ASP 3 HB2 ASP 3 -3.797 6.275 -13.236 17 HB3 ASP 3 3HB ASP 3 -4.022 4.613 -13.774 18 H ARG 4 H ARG 4 -2.807 7.974 -14.103 19 HA ARG 4 HA ARG 4 -0.607 8.436 -15.899 20 HB2 ARG 4 HB2 ARG 4 -1.193 10.578 -16.695 21 HB3 ARG 4 HB3 ARG 4 -2.621 9.584 -16.954 22 HG2 ARG 4 HG2 ARG 4 -3.478 10.499 -14.748 23 HG3 ARG 4 HG3 ARG 4 -2.168 11.678 -14.854 24 HD2 ARG 4 HD2 ARG 4 -4.045 11.281 -17.151 25 HD3 ARG 4 HD3 ARG 4 -4.512 12.288 -15.781 26 HE ARG 4 HE ARG 4 -1.989 13.118 -16.621 27 HH11 ARG 4 HH11 ARG 4 -5.252 13.018 -17.830 28 HH12 ARG 4 HH12 ARG 4 -5.061 14.416 -18.835 29 HH21 ARG 4 HH21 ARG 4 -1.726 14.961 -17.939 30 HH22 ARG 4 HH22 ARG 4 -3.055 15.520 -18.897 31 H THR 5 H THR 5 -1.252 7.921 -13.021 32 HA THR 5 HA THR 5 -0.640 10.271 -11.539 33 HB THR 5 HB THR 5 -0.156 8.642 -9.665 34 HG1 THR 5 HG1 THR 5 -0.716 6.458 -10.093 35 HG21 THR 5 HG21 THR 5 -2.357 9.603 -9.887 36 HG22 THR 5 HG22 THR 5 -2.523 7.896 -9.479 37 HG23 THR 5 HG23 THR 5 -2.783 8.435 -11.137 38 H GLU 6 H GLU 6 1.302 10.427 -10.103 39 HA GLU 6 HA GLU 6 3.717 9.134 -11.004 40 HB2 GLU 6 HB2 GLU 6 3.110 11.992 -11.659 41 HB3 GLU 6 HB3 GLU 6 4.768 11.516 -11.321 42 HG2 GLU 6 HG2 GLU 6 4.351 9.679 -13.089 43 HG3 GLU 6 HG3 GLU 6 2.991 10.690 -13.575 44 H TYR 7 H TYR 7 2.104 9.545 -8.544 45 HA TYR 7 HA TYR 7 4.311 10.432 -6.833 46 HB2 TYR 7 HB2 TYR 7 1.460 11.225 -6.255 47 HB3 TYR 7 3HB TYR 7 2.924 11.793 -5.462 48 HD1 TYR 7 HD1 TYR 7 4.650 12.978 -7.106 49 HD2 TYR 7 HD2 TYR 7 0.471 12.608 -7.814 50 HE1 TYR 7 HE1 TYR 7 4.747 14.893 -8.647 51 HE2 TYR 7 HE2 TYR 7 0.557 14.521 -9.358 52 HH TYR 7 HH TYR 7 3.477 16.432 -9.755 53 H ASP 8 H ASP 8 4.265 9.559 -4.697 54 HA ASP 8 HA ASP 8 3.667 6.877 -4.509 55 HB2 ASP 8 HB2 ASP 8 5.187 7.849 -2.941 56 HB3 ASP 8 3HB ASP 8 3.957 8.957 -2.340 57 H VAL 9 H VAL 9 2.066 5.697 -3.341 58 HA VAL 9 HA VAL 9 -0.578 6.891 -3.584 59 HB VAL 9 HB VAL 9 0.259 4.053 -2.974 60 HG11 VAL 9 HG11 VAL 9 -2.116 3.495 -3.362 61 HG12 VAL 9 HG12 VAL 9 -1.877 4.510 -1.939 62 HG13 VAL 9 HG13 VAL 9 -2.485 5.217 -3.437 63 HG21 VAL 9 HG21 VAL 9 -0.316 3.538 -5.214 64 HG22 VAL 9 HG22 VAL 9 -1.044 5.124 -5.468 65 HG23 VAL 9 HG23 VAL 9 0.704 4.975 -5.284 66 H TYR 10 H TYR 10 -2.086 6.995 -1.909 67 HA TYR 10 HA TYR 10 -1.029 7.608 0.650 68 HB2 TYR 10 HB2 TYR 10 -3.004 8.752 -0.141 69 HB3 TYR 10 3HB TYR 10 -3.877 7.232 -0.293 70 HD1 TYR 10 HD1 TYR 10 -1.852 8.812 2.430 71 HD2 TYR 10 HD2 TYR 10 -5.555 7.065 1.274 72 HE1 TYR 10 HE1 TYR 10 -2.684 9.068 4.730 73 HE2 TYR 10 HE2 TYR 10 -6.398 7.317 3.570 74 HH TYR 10 HH TYR 10 -4.318 8.439 6.178 75 H THR 11 H THR 11 0.082 5.582 1.091 76 HA THR 11 HA THR 11 -1.694 3.695 2.461 77 HB THR 11 HB THR 11 -0.458 1.764 1.631 78 HG1 THR 11 HG1 THR 11 1.110 3.767 0.455 79 HG21 THR 11 HG21 THR 11 -2.315 3.209 0.221 80 HG22 THR 11 HG22 THR 11 -1.758 1.587 -0.192 81 HG23 THR 11 HG23 THR 11 -1.025 2.994 -0.962 82 H ASP 12 H ASP 12 -0.482 2.259 3.968 83 HA ASP 12 HA ASP 12 0.941 1.946 5.716 84 HB2 ASP 12 HB2 ASP 12 3.014 3.704 4.467 85 HB3 ASP 12 3HB ASP 12 3.214 2.192 5.349 86 H GLY 13 H GLY 13 0.205 2.933 7.488 87 HA2 GLY 13 HA1 GLY 13 0.765 4.625 9.148 88 HA3 GLY 13 HA2 GLY 13 0.879 5.786 7.834 89 H SER 14 H SER 14 -1.318 3.880 9.799 90 HA SER 14 HA SER 14 -3.278 5.894 9.884 91 HB2 SER 14 HB2 SER 14 -3.876 5.402 7.643 92 HB3 SER 14 3HB SER 14 -3.749 3.663 7.908 93 HG SER 14 HG SER 14 -5.934 4.838 7.922 94 H TYR 15 H TYR 15 -4.782 5.493 11.457 95 HA TYR 15 HA TYR 15 -5.609 2.984 12.369 96 HB2 TYR 15 HB2 TYR 15 -4.343 3.020 14.589 97 HB3 TYR 15 3HB TYR 15 -3.439 2.505 13.169 98 HD1 TYR 15 HD1 TYR 15 -3.886 5.175 15.647 99 HD2 TYR 15 HD2 TYR 15 -1.635 3.851 12.287 100 HE1 TYR 15 HE1 TYR 15 -2.184 6.887 16.119 101 HE2 TYR 15 HE2 TYR 15 0.073 5.558 12.750 102 HH TYR 15 HH TYR 15 -0.417 8.145 14.781 103 H VAL 16 H VAL 16 -6.914 3.105 14.308 104 HA VAL 16 HA VAL 16 -7.599 5.855 15.107 105 HB VAL 16 HB VAL 16 -9.323 5.165 13.579 106 HG11 VAL 16 HG11 VAL 16 -8.842 2.698 13.884 107 HG12 VAL 16 HG12 VAL 16 -9.877 2.770 15.312 108 HG13 VAL 16 HG13 VAL 16 -10.540 3.146 13.721 109 HG21 VAL 16 HG21 VAL 16 -9.916 6.344 15.738 110 HG22 VAL 16 HG22 VAL 16 -11.237 5.502 14.927 111 HG23 VAL 16 HG23 VAL 16 -10.462 4.777 16.336 112 H ASN 17 H ASN 17 -7.206 6.080 17.202 113 HA ASN 17 HA ASN 17 -7.233 5.724 19.453 114 HB2 ASN 17 HB2 ASN 17 -9.560 4.773 18.875 115 HB3 ASN 17 3HB ASN 17 -8.802 3.190 19.021 116 HD21 ASN 17 HD21 ASN 17 -10.667 5.230 20.621 117 HD22 ASN 17 HD22 ASN 17 -10.185 4.914 22.250 118 H GLY 18 H GLY 18 -7.287 2.381 18.209 119 HA2 GLY 18 HA1 GLY 18 -4.477 2.020 18.743 120 HA3 GLY 18 HA2 GLY 18 -5.518 1.217 19.910 121 H GLN 19 H GLN 19 -6.624 1.547 16.652 122 HA GLN 19 HA GLN 19 -6.238 -1.344 16.279 123 HB2 GLN 19 HB2 GLN 19 -8.514 0.301 15.995 124 HB3 GLN 19 HB3 GLN 19 -8.050 -0.188 14.371 125 HG2 GLN 19 HG2 GLN 19 -7.865 -2.547 15.670 126 HG3 GLN 19 HG3 GLN 19 -9.158 -1.770 16.581 127 HE21 GLN 19 HE21 GLN 19 -10.833 -0.683 15.127 128 HE22 GLN 19 HE22 GLN 19 -11.372 -1.612 13.774 129 H TYR 20 H TYR 20 -6.479 -1.733 13.676 130 HA TYR 20 HA TYR 20 -4.481 0.003 12.390 131 HB2 TYR 20 HB2 TYR 20 -3.301 -1.857 11.512 132 HB3 TYR 20 3HB TYR 20 -3.552 -2.215 13.217 133 HD1 TYR 20 HD1 TYR 20 -5.130 -3.954 13.904 134 HD2 TYR 20 HD2 TYR 20 -4.389 -3.154 9.791 135 HE1 TYR 20 HE1 TYR 20 -6.180 -6.096 13.304 136 HE2 TYR 20 HE2 TYR 20 -5.438 -5.293 9.180 137 HH TYR 20 HH TYR 20 -6.170 -7.282 9.989 138 H ALA 21 H ALA 21 -4.916 0.601 10.344 139 HA ALA 21 HA ALA 21 -6.982 -0.835 8.843 140 HB1 ALA 21 HB1 ALA 21 -8.146 1.213 8.268 141 HB2 ALA 21 HB2 ALA 21 -8.113 1.004 10.020 142 HB3 ALA 21 HB3 ALA 21 -7.020 2.153 9.248 143 H TRP 22 H TRP 22 -6.879 -0.555 6.582 144 HA TRP 22 HA TRP 22 -4.386 0.691 5.623 145 HB2 TRP 22 HB2 TRP 22 -4.574 -1.093 3.761 146 HB3 TRP 22 3HB TRP 22 -4.000 -1.601 5.347 147 HD1 TRP 22 HD1 TRP 22 -5.765 -3.006 6.882 148 HE1 TRP 22 HE1 TRP 22 -7.721 -4.531 6.196 149 HE3 TRP 22 HE3 TRP 22 -6.367 -1.433 2.055 150 HZ2 TRP 22 HZ2 TRP 22 -9.309 -5.005 3.911 151 HZ3 TRP 22 HZ3 TRP 22 -8.127 -2.474 0.686 152 HH2 TRP 22 HH2 TRP 22 -9.566 -4.223 1.597 153 H ALA 23 H ALA 23 -4.569 2.153 4.042 154 HA ALA 23 HA ALA 23 -7.064 2.243 2.486 155 HB1 ALA 23 HB1 ALA 23 -7.231 3.918 4.245 156 HB2 ALA 23 HB2 ALA 23 -5.696 4.623 3.737 157 HB3 ALA 23 HB3 ALA 23 -7.093 4.684 2.662 158 H TYR 24 H TYR 24 -6.848 3.643 0.520 159 HA TYR 24 HA TYR 24 -4.217 4.189 -0.482 160 HB2 TYR 24 HB2 TYR 24 -4.679 2.604 -2.512 161 HB3 TYR 24 3HB TYR 24 -3.973 1.952 -1.038 162 HD1 TYR 24 HD1 TYR 24 -7.455 2.704 -2.190 163 HD2 TYR 24 HD2 TYR 24 -4.764 -0.149 -0.539 164 HE1 TYR 24 HE1 TYR 24 -9.288 1.069 -2.042 165 HE2 TYR 24 HE2 TYR 24 -6.589 -1.791 -0.389 166 HH TYR 24 HH TYR 24 -9.745 -1.165 -1.773 167 H ALA 25 H ALA 25 -4.294 5.013 -2.741 168 HA ALA 25 HA ALA 25 -6.874 6.346 -3.234 169 HB1 ALA 25 HB1 ALA 25 -4.050 7.228 -3.530 170 HB2 ALA 25 HB2 ALA 25 -5.253 7.880 -4.643 171 HB3 ALA 25 HB3 ALA 25 -5.449 8.101 -2.905 172 H PHE 26 H PHE 26 -7.952 5.868 -5.031 173 HA PHE 26 HA PHE 26 -6.547 4.368 -7.137 174 HB2 PHE 26 HB2 PHE 26 -9.339 4.268 -6.074 175 HB3 PHE 26 3HB PHE 26 -9.060 3.837 -7.759 176 HD1 PHE 26 HD1 PHE 26 -6.955 3.198 -4.761 177 HD2 PHE 26 HD2 PHE 26 -9.354 1.545 -7.864 178 HE1 PHE 26 HE1 PHE 26 -6.287 0.935 -4.067 179 HE2 PHE 26 HE2 PHE 26 -8.690 -0.721 -7.175 180 HZ PHE 26 HZ PHE 26 -7.153 -1.029 -5.275 181 H VAL 27 H VAL 27 -6.642 5.020 -9.241 182 HA VAL 27 HA VAL 27 -8.309 7.317 -9.943 183 HB VAL 27 HB VAL 27 -5.313 7.275 -10.028 184 HG11 VAL 27 HG11 VAL 27 -5.524 7.846 -12.223 185 HG12 VAL 27 HG12 VAL 27 -7.156 8.485 -12.016 186 HG13 VAL 27 HG13 VAL 27 -5.762 9.436 -11.499 187 HG21 VAL 27 HG21 VAL 27 -7.120 9.599 -9.460 188 HG22 VAL 27 HG22 VAL 27 -6.763 8.396 -8.221 189 HG23 VAL 27 HG23 VAL 27 -5.455 9.334 -8.940 190 H LYS 28 H LYS 28 -9.195 7.092 -11.895 191 HA LYS 28 HA LYS 28 -7.949 5.209 -13.788 192 HB2 LYS 28 HB2 LYS 28 -10.816 5.481 -12.946 193 HB3 LYS 28 HB3 LYS 28 -10.419 4.856 -14.542 194 HG2 LYS 28 HG2 LYS 28 -8.847 3.536 -12.531 195 HG3 LYS 28 HG3 LYS 28 -10.566 3.436 -12.143 196 HD2 LYS 28 HD2 LYS 28 -9.809 2.917 -14.956 197 HD3 LYS 28 HD3 LYS 28 -9.322 1.703 -13.770 198 HE2 LYS 28 HE2 LYS 28 -11.566 1.348 -13.086 199 HE3 LYS 28 HE3 LYS 28 -12.130 2.767 -13.966 200 HZ1 LYS 28 HZ1 LYS 28 -10.820 0.965 -15.716 201 HZ2 LYS 28 HZ2 LYS 28 -12.405 1.551 -15.781 202 HZ3 LYS 28 HZ3 LYS 28 -12.053 0.165 -14.878 203 H ASP 29 H ASP 29 -7.706 5.900 -15.836 204 HA ASP 29 HA ASP 29 -7.748 7.240 -17.676 205 HB2 ASP 29 HB2 ASP 29 -10.360 7.147 -16.880 206 HB3 ASP 29 3HB ASP 29 -10.050 8.881 -16.857 207 H GLY 30 H GLY 30 -6.823 8.122 -14.818 208 HA2 GLY 30 HA1 GLY 30 -5.318 9.851 -14.323 209 HA3 GLY 30 HA2 GLY 30 -5.916 10.741 -15.716 210 H LYS 31 H LYS 31 -8.151 9.391 -13.431 211 HA LYS 31 HA LYS 31 -8.404 11.887 -11.963 212 HB2 LYS 31 HB2 LYS 31 -10.908 11.903 -12.452 213 HB3 LYS 31 HB3 LYS 31 -9.845 12.453 -13.741 214 HG2 LYS 31 HG2 LYS 31 -9.994 10.137 -14.707 215 HG3 LYS 31 HG3 LYS 31 -11.264 9.813 -13.525 216 HD2 LYS 31 HD2 LYS 31 -12.528 10.489 -15.315 217 HD3 LYS 31 HD3 LYS 31 -12.282 12.036 -14.500 218 HE2 LYS 31 HE2 LYS 31 -10.747 12.763 -16.067 219 HE3 LYS 31 HE3 LYS 31 -10.330 11.126 -16.571 220 HZ1 LYS 31 HZ1 LYS 31 -11.696 12.456 -18.181 221 HZ2 LYS 31 HZ2 LYS 31 -12.985 12.333 -17.092 222 HZ3 LYS 31 HZ3 LYS 31 -12.325 10.937 -17.782 223 H VAL 32 H VAL 32 -9.976 11.711 -10.174 224 HA VAL 32 HA VAL 32 -9.577 9.395 -8.662 225 HB VAL 32 HB VAL 32 -11.745 11.476 -8.337 226 HG11 VAL 32 HG11 VAL 32 -10.713 9.342 -6.481 227 HG12 VAL 32 HG12 VAL 32 -11.660 10.728 -5.936 228 HG13 VAL 32 HG13 VAL 32 -12.362 9.567 -7.064 229 HG21 VAL 32 HG21 VAL 32 -8.874 11.466 -7.795 230 HG22 VAL 32 HG22 VAL 32 -9.998 12.818 -7.927 231 HG23 VAL 32 HG23 VAL 32 -9.858 11.933 -6.408 232 H HIS 33 H HIS 33 -10.455 7.447 -8.808 233 HA HIS 33 HA HIS 33 -13.034 7.161 -10.195 234 HB2 HIS 33 HB2 HIS 33 -10.876 5.980 -11.020 235 HB3 HIS 33 3HB HIS 33 -11.137 4.891 -9.661 236 HD1 HIS 33 HD1 HIS 33 -12.336 2.852 -10.335 237 HD2 HIS 33 HD2 HIS 33 -13.495 6.130 -12.609 238 HE1 HIS 33 HE1 HIS 33 -14.040 1.972 -11.962 239 H TYR 34 H TYR 34 -11.181 5.966 -7.413 240 HA TYR 34 HA TYR 34 -13.737 5.399 -6.071 241 HB2 TYR 34 HB2 TYR 34 -11.248 3.683 -6.044 242 HB3 TYR 34 3HB TYR 34 -12.623 3.447 -4.971 243 HD1 TYR 34 HD1 TYR 34 -14.855 3.963 -6.888 244 HD2 TYR 34 HD2 TYR 34 -11.266 1.721 -7.328 245 HE1 TYR 34 HE1 TYR 34 -15.946 2.561 -8.589 246 HE2 TYR 34 HE2 TYR 34 -12.347 0.313 -9.031 247 HH TYR 34 HH TYR 34 -14.191 -0.080 -10.194 248 H GLU 35 H GLU 35 -13.201 4.950 -3.610 249 HA GLU 35 HA GLU 35 -11.022 6.191 -2.379 250 HB2 GLU 35 HB2 GLU 35 -12.284 8.234 -1.499 251 HB3 GLU 35 HB3 GLU 35 -11.692 8.306 -3.152 252 HG2 GLU 35 HG2 GLU 35 -13.948 7.676 -3.943 253 HG3 GLU 35 HG3 GLU 35 -14.514 7.745 -2.275 254 H ASP 36 H ASP 36 -11.067 4.697 -0.802 255 HA ASP 36 HA ASP 36 -12.781 4.962 1.389 256 HB2 ASP 36 HB2 ASP 36 -14.077 3.629 -0.644 257 HB3 ASP 36 3HB ASP 36 -13.439 2.310 0.335 258 H ALA 37 H ALA 37 -12.118 3.725 3.140 259 HA ALA 37 HA ALA 37 -9.677 2.149 2.671 260 HB1 ALA 37 HB1 ALA 37 -9.048 2.668 4.955 261 HB2 ALA 37 HB2 ALA 37 -9.395 4.151 4.066 262 HB3 ALA 37 HB3 ALA 37 -10.577 3.510 5.207 263 H ASP 38 H ASP 38 -9.442 0.757 4.967 264 HA ASP 38 HA ASP 38 -11.888 -0.629 5.608 265 HB2 ASP 38 HB2 ASP 38 -9.751 -1.907 3.915 266 HB3 ASP 38 3HB ASP 38 -10.820 -2.872 4.929 267 H VAL 39 H VAL 39 -11.783 -1.633 7.560 268 HA VAL 39 HA VAL 39 -9.174 -1.561 8.927 269 HB VAL 39 HB VAL 39 -11.884 -1.560 10.254 270 HG11 VAL 39 HG11 VAL 39 -10.507 -0.634 12.157 271 HG12 VAL 39 HG12 VAL 39 -10.213 -2.325 11.749 272 HG13 VAL 39 HG13 VAL 39 -9.077 -1.080 11.227 273 HG21 VAL 39 HG21 VAL 39 -10.101 0.790 9.618 274 HG22 VAL 39 HG22 VAL 39 -11.669 0.446 8.886 275 HG23 VAL 39 HG23 VAL 39 -11.565 0.846 10.600 276 H GLY 40 H GLY 40 -8.701 -3.254 10.451 277 HA2 GLY 40 HA1 GLY 40 -9.874 -5.815 9.607 278 HA3 GLY 40 HA2 GLY 40 -8.300 -5.610 10.363 279 H LYS 41 H LYS 41 -8.661 -7.094 11.993 280 HA LYS 41 HA LYS 41 -9.762 -6.156 14.375 281 HB2 LYS 41 HB2 LYS 41 -11.683 -7.835 14.534 282 HB3 LYS 41 HB3 LYS 41 -11.953 -6.400 13.555 283 HG2 LYS 41 HG2 LYS 41 -10.858 -8.559 11.979 284 HG3 LYS 41 HG3 LYS 41 -12.348 -9.037 12.798 285 HD2 LYS 41 HD2 LYS 41 -13.173 -6.688 11.920 286 HD3 LYS 41 HD3 LYS 41 -11.898 -6.944 10.726 287 HE2 LYS 41 HE2 LYS 41 -12.992 -9.294 10.471 288 HE3 LYS 41 HE3 LYS 41 -14.393 -8.520 11.211 289 HZ1 LYS 41 HZ1 LYS 41 -14.357 -6.863 9.448 290 HZ2 LYS 41 HZ2 LYS 41 -14.511 -8.420 8.807 291 HZ3 LYS 41 HZ3 LYS 41 -13.023 -7.619 8.734 292 H ASN 42 H ASN 42 -8.903 -8.911 12.390 293 HA ASN 42 HA ASN 42 -8.623 -10.911 14.261 294 HB2 ASN 42 HB2 ASN 42 -7.020 -10.265 11.793 295 HB3 ASN 42 3HB ASN 42 -6.681 -11.692 12.767 296 HD21 ASN 42 HD21 ASN 42 -7.196 -12.762 10.712 297 HD22 ASN 42 HD22 ASN 42 -8.848 -13.138 10.375 298 HA PRO 43 HA PRO 43 -5.443 -9.671 17.031 299 HB2 PRO 43 HB2 PRO 43 -4.504 -12.105 17.783 300 HB3 PRO 43 HB3 PRO 43 -6.062 -11.468 18.323 301 HG2 PRO 43 HG2 PRO 43 -5.470 -13.416 16.128 302 HG3 PRO 43 HG3 PRO 43 -6.755 -13.463 17.349 303 HD2 PRO 43 HD2 PRO 43 -7.190 -12.637 14.807 304 HD3 PRO 43 HD3 PRO 43 -8.081 -11.974 16.192 305 H ALA 44 H ALA 44 -4.497 -12.287 14.799 306 HA ALA 44 HA ALA 44 -1.758 -12.061 14.944 307 HB1 ALA 44 HB1 ALA 44 -3.517 -12.755 12.603 308 HB2 ALA 44 HB2 ALA 44 -1.759 -12.895 12.566 309 HB3 ALA 44 HB3 ALA 44 -2.696 -13.855 13.711 310 H ALA 45 H ALA 45 -4.039 -9.976 13.316 311 HA ALA 45 HA ALA 45 -1.847 -8.426 12.133 312 HB1 ALA 45 HB1 ALA 45 -4.812 -8.432 11.620 313 HB2 ALA 45 HB2 ALA 45 -3.711 -7.239 10.930 314 HB3 ALA 45 HB3 ALA 45 -3.521 -8.947 10.535 315 H ALA 46 H ALA 46 -4.039 -8.422 14.744 316 HA ALA 46 HA ALA 46 -3.736 -5.530 15.153 317 HB1 ALA 46 HB1 ALA 46 -5.626 -7.543 16.347 318 HB2 ALA 46 HB2 ALA 46 -5.470 -5.891 16.948 319 HB3 ALA 46 HB3 ALA 46 -6.008 -6.181 15.293 320 H THR 47 H THR 47 -1.739 -7.785 15.667 321 HA THR 47 HA THR 47 -1.158 -7.052 18.462 322 HB THR 47 HB THR 47 -1.885 -9.434 18.247 323 HG1 THR 47 HG1 THR 47 0.851 -9.095 18.980 324 HG21 THR 47 HG21 THR 47 -0.607 -9.572 15.947 325 HG22 THR 47 HG22 THR 47 -0.765 -10.993 16.980 326 HG23 THR 47 HG23 THR 47 0.737 -10.068 16.975 327 H MET 48 H MET 48 -0.192 -6.767 15.329 328 HA MET 48 HA MET 48 2.673 -6.870 15.901 329 HB2 MET 48 HB2 MET 48 1.399 -6.187 13.258 330 HB3 MET 48 HB3 MET 48 3.033 -6.762 13.558 331 HG2 MET 48 HG2 MET 48 0.492 -8.341 13.873 332 HG3 MET 48 HG3 MET 48 1.690 -8.515 12.593 333 HE1 MET 48 HE1 MET 48 4.820 -9.333 14.630 334 HE2 MET 48 HE2 MET 48 4.212 -10.311 13.294 335 HE3 MET 48 HE3 MET 48 4.115 -8.551 13.215 336 H ARG 49 H ARG 49 1.047 -4.845 17.146 337 HA ARG 49 HA ARG 49 1.138 -2.626 17.637 338 HB2 ARG 49 HB2 ARG 49 3.466 -2.377 15.744 339 HB3 ARG 49 HB3 ARG 49 3.127 -1.433 17.188 340 HG2 ARG 49 HG2 ARG 49 3.359 -3.816 18.334 341 HG3 ARG 49 HG3 ARG 49 4.364 -4.107 16.913 342 HD2 ARG 49 HD2 ARG 49 5.348 -1.738 17.617 343 HD3 ARG 49 HD3 ARG 49 4.782 -2.264 19.201 344 HE ARG 49 HE ARG 49 6.272 -4.324 17.976 345 HH11 ARG 49 HH11 ARG 49 6.662 -1.214 19.490 346 HH12 ARG 49 HH12 ARG 49 8.274 -1.538 20.039 347 HH21 ARG 49 HH21 ARG 49 8.392 -4.763 18.692 348 HH22 ARG 49 HH22 ARG 49 9.257 -3.556 19.583 349 H ASN 50 H ASN 50 -0.360 -3.640 15.307 350 HA ASN 50 HA ASN 50 -1.697 -2.806 13.667 351 HB2 ASN 50 HB2 ASN 50 -0.776 -0.020 14.306 352 HB3 ASN 50 3HB ASN 50 -2.367 -0.569 13.786 353 HD21 ASN 50 HD21 ASN 50 -3.478 -2.052 15.355 354 HD22 ASN 50 HD22 ASN 50 -3.356 -1.648 17.031 355 H VAL 51 H VAL 51 1.376 -3.110 13.422 356 HA VAL 51 HA VAL 51 2.144 -1.333 11.323 357 HB VAL 51 HB VAL 51 3.366 -3.959 12.185 358 HG11 VAL 51 HG11 VAL 51 5.357 -2.472 11.036 359 HG12 VAL 51 HG12 VAL 51 4.489 -3.796 10.256 360 HG13 VAL 51 HG13 VAL 51 3.978 -2.128 9.993 361 HG21 VAL 51 HG21 VAL 51 4.466 -1.234 12.760 362 HG22 VAL 51 HG22 VAL 51 3.237 -1.946 13.805 363 HG23 VAL 51 HG23 VAL 51 4.785 -2.761 13.582 364 H ALA 52 H ALA 52 1.005 -4.685 11.444 365 HA ALA 52 HA ALA 52 1.333 -5.421 8.805 366 HB1 ALA 52 HB1 ALA 52 -1.168 -6.209 10.228 367 HB2 ALA 52 HB2 ALA 52 -0.087 -7.181 9.229 368 HB3 ALA 52 HB3 ALA 52 0.393 -6.726 10.864 369 H GLY 53 H GLY 53 -1.027 -3.267 10.211 370 HA2 GLY 53 HA1 GLY 53 -2.834 -3.251 8.008 371 HA3 GLY 53 HA2 GLY 53 -2.752 -2.052 9.291 372 H GLU 54 H GLU 54 -0.143 -1.139 8.951 373 HA GLU 54 HA GLU 54 -0.453 0.833 7.024 374 HB2 GLU 54 HB2 GLU 54 2.140 -0.260 8.130 375 HB3 GLU 54 HB3 GLU 54 1.942 1.289 7.323 376 HG2 GLU 54 HG2 GLU 54 0.213 1.768 9.181 377 HG3 GLU 54 HG3 GLU 54 1.001 0.438 10.027 378 H ILE 55 H ILE 55 1.602 -2.075 6.835 379 HA ILE 55 HA ILE 55 2.283 -1.660 4.103 380 HB ILE 55 HB ILE 55 2.482 -4.137 5.818 381 HG12 ILE 55 HG12 ILE 55 4.981 -2.957 5.024 382 HG13 ILE 55 HG13 ILE 55 3.967 -1.732 5.779 383 HG21 ILE 55 HG21 ILE 55 4.146 -4.843 4.042 384 HG22 ILE 55 HG22 ILE 55 2.443 -4.913 3.593 385 HG23 ILE 55 HG23 ILE 55 3.450 -3.580 3.028 386 HD11 ILE 55 HD11 ILE 55 5.295 -4.071 6.946 387 HD12 ILE 55 HD12 ILE 55 4.878 -2.516 7.667 388 HD13 ILE 55 HD13 ILE 55 3.652 -3.774 7.513 389 H ALA 56 H ALA 56 -0.294 -3.338 5.751 390 HA ALA 56 HA ALA 56 -1.216 -5.129 3.908 391 HB1 ALA 56 HB1 ALA 56 -3.527 -3.845 4.838 392 HB2 ALA 56 HB2 ALA 56 -2.752 -5.285 5.503 393 HB3 ALA 56 HB3 ALA 56 -2.332 -3.689 6.127 394 H ALA 57 H ALA 57 -1.868 -1.636 3.956 395 HA ALA 57 HA ALA 57 -3.625 -1.426 1.850 396 HB1 ALA 57 HB1 ALA 57 -2.595 0.855 1.484 397 HB2 ALA 57 HB2 ALA 57 -3.161 0.511 3.119 398 HB3 ALA 57 HB3 ALA 57 -1.439 0.434 2.747 399 H ALA 58 H ALA 58 -0.070 -1.192 1.635 400 HA ALA 58 HA ALA 58 0.177 -0.936 -1.101 401 HB1 ALA 58 HB1 ALA 58 1.902 -1.628 1.098 402 HB2 ALA 58 HB2 ALA 58 2.314 -2.562 -0.340 403 HB3 ALA 58 HB3 ALA 58 2.284 -0.800 -0.412 404 H LEU 59 H LEU 59 -0.560 -3.778 0.781 405 HA LEU 59 HA LEU 59 -0.009 -5.697 -1.241 406 HB2 LEU 59 HB2 LEU 59 -2.012 -6.038 0.969 407 HB3 LEU 59 3HB LEU 59 -1.046 -7.275 0.168 408 HG LEU 59 HG LEU 59 -0.220 -5.312 2.278 409 HD11 LEU 59 HD11 LEU 59 -0.448 -7.122 3.537 410 HD12 LEU 59 HD12 LEU 59 0.889 -7.853 2.649 411 HD13 LEU 59 HD13 LEU 59 -0.772 -8.126 2.123 412 HD21 LEU 59 HD21 LEU 59 1.657 -4.980 1.074 413 HD22 LEU 59 HD22 LEU 59 1.411 -6.421 0.088 414 HD23 LEU 59 HD23 LEU 59 2.092 -6.567 1.708 415 H TYR 60 H TYR 60 -3.187 -4.767 0.088 416 HA TYR 60 HA TYR 60 -4.690 -5.832 -2.010 417 HB2 TYR 60 HB2 TYR 60 -5.500 -3.461 -0.325 418 HB3 TYR 60 3HB TYR 60 -6.557 -4.631 -1.108 419 HD1 TYR 60 HD1 TYR 60 -6.666 -6.965 -0.234 420 HD2 TYR 60 HD2 TYR 60 -4.566 -3.886 1.819 421 HE1 TYR 60 HE1 TYR 60 -6.683 -8.327 1.814 422 HE2 TYR 60 HE2 TYR 60 -4.577 -5.239 3.872 423 HH TYR 60 HH TYR 60 -4.736 -7.838 4.363 424 H ALA 61 H ALA 61 -2.903 -2.894 -1.791 425 HA ALA 61 HA ALA 61 -4.260 -1.357 -3.726 426 HB1 ALA 61 HB1 ALA 61 -1.351 -1.290 -2.932 427 HB2 ALA 61 HB2 ALA 61 -2.193 -0.045 -3.855 428 HB3 ALA 61 HB3 ALA 61 -2.658 -0.370 -2.186 429 H VAL 62 H VAL 62 -1.633 -3.710 -3.975 430 HA VAL 62 HA VAL 62 -1.250 -3.307 -6.789 431 HB VAL 62 HB VAL 62 -0.323 -5.549 -4.988 432 HG11 VAL 62 HG11 VAL 62 0.516 -4.863 -7.804 433 HG12 VAL 62 HG12 VAL 62 1.240 -6.108 -6.784 434 HG13 VAL 62 HG13 VAL 62 -0.433 -6.268 -7.319 435 HG21 VAL 62 HG21 VAL 62 1.398 -3.380 -6.127 436 HG22 VAL 62 HG22 VAL 62 0.482 -3.112 -4.644 437 HG23 VAL 62 HG23 VAL 62 1.679 -4.404 -4.719 438 H LYS 63 H LYS 63 -2.884 -5.731 -4.788 439 HA LYS 63 HA LYS 63 -3.596 -7.572 -6.714 440 HB2 LYS 63 HB2 LYS 63 -5.325 -6.662 -4.406 441 HB3 LYS 63 HB3 LYS 63 -5.449 -8.196 -5.258 442 HG2 LYS 63 HG2 LYS 63 -3.261 -8.855 -4.445 443 HG3 LYS 63 HG3 LYS 63 -3.074 -7.295 -3.640 444 HD2 LYS 63 HD2 LYS 63 -3.981 -8.247 -1.839 445 HD3 LYS 63 HD3 LYS 63 -5.511 -8.248 -2.719 446 HE2 LYS 63 HE2 LYS 63 -3.595 -10.470 -3.209 447 HE3 LYS 63 HE3 LYS 63 -4.494 -10.462 -1.693 448 HZ1 LYS 63 HZ1 LYS 63 -5.417 -10.973 -4.383 449 HZ2 LYS 63 HZ2 LYS 63 -6.427 -9.959 -3.481 450 HZ3 LYS 63 HZ3 LYS 63 -6.045 -11.503 -2.903 451 H LYS 64 H LYS 64 -5.359 -4.638 -5.757 452 HA LYS 64 HA LYS 64 -7.394 -5.011 -7.745 453 HB2 LYS 64 HB2 LYS 64 -6.871 -3.197 -5.540 454 HB3 LYS 64 HB3 LYS 64 -7.450 -2.333 -6.958 455 HG2 LYS 64 HG2 LYS 64 -8.839 -4.730 -5.787 456 HG3 LYS 64 HG3 LYS 64 -9.225 -3.061 -5.360 457 HD2 LYS 64 HD2 LYS 64 -9.432 -2.772 -7.958 458 HD3 LYS 64 HD3 LYS 64 -9.668 -4.521 -7.926 459 HE2 LYS 64 HE2 LYS 64 -11.243 -2.654 -6.174 460 HE3 LYS 64 HE3 LYS 64 -11.753 -3.057 -7.813 461 HZ1 LYS 64 HZ1 LYS 64 -12.724 -4.448 -5.978 462 HZ2 LYS 64 HZ2 LYS 64 -11.187 -5.122 -5.767 463 HZ3 LYS 64 HZ3 LYS 64 -11.998 -5.311 -7.239 464 H ALA 65 H ALA 65 -4.349 -3.323 -7.543 465 HA ALA 65 HA ALA 65 -4.572 -1.469 -9.579 466 HB1 ALA 65 HB1 ALA 65 -2.629 -1.603 -8.125 467 HB2 ALA 65 HB2 ALA 65 -2.160 -3.133 -8.868 468 HB3 ALA 65 HB3 ALA 65 -2.140 -1.648 -9.819 469 H SER 66 H SER 66 -4.179 -4.939 -9.778 470 HA SER 66 HA SER 66 -3.542 -4.976 -12.572 471 HB2 SER 66 HB2 SER 66 -2.755 -6.853 -11.397 472 HB3 SER 66 3HB SER 66 -4.289 -7.085 -10.558 473 HG SER 66 HG SER 66 -4.068 -7.338 -13.363 474 H GLN 67 H GLN 67 -6.452 -5.024 -10.668 475 HA GLN 67 HA GLN 67 -8.186 -5.998 -12.706 476 HB2 GLN 67 HB2 GLN 67 -8.683 -4.478 -10.149 477 HB3 GLN 67 HB3 GLN 67 -9.983 -4.984 -11.221 478 HG2 GLN 67 HG2 GLN 67 -8.728 -7.326 -10.934 479 HG3 GLN 67 HG3 GLN 67 -8.296 -6.575 -9.398 480 HE21 GLN 67 HE21 GLN 67 -11.210 -6.580 -11.426 481 HE22 GLN 67 HE22 GLN 67 -12.289 -7.075 -10.171 482 H LEU 68 H LEU 68 -7.239 -2.775 -11.609 483 HA LEU 68 HA LEU 68 -8.978 -1.459 -13.499 484 HB2 LEU 68 HB2 LEU 68 -6.741 -0.226 -11.911 485 HB3 LEU 68 3HB LEU 68 -8.137 0.584 -12.619 486 HG LEU 68 HG LEU 68 -9.175 -1.316 -10.833 487 HD11 LEU 68 HD11 LEU 68 -7.391 0.330 -9.169 488 HD12 LEU 68 HD12 LEU 68 -6.619 -0.997 -10.037 489 HD13 LEU 68 HD13 LEU 68 -7.960 -1.324 -8.940 490 HD21 LEU 68 HD21 LEU 68 -8.806 1.663 -10.535 491 HD22 LEU 68 HD22 LEU 68 -9.941 0.666 -9.625 492 HD23 LEU 68 HD23 LEU 68 -10.137 0.861 -11.368 493 H GLY 69 H GLY 69 -6.212 -3.131 -13.890 494 HA2 GLY 69 HA1 GLY 69 -4.645 -3.240 -15.564 495 HA3 GLY 69 HA2 GLY 69 -5.724 -2.212 -16.495 496 H VAL 70 H VAL 70 -4.706 -0.928 -13.497 497 HA VAL 70 HA VAL 70 -2.904 0.911 -14.917 498 HB VAL 70 HB VAL 70 -3.317 2.533 -13.221 499 HG11 VAL 70 HG11 VAL 70 -5.235 1.679 -14.925 500 HG12 VAL 70 HG12 VAL 70 -6.086 1.553 -13.384 501 HG13 VAL 70 HG13 VAL 70 -5.393 3.095 -13.887 502 HG21 VAL 70 HG21 VAL 70 -3.467 1.745 -11.131 503 HG22 VAL 70 HG22 VAL 70 -5.191 1.584 -11.465 504 HG23 VAL 70 HG23 VAL 70 -4.122 0.195 -11.662 505 H LYS 71 H LYS 71 -1.306 1.942 -13.153 506 HA LYS 71 HA LYS 71 -0.106 -0.203 -11.557 507 HB2 LYS 71 HB2 LYS 71 1.263 1.388 -13.718 508 HB3 LYS 71 HB3 LYS 71 2.164 0.609 -12.424 509 HG2 LYS 71 HG2 LYS 71 2.263 -0.945 -14.128 510 HG3 LYS 71 HG3 LYS 71 0.914 -1.529 -13.151 511 HD2 LYS 71 HD2 LYS 71 -0.586 -1.149 -14.782 512 HD3 LYS 71 HD3 LYS 71 0.156 0.386 -15.238 513 HE2 LYS 71 HE2 LYS 71 1.402 -0.557 -16.855 514 HE3 LYS 71 HE3 LYS 71 1.755 -1.987 -15.887 515 HZ1 LYS 71 HZ1 LYS 71 0.457 -2.820 -17.581 516 HZ2 LYS 71 HZ2 LYS 71 -0.551 -1.463 -17.643 517 HZ3 LYS 71 HZ3 LYS 71 -0.695 -2.566 -16.368 518 H ILE 72 H ILE 72 1.305 0.533 -9.885 519 HA ILE 72 HA ILE 72 0.679 3.266 -9.028 520 HB ILE 72 HB ILE 72 1.379 2.566 -6.795 521 HG12 ILE 72 HG12 ILE 72 2.022 -0.031 -8.190 522 HG13 ILE 72 HG13 ILE 72 3.103 0.982 -7.240 523 HG21 ILE 72 HG21 ILE 72 -0.379 0.315 -7.449 524 HG22 ILE 72 HG22 ILE 72 -0.625 1.665 -6.344 525 HG23 ILE 72 HG23 ILE 72 -0.920 1.874 -8.070 526 HD11 ILE 72 HD11 ILE 72 2.607 -0.856 -5.882 527 HD12 ILE 72 HD12 ILE 72 1.602 0.455 -5.264 528 HD13 ILE 72 HD13 ILE 72 0.890 -0.796 -6.282 529 H ARG 73 H ARG 73 2.560 4.096 -7.470 530 HA ARG 73 HA ARG 73 4.655 4.915 -9.086 531 HB2 ARG 73 HB2 ARG 73 3.880 5.888 -6.854 532 HB3 ARG 73 HB3 ARG 73 4.882 4.660 -6.092 533 HG2 ARG 73 HG2 ARG 73 6.859 5.595 -6.907 534 HG3 ARG 73 HG3 ARG 73 6.008 6.551 -8.123 535 HD2 ARG 73 HD2 ARG 73 5.222 8.080 -6.539 536 HD3 ARG 73 HD3 ARG 73 5.534 6.983 -5.195 537 HE ARG 73 HE ARG 73 7.700 7.729 -5.127 538 HH11 ARG 73 HH11 ARG 73 6.223 8.745 -8.111 539 HH12 ARG 73 HH12 ARG 73 7.540 9.775 -8.564 540 HH21 ARG 73 HH21 ARG 73 9.441 9.081 -5.713 541 HH22 ARG 73 HH22 ARG 73 9.371 9.965 -7.200 542 H ILE 74 H ILE 74 6.307 3.840 -9.921 543 HA ILE 74 HA ILE 74 7.475 1.620 -8.377 544 HB ILE 74 HB ILE 74 7.913 0.420 -10.474 545 HG12 ILE 74 HG12 ILE 74 6.274 2.638 -11.718 546 HG13 ILE 74 HG13 ILE 74 7.974 2.296 -12.021 547 HG21 ILE 74 HG21 ILE 74 5.909 -0.625 -10.445 548 HG22 ILE 74 HG22 ILE 74 5.635 0.433 -9.062 549 HG23 ILE 74 HG23 ILE 74 5.002 0.874 -10.647 550 HD11 ILE 74 HD11 ILE 74 5.598 0.635 -12.805 551 HD12 ILE 74 HD12 ILE 74 6.741 1.465 -13.861 552 HD13 ILE 74 HD13 ILE 74 7.265 0.070 -12.919 553 H LEU 75 H LEU 75 7.954 4.198 -10.718 554 HA LEU 75 HA LEU 75 10.711 3.839 -11.145 555 HB2 LEU 75 HB2 LEU 75 8.739 5.990 -11.572 556 HB3 LEU 75 3HB LEU 75 10.423 6.498 -11.471 557 HG LEU 75 HG LEU 75 9.637 6.149 -13.788 558 HD11 LEU 75 HD11 LEU 75 11.612 5.200 -14.526 559 HD12 LEU 75 HD12 LEU 75 11.674 4.041 -13.199 560 HD13 LEU 75 HD13 LEU 75 12.036 5.741 -12.901 561 HD21 LEU 75 HD21 LEU 75 9.491 3.234 -13.035 562 HD22 LEU 75 HD22 LEU 75 9.164 3.945 -14.615 563 HD23 LEU 75 HD23 LEU 75 8.088 4.279 -13.257 564 H HIS 76 H HIS 76 11.818 3.488 -9.244 565 HA HIS 76 HA HIS 76 12.880 3.961 -7.283 566 HB2 HIS 76 HB2 HIS 76 12.715 6.789 -8.346 567 HB3 HIS 76 3HB HIS 76 13.819 6.218 -7.098 568 HD1 HIS 76 HD1 HIS 76 13.875 7.053 -10.498 569 HD2 HIS 76 HD2 HIS 76 15.400 3.861 -8.320 570 HE1 HIS 76 HE1 HIS 76 15.697 6.073 -11.928 571 H ASP 77 H ASP 77 10.065 3.787 -7.089 572 HA ASP 77 HA ASP 77 8.749 5.821 -5.775 573 HB2 ASP 77 HB2 ASP 77 7.622 3.775 -6.468 574 HB3 ASP 77 3HB ASP 77 8.535 2.844 -5.285 575 H TYR 78 H TYR 78 10.451 3.114 -4.188 576 HA TYR 78 HA TYR 78 11.581 2.987 -2.215 577 HB2 TYR 78 HB2 TYR 78 11.912 5.724 -3.041 578 HB3 TYR 78 3HB TYR 78 11.759 5.646 -1.290 579 HD1 TYR 78 HD1 TYR 78 13.482 3.664 -3.960 580 HD2 TYR 78 HD2 TYR 78 13.757 5.555 -0.158 581 HE1 TYR 78 HE1 TYR 78 15.836 2.970 -3.791 582 HE2 TYR 78 HE2 TYR 78 16.112 4.867 0.020 583 HH TYR 78 HH TYR 78 17.628 3.245 -0.870 584 H ALA 79 H ALA 79 9.716 5.934 -1.552 585 HA ALA 79 HA ALA 79 8.178 6.430 0.052 586 HB1 ALA 79 HB1 ALA 79 7.136 3.654 0.093 587 HB2 ALA 79 HB2 ALA 79 6.274 5.188 -0.018 588 HB3 ALA 79 HB3 ALA 79 7.081 4.526 -1.439 589 H GLY 80 H GLY 80 7.049 5.076 2.135 590 HA2 GLY 80 HA1 GLY 80 9.168 5.029 4.025 591 HA3 GLY 80 HA2 GLY 80 7.497 4.585 4.336 592 H ILE 81 H ILE 81 7.645 2.559 2.121 593 HA ILE 81 HA ILE 81 8.301 0.326 3.718 594 HB ILE 81 HB ILE 81 7.673 0.654 0.802 595 HG12 ILE 81 HG12 ILE 81 5.774 -0.881 1.520 596 HG13 ILE 81 HG13 ILE 81 6.322 -0.636 3.175 597 HG21 ILE 81 HG21 ILE 81 8.637 -1.827 2.196 598 HG22 ILE 81 HG22 ILE 81 7.660 -1.885 0.730 599 HG23 ILE 81 HG23 ILE 81 9.239 -1.100 0.707 600 HD11 ILE 81 HD11 ILE 81 5.428 1.410 3.293 601 HD12 ILE 81 HD12 ILE 81 5.901 1.826 1.645 602 HD13 ILE 81 HD13 ILE 81 4.451 0.864 1.931 603 H ALA 82 H ALA 82 10.095 2.160 1.333 604 HA ALA 82 HA ALA 82 12.233 0.275 1.080 605 HB1 ALA 82 HB1 ALA 82 12.000 1.672 -0.765 606 HB2 ALA 82 HB2 ALA 82 11.844 3.121 0.228 607 HB3 ALA 82 HB3 ALA 82 13.410 2.326 0.067 608 H PHE 83 H PHE 83 11.310 2.239 3.582 609 HA PHE 83 HA PHE 83 13.805 3.252 4.474 610 HB2 PHE 83 HB2 PHE 83 11.500 4.036 5.193 611 HB3 PHE 83 3HB PHE 83 11.428 2.606 6.219 612 HD1 PHE 83 HD1 PHE 83 13.046 5.847 5.683 613 HD2 PHE 83 HD2 PHE 83 12.743 2.444 8.221 614 HE1 PHE 83 HE1 PHE 83 14.238 7.068 7.457 615 HE2 PHE 83 HE2 PHE 83 13.933 3.659 9.999 616 HZ PHE 83 HZ PHE 83 14.681 5.974 9.619 617 H TRP 84 H TRP 84 11.847 0.523 5.680 618 HA TRP 84 HA TRP 84 14.089 -0.497 7.191 619 HB2 TRP 84 HB2 TRP 84 12.553 -1.690 8.342 620 HB3 TRP 84 3HB TRP 84 11.387 -0.639 7.542 621 HD1 TRP 84 HD1 TRP 84 12.883 -4.179 7.260 622 HE1 TRP 84 HE1 TRP 84 11.226 -5.652 5.953 623 HE3 TRP 84 HE3 TRP 84 9.487 -0.597 5.928 624 HZ2 TRP 84 HZ2 TRP 84 8.801 -5.338 4.544 625 HZ3 TRP 84 HZ3 TRP 84 7.527 -1.266 4.600 626 HH2 TRP 84 HH2 TRP 84 7.193 -3.588 3.923 627 H ALA 85 H ALA 85 12.854 -0.859 4.044 628 HA ALA 85 HA ALA 85 13.446 -3.519 3.445 629 HB1 ALA 85 HB1 ALA 85 12.449 -1.409 2.048 630 HB2 ALA 85 HB2 ALA 85 14.033 -1.613 1.298 631 HB3 ALA 85 HB3 ALA 85 12.899 -2.963 1.343 632 H THR 86 H THR 86 15.536 -0.877 4.094 633 HA THR 86 HA THR 86 17.819 -1.678 2.645 634 HB THR 86 HB THR 86 19.097 -0.272 4.245 635 HG1 THR 86 HG1 THR 86 18.173 -0.266 6.174 636 HG21 THR 86 HG21 THR 86 16.545 1.083 3.380 637 HG22 THR 86 HG22 THR 86 17.857 0.674 2.276 638 HG23 THR 86 HG23 THR 86 18.134 1.816 3.591 639 H GLY 87 H GLY 87 16.336 -2.955 5.454 640 HA2 GLY 87 HA1 GLY 87 16.936 -5.111 6.282 641 HA3 GLY 87 HA2 GLY 87 18.589 -4.815 5.764 642 H GLU 88 H GLU 88 16.153 -3.967 8.167 643 HA GLU 88 HA GLU 88 18.246 -2.857 9.893 644 HB2 GLU 88 HB2 GLU 88 15.411 -2.345 9.525 645 HB3 GLU 88 HB3 GLU 88 15.805 -2.617 11.217 646 HG2 GLU 88 HG2 GLU 88 17.775 -0.928 10.592 647 HG3 GLU 88 HG3 GLU 88 16.568 -0.402 9.420 648 H TRP 89 H TRP 89 16.028 -5.521 9.594 649 HA TRP 89 HA TRP 89 17.367 -6.875 11.789 650 HB2 TRP 89 HB2 TRP 89 14.817 -5.657 12.141 651 HB3 TRP 89 3HB TRP 89 14.584 -7.403 12.137 652 HD1 TRP 89 HD1 TRP 89 15.986 -4.586 14.231 653 HE1 TRP 89 HE1 TRP 89 16.735 -5.513 16.512 654 HE3 TRP 89 HE3 TRP 89 15.577 -9.586 13.248 655 HZ2 TRP 89 HZ2 TRP 89 17.104 -8.031 17.733 656 HZ3 TRP 89 HZ3 TRP 89 16.147 -11.188 15.027 657 HH2 TRP 89 HH2 TRP 89 16.895 -10.425 17.222 658 H LYS 90 H LYS 90 16.884 -9.179 11.860 659 HA LYS 90 HA LYS 90 17.043 -10.441 9.418 660 HB2 LYS 90 HB2 LYS 90 16.875 -11.226 12.141 661 HB3 LYS 90 HB3 LYS 90 15.716 -12.200 11.245 662 HG2 LYS 90 HG2 LYS 90 17.709 -13.431 11.235 663 HG3 LYS 90 HG3 LYS 90 17.604 -12.704 9.630 664 HD2 LYS 90 HD2 LYS 90 19.824 -12.348 10.261 665 HD3 LYS 90 HD3 LYS 90 19.034 -10.810 10.618 666 HE2 LYS 90 HE2 LYS 90 19.291 -11.049 12.852 667 HE3 LYS 90 HE3 LYS 90 19.043 -12.794 12.801 668 HZ1 LYS 90 HZ1 LYS 90 21.506 -11.733 11.635 669 HZ2 LYS 90 HZ2 LYS 90 21.238 -13.190 12.451 670 HZ3 LYS 90 HZ3 LYS 90 21.383 -11.747 13.323 671 H ALA 91 H ALA 91 15.561 -11.769 8.235 672 HA ALA 91 HA ALA 91 13.093 -10.522 7.702 673 HB1 ALA 91 HB1 ALA 91 14.654 -12.243 6.340 674 HB2 ALA 91 HB2 ALA 91 13.380 -13.337 6.881 675 HB3 ALA 91 HB3 ALA 91 12.971 -11.909 5.929 676 H LYS 92 H LYS 92 13.972 -13.285 9.688 677 HA LYS 92 HA LYS 92 11.446 -14.378 10.125 678 HB2 LYS 92 HB2 LYS 92 13.993 -14.905 11.010 679 HB3 LYS 92 HB3 LYS 92 13.189 -14.379 12.483 680 HG2 LYS 92 HG2 LYS 92 11.337 -16.067 11.666 681 HG3 LYS 92 HG3 LYS 92 12.704 -16.781 10.807 682 HD2 LYS 92 HD2 LYS 92 13.859 -17.238 12.791 683 HD3 LYS 92 HD3 LYS 92 12.868 -16.119 13.730 684 HE2 LYS 92 HE2 LYS 92 11.347 -18.263 12.449 685 HE3 LYS 92 HE3 LYS 92 12.535 -18.836 13.619 686 HZ1 LYS 92 HZ1 LYS 92 10.307 -16.938 14.088 687 HZ2 LYS 92 HZ2 LYS 92 11.559 -17.180 15.199 688 HZ3 LYS 92 HZ3 LYS 92 10.534 -18.461 14.788 689 H ASN 93 H ASN 93 13.115 -11.750 11.808 690 HA ASN 93 HA ASN 93 11.436 -11.320 13.936 691 HB2 ASN 93 HB2 ASN 93 13.515 -9.917 12.698 692 HB3 ASN 93 3HB ASN 93 12.161 -8.792 12.713 693 HD21 ASN 93 HD21 ASN 93 12.966 -7.433 14.242 694 HD22 ASN 93 HD22 ASN 93 13.190 -7.881 15.896 695 H GLU 94 H GLU 94 9.351 -10.864 14.140 696 HA GLU 94 HA GLU 94 7.231 -10.165 13.700 697 HB2 GLU 94 HB2 GLU 94 8.737 -8.047 13.063 698 HB3 GLU 94 HB3 GLU 94 8.081 -8.394 11.469 699 HG2 GLU 94 HG2 GLU 94 5.857 -8.088 12.218 700 HG3 GLU 94 HG3 GLU 94 6.360 -8.057 13.907 701 H PHE 95 H PHE 95 5.555 -10.018 11.899 702 HA PHE 95 HA PHE 95 6.008 -12.264 10.106 703 HB2 PHE 95 HB2 PHE 95 3.683 -10.975 11.337 704 HB3 PHE 95 3HB PHE 95 3.428 -11.411 9.651 705 HD1 PHE 95 HD1 PHE 95 3.770 -13.791 8.945 706 HD2 PHE 95 HD2 PHE 95 3.674 -12.600 13.031 707 HE1 PHE 95 HE1 PHE 95 3.341 -16.120 9.611 708 HE2 PHE 95 HE2 PHE 95 3.246 -14.928 13.702 709 HZ PHE 95 HZ PHE 95 3.079 -16.692 11.992 710 H THR 96 H THR 96 6.752 -9.164 9.886 711 HA THR 96 HA THR 96 5.571 -8.106 7.618 712 HB THR 96 HB THR 96 8.490 -7.662 7.869 713 HG1 THR 96 HG1 THR 96 6.630 -7.104 9.948 714 HG21 THR 96 HG21 THR 96 6.775 -6.351 6.471 715 HG22 THR 96 HG22 THR 96 7.927 -5.429 7.436 716 HG23 THR 96 HG23 THR 96 6.272 -5.642 8.004 717 H GLN 97 H GLN 97 7.909 -10.656 7.900 718 HA GLN 97 HA GLN 97 9.141 -10.693 5.452 719 HB2 GLN 97 HB2 GLN 97 8.900 -12.454 7.576 720 HB3 GLN 97 HB3 GLN 97 8.229 -13.354 6.222 721 HG2 GLN 97 HG2 GLN 97 10.609 -12.118 5.327 722 HG3 GLN 97 HG3 GLN 97 10.950 -12.881 6.879 723 HE21 GLN 97 HE21 GLN 97 9.197 -15.027 6.738 724 HE22 GLN 97 HE22 GLN 97 9.730 -16.104 5.497 725 H ALA 98 H ALA 98 5.931 -11.970 6.254 726 HA ALA 98 HA ALA 98 5.207 -13.216 3.943 727 HB1 ALA 98 HB1 ALA 98 3.840 -12.045 6.157 728 HB2 ALA 98 HB2 ALA 98 2.965 -11.668 4.673 729 HB3 ALA 98 HB3 ALA 98 3.313 -13.346 5.089 730 H TYR 99 H TYR 99 5.505 -9.766 4.483 731 HA TYR 99 HA TYR 99 4.139 -8.765 2.291 732 HB2 TYR 99 HB2 TYR 99 5.019 -7.296 4.002 733 HB3 TYR 99 3HB TYR 99 6.671 -7.746 3.593 734 HD1 TYR 99 HD1 TYR 99 3.957 -6.990 1.187 735 HD2 TYR 99 HD2 TYR 99 7.549 -5.631 3.017 736 HE1 TYR 99 HE1 TYR 99 4.063 -5.128 -0.417 737 HE2 TYR 99 HE2 TYR 99 7.665 -3.764 1.419 738 HH TYR 99 HH TYR 99 5.653 -2.480 -0.058 739 H ALA 100 H ALA 100 7.605 -9.581 2.484 740 HA ALA 100 HA ALA 100 8.255 -9.070 -0.174 741 HB1 ALA 100 HB1 ALA 100 10.292 -9.882 0.344 742 HB2 ALA 100 HB2 ALA 100 9.660 -9.844 1.991 743 HB3 ALA 100 HB3 ALA 100 9.641 -11.350 1.073 744 H LYS 101 H LYS 101 6.732 -11.855 1.295 745 HA LYS 101 HA LYS 101 7.025 -13.574 -0.972 746 HB2 LYS 101 HB2 LYS 101 4.942 -13.853 1.187 747 HB3 LYS 101 HB3 LYS 101 5.675 -15.122 0.213 748 HG2 LYS 101 HG2 LYS 101 7.846 -14.029 1.463 749 HG3 LYS 101 HG3 LYS 101 6.590 -13.893 2.695 750 HD2 LYS 101 HD2 LYS 101 6.304 -16.175 2.846 751 HD3 LYS 101 HD3 LYS 101 6.902 -16.464 1.211 752 HE2 LYS 101 HE2 LYS 101 8.898 -15.276 2.973 753 HE3 LYS 101 HE3 LYS 101 8.315 -16.839 3.544 754 HZ1 LYS 101 HZ1 LYS 101 10.094 -16.278 1.422 755 HZ2 LYS 101 HZ2 LYS 101 8.746 -17.104 0.822 756 HZ3 LYS 101 HZ3 LYS 101 9.660 -17.777 2.076 757 H LEU 102 H LEU 102 4.328 -11.675 0.358 758 HA LEU 102 HA LEU 102 2.410 -12.354 -1.552 759 HB2 LEU 102 HB2 LEU 102 2.802 -10.153 0.379 760 HB3 LEU 102 3HB LEU 102 1.681 -9.839 -0.944 761 HG LEU 102 HG LEU 102 1.469 -12.097 1.046 762 HD11 LEU 102 HD11 LEU 102 -0.491 -9.868 0.803 763 HD12 LEU 102 HD12 LEU 102 1.001 -9.606 1.704 764 HD13 LEU 102 HD13 LEU 102 -0.107 -10.888 2.189 765 HD21 LEU 102 HD21 LEU 102 0.450 -11.943 -1.533 766 HD22 LEU 102 HD22 LEU 102 -0.893 -11.462 -0.496 767 HD23 LEU 102 HD23 LEU 102 -0.095 -13.014 -0.242 768 H MET 103 H MET 103 5.198 -10.381 -1.819 769 HA MET 103 HA MET 103 4.462 -8.576 -3.810 770 HB2 MET 103 HB2 MET 103 6.585 -8.397 -2.652 771 HB3 MET 103 HB3 MET 103 7.121 -9.930 -3.327 772 HG2 MET 103 HG2 MET 103 6.339 -8.089 -5.405 773 HG3 MET 103 HG3 MET 103 7.568 -7.391 -4.354 774 HE1 MET 103 HE1 MET 103 9.737 -7.344 -5.900 775 HE2 MET 103 HE2 MET 103 9.906 -7.966 -4.258 776 HE3 MET 103 HE3 MET 103 10.721 -8.776 -5.597 777 H ASN 104 H ASN 104 6.315 -11.579 -4.353 778 HA ASN 104 HA ASN 104 6.032 -11.644 -7.113 779 HB2 ASN 104 HB2 ASN 104 7.633 -13.066 -5.983 780 HB3 ASN 104 3HB ASN 104 6.340 -13.936 -5.164 781 HD21 ASN 104 HD21 ASN 104 4.925 -15.244 -6.442 782 HD22 ASN 104 HD22 ASN 104 5.485 -15.927 -7.928 783 H GLN 105 H GLN 105 3.830 -12.668 -4.604 784 HA GLN 105 HA GLN 105 2.125 -14.356 -5.945 785 HB2 GLN 105 HB2 GLN 105 2.078 -12.916 -3.534 786 HB3 GLN 105 HB3 GLN 105 0.593 -12.483 -4.371 787 HG2 GLN 105 HG2 GLN 105 1.312 -15.354 -4.256 788 HG3 GLN 105 HG3 GLN 105 0.766 -14.584 -2.768 789 HE21 GLN 105 HE21 GLN 105 -0.151 -14.373 -6.193 790 HE22 GLN 105 HE22 GLN 105 -1.839 -14.631 -5.932 791 H TYR 106 H TYR 106 2.126 -10.812 -5.962 792 HA TYR 106 HA TYR 106 0.475 -10.909 -8.393 793 HB2 TYR 106 HB2 TYR 106 -0.505 -8.675 -7.505 794 HB3 TYR 106 3HB TYR 106 -1.120 -10.189 -6.851 795 HD1 TYR 106 HD1 TYR 106 1.762 -7.909 -6.125 796 HD2 TYR 106 HD2 TYR 106 -1.523 -10.135 -4.590 797 HE1 TYR 106 HE1 TYR 106 2.313 -7.144 -3.854 798 HE2 TYR 106 HE2 TYR 106 -0.982 -9.375 -2.314 799 HH TYR 106 HH TYR 106 0.384 -8.172 -1.051 800 H ARG 107 H ARG 107 3.322 -10.700 -8.152 801 HA ARG 107 HA ARG 107 4.036 -7.935 -8.558 802 HB2 ARG 107 HB2 ARG 107 5.706 -9.241 -7.511 803 HB3 ARG 107 HB3 ARG 107 5.558 -10.528 -8.700 804 HG2 ARG 107 HG2 ARG 107 6.307 -8.003 -9.911 805 HG3 ARG 107 HG3 ARG 107 7.451 -8.524 -8.673 806 HD2 ARG 107 HD2 ARG 107 7.705 -10.670 -9.769 807 HD3 ARG 107 HD3 ARG 107 6.485 -10.231 -10.963 808 HE ARG 107 HE ARG 107 8.519 -8.310 -11.026 809 HH11 ARG 107 HH11 ARG 107 8.016 -11.672 -11.776 810 HH12 ARG 107 HH12 ARG 107 9.218 -11.709 -13.023 811 HH21 ARG 107 HH21 ARG 107 10.105 -8.346 -12.665 812 HH22 ARG 107 HH22 ARG 107 10.407 -9.816 -13.527 813 H GLY 108 H GLY 108 4.099 -6.869 -10.434 814 HA2 GLY 108 HA1 GLY 108 4.914 -7.608 -12.892 815 HA3 GLY 108 HA2 GLY 108 3.275 -8.241 -12.850 816 H ILE 109 H ILE 109 2.585 -5.890 -11.025 817 HA ILE 109 HA ILE 109 2.209 -3.952 -13.208 818 HB ILE 109 HB ILE 109 0.369 -3.057 -11.659 819 HG12 ILE 109 HG12 ILE 109 1.358 -4.695 -9.807 820 HG13 ILE 109 HG13 ILE 109 -0.352 -4.282 -9.859 821 HG21 ILE 109 HG21 ILE 109 0.268 -5.646 -13.159 822 HG22 ILE 109 HG22 ILE 109 -1.173 -4.995 -12.381 823 HG23 ILE 109 HG23 ILE 109 -0.347 -4.061 -13.628 824 HD11 ILE 109 HD11 ILE 109 0.804 -6.734 -11.154 825 HD12 ILE 109 HD12 ILE 109 0.146 -6.700 -9.518 826 HD13 ILE 109 HD13 ILE 109 -0.897 -6.347 -10.896 827 H TYR 110 H TYR 110 3.267 -4.339 -9.888 828 HA TYR 110 HA TYR 110 4.152 -1.528 -9.888 829 HB2 TYR 110 HB2 TYR 110 3.787 -1.389 -7.591 830 HB3 TYR 110 3HB TYR 110 2.432 -2.372 -8.133 831 HD1 TYR 110 HD1 TYR 110 2.692 -4.928 -7.948 832 HD2 TYR 110 HD2 TYR 110 5.200 -2.166 -5.904 833 HE1 TYR 110 HE1 TYR 110 3.330 -6.693 -6.358 834 HE2 TYR 110 HE2 TYR 110 5.846 -3.923 -4.309 835 HH TYR 110 HH TYR 110 4.411 -6.363 -3.580 836 H SER 111 H SER 111 6.038 -1.299 -8.176 837 HA SER 111 HA SER 111 7.918 -3.523 -8.357 838 HB2 SER 111 HB2 SER 111 8.875 -0.788 -9.156 839 HB3 SER 111 3HB SER 111 9.611 -2.358 -9.477 840 HG SER 111 HG SER 111 8.681 -1.801 -11.366 841 H PHE 112 H PHE 112 9.700 -3.352 -6.894 842 HA PHE 112 HA PHE 112 9.945 -1.171 -5.077 843 HB2 PHE 112 HB2 PHE 112 8.058 -3.252 -4.421 844 HB3 PHE 112 3HB PHE 112 9.374 -3.234 -3.251 845 HD1 PHE 112 HD1 PHE 112 9.912 -1.059 -2.084 846 HD2 PHE 112 HD2 PHE 112 6.359 -1.653 -4.351 847 HE1 PHE 112 HE1 PHE 112 8.867 0.852 -0.940 848 HE2 PHE 112 HE2 PHE 112 5.308 0.258 -3.212 849 HZ PHE 112 HZ PHE 112 6.562 1.513 -1.503 850 H GLU 113 H GLU 113 11.434 -1.830 -3.185 851 HA GLU 113 HA GLU 113 13.628 -3.353 -4.348 852 HB2 GLU 113 HB2 GLU 113 13.428 -1.081 -2.651 853 HB3 GLU 113 HB3 GLU 113 14.266 -2.340 -1.754 854 HG2 GLU 113 HG2 GLU 113 15.875 -2.571 -3.575 855 HG3 GLU 113 HG3 GLU 113 15.036 -1.309 -4.475 856 H LYS 114 H LYS 114 14.987 -4.348 -2.273 857 HA LYS 114 HA LYS 114 13.433 -6.652 -1.551 858 HB2 LYS 114 HB2 LYS 114 15.793 -6.879 -2.138 859 HB3 LYS 114 HB3 LYS 114 16.246 -5.842 -0.792 860 HG2 LYS 114 HG2 LYS 114 16.169 -7.523 0.665 861 HG3 LYS 114 HG3 LYS 114 14.628 -8.111 0.036 862 HD2 LYS 114 HD2 LYS 114 15.992 -9.875 -0.499 863 HD3 LYS 114 HD3 LYS 114 16.130 -8.912 -1.972 864 HE2 LYS 114 HE2 LYS 114 18.340 -9.130 -1.635 865 HE3 LYS 114 HE3 LYS 114 18.109 -7.839 -0.457 866 HZ1 LYS 114 HZ1 LYS 114 17.586 -10.470 0.587 867 HZ2 LYS 114 HZ2 LYS 114 18.519 -9.216 1.234 868 HZ3 LYS 114 HZ3 LYS 114 19.186 -10.256 0.078 869 H VAL 115 H VAL 115 12.257 -6.915 0.225 870 HA VAL 115 HA VAL 115 12.800 -5.169 2.539 871 HB VAL 115 HB VAL 115 10.214 -5.908 2.923 872 HG11 VAL 115 HG11 VAL 115 11.315 -3.637 3.006 873 HG12 VAL 115 HG12 VAL 115 10.975 -3.505 1.280 874 HG13 VAL 115 HG13 VAL 115 9.648 -3.663 2.432 875 HG21 VAL 115 HG21 VAL 115 8.972 -5.904 0.942 876 HG22 VAL 115 HG22 VAL 115 10.324 -5.294 -0.013 877 HG23 VAL 115 HG23 VAL 115 10.344 -6.953 0.584 878 H LYS 116 H LYS 116 13.857 -6.412 3.962 879 HA LYS 116 HA LYS 116 13.514 -9.214 4.214 880 HB2 LYS 116 HB2 LYS 116 14.997 -7.094 5.668 881 HB3 LYS 116 HB3 LYS 116 14.667 -8.576 6.556 882 HG2 LYS 116 HG2 LYS 116 15.617 -9.352 4.024 883 HG3 LYS 116 HG3 LYS 116 16.673 -8.057 4.593 884 HD2 LYS 116 HD2 LYS 116 16.509 -9.477 6.847 885 HD3 LYS 116 HD3 LYS 116 16.231 -10.778 5.687 886 HE2 LYS 116 HE2 LYS 116 18.306 -9.953 4.486 887 HE3 LYS 116 HE3 LYS 116 18.614 -8.955 5.906 888 HZ1 LYS 116 HZ1 LYS 116 18.063 -11.625 6.671 889 HZ2 LYS 116 HZ2 LYS 116 19.445 -10.696 6.966 890 HZ3 LYS 116 HZ3 LYS 116 19.321 -11.597 5.540 891 H ALA 117 H ALA 117 13.096 -7.007 6.945 892 HA ALA 117 HA ALA 117 10.358 -7.412 7.369 893 HB1 ALA 117 HB1 ALA 117 10.932 -9.744 7.706 894 HB2 ALA 117 HB2 ALA 117 12.118 -9.297 8.933 895 HB3 ALA 117 HB3 ALA 117 10.401 -9.021 9.225 896 H HIS 118 H HIS 118 9.998 -7.257 9.998 897 HA HIS 118 HA HIS 118 10.125 -5.894 11.816 898 HB2 HIS 118 HB2 HIS 118 12.486 -6.822 11.853 899 HB3 HIS 118 3HB HIS 118 12.989 -5.348 11.030 900 HD1 HIS 118 HD1 HIS 118 10.908 -6.093 14.141 901 HD2 HIS 118 HD2 HIS 118 13.947 -3.585 12.823 902 HE1 HIS 118 HE1 HIS 118 11.493 -4.650 16.116 903 H SER 119 H SER 119 10.225 -3.632 12.455 904 HA SER 119 HA SER 119 10.959 -1.534 10.764 905 HB2 SER 119 HB2 SER 119 8.573 -2.819 9.919 906 HB3 SER 119 3HB SER 119 8.112 -1.258 10.597 907 HG SER 119 HG SER 119 9.132 -1.722 8.226 908 H GLY 120 H GLY 120 9.382 0.500 11.346 909 HA2 GLY 120 HA1 GLY 120 7.955 1.022 13.464 910 HA3 GLY 120 HA2 GLY 120 9.442 0.561 14.280 911 H ASN 121 H ASN 121 7.858 2.973 12.335 912 HA ASN 121 HA ASN 121 9.321 5.102 13.387 913 HB2 ASN 121 HB2 ASN 121 10.769 3.725 11.398 914 HB3 ASN 121 3HB ASN 121 10.198 5.211 10.644 915 HD21 ASN 121 HD21 ASN 121 12.327 5.972 10.525 916 HD22 ASN 121 HD22 ASN 121 13.145 6.585 11.918 917 H GLU 122 H GLU 122 9.268 6.959 11.365 918 HA GLU 122 HA GLU 122 6.394 7.075 10.762 919 HB2 GLU 122 HB2 GLU 122 6.696 9.508 10.607 920 HB3 GLU 122 HB3 GLU 122 7.205 8.889 12.172 921 HG2 GLU 122 HG2 GLU 122 9.533 8.993 11.470 922 HG3 GLU 122 HG3 GLU 122 9.036 9.588 9.887 923 H PHE 123 H PHE 123 8.957 6.012 9.248 924 HA PHE 123 HA PHE 123 9.355 7.421 6.915 925 HB2 PHE 123 HB2 PHE 123 9.821 5.144 5.878 926 HB3 PHE 123 3HB PHE 123 10.741 5.541 7.326 927 HD1 PHE 123 HD1 PHE 123 7.680 3.749 6.210 928 HD2 PHE 123 HD2 PHE 123 10.777 4.072 9.112 929 HE1 PHE 123 HE1 PHE 123 6.899 1.671 7.270 930 HE2 PHE 123 HE2 PHE 123 10.001 1.994 10.176 931 HZ PHE 123 HZ PHE 123 8.059 0.791 9.257 932 H ASN 124 H ASN 124 6.626 5.476 7.857 933 HA ASN 124 HA ASN 124 5.489 5.277 5.236 934 HB2 ASN 124 HB2 ASN 124 3.519 4.385 6.379 935 HB3 ASN 124 3HB ASN 124 4.985 3.630 6.998 936 HD21 ASN 124 HD21 ASN 124 5.491 3.830 9.106 937 HD22 ASN 124 HD22 ASN 124 4.533 4.690 10.259 938 H ASP 125 H ASP 125 5.034 7.388 8.028 939 HA ASP 125 HA ASP 125 2.772 8.775 7.241 940 HB2 ASP 125 HB2 ASP 125 5.173 9.530 8.873 941 HB3 ASP 125 3HB ASP 125 3.953 10.743 8.495 942 H TYR 126 H TYR 126 5.976 8.897 5.952 943 HA TYR 126 HA TYR 126 6.084 11.404 4.797 944 HB2 TYR 126 HB2 TYR 126 8.048 10.176 4.594 945 HB3 TYR 126 3HB TYR 126 7.211 8.739 4.018 946 HD1 TYR 126 HD1 TYR 126 6.422 8.630 1.666 947 HD2 TYR 126 HD2 TYR 126 8.819 11.849 3.079 948 HE1 TYR 126 HE1 TYR 126 6.959 9.242 -0.655 949 HE2 TYR 126 HE2 TYR 126 9.361 12.470 0.762 950 HH TYR 126 HH TYR 126 9.288 11.779 -1.394 951 H VAL 127 H VAL 127 4.394 8.521 3.700 952 HA VAL 127 HA VAL 127 3.723 9.317 1.116 953 HB VAL 127 HB VAL 127 1.900 7.729 1.212 954 HG11 VAL 127 HG11 VAL 127 4.243 6.703 2.811 955 HG12 VAL 127 HG12 VAL 127 3.119 5.737 1.853 956 HG13 VAL 127 HG13 VAL 127 4.207 6.874 1.057 957 HG21 VAL 127 HG21 VAL 127 0.690 7.478 3.056 958 HG22 VAL 127 HG22 VAL 127 2.068 6.719 3.852 959 HG23 VAL 127 HG23 VAL 127 1.836 8.464 3.964 960 H ASP 128 H ASP 128 2.620 10.498 4.140 961 HA ASP 128 HA ASP 128 0.063 11.432 3.441 962 HB2 ASP 128 HB2 ASP 128 2.036 12.553 5.443 963 HB3 ASP 128 3HB ASP 128 0.330 12.984 5.354 964 H MET 129 H MET 129 3.209 13.100 3.417 965 HA MET 129 HA MET 129 2.154 15.486 2.264 966 HB2 MET 129 HB2 MET 129 4.315 15.161 3.655 967 HB3 MET 129 HB3 MET 129 5.047 14.686 2.128 968 HG2 MET 129 HG2 MET 129 4.775 16.801 1.198 969 HG3 MET 129 HG3 MET 129 3.568 17.272 2.392 970 HE1 MET 129 HE1 MET 129 7.902 16.536 3.754 971 HE2 MET 129 HE2 MET 129 6.648 15.303 3.620 972 HE3 MET 129 HE3 MET 129 7.327 16.033 2.164 973 H LYS 130 H LYS 130 3.858 12.660 0.996 974 HA LYS 130 HA LYS 130 4.209 13.581 -1.634 975 HB2 LYS 130 HB2 LYS 130 4.819 11.269 -0.217 976 HB3 LYS 130 HB3 LYS 130 3.708 10.717 -1.464 977 HG2 LYS 130 HG2 LYS 130 6.226 12.296 -1.952 978 HG3 LYS 130 HG3 LYS 130 6.050 10.552 -2.160 979 HD2 LYS 130 HD2 LYS 130 5.596 11.117 -4.297 980 HD3 LYS 130 HD3 LYS 130 3.981 11.432 -3.657 981 HE2 LYS 130 HE2 LYS 130 4.177 13.530 -4.360 982 HE3 LYS 130 HE3 LYS 130 5.461 13.761 -3.174 983 HZ1 LYS 130 HZ1 LYS 130 5.769 14.054 -5.821 984 HZ2 LYS 130 HZ2 LYS 130 6.293 12.459 -5.616 985 HZ3 LYS 130 HZ3 LYS 130 7.032 13.710 -4.749 986 H ALA 131 H ALA 131 1.680 11.451 -0.298 987 HA ALA 131 HA ALA 131 0.145 11.148 -2.580 988 HB1 ALA 131 HB1 ALA 131 -0.580 11.166 0.331 989 HB2 ALA 131 HB2 ALA 131 -1.789 10.889 -0.923 990 HB3 ALA 131 HB3 ALA 131 -0.418 9.792 -0.763 991 H LYS 132 H LYS 132 0.282 13.832 -0.325 992 HA LYS 132 HA LYS 132 -2.026 15.208 -0.964 993 HB2 LYS 132 HB2 LYS 132 0.400 15.758 0.404 994 HB3 LYS 132 HB3 LYS 132 0.112 17.093 -0.704 995 HG2 LYS 132 HG2 LYS 132 -2.331 16.902 0.332 996 HG3 LYS 132 HG3 LYS 132 -1.410 16.244 1.686 997 HD2 LYS 132 HD2 LYS 132 0.065 18.285 1.519 998 HD3 LYS 132 HD3 LYS 132 -1.118 18.947 0.388 999 HE2 LYS 132 HE2 LYS 132 -1.845 19.844 2.378 1000 HE3 LYS 132 HE3 LYS 132 -2.819 18.377 2.285 1001 HZ1 LYS 132 HZ1 LYS 132 -1.235 19.111 4.371 1002 HZ2 LYS 132 HZ2 LYS 132 -0.299 17.948 3.575 1003 HZ3 LYS 132 HZ3 LYS 132 -1.860 17.562 4.102 1004 H SER 133 H SER 133 0.964 14.939 -2.765 1005 HA SER 133 HA SER 133 0.401 17.030 -4.616 1006 HB2 SER 133 HB2 SER 133 2.685 16.018 -4.098 1007 HB3 SER 133 3HB SER 133 2.209 14.666 -5.124 1008 HG SER 133 HG SER 133 3.393 16.367 -6.211 1009 H ALA 134 H ALA 134 -0.317 13.610 -4.467 1010 HA ALA 134 HA ALA 134 -1.228 13.450 -7.195 1011 HB1 ALA 134 HB1 ALA 134 -2.211 11.213 -6.156 1012 HB2 ALA 134 HB2 ALA 134 -0.505 11.386 -6.572 1013 HB3 ALA 134 HB3 ALA 134 -1.029 11.584 -4.900 1014 H LEU 135 H LEU 135 -2.735 13.629 -3.993 1015 HA LEU 135 HA LEU 135 -5.386 13.276 -4.688 1016 HB2 LEU 135 HB2 LEU 135 -4.862 13.377 -2.403 1017 HB3 LEU 135 3HB LEU 135 -4.069 14.942 -2.569 1018 HG LEU 135 HG LEU 135 -6.965 14.852 -3.175 1019 HD11 LEU 135 HD11 LEU 135 -6.599 13.400 -1.129 1020 HD12 LEU 135 HD12 LEU 135 -7.686 14.775 -0.938 1021 HD13 LEU 135 HD13 LEU 135 -6.037 14.862 -0.318 1022 HD21 LEU 135 HD21 LEU 135 -6.605 17.037 -3.071 1023 HD22 LEU 135 HD22 LEU 135 -4.940 16.768 -2.555 1024 HD23 LEU 135 HD23 LEU 135 -6.229 16.876 -1.355 1025 H GLY 136 H GLY 136 -3.674 16.398 -4.395 1026 HA2 GLY 136 HA1 GLY 136 -4.118 17.794 -6.516 1027 HA3 GLY 136 HA2 GLY 136 -5.797 17.617 -6.030 1028 H ILE 137 H ILE 137 -2.654 18.788 -4.869 1029 HA ILE 137 HA ILE 137 -4.103 20.884 -3.387 1030 HB ILE 137 HB ILE 137 -1.453 19.705 -2.556 1031 HG12 ILE 137 HG12 ILE 137 -3.284 18.039 -2.389 1032 HG13 ILE 137 HG13 ILE 137 -2.650 18.505 -0.815 1033 HG21 ILE 137 HG21 ILE 137 -2.446 20.837 -0.348 1034 HG22 ILE 137 HG22 ILE 137 -1.447 21.712 -1.507 1035 HG23 ILE 137 HG23 ILE 137 -3.203 21.870 -1.560 1036 HD11 ILE 137 HD11 ILE 137 -4.561 20.039 -0.544 1037 HD12 ILE 137 HD12 ILE 137 -5.210 19.453 -2.076 1038 HD13 ILE 137 HD13 ILE 137 -5.040 18.351 -0.710 1039 H ARG 138 H ARG 138 -3.129 22.942 -3.296 1040 HA ARG 138 HA ARG 138 -1.405 23.500 -5.580 1041 HB2 ARG 138 HB2 ARG 138 -3.522 24.879 -4.257 1042 HB3 ARG 138 HB3 ARG 138 -2.075 25.873 -4.160 1043 HG2 ARG 138 HG2 ARG 138 -2.247 24.873 -6.801 1044 HG3 ARG 138 HG3 ARG 138 -3.836 25.500 -6.354 1045 HD2 ARG 138 HD2 ARG 138 -2.860 27.625 -5.733 1046 HD3 ARG 138 HD3 ARG 138 -1.240 27.004 -6.046 1047 HE ARG 138 HE ARG 138 -3.078 28.029 -7.965 1048 HH11 ARG 138 HH11 ARG 138 -0.538 25.694 -7.501 1049 HH12 ARG 138 HH12 ARG 138 -0.076 25.671 -9.170 1050 HH21 ARG 138 HH21 ARG 138 -2.479 28.008 -10.166 1051 HH22 ARG 138 HH22 ARG 138 -1.180 26.988 -10.685 1052 H ASP 139 H ASP 139 0.305 25.203 -5.274 1053 HA ASP 139 HA ASP 139 1.464 25.784 -2.802 1054 HB2 ASP 139 HB2 ASP 139 1.892 23.104 -3.535 1055 HB3 ASP 139 3HB ASP 139 3.411 23.934 -3.864 1056 H LEU 140 H LEU 140 4.021 26.161 -3.206 1057 HA LEU 140 HA LEU 140 4.766 26.907 -5.847 1058 HB2 LEU 140 HB2 LEU 140 3.339 28.840 -4.224 1059 HB3 LEU 140 3HB LEU 140 4.939 29.419 -4.684 1060 HG LEU 140 HG LEU 140 2.768 28.516 -6.576 1061 HD11 LEU 140 HD11 LEU 140 3.636 31.212 -6.925 1062 HD12 LEU 140 HD12 LEU 140 3.154 30.970 -5.247 1063 HD13 LEU 140 HD13 LEU 140 2.024 30.602 -6.549 1064 HD21 LEU 140 HD21 LEU 140 5.628 29.268 -6.951 1065 HD22 LEU 140 HD22 LEU 140 4.453 29.717 -8.187 1066 HD23 LEU 140 HD23 LEU 140 4.674 28.021 -7.755 1067 H GLU 141 H GLU 141 6.618 25.744 -5.293 1068 HA GLU 141 HA GLU 141 8.702 27.276 -4.109 1069 HB2 GLU 141 HB2 GLU 141 7.229 25.449 -2.403 1070 HB3 GLU 141 HB3 GLU 141 8.927 25.002 -2.505 1071 HG2 GLU 141 HG2 GLU 141 9.147 27.660 -2.113 1072 HG3 GLU 141 HG3 GLU 141 7.653 27.326 -1.239 1073 H HIS 142 H HIS 142 10.771 25.968 -3.985 1074 HA HIS 142 HA HIS 142 10.800 23.635 -5.736 1075 HB2 HIS 142 HB2 HIS 142 12.717 24.666 -7.040 1076 HB3 HIS 142 3HB HIS 142 11.122 25.339 -7.362 1077 HD1 HIS 142 HD1 HIS 142 14.496 26.257 -6.281 1078 HD2 HIS 142 HD2 HIS 142 10.694 27.925 -6.122 1079 HE1 HIS 142 HE1 HIS 142 14.851 28.691 -5.755 1080 H HIS 143 H HIS 143 11.526 22.349 -4.082 1081 HA HIS 143 HA HIS 143 14.329 22.546 -3.457 1082 HB2 HIS 143 HB2 HIS 143 12.830 23.938 -1.740 1083 HB3 HIS 143 3HB HIS 143 12.631 22.343 -1.019 1084 HD1 HIS 143 HD1 HIS 143 14.012 22.911 1.059 1085 HD2 HIS 143 HD2 HIS 143 16.092 23.391 -2.505 1086 HE1 HIS 143 HE1 HIS 143 16.420 23.209 1.721 1087 H HIS 144 H HIS 144 15.091 20.653 -2.214 1088 HA HIS 144 HA HIS 144 13.438 18.431 -1.685 1089 HB2 HIS 144 HB2 HIS 144 14.358 16.964 -3.554 1090 HB3 HIS 144 3HB HIS 144 13.129 18.138 -4.014 1091 HD1 HIS 144 HD1 HIS 144 13.678 19.371 -6.075 1092 HD2 HIS 144 HD2 HIS 144 17.100 18.151 -4.060 1093 HE1 HIS 144 HE1 HIS 144 15.604 20.112 -7.512 1094 H HIS 145 H HIS 145 14.894 16.338 -1.607 1095 HA HIS 145 HA HIS 145 17.633 17.020 -0.829 1096 HB2 HIS 145 HB2 HIS 145 15.566 16.566 1.036 1097 HB3 HIS 145 3HB HIS 145 16.560 15.112 1.041 1098 HD1 HIS 145 HD1 HIS 145 18.642 15.211 2.397 1099 HD2 HIS 145 HD2 HIS 145 17.146 18.992 1.548 1100 HE1 HIS 145 HE1 HIS 145 20.080 16.810 3.700 1101 H HIS 146 H HIS 146 18.683 14.773 -0.038 1102 HA HIS 146 HA HIS 146 17.821 12.602 -1.795 1103 HB2 HIS 146 HB2 HIS 146 20.554 13.887 -1.857 1104 HB3 HIS 146 3HB HIS 146 20.221 12.296 -2.536 1105 HD1 HIS 146 HD1 HIS 146 19.074 12.201 -4.797 1106 HD2 HIS 146 HD2 HIS 146 19.344 16.052 -3.260 1107 HE1 HIS 146 HE1 HIS 146 18.405 13.726 -6.682 1108 H HIS 147 H HIS 147 18.158 10.609 -0.962 1109 HA HIS 147 HA HIS 147 20.137 10.055 1.022 1110 HB2 HIS 147 HB2 HIS 147 18.050 11.254 2.155 1111 HB3 HIS 147 3HB HIS 147 17.385 9.625 2.087 1112 HD1 HIS 147 HD1 HIS 147 20.629 11.236 3.275 1113 HD2 HIS 147 HD2 HIS 147 17.981 8.203 4.298 1114 HE1 HIS 147 HE1 HIS 147 21.508 10.273 5.426 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -9.342 4.625 -20.996 2 HA MET 1 HA MET 1 -8.541 3.702 -19.066 3 HB2 MET 1 HB2 MET 1 -8.950 1.752 -20.771 4 HB3 MET 1 HB3 MET 1 -7.198 1.609 -20.735 5 HG2 MET 1 HG2 MET 1 -7.207 1.157 -18.397 6 HG3 MET 1 HG3 MET 1 -8.923 1.540 -18.276 7 HE1 MET 1 HE1 MET 1 -10.815 -0.704 -18.460 8 HE2 MET 1 HE2 MET 1 -9.804 -1.909 -17.662 9 HE3 MET 1 HE3 MET 1 -9.707 -0.215 -17.178 10 H ASP 2 H ASP 2 -7.060 5.182 -18.315 11 HA ASP 2 HA ASP 2 -4.336 4.333 -18.244 12 HB2 ASP 2 HB2 ASP 2 -4.728 5.676 -20.480 13 HB3 ASP 2 3HB ASP 2 -4.627 7.072 -19.411 14 H ASP 3 H ASP 3 -2.968 6.005 -17.033 15 HA ASP 3 HA ASP 3 -4.582 7.643 -15.220 16 HB2 ASP 3 HB2 ASP 3 -3.536 6.742 -13.249 17 HB3 ASP 3 3HB ASP 3 -4.210 5.401 -14.170 18 H ARG 4 H ARG 4 -3.689 9.567 -14.794 19 HA ARG 4 HA ARG 4 -1.042 10.113 -15.891 20 HB2 ARG 4 HB2 ARG 4 -1.623 12.412 -15.830 21 HB3 ARG 4 HB3 ARG 4 -3.056 11.561 -16.391 22 HG2 ARG 4 HG2 ARG 4 -3.939 11.649 -14.067 23 HG3 ARG 4 HG3 ARG 4 -2.557 12.658 -13.636 24 HD2 ARG 4 HD2 ARG 4 -4.054 13.538 -16.006 25 HD3 ARG 4 HD3 ARG 4 -4.953 13.604 -14.491 26 HE ARG 4 HE ARG 4 -2.337 14.771 -14.315 27 HH11 ARG 4 HH11 ARG 4 -5.657 15.334 -15.197 28 HH12 ARG 4 HH12 ARG 4 -5.567 17.046 -14.955 29 HH21 ARG 4 HH21 ARG 4 -2.205 17.025 -13.993 30 HH22 ARG 4 HH22 ARG 4 -3.604 18.008 -14.272 31 H THR 5 H THR 5 -1.754 8.745 -13.221 32 HA THR 5 HA THR 5 -0.552 10.555 -11.293 33 HB THR 5 HB THR 5 -0.769 8.358 -9.842 34 HG1 THR 5 HG1 THR 5 -2.037 6.848 -10.679 35 HG21 THR 5 HG21 THR 5 -2.806 9.158 -9.036 36 HG22 THR 5 HG22 THR 5 -3.343 9.679 -10.632 37 HG23 THR 5 HG23 THR 5 -2.088 10.583 -9.786 38 H GLU 6 H GLU 6 1.497 10.476 -10.570 39 HA GLU 6 HA GLU 6 3.154 8.147 -11.178 40 HB2 GLU 6 HB2 GLU 6 3.252 10.424 -12.765 41 HB3 GLU 6 HB3 GLU 6 4.605 10.625 -11.661 42 HG2 GLU 6 HG2 GLU 6 5.248 8.237 -12.299 43 HG3 GLU 6 HG3 GLU 6 4.111 8.425 -13.632 44 H TYR 7 H TYR 7 1.967 9.609 -8.797 45 HA TYR 7 HA TYR 7 4.486 10.019 -7.322 46 HB2 TYR 7 HB2 TYR 7 1.817 11.170 -6.524 47 HB3 TYR 7 3HB TYR 7 3.414 11.619 -5.934 48 HD1 TYR 7 HD1 TYR 7 4.983 12.833 -7.483 49 HD2 TYR 7 HD2 TYR 7 0.881 12.213 -8.426 50 HE1 TYR 7 HE1 TYR 7 5.106 14.622 -9.165 51 HE2 TYR 7 HE2 TYR 7 0.993 14.000 -10.112 52 HH TYR 7 HH TYR 7 4.038 15.683 -10.806 53 H ASP 8 H ASP 8 4.329 9.507 -4.973 54 HA ASP 8 HA ASP 8 3.705 6.865 -4.517 55 HB2 ASP 8 HB2 ASP 8 5.032 8.633 -3.084 56 HB3 ASP 8 3HB ASP 8 3.490 8.801 -2.247 57 H VAL 9 H VAL 9 2.047 5.820 -3.305 58 HA VAL 9 HA VAL 9 -0.577 6.990 -3.785 59 HB VAL 9 HB VAL 9 0.278 4.223 -2.944 60 HG11 VAL 9 HG11 VAL 9 -1.792 4.647 -1.823 61 HG12 VAL 9 HG12 VAL 9 -2.498 5.348 -3.281 62 HG13 VAL 9 HG13 VAL 9 -2.129 3.623 -3.219 63 HG21 VAL 9 HG21 VAL 9 -1.160 5.114 -5.434 64 HG22 VAL 9 HG22 VAL 9 0.594 4.958 -5.328 65 HG23 VAL 9 HG23 VAL 9 -0.432 3.541 -5.109 66 H TYR 10 H TYR 10 -2.097 7.403 -2.214 67 HA TYR 10 HA TYR 10 -1.106 8.106 0.363 68 HB2 TYR 10 HB2 TYR 10 -2.861 9.429 -0.648 69 HB3 TYR 10 3HB TYR 10 -3.920 8.027 -0.742 70 HD1 TYR 10 HD1 TYR 10 -1.848 9.528 1.989 71 HD2 TYR 10 HD2 TYR 10 -5.694 8.230 0.710 72 HE1 TYR 10 HE1 TYR 10 -2.765 10.079 4.205 73 HE2 TYR 10 HE2 TYR 10 -6.620 8.778 2.922 74 HH TYR 10 HH TYR 10 -5.920 10.462 4.846 75 H THR 11 H THR 11 -0.304 5.988 1.005 76 HA THR 11 HA THR 11 -2.445 4.269 2.081 77 HB THR 11 HB THR 11 -0.639 2.445 2.038 78 HG1 THR 11 HG1 THR 11 1.233 3.138 1.344 79 HG21 THR 11 HG21 THR 11 -1.179 3.060 -0.778 80 HG22 THR 11 HG22 THR 11 -2.600 3.126 0.264 81 HG23 THR 11 HG23 THR 11 -1.634 1.653 0.183 82 H ASP 12 H ASP 12 -1.364 2.779 3.884 83 HA ASP 12 HA ASP 12 -0.537 2.649 6.000 84 HB2 ASP 12 HB2 ASP 12 1.270 4.988 5.547 85 HB3 ASP 12 3HB ASP 12 1.581 3.485 6.413 86 H GLY 13 H GLY 13 -2.828 3.664 6.217 87 HA2 GLY 13 HA1 GLY 13 -3.086 6.378 6.962 88 HA3 GLY 13 HA2 GLY 13 -4.226 5.096 7.342 89 H SER 14 H SER 14 -4.461 4.562 9.411 90 HA SER 14 HA SER 14 -2.348 4.456 11.288 91 HB2 SER 14 HB2 SER 14 -2.514 6.408 12.478 92 HB3 SER 14 3HB SER 14 -2.984 7.026 10.894 93 HG SER 14 HG SER 14 -4.954 7.323 11.594 94 H TYR 15 H TYR 15 -2.966 3.475 13.201 95 HA TYR 15 HA TYR 15 -5.156 1.798 13.181 96 HB2 TYR 15 HB2 TYR 15 -4.753 1.485 15.598 97 HB3 TYR 15 3HB TYR 15 -3.259 1.447 14.669 98 HD1 TYR 15 HD1 TYR 15 -1.680 3.340 14.782 99 HD2 TYR 15 HD2 TYR 15 -5.168 3.204 17.216 100 HE1 TYR 15 HE1 TYR 15 -0.731 5.089 16.229 101 HE2 TYR 15 HE2 TYR 15 -4.229 4.953 18.669 102 HH TYR 15 HH TYR 15 -2.148 6.967 18.015 103 H VAL 16 H VAL 16 -6.941 1.776 14.865 104 HA VAL 16 HA VAL 16 -8.005 4.446 15.427 105 HB VAL 16 HB VAL 16 -9.062 3.889 13.342 106 HG11 VAL 16 HG11 VAL 16 -10.150 1.363 14.553 107 HG12 VAL 16 HG12 VAL 16 -10.151 1.863 12.860 108 HG13 VAL 16 HG13 VAL 16 -8.641 1.392 13.641 109 HG21 VAL 16 HG21 VAL 16 -10.405 4.839 15.301 110 HG22 VAL 16 HG22 VAL 16 -11.310 4.170 13.944 111 HG23 VAL 16 HG23 VAL 16 -11.122 3.232 15.426 112 H ASN 17 H ASN 17 -8.233 4.444 17.565 113 HA ASN 17 HA ASN 17 -9.007 3.905 19.640 114 HB2 ASN 17 HB2 ASN 17 -11.057 3.181 18.253 115 HB3 ASN 17 3HB ASN 17 -10.458 1.540 18.470 116 HD21 ASN 17 HD21 ASN 17 -12.716 3.453 19.552 117 HD22 ASN 17 HD22 ASN 17 -12.782 3.015 21.222 118 H GLY 18 H GLY 18 -8.775 0.700 18.088 119 HA2 GLY 18 HA1 GLY 18 -6.442 0.100 19.756 120 HA3 GLY 18 HA2 GLY 18 -7.861 -0.923 19.929 121 H GLN 19 H GLN 19 -8.610 -0.893 17.160 122 HA GLN 19 HA GLN 19 -6.778 -2.920 16.219 123 HB2 GLN 19 HB2 GLN 19 -9.477 -2.607 16.002 124 HB3 GLN 19 HB3 GLN 19 -8.942 -2.041 14.425 125 HG2 GLN 19 HG2 GLN 19 -7.500 -4.319 14.667 126 HG3 GLN 19 HG3 GLN 19 -8.961 -4.745 15.559 127 HE21 GLN 19 HE21 GLN 19 -7.631 -3.879 12.471 128 HE22 GLN 19 HE22 GLN 19 -9.007 -4.320 11.525 129 H TYR 20 H TYR 20 -6.567 -2.811 13.626 130 HA TYR 20 HA TYR 20 -5.307 -0.208 13.063 131 HB2 TYR 20 HB2 TYR 20 -3.709 -1.369 11.665 132 HB3 TYR 20 3HB TYR 20 -3.734 -2.125 13.255 133 HD1 TYR 20 HD1 TYR 20 -4.714 -4.353 13.556 134 HD2 TYR 20 HD2 TYR 20 -4.465 -2.554 9.708 135 HE1 TYR 20 HE1 TYR 20 -5.134 -6.540 12.512 136 HE2 TYR 20 HE2 TYR 20 -4.885 -4.737 8.654 137 HH TYR 20 HH TYR 20 -5.183 -6.913 8.981 138 H ALA 21 H ALA 21 -5.116 0.250 10.665 139 HA ALA 21 HA ALA 21 -7.285 -0.844 9.057 140 HB1 ALA 21 HB1 ALA 21 -8.262 1.056 10.321 141 HB2 ALA 21 HB2 ALA 21 -7.085 2.122 9.552 142 HB3 ALA 21 HB3 ALA 21 -8.287 1.283 8.572 143 H TRP 22 H TRP 22 -7.193 -0.073 6.794 144 HA TRP 22 HA TRP 22 -4.597 1.007 5.986 145 HB2 TRP 22 HB2 TRP 22 -4.578 -0.816 4.154 146 HB3 TRP 22 3HB TRP 22 -4.074 -1.267 5.780 147 HD1 TRP 22 HD1 TRP 22 -5.619 -2.959 7.123 148 HE1 TRP 22 HE1 TRP 22 -7.537 -4.513 6.397 149 HE3 TRP 22 HE3 TRP 22 -6.567 -0.975 2.508 150 HZ2 TRP 22 HZ2 TRP 22 -9.229 -4.853 4.163 151 HZ3 TRP 22 HZ3 TRP 22 -8.352 -1.973 1.139 152 HH2 TRP 22 HH2 TRP 22 -9.653 -3.872 1.950 153 H ALA 23 H ALA 23 -4.764 2.429 4.366 154 HA ALA 23 HA ALA 23 -7.200 2.383 2.711 155 HB1 ALA 23 HB1 ALA 23 -7.637 4.610 3.019 156 HB2 ALA 23 HB2 ALA 23 -6.985 4.195 4.605 157 HB3 ALA 23 HB3 ALA 23 -5.962 4.998 3.413 158 H TYR 24 H TYR 24 -6.926 3.808 0.722 159 HA TYR 24 HA TYR 24 -4.247 4.216 -0.237 160 HB2 TYR 24 HB2 TYR 24 -4.793 2.675 -2.283 161 HB3 TYR 24 3HB TYR 24 -4.134 1.975 -0.809 162 HD1 TYR 24 HD1 TYR 24 -7.595 3.000 -1.785 163 HD2 TYR 24 HD2 TYR 24 -5.017 -0.139 -0.517 164 HE1 TYR 24 HE1 TYR 24 -9.522 1.478 -1.654 165 HE2 TYR 24 HE2 TYR 24 -6.938 -1.669 -0.384 166 HH TYR 24 HH TYR 24 -9.509 -1.519 -1.766 167 H ALA 25 H ALA 25 -4.309 4.896 -2.613 168 HA ALA 25 HA ALA 25 -6.755 6.476 -3.070 169 HB1 ALA 25 HB1 ALA 25 -5.224 7.991 -4.395 170 HB2 ALA 25 HB2 ALA 25 -4.984 7.980 -2.647 171 HB3 ALA 25 HB3 ALA 25 -3.878 7.091 -3.694 172 H PHE 26 H PHE 26 -7.906 6.013 -4.821 173 HA PHE 26 HA PHE 26 -6.628 4.435 -6.954 174 HB2 PHE 26 HB2 PHE 26 -9.386 4.410 -5.792 175 HB3 PHE 26 3HB PHE 26 -9.161 3.933 -7.471 176 HD1 PHE 26 HD1 PHE 26 -7.099 3.326 -4.429 177 HD2 PHE 26 HD2 PHE 26 -9.392 1.649 -7.598 178 HE1 PHE 26 HE1 PHE 26 -6.454 1.067 -3.696 179 HE2 PHE 26 HE2 PHE 26 -8.752 -0.613 -6.869 180 HZ PHE 26 HZ PHE 26 -7.280 -0.905 -4.917 181 H VAL 27 H VAL 27 -6.749 5.101 -9.042 182 HA VAL 27 HA VAL 27 -8.440 7.383 -9.725 183 HB VAL 27 HB VAL 27 -5.442 7.382 -9.859 184 HG11 VAL 27 HG11 VAL 27 -5.698 8.015 -12.026 185 HG12 VAL 27 HG12 VAL 27 -7.350 8.587 -11.781 186 HG13 VAL 27 HG13 VAL 27 -5.985 9.579 -11.263 187 HG21 VAL 27 HG21 VAL 27 -7.320 9.621 -9.155 188 HG22 VAL 27 HG22 VAL 27 -6.783 8.430 -7.970 189 HG23 VAL 27 HG23 VAL 27 -5.605 9.467 -8.773 190 H LYS 28 H LYS 28 -9.332 7.151 -11.675 191 HA LYS 28 HA LYS 28 -8.049 5.327 -13.599 192 HB2 LYS 28 HB2 LYS 28 -10.918 5.439 -12.713 193 HB3 LYS 28 HB3 LYS 28 -10.490 4.806 -14.296 194 HG2 LYS 28 HG2 LYS 28 -8.847 3.636 -12.235 195 HG3 LYS 28 HG3 LYS 28 -10.565 3.414 -11.892 196 HD2 LYS 28 HD2 LYS 28 -9.380 2.820 -14.591 197 HD3 LYS 28 HD3 LYS 28 -9.415 1.621 -13.296 198 HE2 LYS 28 HE2 LYS 28 -11.555 1.163 -13.693 199 HE3 LYS 28 HE3 LYS 28 -11.992 2.867 -13.589 200 HZ1 LYS 28 HZ1 LYS 28 -11.911 1.263 -15.860 201 HZ2 LYS 28 HZ2 LYS 28 -10.667 2.396 -16.025 202 HZ3 LYS 28 HZ3 LYS 28 -12.256 2.917 -15.773 203 H ASP 29 H ASP 29 -7.984 5.995 -15.683 204 HA ASP 29 HA ASP 29 -8.186 7.331 -17.516 205 HB2 ASP 29 HB2 ASP 29 -10.530 8.732 -16.264 206 HB3 ASP 29 3HB ASP 29 -10.225 8.390 -17.965 207 H GLY 30 H GLY 30 -7.080 8.224 -14.719 208 HA2 GLY 30 HA1 GLY 30 -5.553 9.966 -14.339 209 HA3 GLY 30 HA2 GLY 30 -6.265 10.853 -15.678 210 H LYS 31 H LYS 31 -8.384 9.492 -13.322 211 HA LYS 31 HA LYS 31 -8.510 11.936 -11.755 212 HB2 LYS 31 HB2 LYS 31 -10.999 12.097 -12.134 213 HB3 LYS 31 HB3 LYS 31 -9.998 12.562 -13.503 214 HG2 LYS 31 HG2 LYS 31 -10.339 10.170 -14.334 215 HG3 LYS 31 HG3 LYS 31 -11.634 10.078 -13.138 216 HD2 LYS 31 HD2 LYS 31 -12.794 10.771 -15.002 217 HD3 LYS 31 HD3 LYS 31 -12.411 12.319 -14.245 218 HE2 LYS 31 HE2 LYS 31 -11.236 12.961 -16.020 219 HE3 LYS 31 HE3 LYS 31 -10.266 11.489 -15.972 220 HZ1 LYS 31 HZ1 LYS 31 -12.247 10.402 -17.100 221 HZ2 LYS 31 HZ2 LYS 31 -11.312 11.453 -18.040 222 HZ3 LYS 31 HZ3 LYS 31 -12.800 11.969 -17.418 223 H VAL 32 H VAL 32 -9.861 11.727 -9.852 224 HA VAL 32 HA VAL 32 -9.508 9.348 -8.471 225 HB VAL 32 HB VAL 32 -11.609 11.456 -7.950 226 HG11 VAL 32 HG11 VAL 32 -10.703 9.062 -6.452 227 HG12 VAL 32 HG12 VAL 32 -11.041 10.526 -5.526 228 HG13 VAL 32 HG13 VAL 32 -12.297 9.810 -6.537 229 HG21 VAL 32 HG21 VAL 32 -9.488 12.518 -7.980 230 HG22 VAL 32 HG22 VAL 32 -9.902 12.270 -6.284 231 HG23 VAL 32 HG23 VAL 32 -8.741 11.203 -7.072 232 H HIS 33 H HIS 33 -10.467 7.435 -8.591 233 HA HIS 33 HA HIS 33 -13.093 7.257 -9.904 234 HB2 HIS 33 HB2 HIS 33 -11.016 6.002 -10.801 235 HB3 HIS 33 3HB HIS 33 -11.255 4.924 -9.428 236 HD1 HIS 33 HD1 HIS 33 -13.768 6.395 -11.884 237 HD2 HIS 33 HD2 HIS 33 -12.449 2.726 -10.447 238 HE1 HIS 33 HE1 HIS 33 -15.243 4.675 -12.976 239 H TYR 34 H TYR 34 -11.224 6.008 -7.161 240 HA TYR 34 HA TYR 34 -13.769 5.507 -5.771 241 HB2 TYR 34 HB2 TYR 34 -11.318 3.734 -5.715 242 HB3 TYR 34 3HB TYR 34 -12.753 3.512 -4.718 243 HD1 TYR 34 HD1 TYR 34 -14.874 4.093 -6.734 244 HD2 TYR 34 HD2 TYR 34 -11.303 1.800 -7.039 245 HE1 TYR 34 HE1 TYR 34 -15.903 2.738 -8.509 246 HE2 TYR 34 HE2 TYR 34 -12.320 0.439 -8.816 247 HH TYR 34 HH TYR 34 -14.237 0.843 -10.573 248 H GLU 35 H GLU 35 -13.256 5.103 -3.326 249 HA GLU 35 HA GLU 35 -11.005 6.258 -2.126 250 HB2 GLU 35 HB2 GLU 35 -11.699 8.372 -3.005 251 HB3 GLU 35 HB3 GLU 35 -13.360 8.108 -2.492 252 HG2 GLU 35 HG2 GLU 35 -11.419 8.013 -0.313 253 HG3 GLU 35 HG3 GLU 35 -11.500 9.567 -1.140 254 H ASP 36 H ASP 36 -11.056 4.850 -0.487 255 HA ASP 36 HA ASP 36 -12.789 5.172 1.683 256 HB2 ASP 36 HB2 ASP 36 -13.943 3.630 -0.382 257 HB3 ASP 36 3HB ASP 36 -13.487 2.497 0.888 258 H ALA 37 H ALA 37 -12.398 3.605 3.405 259 HA ALA 37 HA ALA 37 -9.930 2.046 3.001 260 HB1 ALA 37 HB1 ALA 37 -10.600 3.858 5.313 261 HB2 ALA 37 HB2 ALA 37 -9.275 2.693 5.324 262 HB3 ALA 37 HB3 ALA 37 -9.271 4.023 4.165 263 H ASP 38 H ASP 38 -9.588 0.579 5.033 264 HA ASP 38 HA ASP 38 -12.042 -0.400 6.214 265 HB2 ASP 38 HB2 ASP 38 -10.403 -2.198 4.413 266 HB3 ASP 38 3HB ASP 38 -11.805 -2.681 5.365 267 H VAL 39 H VAL 39 -11.541 -2.381 7.620 268 HA VAL 39 HA VAL 39 -8.846 -2.098 8.782 269 HB VAL 39 HB VAL 39 -9.936 -2.686 10.990 270 HG11 VAL 39 HG11 VAL 39 -11.166 -0.191 10.743 271 HG12 VAL 39 HG12 VAL 39 -9.516 -0.521 11.276 272 HG13 VAL 39 HG13 VAL 39 -9.843 -0.178 9.577 273 HG21 VAL 39 HG21 VAL 39 -12.436 -1.963 9.464 274 HG22 VAL 39 HG22 VAL 39 -12.041 -3.548 10.131 275 HG23 VAL 39 HG23 VAL 39 -12.331 -2.184 11.210 276 H GLY 40 H GLY 40 -8.044 -3.985 9.924 277 HA2 GLY 40 HA1 GLY 40 -8.857 -6.438 8.564 278 HA3 GLY 40 HA2 GLY 40 -7.384 -6.204 9.493 279 H LYS 41 H LYS 41 -7.799 -8.206 10.551 280 HA LYS 41 HA LYS 41 -9.013 -7.962 13.056 281 HB2 LYS 41 HB2 LYS 41 -10.840 -9.751 12.600 282 HB3 LYS 41 HB3 LYS 41 -11.169 -8.070 12.197 283 HG2 LYS 41 HG2 LYS 41 -11.947 -9.461 10.414 284 HG3 LYS 41 HG3 LYS 41 -10.539 -8.557 9.852 285 HD2 LYS 41 HD2 LYS 41 -9.126 -10.482 10.124 286 HD3 LYS 41 HD3 LYS 41 -10.434 -11.389 10.886 287 HE2 LYS 41 HE2 LYS 41 -11.625 -11.575 8.873 288 HE3 LYS 41 HE3 LYS 41 -10.691 -10.292 8.103 289 HZ1 LYS 41 HZ1 LYS 41 -9.412 -11.874 7.263 290 HZ2 LYS 41 HZ2 LYS 41 -10.177 -13.078 8.173 291 HZ3 LYS 41 HZ3 LYS 41 -8.865 -12.229 8.824 292 H ASN 42 H ASN 42 -6.614 -8.960 11.815 293 HA ASN 42 HA ASN 42 -6.739 -11.827 12.450 294 HB2 ASN 42 HB2 ASN 42 -4.694 -10.226 10.900 295 HB3 ASN 42 3HB ASN 42 -4.520 -11.935 11.290 296 HD21 ASN 42 HD21 ASN 42 -4.986 -10.202 8.777 297 HD22 ASN 42 HD22 ASN 42 -6.208 -11.079 7.926 298 HA PRO 43 HA PRO 43 -4.422 -11.343 16.147 299 HB2 PRO 43 HB2 PRO 43 -2.975 -13.640 16.166 300 HB3 PRO 43 HB3 PRO 43 -4.714 -13.597 16.484 301 HG2 PRO 43 HG2 PRO 43 -3.266 -14.294 13.958 302 HG3 PRO 43 HG3 PRO 43 -4.664 -15.091 14.702 303 HD2 PRO 43 HD2 PRO 43 -4.903 -13.376 12.621 304 HD3 PRO 43 HD3 PRO 43 -6.151 -13.537 13.874 305 H ALA 44 H ALA 44 -2.413 -12.615 13.484 306 HA ALA 44 HA ALA 44 0.030 -11.633 14.520 307 HB1 ALA 44 HB1 ALA 44 -0.342 -13.470 12.778 308 HB2 ALA 44 HB2 ALA 44 -0.462 -12.156 11.607 309 HB3 ALA 44 HB3 ALA 44 1.021 -12.376 12.537 310 H ALA 45 H ALA 45 -2.549 -10.110 12.877 311 HA ALA 45 HA ALA 45 -0.913 -7.910 11.895 312 HB1 ALA 45 HB1 ALA 45 -3.912 -8.057 11.806 313 HB2 ALA 45 HB2 ALA 45 -2.823 -7.141 10.764 314 HB3 ALA 45 HB3 ALA 45 -2.894 -8.899 10.639 315 H ALA 46 H ALA 46 -3.265 -8.597 14.421 316 HA ALA 46 HA ALA 46 -3.590 -5.923 15.309 317 HB1 ALA 46 HB1 ALA 46 -4.747 -8.372 15.899 318 HB2 ALA 46 HB2 ALA 46 -3.952 -7.894 17.399 319 HB3 ALA 46 HB3 ALA 46 -5.129 -6.819 16.643 320 H THR 47 H THR 47 -1.447 -8.563 16.291 321 HA THR 47 HA THR 47 -0.310 -7.352 18.539 322 HB THR 47 HB THR 47 0.105 -9.670 18.199 323 HG1 THR 47 HG1 THR 47 1.970 -9.261 19.104 324 HG21 THR 47 HG21 THR 47 0.243 -10.437 16.106 325 HG22 THR 47 HG22 THR 47 1.919 -9.890 16.095 326 HG23 THR 47 HG23 THR 47 0.645 -8.839 15.481 327 H MET 48 H MET 48 0.087 -6.671 15.198 328 HA MET 48 HA MET 48 2.650 -5.365 15.495 329 HB2 MET 48 HB2 MET 48 0.709 -5.452 13.179 330 HB3 MET 48 HB3 MET 48 2.302 -4.710 13.120 331 HG2 MET 48 HG2 MET 48 1.761 -7.619 13.673 332 HG3 MET 48 HG3 MET 48 2.259 -6.948 12.121 333 HE1 MET 48 HE1 MET 48 4.860 -9.209 13.787 334 HE2 MET 48 HE2 MET 48 4.302 -8.645 15.362 335 HE3 MET 48 HE3 MET 48 3.133 -9.123 14.132 336 H ARG 49 H ARG 49 -0.329 -4.558 16.495 337 HA ARG 49 HA ARG 49 -1.332 -2.622 17.146 338 HB2 ARG 49 HB2 ARG 49 1.464 -1.588 16.672 339 HB3 ARG 49 HB3 ARG 49 0.168 -0.580 17.305 340 HG2 ARG 49 HG2 ARG 49 0.017 -2.681 18.990 341 HG3 ARG 49 HG3 ARG 49 1.741 -2.687 18.616 342 HD2 ARG 49 HD2 ARG 49 0.925 0.001 19.066 343 HD3 ARG 49 HD3 ARG 49 0.320 -0.991 20.392 344 HE ARG 49 HE ARG 49 2.916 -1.765 20.108 345 HH11 ARG 49 HH11 ARG 49 1.310 1.284 20.603 346 HH12 ARG 49 HH12 ARG 49 2.630 1.986 21.479 347 HH21 ARG 49 HH21 ARG 49 4.661 -0.852 21.260 348 HH22 ARG 49 HH22 ARG 49 4.536 0.770 21.851 349 H ASN 50 H ASN 50 0.852 -0.944 14.957 350 HA ASN 50 HA ASN 50 -1.344 -0.600 13.035 351 HB2 ASN 50 HB2 ASN 50 -1.146 1.729 12.970 352 HB3 ASN 50 3HB ASN 50 -1.015 1.369 14.689 353 HD21 ASN 50 HD21 ASN 50 0.954 1.612 15.722 354 HD22 ASN 50 HD22 ASN 50 2.270 2.478 15.012 355 H VAL 51 H VAL 51 1.643 -1.728 13.491 356 HA VAL 51 HA VAL 51 3.068 -0.622 11.277 357 HB VAL 51 HB VAL 51 3.553 -3.208 12.764 358 HG11 VAL 51 HG11 VAL 51 4.933 -3.577 11.028 359 HG12 VAL 51 HG12 VAL 51 4.916 -1.887 10.522 360 HG13 VAL 51 HG13 VAL 51 5.970 -2.403 11.838 361 HG21 VAL 51 HG21 VAL 51 4.515 -0.397 13.203 362 HG22 VAL 51 HG22 VAL 51 3.728 -1.481 14.350 363 HG23 VAL 51 HG23 VAL 51 5.384 -1.795 13.834 364 H ALA 52 H ALA 52 1.113 -3.520 11.785 365 HA ALA 52 HA ALA 52 1.649 -4.671 9.238 366 HB1 ALA 52 HB1 ALA 52 -0.498 -5.985 9.807 367 HB2 ALA 52 HB2 ALA 52 0.928 -6.206 10.823 368 HB3 ALA 52 HB3 ALA 52 -0.392 -5.172 11.369 369 H GLY 53 H GLY 53 -1.072 -2.778 10.533 370 HA2 GLY 53 HA1 GLY 53 -2.696 -2.813 8.265 371 HA3 GLY 53 HA2 GLY 53 -2.688 -1.538 9.476 372 H GLU 54 H GLU 54 0.272 -1.151 8.804 373 HA GLU 54 HA GLU 54 -0.127 0.967 6.945 374 HB2 GLU 54 HB2 GLU 54 1.584 1.459 8.404 375 HB3 GLU 54 HB3 GLU 54 2.204 -0.185 8.402 376 HG2 GLU 54 HG2 GLU 54 3.185 0.135 6.228 377 HG3 GLU 54 HG3 GLU 54 2.466 1.741 6.106 378 H ILE 55 H ILE 55 1.775 -2.043 6.738 379 HA ILE 55 HA ILE 55 2.243 -1.732 3.931 380 HB ILE 55 HB ILE 55 2.657 -4.101 5.756 381 HG12 ILE 55 HG12 ILE 55 5.007 -2.857 4.585 382 HG13 ILE 55 HG13 ILE 55 4.061 -1.701 5.516 383 HG21 ILE 55 HG21 ILE 55 2.345 -4.917 3.516 384 HG22 ILE 55 HG22 ILE 55 3.460 -3.710 2.879 385 HG23 ILE 55 HG23 ILE 55 4.059 -5.001 3.919 386 HD11 ILE 55 HD11 ILE 55 5.447 -2.513 7.130 387 HD12 ILE 55 HD12 ILE 55 4.085 -3.620 7.305 388 HD13 ILE 55 HD13 ILE 55 5.523 -4.123 6.415 389 H ALA 56 H ALA 56 -0.128 -3.370 5.901 390 HA ALA 56 HA ALA 56 -1.180 -5.258 4.225 391 HB1 ALA 56 HB1 ALA 56 -2.716 -3.375 6.011 392 HB2 ALA 56 HB2 ALA 56 -3.336 -4.885 5.339 393 HB3 ALA 56 HB3 ALA 56 -1.994 -4.913 6.484 394 H ALA 57 H ALA 57 -1.525 -1.775 4.020 395 HA ALA 57 HA ALA 57 -3.638 -1.654 2.176 396 HB1 ALA 57 HB1 ALA 57 -1.346 0.261 2.590 397 HB2 ALA 57 HB2 ALA 57 -2.808 0.609 1.668 398 HB3 ALA 57 HB3 ALA 57 -2.911 0.302 3.402 399 H ALA 58 H ALA 58 -0.120 -1.690 1.658 400 HA ALA 58 HA ALA 58 -0.058 -1.430 -1.091 401 HB1 ALA 58 HB1 ALA 58 2.079 -1.436 -0.428 402 HB2 ALA 58 HB2 ALA 58 1.742 -2.469 0.962 403 HB3 ALA 58 HB3 ALA 58 1.987 -3.185 -0.631 404 H LEU 59 H LEU 59 -0.953 -4.187 0.840 405 HA LEU 59 HA LEU 59 -0.696 -6.204 -1.099 406 HB2 LEU 59 HB2 LEU 59 -2.764 -6.086 1.085 407 HB3 LEU 59 3HB LEU 59 -2.130 -7.525 0.290 408 HG LEU 59 HG LEU 59 -0.844 -5.793 2.367 409 HD11 LEU 59 HD11 LEU 59 -2.033 -7.638 3.248 410 HD12 LEU 59 HD12 LEU 59 -0.326 -8.079 3.291 411 HD13 LEU 59 HD13 LEU 59 -1.374 -8.735 2.033 412 HD21 LEU 59 HD21 LEU 59 0.557 -7.664 0.463 413 HD22 LEU 59 HD22 LEU 59 1.267 -7.018 1.943 414 HD23 LEU 59 HD23 LEU 59 0.819 -5.928 0.630 415 H TYR 60 H TYR 60 -3.748 -4.733 0.020 416 HA TYR 60 HA TYR 60 -5.241 -5.648 -2.194 417 HB2 TYR 60 HB2 TYR 60 -5.859 -3.341 -0.338 418 HB3 TYR 60 3HB TYR 60 -7.011 -4.173 -1.376 419 HD1 TYR 60 HD1 TYR 60 -4.928 -4.478 1.645 420 HD2 TYR 60 HD2 TYR 60 -7.943 -6.290 -0.747 421 HE1 TYR 60 HE1 TYR 60 -5.396 -6.075 3.456 422 HE2 TYR 60 HE2 TYR 60 -8.421 -7.892 1.057 423 HH TYR 60 HH TYR 60 -6.464 -7.991 3.991 424 H ALA 61 H ALA 61 -3.290 -2.828 -1.665 425 HA ALA 61 HA ALA 61 -4.353 -1.149 -3.659 426 HB1 ALA 61 HB1 ALA 61 -2.853 -0.337 -1.914 427 HB2 ALA 61 HB2 ALA 61 -1.529 -1.275 -2.608 428 HB3 ALA 61 HB3 ALA 61 -2.236 0.059 -3.518 429 H VAL 62 H VAL 62 -1.786 -3.590 -3.750 430 HA VAL 62 HA VAL 62 -1.159 -3.120 -6.508 431 HB VAL 62 HB VAL 62 -0.432 -5.417 -4.687 432 HG11 VAL 62 HG11 VAL 62 0.435 -4.763 -7.493 433 HG12 VAL 62 HG12 VAL 62 1.347 -5.835 -6.427 434 HG13 VAL 62 HG13 VAL 62 -0.301 -6.251 -6.900 435 HG21 VAL 62 HG21 VAL 62 0.411 -3.001 -4.268 436 HG22 VAL 62 HG22 VAL 62 1.569 -4.331 -4.250 437 HG23 VAL 62 HG23 VAL 62 1.436 -3.297 -5.672 438 H LYS 63 H LYS 63 -2.904 -5.660 -4.737 439 HA LYS 63 HA LYS 63 -3.527 -7.352 -6.822 440 HB2 LYS 63 HB2 LYS 63 -5.247 -6.611 -4.448 441 HB3 LYS 63 HB3 LYS 63 -5.522 -8.001 -5.491 442 HG2 LYS 63 HG2 LYS 63 -3.651 -9.122 -4.707 443 HG3 LYS 63 HG3 LYS 63 -2.904 -7.647 -4.090 444 HD2 LYS 63 HD2 LYS 63 -3.701 -8.226 -2.088 445 HD3 LYS 63 HD3 LYS 63 -5.301 -7.815 -2.710 446 HE2 LYS 63 HE2 LYS 63 -4.304 -10.500 -3.404 447 HE3 LYS 63 HE3 LYS 63 -4.644 -10.231 -1.696 448 HZ1 LYS 63 HZ1 LYS 63 -6.736 -10.710 -2.246 449 HZ2 LYS 63 HZ2 LYS 63 -6.465 -10.504 -3.902 450 HZ3 LYS 63 HZ3 LYS 63 -6.805 -9.164 -2.926 451 H LYS 64 H LYS 64 -5.267 -4.447 -5.766 452 HA LYS 64 HA LYS 64 -7.295 -4.689 -7.773 453 HB2 LYS 64 HB2 LYS 64 -6.521 -2.289 -6.106 454 HB3 LYS 64 HB3 LYS 64 -8.008 -2.472 -7.026 455 HG2 LYS 64 HG2 LYS 64 -7.306 -4.457 -4.908 456 HG3 LYS 64 HG3 LYS 64 -8.016 -2.900 -4.473 457 HD2 LYS 64 HD2 LYS 64 -9.298 -4.515 -6.626 458 HD3 LYS 64 HD3 LYS 64 -9.529 -5.002 -4.944 459 HE2 LYS 64 HE2 LYS 64 -10.188 -2.569 -4.522 460 HE3 LYS 64 HE3 LYS 64 -10.302 -2.421 -6.275 461 HZ1 LYS 64 HZ1 LYS 64 -12.088 -3.844 -6.367 462 HZ2 LYS 64 HZ2 LYS 64 -12.387 -3.043 -4.907 463 HZ3 LYS 64 HZ3 LYS 64 -11.722 -4.599 -4.898 464 H ALA 65 H ALA 65 -4.193 -3.107 -7.527 465 HA ALA 65 HA ALA 65 -4.329 -1.210 -9.521 466 HB1 ALA 65 HB1 ALA 65 -2.391 -1.733 -7.969 467 HB2 ALA 65 HB2 ALA 65 -1.925 -2.971 -9.135 468 HB3 ALA 65 HB3 ALA 65 -1.978 -1.277 -9.622 469 H SER 66 H SER 66 -3.949 -4.695 -9.820 470 HA SER 66 HA SER 66 -3.362 -4.696 -12.603 471 HB2 SER 66 HB2 SER 66 -2.700 -6.656 -11.520 472 HB3 SER 66 3HB SER 66 -4.214 -6.791 -10.628 473 HG SER 66 HG SER 66 -4.277 -8.298 -12.247 474 H GLN 67 H GLN 67 -6.299 -4.656 -10.729 475 HA GLN 67 HA GLN 67 -8.037 -5.425 -12.863 476 HB2 GLN 67 HB2 GLN 67 -8.512 -4.127 -10.183 477 HB3 GLN 67 HB3 GLN 67 -9.817 -4.459 -11.314 478 HG2 GLN 67 HG2 GLN 67 -8.672 -6.878 -11.241 479 HG3 GLN 67 HG3 GLN 67 -8.250 -6.301 -9.629 480 HE21 GLN 67 HE21 GLN 67 -10.313 -4.968 -8.737 481 HE22 GLN 67 HE22 GLN 67 -11.753 -5.923 -8.714 482 H LEU 68 H LEU 68 -6.982 -2.348 -11.484 483 HA LEU 68 HA LEU 68 -8.626 -0.828 -13.323 484 HB2 LEU 68 HB2 LEU 68 -6.488 0.216 -11.484 485 HB3 LEU 68 3HB LEU 68 -7.823 1.112 -12.203 486 HG LEU 68 HG LEU 68 -8.994 -0.932 -10.672 487 HD11 LEU 68 HD11 LEU 68 -6.513 -0.749 -9.677 488 HD12 LEU 68 HD12 LEU 68 -7.931 -1.087 -8.686 489 HD13 LEU 68 HD13 LEU 68 -7.289 0.553 -8.775 490 HD21 LEU 68 HD21 LEU 68 -9.885 0.915 -9.392 491 HD22 LEU 68 HD22 LEU 68 -9.860 1.336 -11.105 492 HD23 LEU 68 HD23 LEU 68 -8.635 1.990 -10.016 493 H GLY 69 H GLY 69 -5.659 -2.359 -13.463 494 HA2 GLY 69 HA1 GLY 69 -3.863 -2.230 -14.893 495 HA3 GLY 69 HA2 GLY 69 -5.029 -1.581 -16.038 496 H VAL 70 H VAL 70 -4.094 -0.054 -13.007 497 HA VAL 70 HA VAL 70 -2.961 2.167 -14.575 498 HB VAL 70 HB VAL 70 -3.529 3.652 -12.772 499 HG11 VAL 70 HG11 VAL 70 -5.598 3.835 -13.560 500 HG12 VAL 70 HG12 VAL 70 -5.410 2.246 -14.304 501 HG13 VAL 70 HG13 VAL 70 -6.106 2.388 -12.690 502 HG21 VAL 70 HG21 VAL 70 -3.879 1.132 -11.287 503 HG22 VAL 70 HG22 VAL 70 -3.330 2.712 -10.730 504 HG23 VAL 70 HG23 VAL 70 -5.053 2.398 -10.931 505 H LYS 71 H LYS 71 -2.408 -0.056 -11.943 506 HA LYS 71 HA LYS 71 -0.516 -0.658 -10.830 507 HB2 LYS 71 HB2 LYS 71 1.013 1.120 -12.730 508 HB3 LYS 71 HB3 LYS 71 1.621 -0.261 -11.824 509 HG2 LYS 71 HG2 LYS 71 1.276 -1.465 -13.654 510 HG3 LYS 71 HG3 LYS 71 -0.452 -1.309 -13.330 511 HD2 LYS 71 HD2 LYS 71 -0.725 0.378 -14.879 512 HD3 LYS 71 HD3 LYS 71 0.968 0.871 -14.796 513 HE2 LYS 71 HE2 LYS 71 1.106 -1.721 -15.720 514 HE3 LYS 71 HE3 LYS 71 -0.332 -1.087 -16.517 515 HZ1 LYS 71 HZ1 LYS 71 0.887 0.230 -17.818 516 HZ2 LYS 71 HZ2 LYS 71 2.204 -0.733 -17.371 517 HZ3 LYS 71 HZ3 LYS 71 1.905 0.721 -16.559 518 H ILE 72 H ILE 72 1.665 0.557 -9.922 519 HA ILE 72 HA ILE 72 0.837 3.172 -8.875 520 HB ILE 72 HB ILE 72 1.577 2.566 -6.622 521 HG12 ILE 72 HG12 ILE 72 2.030 -0.129 -7.895 522 HG13 ILE 72 HG13 ILE 72 3.179 0.853 -6.994 523 HG21 ILE 72 HG21 ILE 72 -0.805 2.001 -7.752 524 HG22 ILE 72 HG22 ILE 72 -0.352 0.407 -7.152 525 HG23 ILE 72 HG23 ILE 72 -0.451 1.771 -6.040 526 HD11 ILE 72 HD11 ILE 72 0.919 -0.813 -5.974 527 HD12 ILE 72 HD12 ILE 72 2.622 -0.831 -5.511 528 HD13 ILE 72 HD13 ILE 72 1.585 0.504 -5.008 529 H ARG 73 H ARG 73 2.798 3.993 -7.408 530 HA ARG 73 HA ARG 73 4.891 4.602 -9.126 531 HB2 ARG 73 HB2 ARG 73 4.174 5.704 -6.891 532 HB3 ARG 73 HB3 ARG 73 5.267 4.544 -6.146 533 HG2 ARG 73 HG2 ARG 73 6.457 6.577 -6.439 534 HG3 ARG 73 HG3 ARG 73 7.077 5.425 -7.622 535 HD2 ARG 73 HD2 ARG 73 5.653 6.440 -9.342 536 HD3 ARG 73 HD3 ARG 73 5.056 7.599 -8.155 537 HE ARG 73 HE ARG 73 7.514 7.732 -9.586 538 HH11 ARG 73 HH11 ARG 73 6.005 8.518 -6.549 539 HH12 ARG 73 HH12 ARG 73 7.081 9.831 -6.204 540 HH21 ARG 73 HH21 ARG 73 8.938 9.458 -9.143 541 HH22 ARG 73 HH22 ARG 73 8.750 10.364 -7.680 542 H ILE 74 H ILE 74 6.831 3.714 -9.593 543 HA ILE 74 HA ILE 74 7.582 1.249 -8.163 544 HB ILE 74 HB ILE 74 8.361 0.257 -10.212 545 HG12 ILE 74 HG12 ILE 74 7.442 2.805 -11.563 546 HG13 ILE 74 HG13 ILE 74 9.114 2.298 -11.345 547 HG21 ILE 74 HG21 ILE 74 5.645 1.326 -10.894 548 HG22 ILE 74 HG22 ILE 74 6.307 -0.282 -11.180 549 HG23 ILE 74 HG23 ILE 74 5.885 0.220 -9.542 550 HD11 ILE 74 HD11 ILE 74 7.020 1.118 -13.130 551 HD12 ILE 74 HD12 ILE 74 8.604 1.768 -13.557 552 HD13 ILE 74 HD13 ILE 74 8.483 0.234 -12.695 553 H LEU 75 H LEU 75 9.709 0.986 -7.661 554 HA LEU 75 HA LEU 75 11.911 1.476 -7.346 555 HB2 LEU 75 HB2 LEU 75 11.346 2.366 -10.006 556 HB3 LEU 75 3HB LEU 75 12.462 3.493 -9.238 557 HG LEU 75 HG LEU 75 13.406 0.875 -8.713 558 HD11 LEU 75 HD11 LEU 75 12.354 -0.163 -10.476 559 HD12 LEU 75 HD12 LEU 75 13.855 0.370 -11.232 560 HD13 LEU 75 HD13 LEU 75 12.369 1.287 -11.481 561 HD21 LEU 75 HD21 LEU 75 14.361 3.098 -10.510 562 HD22 LEU 75 HD22 LEU 75 15.313 1.673 -10.097 563 HD23 LEU 75 HD23 LEU 75 14.823 2.804 -8.833 564 H HIS 76 H HIS 76 10.842 4.609 -8.639 565 HA HIS 76 HA HIS 76 12.002 6.031 -6.455 566 HB2 HIS 76 HB2 HIS 76 10.443 6.751 -8.892 567 HB3 HIS 76 3HB HIS 76 10.519 7.930 -7.586 568 HD1 HIS 76 HD1 HIS 76 13.368 5.690 -8.663 569 HD2 HIS 76 HD2 HIS 76 12.277 9.698 -8.723 570 HE1 HIS 76 HE1 HIS 76 15.405 6.929 -9.461 571 H ASP 77 H ASP 77 10.908 4.980 -4.679 572 HA ASP 77 HA ASP 77 8.753 6.495 -3.673 573 HB2 ASP 77 HB2 ASP 77 7.694 4.845 -5.419 574 HB3 ASP 77 3HB ASP 77 7.900 3.660 -4.132 575 H TYR 78 H TYR 78 10.828 6.337 -2.313 576 HA TYR 78 HA TYR 78 11.590 4.113 -0.877 577 HB2 TYR 78 HB2 TYR 78 11.839 7.011 -0.558 578 HB3 TYR 78 3HB TYR 78 11.847 6.144 0.974 579 HD1 TYR 78 HD1 TYR 78 13.646 4.595 1.520 580 HD2 TYR 78 HD2 TYR 78 13.636 6.728 -2.162 581 HE1 TYR 78 HE1 TYR 78 16.013 4.017 1.185 582 HE2 TYR 78 HE2 TYR 78 16.003 6.155 -2.507 583 HH TYR 78 HH TYR 78 17.731 4.046 -0.247 584 H ALA 79 H ALA 79 9.684 6.673 0.683 585 HA ALA 79 HA ALA 79 8.145 6.584 2.367 586 HB1 ALA 79 HB1 ALA 79 6.211 5.231 1.934 587 HB2 ALA 79 HB2 ALA 79 6.813 5.857 0.399 588 HB3 ALA 79 HB3 ALA 79 7.131 4.183 0.854 589 H GLY 80 H GLY 80 6.817 4.563 3.659 590 HA2 GLY 80 HA1 GLY 80 8.831 3.602 5.429 591 HA3 GLY 80 HA2 GLY 80 7.118 3.214 5.499 592 H ILE 81 H ILE 81 7.757 2.421 2.477 593 HA ILE 81 HA ILE 81 7.912 -0.383 3.047 594 HB ILE 81 HB ILE 81 8.219 0.823 0.310 595 HG12 ILE 81 HG12 ILE 81 6.319 1.965 1.246 596 HG13 ILE 81 HG13 ILE 81 5.719 0.716 0.159 597 HG21 ILE 81 HG21 ILE 81 8.343 -1.734 1.048 598 HG22 ILE 81 HG22 ILE 81 6.595 -1.587 0.875 599 HG23 ILE 81 HG23 ILE 81 7.649 -1.223 -0.491 600 HD11 ILE 81 HD11 ILE 81 5.251 -0.721 2.074 601 HD12 ILE 81 HD12 ILE 81 5.846 0.535 3.159 602 HD13 ILE 81 HD13 ILE 81 4.402 0.820 2.190 603 H ALA 82 H ALA 82 10.066 1.974 1.493 604 HA ALA 82 HA ALA 82 12.148 0.096 0.991 605 HB1 ALA 82 HB1 ALA 82 13.501 2.330 0.797 606 HB2 ALA 82 HB2 ALA 82 12.293 1.904 -0.417 607 HB3 ALA 82 HB3 ALA 82 11.897 3.064 0.852 608 H PHE 83 H PHE 83 11.167 1.891 3.750 609 HA PHE 83 HA PHE 83 13.627 2.118 5.101 610 HB2 PHE 83 HB2 PHE 83 11.665 3.377 5.809 611 HB3 PHE 83 3HB PHE 83 10.820 1.883 6.205 612 HD1 PHE 83 HD1 PHE 83 13.690 4.018 7.139 613 HD2 PHE 83 HD2 PHE 83 11.087 0.855 8.297 614 HE1 PHE 83 HE1 PHE 83 14.582 4.126 9.429 615 HE2 PHE 83 HE2 PHE 83 11.975 0.959 10.590 616 HZ PHE 83 HZ PHE 83 13.726 2.595 11.157 617 H TRP 84 H TRP 84 11.030 -0.295 5.489 618 HA TRP 84 HA TRP 84 12.719 -1.980 7.110 619 HB2 TRP 84 HB2 TRP 84 10.759 -2.801 7.807 620 HB3 TRP 84 3HB TRP 84 9.945 -1.693 6.704 621 HD1 TRP 84 HD1 TRP 84 11.257 -5.321 6.823 622 HE1 TRP 84 HE1 TRP 84 9.916 -6.715 5.125 623 HE3 TRP 84 HE3 TRP 84 8.513 -1.575 4.687 624 HZ2 TRP 84 HZ2 TRP 84 7.954 -6.283 3.142 625 HZ3 TRP 84 HZ3 TRP 84 6.926 -2.149 2.895 626 HH2 TRP 84 HH2 TRP 84 6.655 -4.455 2.140 627 H ALA 85 H ALA 85 11.896 -1.681 3.770 628 HA ALA 85 HA ALA 85 12.263 -4.237 2.792 629 HB1 ALA 85 HB1 ALA 85 11.522 -2.487 1.343 630 HB2 ALA 85 HB2 ALA 85 13.028 -1.595 1.562 631 HB3 ALA 85 HB3 ALA 85 13.030 -3.130 0.691 632 H THR 86 H THR 86 14.623 -1.996 4.022 633 HA THR 86 HA THR 86 16.941 -3.130 2.888 634 HB THR 86 HB THR 86 18.200 -1.928 4.551 635 HG1 THR 86 HG1 THR 86 15.779 -2.057 5.961 636 HG21 THR 86 HG21 THR 86 15.902 -0.070 4.199 637 HG22 THR 86 HG22 THR 86 16.668 -0.724 2.750 638 HG23 THR 86 HG23 THR 86 17.623 0.192 3.916 639 H GLY 87 H GLY 87 15.033 -3.958 5.710 640 HA2 GLY 87 HA1 GLY 87 15.080 -5.798 7.080 641 HA3 GLY 87 HA2 GLY 87 16.049 -6.583 5.843 642 H GLU 88 H GLU 88 16.779 -3.703 7.781 643 HA GLU 88 HA GLU 88 19.438 -4.324 8.242 644 HB2 GLU 88 HB2 GLU 88 17.481 -2.448 9.349 645 HB3 GLU 88 HB3 GLU 88 18.740 -2.898 10.491 646 HG2 GLU 88 HG2 GLU 88 20.450 -2.112 9.048 647 HG3 GLU 88 HG3 GLU 88 19.315 -1.905 7.715 648 H TRP 89 H TRP 89 16.584 -5.488 9.839 649 HA TRP 89 HA TRP 89 18.261 -6.914 11.795 650 HB2 TRP 89 HB2 TRP 89 15.402 -5.973 11.920 651 HB3 TRP 89 3HB TRP 89 16.014 -7.211 13.011 652 HD1 TRP 89 HD1 TRP 89 17.841 -3.970 11.938 653 HE1 TRP 89 HE1 TRP 89 18.379 -2.621 14.063 654 HE3 TRP 89 HE3 TRP 89 15.507 -6.929 15.392 655 HZ2 TRP 89 HZ2 TRP 89 17.880 -2.789 16.836 656 HZ3 TRP 89 HZ3 TRP 89 15.585 -6.265 17.760 657 HH2 TRP 89 HH2 TRP 89 16.748 -4.237 18.465 658 H LYS 90 H LYS 90 17.597 -9.106 12.352 659 HA LYS 90 HA LYS 90 17.415 -10.810 10.201 660 HB2 LYS 90 HB2 LYS 90 16.592 -11.215 13.075 661 HB3 LYS 90 HB3 LYS 90 16.593 -12.519 11.895 662 HG2 LYS 90 HG2 LYS 90 18.873 -12.611 11.787 663 HG3 LYS 90 HG3 LYS 90 19.073 -10.914 12.232 664 HD2 LYS 90 HD2 LYS 90 17.825 -12.217 14.412 665 HD3 LYS 90 HD3 LYS 90 19.175 -13.232 13.897 666 HE2 LYS 90 HE2 LYS 90 20.405 -11.868 15.187 667 HE3 LYS 90 HE3 LYS 90 20.304 -10.761 13.819 668 HZ1 LYS 90 HZ1 LYS 90 19.408 -9.342 15.258 669 HZ2 LYS 90 HZ2 LYS 90 19.157 -10.533 16.432 670 HZ3 LYS 90 HZ3 LYS 90 18.012 -10.294 15.210 671 H ALA 91 H ALA 91 15.721 -12.175 9.410 672 HA ALA 91 HA ALA 91 13.415 -10.893 8.629 673 HB1 ALA 91 HB1 ALA 91 14.550 -13.357 8.159 674 HB2 ALA 91 HB2 ALA 91 13.009 -13.758 8.919 675 HB3 ALA 91 HB3 ALA 91 13.041 -12.759 7.466 676 H LYS 92 H LYS 92 14.050 -12.633 11.585 677 HA LYS 92 HA LYS 92 11.517 -13.197 12.508 678 HB2 LYS 92 HB2 LYS 92 14.075 -13.218 13.575 679 HB3 LYS 92 HB3 LYS 92 13.215 -12.076 14.600 680 HG2 LYS 92 HG2 LYS 92 11.934 -13.671 15.533 681 HG3 LYS 92 HG3 LYS 92 11.797 -14.591 14.033 682 HD2 LYS 92 HD2 LYS 92 14.368 -15.030 14.502 683 HD3 LYS 92 HD3 LYS 92 13.866 -14.717 16.165 684 HE2 LYS 92 HE2 LYS 92 11.943 -16.402 15.560 685 HE3 LYS 92 HE3 LYS 92 13.084 -16.928 14.322 686 HZ1 LYS 92 HZ1 LYS 92 13.478 -18.264 16.198 687 HZ2 LYS 92 HZ2 LYS 92 13.455 -16.949 17.260 688 HZ3 LYS 92 HZ3 LYS 92 14.743 -17.140 16.181 689 H ASN 93 H ASN 93 13.090 -10.111 12.203 690 HA ASN 93 HA ASN 93 11.699 -8.519 13.961 691 HB2 ASN 93 HB2 ASN 93 13.533 -7.989 12.111 692 HB3 ASN 93 3HB ASN 93 12.118 -7.474 11.198 693 HD21 ASN 93 HD21 ASN 93 10.534 -6.225 12.829 694 HD22 ASN 93 HD22 ASN 93 11.306 -4.902 13.628 695 H GLU 94 H GLU 94 9.566 -8.726 14.307 696 HA GLU 94 HA GLU 94 7.316 -8.762 13.953 697 HB2 GLU 94 HB2 GLU 94 8.078 -7.013 11.606 698 HB3 GLU 94 HB3 GLU 94 6.462 -7.169 12.279 699 HG2 GLU 94 HG2 GLU 94 7.103 -6.118 14.301 700 HG3 GLU 94 HG3 GLU 94 8.812 -6.203 13.879 701 H PHE 95 H PHE 95 5.650 -8.887 11.870 702 HA PHE 95 HA PHE 95 6.345 -11.454 10.668 703 HB2 PHE 95 HB2 PHE 95 3.880 -10.130 11.488 704 HB3 PHE 95 3HB PHE 95 3.756 -10.838 9.882 705 HD1 PHE 95 HD1 PHE 95 4.654 -11.611 13.393 706 HD2 PHE 95 HD2 PHE 95 3.437 -13.132 9.609 707 HE1 PHE 95 HE1 PHE 95 4.291 -13.825 14.404 708 HE2 PHE 95 HE2 PHE 95 3.072 -15.348 10.614 709 HZ PHE 95 HZ PHE 95 3.499 -15.697 13.014 710 H THR 96 H THR 96 7.287 -8.680 9.789 711 HA THR 96 HA THR 96 6.164 -7.930 7.369 712 HB THR 96 HB THR 96 8.831 -7.454 6.930 713 HG1 THR 96 HG1 THR 96 8.598 -6.984 9.681 714 HG21 THR 96 HG21 THR 96 6.512 -6.011 7.829 715 HG22 THR 96 HG22 THR 96 7.878 -5.439 6.871 716 HG23 THR 96 HG23 THR 96 7.956 -5.395 8.632 717 H GLN 97 H GLN 97 8.164 -10.658 8.126 718 HA GLN 97 HA GLN 97 9.325 -11.310 5.726 719 HB2 GLN 97 HB2 GLN 97 7.978 -13.300 7.559 720 HB3 GLN 97 HB3 GLN 97 9.308 -13.612 6.451 721 HG2 GLN 97 HG2 GLN 97 10.820 -12.982 7.945 722 HG3 GLN 97 HG3 GLN 97 9.946 -11.495 8.311 723 HE21 GLN 97 HE21 GLN 97 7.639 -12.327 9.371 724 HE22 GLN 97 HE22 GLN 97 7.910 -13.235 10.816 725 H ALA 98 H ALA 98 6.014 -12.063 6.774 726 HA ALA 98 HA ALA 98 5.223 -13.489 4.500 727 HB1 ALA 98 HB1 ALA 98 2.892 -12.793 5.196 728 HB2 ALA 98 HB2 ALA 98 3.852 -13.628 6.419 729 HB3 ALA 98 HB3 ALA 98 3.654 -11.877 6.496 730 H TYR 99 H TYR 99 5.023 -10.025 5.234 731 HA TYR 99 HA TYR 99 3.579 -9.160 3.041 732 HB2 TYR 99 HB2 TYR 99 5.811 -7.830 4.576 733 HB3 TYR 99 3HB TYR 99 4.905 -7.004 3.313 734 HD1 TYR 99 HD1 TYR 99 2.188 -8.212 3.919 735 HD2 TYR 99 HD2 TYR 99 5.169 -6.524 6.443 736 HE1 TYR 99 HE1 TYR 99 0.453 -7.610 5.554 737 HE2 TYR 99 HE2 TYR 99 3.443 -5.918 8.086 738 HH TYR 99 HH TYR 99 0.018 -6.685 7.522 739 H ALA 100 H ALA 100 6.957 -10.067 3.265 740 HA ALA 100 HA ALA 100 7.712 -9.059 0.704 741 HB1 ALA 100 HB1 ALA 100 9.142 -11.292 2.096 742 HB2 ALA 100 HB2 ALA 100 9.802 -9.997 1.097 743 HB3 ALA 100 HB3 ALA 100 9.211 -9.644 2.720 744 H LYS 101 H LYS 101 6.308 -12.029 1.862 745 HA LYS 101 HA LYS 101 6.870 -13.570 -0.481 746 HB2 LYS 101 HB2 LYS 101 4.617 -14.154 1.419 747 HB3 LYS 101 HB3 LYS 101 5.617 -15.284 0.516 748 HG2 LYS 101 HG2 LYS 101 6.426 -13.655 2.913 749 HG3 LYS 101 HG3 LYS 101 6.216 -15.406 2.825 750 HD2 LYS 101 HD2 LYS 101 8.023 -14.987 0.839 751 HD3 LYS 101 HD3 LYS 101 8.476 -13.724 1.985 752 HE2 LYS 101 HE2 LYS 101 8.670 -15.387 3.756 753 HE3 LYS 101 HE3 LYS 101 8.171 -16.654 2.636 754 HZ1 LYS 101 HZ1 LYS 101 10.531 -16.696 2.823 755 HZ2 LYS 101 HZ2 LYS 101 10.656 -15.038 2.510 756 HZ3 LYS 101 HZ3 LYS 101 10.155 -16.096 1.287 757 H LEU 102 H LEU 102 4.035 -11.810 0.721 758 HA LEU 102 HA LEU 102 2.249 -12.496 -1.310 759 HB2 LEU 102 HB2 LEU 102 2.385 -9.859 0.141 760 HB3 LEU 102 3HB LEU 102 0.976 -10.556 -0.656 761 HG LEU 102 HG LEU 102 2.317 -11.601 1.837 762 HD11 LEU 102 HD11 LEU 102 0.553 -10.737 3.053 763 HD12 LEU 102 HD12 LEU 102 -0.488 -10.590 1.638 764 HD13 LEU 102 HD13 LEU 102 0.850 -9.465 1.867 765 HD21 LEU 102 HD21 LEU 102 0.496 -13.210 1.923 766 HD22 LEU 102 HD22 LEU 102 1.427 -13.406 0.437 767 HD23 LEU 102 HD23 LEU 102 -0.140 -12.595 0.397 768 H MET 103 H MET 103 5.006 -10.466 -1.381 769 HA MET 103 HA MET 103 4.393 -8.608 -3.337 770 HB2 MET 103 HB2 MET 103 6.489 -8.504 -2.158 771 HB3 MET 103 HB3 MET 103 6.985 -10.063 -2.803 772 HG2 MET 103 HG2 MET 103 7.103 -9.126 -5.037 773 HG3 MET 103 HG3 MET 103 6.542 -7.571 -4.430 774 HE1 MET 103 HE1 MET 103 10.217 -9.586 -4.892 775 HE2 MET 103 HE2 MET 103 8.940 -9.024 -5.971 776 HE3 MET 103 HE3 MET 103 10.343 -8.000 -5.654 777 H ASN 104 H ASN 104 6.154 -11.650 -3.960 778 HA ASN 104 HA ASN 104 5.931 -11.592 -6.728 779 HB2 ASN 104 HB2 ASN 104 7.467 -13.108 -5.644 780 HB3 ASN 104 3HB ASN 104 6.141 -13.959 -4.857 781 HD21 ASN 104 HD21 ASN 104 4.779 -15.280 -6.108 782 HD22 ASN 104 HD22 ASN 104 5.290 -15.899 -7.638 783 H GLN 105 H GLN 105 3.669 -12.719 -4.304 784 HA GLN 105 HA GLN 105 1.939 -14.242 -5.829 785 HB2 GLN 105 HB2 GLN 105 1.929 -13.107 -3.261 786 HB3 GLN 105 HB3 GLN 105 0.450 -12.545 -4.028 787 HG2 GLN 105 HG2 GLN 105 1.164 -15.431 -4.186 788 HG3 GLN 105 HG3 GLN 105 0.494 -14.782 -2.690 789 HE21 GLN 105 HE21 GLN 105 -0.111 -14.557 -6.183 790 HE22 GLN 105 HE22 GLN 105 -1.825 -14.734 -6.071 791 H TYR 106 H TYR 106 1.866 -10.723 -5.312 792 HA TYR 106 HA TYR 106 0.076 -10.510 -7.643 793 HB2 TYR 106 HB2 TYR 106 -0.514 -8.241 -6.603 794 HB3 TYR 106 3HB TYR 106 -1.138 -9.681 -5.804 795 HD1 TYR 106 HD1 TYR 106 1.943 -7.557 -5.688 796 HD2 TYR 106 HD2 TYR 106 -1.020 -9.693 -3.507 797 HE1 TYR 106 HE1 TYR 106 2.977 -6.824 -3.580 798 HE2 TYR 106 HE2 TYR 106 0.004 -8.965 -1.392 799 HH TYR 106 HH TYR 106 3.011 -7.110 -1.350 800 H ARG 107 H ARG 107 2.993 -10.655 -7.672 801 HA ARG 107 HA ARG 107 3.894 -7.967 -8.269 802 HB2 ARG 107 HB2 ARG 107 5.515 -9.338 -7.206 803 HB3 ARG 107 HB3 ARG 107 5.229 -10.667 -8.322 804 HG2 ARG 107 HG2 ARG 107 6.061 -8.298 -9.736 805 HG3 ARG 107 HG3 ARG 107 7.220 -8.733 -8.478 806 HD2 ARG 107 HD2 ARG 107 7.457 -10.942 -9.372 807 HD3 ARG 107 HD3 ARG 107 6.140 -10.674 -10.512 808 HE ARG 107 HE ARG 107 8.049 -8.738 -11.034 809 HH11 ARG 107 HH11 ARG 107 7.819 -12.211 -11.095 810 HH12 ARG 107 HH12 ARG 107 8.982 -12.396 -12.366 811 HH21 ARG 107 HH21 ARG 107 9.582 -8.970 -12.708 812 HH22 ARG 107 HH22 ARG 107 9.984 -10.552 -13.282 813 H GLY 108 H GLY 108 3.873 -7.042 -10.214 814 HA2 GLY 108 HA1 GLY 108 4.517 -7.959 -12.652 815 HA3 GLY 108 HA2 GLY 108 2.873 -8.555 -12.479 816 H ILE 109 H ILE 109 2.348 -6.058 -10.779 817 HA ILE 109 HA ILE 109 1.866 -4.276 -13.071 818 HB ILE 109 HB ILE 109 0.145 -3.226 -11.494 819 HG12 ILE 109 HG12 ILE 109 1.236 -4.719 -9.572 820 HG13 ILE 109 HG13 ILE 109 -0.465 -4.265 -9.544 821 HG21 ILE 109 HG21 ILE 109 -1.495 -5.125 -11.960 822 HG22 ILE 109 HG22 ILE 109 -0.660 -4.420 -13.343 823 HG23 ILE 109 HG23 ILE 109 -0.127 -5.967 -12.686 824 HD11 ILE 109 HD11 ILE 109 -1.121 -6.401 -10.358 825 HD12 ILE 109 HD12 ILE 109 0.553 -6.855 -10.679 826 HD13 ILE 109 HD13 ILE 109 -0.004 -6.653 -9.017 827 H TYR 110 H TYR 110 3.135 -4.448 -9.808 828 HA TYR 110 HA TYR 110 4.122 -1.686 -10.103 829 HB2 TYR 110 HB2 TYR 110 3.807 -1.277 -7.841 830 HB3 TYR 110 3HB TYR 110 2.415 -2.284 -8.219 831 HD1 TYR 110 HD1 TYR 110 2.899 -4.904 -7.927 832 HD2 TYR 110 HD2 TYR 110 4.990 -1.782 -5.929 833 HE1 TYR 110 HE1 TYR 110 3.558 -6.483 -6.160 834 HE2 TYR 110 HE2 TYR 110 5.654 -3.353 -4.157 835 HH TYR 110 HH TYR 110 4.675 -5.588 -3.218 836 H SER 111 H SER 111 6.065 -1.389 -8.458 837 HA SER 111 HA SER 111 7.811 -3.708 -8.370 838 HB2 SER 111 HB2 SER 111 9.215 -1.412 -9.528 839 HB3 SER 111 3HB SER 111 9.266 -3.113 -9.990 840 HG SER 111 HG SER 111 7.912 -2.691 -11.530 841 H PHE 112 H PHE 112 9.356 -3.583 -6.790 842 HA PHE 112 HA PHE 112 9.956 -1.069 -5.496 843 HB2 PHE 112 HB2 PHE 112 7.956 -2.876 -4.428 844 HB3 PHE 112 3HB PHE 112 9.293 -2.668 -3.301 845 HD1 PHE 112 HD1 PHE 112 6.600 -0.959 -5.119 846 HD2 PHE 112 HD2 PHE 112 9.669 -0.587 -2.193 847 HE1 PHE 112 HE1 PHE 112 5.652 1.196 -4.403 848 HE2 PHE 112 HE2 PHE 112 8.725 1.567 -1.472 849 HZ PHE 112 HZ PHE 112 6.714 2.461 -2.577 850 H GLU 113 H GLU 113 11.440 -1.507 -3.533 851 HA GLU 113 HA GLU 113 13.597 -3.143 -4.473 852 HB2 GLU 113 HB2 GLU 113 13.401 -0.908 -2.866 853 HB3 GLU 113 HB3 GLU 113 13.814 -2.176 -1.721 854 HG2 GLU 113 HG2 GLU 113 15.521 -2.583 -3.879 855 HG3 GLU 113 HG3 GLU 113 15.468 -0.834 -3.658 856 H LYS 114 H LYS 114 14.622 -4.846 -3.281 857 HA LYS 114 HA LYS 114 12.967 -6.911 -2.508 858 HB2 LYS 114 HB2 LYS 114 15.358 -7.155 -3.109 859 HB3 LYS 114 HB3 LYS 114 15.801 -6.441 -1.564 860 HG2 LYS 114 HG2 LYS 114 14.322 -8.390 -0.607 861 HG3 LYS 114 HG3 LYS 114 14.694 -9.133 -2.165 862 HD2 LYS 114 HD2 LYS 114 17.080 -8.869 -1.735 863 HD3 LYS 114 HD3 LYS 114 16.726 -8.081 -0.195 864 HE2 LYS 114 HE2 LYS 114 17.251 -10.319 0.333 865 HE3 LYS 114 HE3 LYS 114 15.495 -10.198 0.448 866 HZ1 LYS 114 HZ1 LYS 114 15.272 -11.749 -1.098 867 HZ2 LYS 114 HZ2 LYS 114 16.945 -11.995 -1.061 868 HZ3 LYS 114 HZ3 LYS 114 16.274 -10.917 -2.179 869 H VAL 115 H VAL 115 11.938 -7.501 -0.693 870 HA VAL 115 HA VAL 115 12.447 -5.928 1.749 871 HB VAL 115 HB VAL 115 9.965 -6.547 2.252 872 HG11 VAL 115 HG11 VAL 115 10.380 -4.290 2.131 873 HG12 VAL 115 HG12 VAL 115 11.028 -4.387 0.492 874 HG13 VAL 115 HG13 VAL 115 9.289 -4.499 0.762 875 HG21 VAL 115 HG21 VAL 115 8.569 -7.090 0.521 876 HG22 VAL 115 HG22 VAL 115 9.619 -6.372 -0.700 877 HG23 VAL 115 HG23 VAL 115 10.031 -7.933 0.010 878 H LYS 116 H LYS 116 12.385 -6.999 3.717 879 HA LYS 116 HA LYS 116 12.047 -9.914 3.649 880 HB2 LYS 116 HB2 LYS 116 14.431 -8.378 4.651 881 HB3 LYS 116 HB3 LYS 116 14.047 -9.975 5.284 882 HG2 LYS 116 HG2 LYS 116 14.033 -9.915 2.385 883 HG3 LYS 116 HG3 LYS 116 15.583 -9.411 3.063 884 HD2 LYS 116 HD2 LYS 116 15.150 -11.541 4.602 885 HD3 LYS 116 HD3 LYS 116 14.209 -12.040 3.193 886 HE2 LYS 116 HE2 LYS 116 16.743 -10.953 2.376 887 HE3 LYS 116 HE3 LYS 116 16.982 -12.235 3.562 888 HZ1 LYS 116 HZ1 LYS 116 15.924 -13.783 2.212 889 HZ2 LYS 116 HZ2 LYS 116 16.853 -12.888 1.120 890 HZ3 LYS 116 HZ3 LYS 116 15.189 -12.606 1.244 891 H ALA 117 H ALA 117 13.169 -7.683 6.172 892 HA ALA 117 HA ALA 117 10.733 -7.424 7.535 893 HB1 ALA 117 HB1 ALA 117 11.502 -9.983 7.754 894 HB2 ALA 117 HB2 ALA 117 12.361 -9.299 9.134 895 HB3 ALA 117 HB3 ALA 117 10.610 -9.129 9.014 896 H HIS 118 H HIS 118 10.920 -5.835 9.004 897 HA HIS 118 HA HIS 118 13.137 -5.409 10.684 898 HB2 HIS 118 HB2 HIS 118 14.247 -4.766 8.578 899 HB3 HIS 118 3HB HIS 118 12.997 -3.558 8.293 900 HD1 HIS 118 HD1 HIS 118 13.527 -1.282 9.104 901 HD2 HIS 118 HD2 HIS 118 15.733 -4.187 11.092 902 HE1 HIS 118 HE1 HIS 118 15.098 -0.020 10.608 903 H SER 119 H SER 119 12.903 -3.520 12.023 904 HA SER 119 HA SER 119 10.336 -3.003 12.869 905 HB2 SER 119 HB2 SER 119 11.242 -1.224 14.202 906 HB3 SER 119 3HB SER 119 12.473 -2.483 14.106 907 HG SER 119 HG SER 119 12.926 -0.056 13.618 908 H GLY 120 H GLY 120 9.249 -0.806 12.921 909 HA2 GLY 120 HA1 GLY 120 9.199 0.256 10.169 910 HA3 GLY 120 HA2 GLY 120 7.829 0.252 11.269 911 H ASN 121 H ASN 121 7.762 2.550 10.574 912 HA ASN 121 HA ASN 121 8.648 4.242 12.611 913 HB2 ASN 121 HB2 ASN 121 10.746 3.679 10.932 914 HB3 ASN 121 3HB ASN 121 10.117 5.174 10.245 915 HD21 ASN 121 HD21 ASN 121 11.658 6.572 10.858 916 HD22 ASN 121 HD22 ASN 121 12.075 6.914 12.498 917 H GLU 122 H GLU 122 8.799 6.684 11.396 918 HA GLU 122 HA GLU 122 6.082 7.012 10.465 919 HB2 GLU 122 HB2 GLU 122 6.442 9.365 10.726 920 HB3 GLU 122 HB3 GLU 122 7.152 8.556 12.116 921 HG2 GLU 122 HG2 GLU 122 9.359 8.816 11.211 922 HG3 GLU 122 HG3 GLU 122 8.708 9.472 9.710 923 H PHE 123 H PHE 123 8.778 6.101 8.936 924 HA PHE 123 HA PHE 123 9.142 7.759 6.752 925 HB2 PHE 123 HB2 PHE 123 9.498 4.830 7.212 926 HB3 PHE 123 3HB PHE 123 9.625 5.440 5.566 927 HD1 PHE 123 HD1 PHE 123 10.801 6.554 8.933 928 HD2 PHE 123 HD2 PHE 123 11.780 5.747 4.870 929 HE1 PHE 123 HE1 PHE 123 13.129 7.218 9.366 930 HE2 PHE 123 HE2 PHE 123 14.110 6.409 5.297 931 HZ PHE 123 HZ PHE 123 14.787 7.148 7.546 932 H ASN 124 H ASN 124 6.563 5.515 7.426 933 HA ASN 124 HA ASN 124 5.512 5.439 4.771 934 HB2 ASN 124 HB2 ASN 124 3.697 4.210 5.685 935 HB3 ASN 124 3HB ASN 124 5.118 3.717 6.600 936 HD21 ASN 124 HD21 ASN 124 5.438 4.670 8.701 937 HD22 ASN 124 HD22 ASN 124 4.069 5.168 9.629 938 H ASP 125 H ASP 125 4.876 7.362 7.654 939 HA ASP 125 HA ASP 125 2.534 8.635 6.894 940 HB2 ASP 125 HB2 ASP 125 4.704 9.149 8.793 941 HB3 ASP 125 3HB ASP 125 3.914 10.615 8.220 942 H TYR 126 H TYR 126 5.750 9.035 5.696 943 HA TYR 126 HA TYR 126 5.729 11.607 4.692 944 HB2 TYR 126 HB2 TYR 126 7.767 10.541 4.433 945 HB3 TYR 126 3HB TYR 126 7.036 9.063 3.815 946 HD1 TYR 126 HD1 TYR 126 6.342 8.913 1.458 947 HD2 TYR 126 HD2 TYR 126 8.347 12.350 2.964 948 HE1 TYR 126 HE1 TYR 126 6.845 9.621 -0.843 949 HE2 TYR 126 HE2 TYR 126 8.855 13.068 0.667 950 HH TYR 126 HH TYR 126 9.035 11.474 -1.761 951 H VAL 127 H VAL 127 4.158 8.730 3.450 952 HA VAL 127 HA VAL 127 3.522 9.552 0.876 953 HB VAL 127 HB VAL 127 1.619 8.004 0.982 954 HG11 VAL 127 HG11 VAL 127 3.677 6.964 0.510 955 HG12 VAL 127 HG12 VAL 127 4.222 7.100 2.183 956 HG13 VAL 127 HG13 VAL 127 2.932 5.972 1.762 957 HG21 VAL 127 HG21 VAL 127 0.524 7.759 2.900 958 HG22 VAL 127 HG22 VAL 127 1.890 6.825 3.508 959 HG23 VAL 127 HG23 VAL 127 1.813 8.563 3.797 960 H ASP 128 H ASP 128 2.265 10.618 3.912 961 HA ASP 128 HA ASP 128 -0.243 11.584 3.183 962 HB2 ASP 128 HB2 ASP 128 1.720 12.744 5.174 963 HB3 ASP 128 3HB ASP 128 0.010 13.159 5.078 964 H MET 129 H MET 129 2.876 13.312 3.187 965 HA MET 129 HA MET 129 1.791 15.653 1.970 966 HB2 MET 129 HB2 MET 129 4.160 14.998 3.265 967 HB3 MET 129 HB3 MET 129 4.659 15.297 1.606 968 HG2 MET 129 HG2 MET 129 4.107 17.504 1.684 969 HG3 MET 129 HG3 MET 129 2.842 17.258 2.886 970 HE1 MET 129 HE1 MET 129 6.312 15.541 3.737 971 HE2 MET 129 HE2 MET 129 6.611 16.642 2.393 972 HE3 MET 129 HE3 MET 129 7.302 16.980 3.980 973 H LYS 130 H LYS 130 3.585 12.845 0.788 974 HA LYS 130 HA LYS 130 4.053 13.691 -1.825 975 HB2 LYS 130 HB2 LYS 130 4.472 11.368 -0.368 976 HB3 LYS 130 HB3 LYS 130 3.377 10.861 -1.648 977 HG2 LYS 130 HG2 LYS 130 5.972 12.321 -2.095 978 HG3 LYS 130 HG3 LYS 130 5.762 10.572 -2.215 979 HD2 LYS 130 HD2 LYS 130 5.389 11.020 -4.393 980 HD3 LYS 130 HD3 LYS 130 3.766 11.429 -3.830 981 HE2 LYS 130 HE2 LYS 130 4.080 13.452 -4.702 982 HE3 LYS 130 HE3 LYS 130 5.254 13.740 -3.418 983 HZ1 LYS 130 HZ1 LYS 130 6.238 12.281 -5.727 984 HZ2 LYS 130 HZ2 LYS 130 6.978 13.502 -4.821 985 HZ3 LYS 130 HZ3 LYS 130 5.838 13.900 -6.006 986 H ALA 131 H ALA 131 1.323 11.776 -0.568 987 HA ALA 131 HA ALA 131 -0.113 11.495 -2.916 988 HB1 ALA 131 HB1 ALA 131 -0.775 11.447 -0.038 989 HB2 ALA 131 HB2 ALA 131 -2.125 11.669 -1.152 990 HB3 ALA 131 HB3 ALA 131 -1.086 10.251 -1.297 991 H LYS 132 H LYS 132 0.034 14.227 -0.702 992 HA LYS 132 HA LYS 132 -2.114 15.732 -1.573 993 HB2 LYS 132 HB2 LYS 132 0.166 16.147 0.039 994 HB3 LYS 132 HB3 LYS 132 0.146 17.455 -1.135 995 HG2 LYS 132 HG2 LYS 132 -2.428 17.490 -0.389 996 HG3 LYS 132 HG3 LYS 132 -1.693 16.877 1.095 997 HD2 LYS 132 HD2 LYS 132 -0.059 18.809 0.915 998 HD3 LYS 132 HD3 LYS 132 -1.120 19.463 -0.336 999 HE2 LYS 132 HE2 LYS 132 -2.909 19.720 1.176 1000 HE3 LYS 132 HE3 LYS 132 -2.134 18.705 2.390 1001 HZ1 LYS 132 HZ1 LYS 132 -1.701 20.774 3.211 1002 HZ2 LYS 132 HZ2 LYS 132 -1.595 21.499 1.687 1003 HZ3 LYS 132 HZ3 LYS 132 -0.316 20.554 2.265 1004 H SER 133 H SER 133 0.978 15.193 -3.105 1005 HA SER 133 HA SER 133 0.686 17.288 -5.042 1006 HB2 SER 133 HB2 SER 133 2.496 14.882 -5.276 1007 HB3 SER 133 3HB SER 133 2.709 16.476 -5.999 1008 HG SER 133 HG SER 133 3.908 15.858 -3.950 1009 H ALA 134 H ALA 134 -0.038 13.857 -4.898 1010 HA ALA 134 HA ALA 134 -0.514 13.402 -7.626 1011 HB1 ALA 134 HB1 ALA 134 -0.374 11.760 -5.594 1012 HB2 ALA 134 HB2 ALA 134 -2.124 11.987 -5.554 1013 HB3 ALA 134 HB3 ALA 134 -1.349 11.354 -7.006 1014 H LEU 135 H LEU 135 -2.490 14.835 -5.124 1015 HA LEU 135 HA LEU 135 -4.924 14.753 -6.647 1016 HB2 LEU 135 HB2 LEU 135 -4.291 16.487 -4.269 1017 HB3 LEU 135 3HB LEU 135 -5.885 16.036 -4.870 1018 HG LEU 135 HG LEU 135 -4.124 13.813 -4.037 1019 HD11 LEU 135 HD11 LEU 135 -5.545 15.250 -1.857 1020 HD12 LEU 135 HD12 LEU 135 -3.963 15.843 -2.364 1021 HD13 LEU 135 HD13 LEU 135 -4.140 14.187 -1.785 1022 HD21 LEU 135 HD21 LEU 135 -6.711 13.824 -2.861 1023 HD22 LEU 135 HD22 LEU 135 -6.081 12.773 -4.129 1024 HD23 LEU 135 HD23 LEU 135 -6.870 14.293 -4.554 1025 H GLY 136 H GLY 136 -2.662 17.340 -5.697 1026 HA2 GLY 136 HA1 GLY 136 -1.980 18.906 -7.467 1027 HA3 GLY 136 HA2 GLY 136 -3.649 18.883 -8.016 1028 H ILE 137 H ILE 137 -2.437 19.142 -4.700 1029 HA ILE 137 HA ILE 137 -4.183 21.327 -4.136 1030 HB ILE 137 HB ILE 137 -1.851 20.445 -2.443 1031 HG12 ILE 137 HG12 ILE 137 -3.139 18.460 -2.991 1032 HG13 ILE 137 HG13 ILE 137 -3.458 18.918 -1.321 1033 HG21 ILE 137 HG21 ILE 137 -3.843 21.096 -0.745 1034 HG22 ILE 137 HG22 ILE 137 -2.616 22.231 -1.303 1035 HG23 ILE 137 HG23 ILE 137 -4.196 22.188 -2.083 1036 HD11 ILE 137 HD11 ILE 137 -5.301 18.495 -3.417 1037 HD12 ILE 137 HD12 ILE 137 -5.623 18.958 -1.746 1038 HD13 ILE 137 HD13 ILE 137 -5.374 20.199 -2.973 1039 H ARG 138 H ARG 138 -3.596 23.458 -3.512 1040 HA ARG 138 HA ARG 138 -1.328 24.482 -5.027 1041 HB2 ARG 138 HB2 ARG 138 -3.923 25.456 -4.341 1042 HB3 ARG 138 HB3 ARG 138 -2.725 26.571 -3.695 1043 HG2 ARG 138 HG2 ARG 138 -1.926 25.915 -6.324 1044 HG3 ARG 138 HG3 ARG 138 -3.650 26.291 -6.369 1045 HD2 ARG 138 HD2 ARG 138 -2.790 28.284 -4.787 1046 HD3 ARG 138 HD3 ARG 138 -1.338 28.025 -5.755 1047 HE ARG 138 HE ARG 138 -3.755 29.254 -6.607 1048 HH11 ARG 138 HH11 ARG 138 -1.131 27.239 -7.691 1049 HH12 ARG 138 HH12 ARG 138 -1.269 27.726 -9.347 1050 HH21 ARG 138 HH21 ARG 138 -3.947 29.902 -8.786 1051 HH22 ARG 138 HH22 ARG 138 -2.871 29.241 -9.970 1052 H ASP 139 H ASP 139 -0.047 26.286 -4.022 1053 HA ASP 139 HA ASP 139 0.184 26.652 -1.264 1054 HB2 ASP 139 HB2 ASP 139 2.402 25.366 -0.992 1055 HB3 ASP 139 3HB ASP 139 0.903 24.445 -0.924 1056 H LEU 140 H LEU 140 2.695 27.290 -0.788 1057 HA LEU 140 HA LEU 140 3.292 29.287 -2.846 1058 HB2 LEU 140 HB2 LEU 140 3.070 29.494 -0.120 1059 HB3 LEU 140 3HB LEU 140 4.815 29.407 -0.355 1060 HG LEU 140 HG LEU 140 3.265 31.345 -2.001 1061 HD11 LEU 140 HD11 LEU 140 3.946 31.745 0.908 1062 HD12 LEU 140 HD12 LEU 140 2.335 31.722 0.192 1063 HD13 LEU 140 HD13 LEU 140 3.457 33.023 -0.204 1064 HD21 LEU 140 HD21 LEU 140 5.488 32.593 -1.130 1065 HD22 LEU 140 HD22 LEU 140 5.427 31.596 -2.583 1066 HD23 LEU 140 HD23 LEU 140 6.026 30.914 -1.070 1067 H GLU 141 H GLU 141 5.587 29.776 -3.278 1068 HA GLU 141 HA GLU 141 6.983 27.563 -4.207 1069 HB2 GLU 141 HB2 GLU 141 8.923 29.110 -4.426 1070 HB3 GLU 141 HB3 GLU 141 7.432 29.748 -5.102 1071 HG2 GLU 141 HG2 GLU 141 7.288 31.413 -3.584 1072 HG3 GLU 141 HG3 GLU 141 8.013 30.453 -2.296 1073 H HIS 142 H HIS 142 8.592 26.283 -3.424 1074 HA HIS 142 HA HIS 142 10.104 26.816 -1.102 1075 HB2 HIS 142 HB2 HIS 142 7.601 26.140 -0.371 1076 HB3 HIS 142 3HB HIS 142 8.309 24.532 -0.505 1077 HD1 HIS 142 HD1 HIS 142 7.883 27.212 1.835 1078 HD2 HIS 142 HD2 HIS 142 10.817 24.360 1.120 1079 HE1 HIS 142 HE1 HIS 142 9.242 27.103 3.947 1080 H HIS 143 H HIS 143 11.584 25.105 -0.582 1081 HA HIS 143 HA HIS 143 11.585 22.712 -2.201 1082 HB2 HIS 143 HB2 HIS 143 12.904 24.993 -3.184 1083 HB3 HIS 143 3HB HIS 143 14.171 23.942 -2.557 1084 HD1 HIS 143 HD1 HIS 143 13.574 24.581 -5.628 1085 HD2 HIS 143 HD2 HIS 143 12.535 21.127 -3.567 1086 HE1 HIS 143 HE1 HIS 143 13.324 22.800 -7.385 1087 H HIS 144 H HIS 144 13.875 21.591 -1.826 1088 HA HIS 144 HA HIS 144 15.259 22.099 0.571 1089 HB2 HIS 144 HB2 HIS 144 14.410 20.211 1.935 1090 HB3 HIS 144 3HB HIS 144 13.194 21.459 1.678 1091 HD1 HIS 144 HD1 HIS 144 10.980 20.593 1.021 1092 HD2 HIS 144 HD2 HIS 144 14.033 17.991 -0.060 1093 HE1 HIS 144 HE1 HIS 144 9.834 18.589 0.024 1094 H HIS 145 H HIS 145 16.329 19.848 1.329 1095 HA HIS 145 HA HIS 145 16.739 17.825 -0.563 1096 HB2 HIS 145 HB2 HIS 145 18.084 20.231 -1.219 1097 HB3 HIS 145 3HB HIS 145 19.308 19.095 -0.659 1098 HD1 HIS 145 HD1 HIS 145 18.104 16.493 -1.828 1099 HD2 HIS 145 HD2 HIS 145 18.471 20.066 -3.916 1100 HE1 HIS 145 HE1 HIS 145 18.123 15.852 -4.259 1101 H HIS 146 H HIS 146 18.537 16.385 0.019 1102 HA HIS 146 HA HIS 146 20.152 16.759 2.281 1103 HB2 HIS 146 HB2 HIS 146 17.551 16.427 3.064 1104 HB3 HIS 146 3HB HIS 146 18.147 14.770 3.108 1105 HD1 HIS 146 HD1 HIS 146 18.737 14.239 5.443 1106 HD2 HIS 146 HD2 HIS 146 19.849 18.108 4.421 1107 HE1 HIS 146 HE1 HIS 146 19.905 15.159 7.470 1108 H HIS 147 H HIS 147 21.068 14.623 3.080 1109 HA HIS 147 HA HIS 147 20.916 12.520 1.042 1110 HB2 HIS 147 HB2 HIS 147 22.888 14.146 0.695 1111 HB3 HIS 147 3HB HIS 147 23.576 13.407 2.138 1112 HD1 HIS 147 HD1 HIS 147 21.867 11.795 -0.858 1113 HD2 HIS 147 HD2 HIS 147 25.470 11.716 1.210 1114 HE1 HIS 147 HE1 HIS 147 23.230 9.986 -1.952 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -8.409 2.088 -17.536 2 HA MET 1 HA MET 1 -7.199 1.428 -19.353 3 HB2 MET 1 HB2 MET 1 -9.039 2.873 -20.534 4 HB3 MET 1 HB3 MET 1 -7.726 4.021 -20.756 5 HG2 MET 1 HG2 MET 1 -6.765 2.802 -22.361 6 HG3 MET 1 HG3 MET 1 -7.048 1.283 -21.512 7 HE1 MET 1 HE1 MET 1 -6.949 1.027 -24.163 8 HE2 MET 1 HE2 MET 1 -8.140 -0.246 -23.901 9 HE3 MET 1 HE3 MET 1 -8.410 0.970 -25.150 10 H ASP 2 H ASP 2 -6.794 4.719 -18.211 11 HA ASP 2 HA ASP 2 -3.924 4.331 -18.107 12 HB2 ASP 2 HB2 ASP 2 -5.102 6.644 -19.663 13 HB3 ASP 2 3HB ASP 2 -3.391 6.380 -19.335 14 H ASP 3 H ASP 3 -2.833 6.081 -16.917 15 HA ASP 3 HA ASP 3 -4.638 7.662 -15.226 16 HB2 ASP 3 HB2 ASP 3 -3.717 6.922 -13.220 17 HB3 ASP 3 3HB ASP 3 -3.794 5.440 -14.168 18 H ARG 4 H ARG 4 -2.810 8.841 -13.579 19 HA ARG 4 HA ARG 4 -0.581 9.871 -15.082 20 HB2 ARG 4 HB2 ARG 4 -1.287 12.117 -15.317 21 HB3 ARG 4 HB3 ARG 4 -2.612 11.136 -15.928 22 HG2 ARG 4 HG2 ARG 4 -3.596 11.365 -13.564 23 HG3 ARG 4 HG3 ARG 4 -2.444 12.689 -13.376 24 HD2 ARG 4 HD2 ARG 4 -4.293 12.553 -15.733 25 HD3 ARG 4 HD3 ARG 4 -4.821 13.237 -14.196 26 HE ARG 4 HE ARG 4 -2.364 14.383 -15.044 27 HH11 ARG 4 HH11 ARG 4 -5.796 14.443 -15.621 28 HH12 ARG 4 HH12 ARG 4 -5.802 16.075 -16.202 29 HH21 ARG 4 HH21 ARG 4 -2.358 16.532 -15.807 30 HH22 ARG 4 HH22 ARG 4 -3.845 17.262 -16.308 31 H THR 5 H THR 5 -1.175 8.567 -12.503 32 HA THR 5 HA THR 5 -0.955 10.384 -10.366 33 HB THR 5 HB THR 5 -0.064 8.413 -9.075 34 HG1 THR 5 HG1 THR 5 -0.694 6.786 -11.274 35 HG21 THR 5 HG21 THR 5 -2.443 7.381 -10.502 36 HG22 THR 5 HG22 THR 5 -2.588 8.988 -9.789 37 HG23 THR 5 HG23 THR 5 -2.166 7.608 -8.775 38 H GLU 6 H GLU 6 1.627 8.101 -11.227 39 HA GLU 6 HA GLU 6 3.890 8.319 -11.321 40 HB2 GLU 6 HB2 GLU 6 2.848 10.757 -12.460 41 HB3 GLU 6 HB3 GLU 6 4.352 11.077 -11.607 42 HG2 GLU 6 HG2 GLU 6 5.346 9.150 -12.903 43 HG3 GLU 6 HG3 GLU 6 3.885 9.184 -13.889 44 H TYR 7 H TYR 7 2.193 9.010 -8.840 45 HA TYR 7 HA TYR 7 4.459 9.997 -7.255 46 HB2 TYR 7 HB2 TYR 7 1.589 10.863 -6.852 47 HB3 TYR 7 3HB TYR 7 2.975 11.369 -5.892 48 HD1 TYR 7 HD1 TYR 7 4.997 12.089 -7.779 49 HD2 TYR 7 HD2 TYR 7 0.790 12.656 -8.062 50 HE1 TYR 7 HE1 TYR 7 5.361 13.987 -9.300 51 HE2 TYR 7 HE2 TYR 7 1.143 14.556 -9.584 52 HH TYR 7 HH TYR 7 2.791 16.107 -10.241 53 H ASP 8 H ASP 8 4.467 9.313 -5.051 54 HA ASP 8 HA ASP 8 3.885 6.653 -4.620 55 HB2 ASP 8 HB2 ASP 8 5.350 8.310 -3.250 56 HB3 ASP 8 3HB ASP 8 3.875 8.602 -2.335 57 H VAL 9 H VAL 9 2.305 5.562 -3.373 58 HA VAL 9 HA VAL 9 -0.337 6.772 -3.585 59 HB VAL 9 HB VAL 9 0.530 3.951 -2.952 60 HG11 VAL 9 HG11 VAL 9 -2.196 5.209 -2.987 61 HG12 VAL 9 HG12 VAL 9 -1.964 3.484 -3.278 62 HG13 VAL 9 HG13 VAL 9 -1.462 4.196 -1.743 63 HG21 VAL 9 HG21 VAL 9 0.658 4.987 -5.329 64 HG22 VAL 9 HG22 VAL 9 -0.063 3.392 -5.118 65 HG23 VAL 9 HG23 VAL 9 -1.096 4.809 -5.311 66 H TYR 10 H TYR 10 -1.720 7.113 -1.881 67 HA TYR 10 HA TYR 10 -0.528 7.634 0.653 68 HB2 TYR 10 HB2 TYR 10 -2.323 9.048 -0.116 69 HB3 TYR 10 3HB TYR 10 -3.411 7.672 -0.259 70 HD1 TYR 10 HD1 TYR 10 -1.106 8.570 2.526 71 HD2 TYR 10 HD2 TYR 10 -5.137 8.129 1.240 72 HE1 TYR 10 HE1 TYR 10 -1.876 8.946 4.831 73 HE2 TYR 10 HE2 TYR 10 -5.919 8.504 3.541 74 HH TYR 10 HH TYR 10 -3.694 8.687 6.230 75 H THR 11 H THR 11 0.284 5.490 1.135 76 HA THR 11 HA THR 11 -1.801 3.683 2.172 77 HB THR 11 HB THR 11 -0.095 1.864 1.972 78 HG1 THR 11 HG1 THR 11 1.332 3.890 0.558 79 HG21 THR 11 HG21 THR 11 -1.761 2.915 0.046 80 HG22 THR 11 HG22 THR 11 -0.932 1.361 -0.046 81 HG23 THR 11 HG23 THR 11 -0.216 2.790 -0.792 82 H ASP 12 H ASP 12 -0.843 2.206 3.960 83 HA ASP 12 HA ASP 12 -0.048 2.000 6.082 84 HB2 ASP 12 HB2 ASP 12 1.928 4.201 5.532 85 HB3 ASP 12 3HB ASP 12 2.110 2.789 6.571 86 H GLY 13 H GLY 13 -0.017 3.059 8.177 87 HA2 GLY 13 HA1 GLY 13 -0.274 5.199 9.386 88 HA3 GLY 13 HA2 GLY 13 -1.409 5.666 8.130 89 H SER 14 H SER 14 -1.718 5.433 11.074 90 HA SER 14 HA SER 14 -3.255 3.194 11.762 91 HB2 SER 14 HB2 SER 14 -2.296 5.342 13.129 92 HB3 SER 14 3HB SER 14 -4.012 5.738 13.057 93 HG SER 14 HG SER 14 -2.841 4.069 14.700 94 H TYR 15 H TYR 15 -5.649 4.011 12.746 95 HA TYR 15 HA TYR 15 -7.152 5.267 10.590 96 HB2 TYR 15 HB2 TYR 15 -7.027 2.806 10.084 97 HB3 TYR 15 3HB TYR 15 -7.899 2.513 11.585 98 HD1 TYR 15 HD1 TYR 15 -10.200 3.668 11.835 99 HD2 TYR 15 HD2 TYR 15 -8.203 3.179 8.109 100 HE1 TYR 15 HE1 TYR 15 -12.338 3.969 10.657 101 HE2 TYR 15 HE2 TYR 15 -10.335 3.480 6.920 102 HH TYR 15 HH TYR 15 -12.958 3.062 7.716 103 H VAL 16 H VAL 16 -7.970 3.213 13.384 104 HA VAL 16 HA VAL 16 -9.138 5.531 14.733 105 HB VAL 16 HB VAL 16 -10.998 4.567 13.479 106 HG11 VAL 16 HG11 VAL 16 -10.096 2.278 13.301 107 HG12 VAL 16 HG12 VAL 16 -10.462 2.023 15.009 108 HG13 VAL 16 HG13 VAL 16 -11.770 2.306 13.858 109 HG21 VAL 16 HG21 VAL 16 -11.144 3.997 16.438 110 HG22 VAL 16 HG22 VAL 16 -11.463 5.546 15.657 111 HG23 VAL 16 HG23 VAL 16 -12.530 4.172 15.361 112 H ASN 17 H ASN 17 -8.758 5.516 16.861 113 HA ASN 17 HA ASN 17 -7.780 4.879 18.828 114 HB2 ASN 17 HB2 ASN 17 -10.134 3.594 18.532 115 HB3 ASN 17 3HB ASN 17 -9.060 2.208 18.700 116 HD21 ASN 17 HD21 ASN 17 -10.926 4.376 20.334 117 HD22 ASN 17 HD22 ASN 17 -10.230 4.221 21.908 118 H GLY 18 H GLY 18 -7.215 2.207 19.744 119 HA2 GLY 18 HA1 GLY 18 -4.637 1.881 18.476 120 HA3 GLY 18 HA2 GLY 18 -5.233 1.002 19.876 121 H GLN 19 H GLN 19 -6.437 1.323 16.539 122 HA GLN 19 HA GLN 19 -6.440 -1.618 16.381 123 HB2 GLN 19 HB2 GLN 19 -8.487 0.319 15.845 124 HB3 GLN 19 HB3 GLN 19 -8.102 -0.542 14.360 125 HG2 GLN 19 HG2 GLN 19 -8.292 -2.649 15.911 126 HG3 GLN 19 HG3 GLN 19 -9.265 -1.560 16.898 127 HE21 GLN 19 HE21 GLN 19 -9.053 -3.326 13.937 128 HE22 GLN 19 HE22 GLN 19 -10.682 -3.073 13.422 129 H TYR 20 H TYR 20 -6.615 -2.209 13.853 130 HA TYR 20 HA TYR 20 -4.459 -0.741 12.483 131 HB2 TYR 20 HB2 TYR 20 -3.380 -2.710 11.855 132 HB3 TYR 20 3HB TYR 20 -3.880 -3.056 13.507 133 HD1 TYR 20 HD1 TYR 20 -5.710 -4.621 13.951 134 HD2 TYR 20 HD2 TYR 20 -4.361 -3.877 9.985 135 HE1 TYR 20 HE1 TYR 20 -6.890 -6.637 13.178 136 HE2 TYR 20 HE2 TYR 20 -5.539 -5.888 9.201 137 HH TYR 20 HH TYR 20 -6.345 -8.049 10.184 138 H ALA 21 H ALA 21 -4.785 -0.262 10.383 139 HA ALA 21 HA ALA 21 -6.873 -1.624 8.876 140 HB1 ALA 21 HB1 ALA 21 -7.015 1.327 8.732 141 HB2 ALA 21 HB2 ALA 21 -8.294 0.120 8.608 142 HB3 ALA 21 HB3 ALA 21 -7.654 0.566 10.190 143 H TRP 22 H TRP 22 -6.967 -0.630 6.577 144 HA TRP 22 HA TRP 22 -4.331 0.315 5.713 145 HB2 TRP 22 HB2 TRP 22 -4.376 -1.337 3.830 146 HB3 TRP 22 3HB TRP 22 -4.175 -2.067 5.420 147 HD1 TRP 22 HD1 TRP 22 -6.423 -2.091 2.411 148 HE1 TRP 22 HE1 TRP 22 -8.336 -3.774 2.773 149 HE3 TRP 22 HE3 TRP 22 -5.725 -3.051 7.383 150 HZ2 TRP 22 HZ2 TRP 22 -9.407 -5.307 4.888 151 HZ3 TRP 22 HZ3 TRP 22 -7.237 -4.638 8.500 152 HH2 TRP 22 HH2 TRP 22 -9.040 -5.741 7.277 153 H ALA 23 H ALA 23 -4.447 1.872 4.219 154 HA ALA 23 HA ALA 23 -6.926 2.145 2.658 155 HB1 ALA 23 HB1 ALA 23 -6.396 3.776 4.746 156 HB2 ALA 23 HB2 ALA 23 -5.627 4.667 3.432 157 HB3 ALA 23 HB3 ALA 23 -7.338 4.251 3.332 158 H TYR 24 H TYR 24 -6.643 3.634 0.768 159 HA TYR 24 HA TYR 24 -3.988 4.129 -0.193 160 HB2 TYR 24 HB2 TYR 24 -4.511 2.672 -2.308 161 HB3 TYR 24 3HB TYR 24 -3.822 1.922 -0.873 162 HD1 TYR 24 HD1 TYR 24 -7.308 2.886 -1.827 163 HD2 TYR 24 HD2 TYR 24 -4.654 -0.213 -0.619 164 HE1 TYR 24 HE1 TYR 24 -9.193 1.309 -1.751 165 HE2 TYR 24 HE2 TYR 24 -6.533 -1.799 -0.542 166 HH TYR 24 HH TYR 24 -9.420 -1.216 -0.223 167 H ALA 25 H ALA 25 -4.059 4.971 -2.491 168 HA ALA 25 HA ALA 25 -6.557 6.484 -2.878 169 HB1 ALA 25 HB1 ALA 25 -4.937 8.021 -4.221 170 HB2 ALA 25 HB2 ALA 25 -4.978 8.110 -2.460 171 HB3 ALA 25 HB3 ALA 25 -3.689 7.217 -3.268 172 H PHE 26 H PHE 26 -7.691 6.092 -4.660 173 HA PHE 26 HA PHE 26 -6.363 4.674 -6.874 174 HB2 PHE 26 HB2 PHE 26 -9.114 4.485 -5.713 175 HB3 PHE 26 3HB PHE 26 -8.880 4.115 -7.419 176 HD1 PHE 26 HD1 PHE 26 -6.817 3.401 -4.397 177 HD2 PHE 26 HD2 PHE 26 -8.995 1.839 -7.704 178 HE1 PHE 26 HE1 PHE 26 -6.088 1.129 -3.799 179 HE2 PHE 26 HE2 PHE 26 -8.270 -0.437 -7.111 180 HZ PHE 26 HZ PHE 26 -6.815 -0.794 -5.156 181 H VAL 27 H VAL 27 -6.507 5.457 -8.920 182 HA VAL 27 HA VAL 27 -8.290 7.698 -9.483 183 HB VAL 27 HB VAL 27 -5.297 7.848 -9.560 184 HG11 VAL 27 HG11 VAL 27 -7.216 9.057 -11.471 185 HG12 VAL 27 HG12 VAL 27 -5.895 10.072 -10.887 186 HG13 VAL 27 HG13 VAL 27 -5.543 8.553 -11.710 187 HG21 VAL 27 HG21 VAL 27 -6.693 8.747 -7.656 188 HG22 VAL 27 HG22 VAL 27 -5.597 9.901 -8.418 189 HG23 VAL 27 HG23 VAL 27 -7.320 9.939 -8.794 190 H LYS 28 H LYS 28 -9.180 7.498 -11.431 191 HA LYS 28 HA LYS 28 -7.804 5.832 -13.436 192 HB2 LYS 28 HB2 LYS 28 -10.685 5.859 -12.592 193 HB3 LYS 28 HB3 LYS 28 -10.240 5.347 -14.214 194 HG2 LYS 28 HG2 LYS 28 -8.579 4.031 -12.281 195 HG3 LYS 28 HG3 LYS 28 -10.284 3.806 -11.880 196 HD2 LYS 28 HD2 LYS 28 -9.341 3.417 -14.692 197 HD3 LYS 28 HD3 LYS 28 -9.105 2.140 -13.497 198 HE2 LYS 28 HE2 LYS 28 -11.800 3.352 -13.643 199 HE3 LYS 28 HE3 LYS 28 -11.308 2.348 -15.006 200 HZ1 LYS 28 HZ1 LYS 28 -11.456 1.550 -12.154 201 HZ2 LYS 28 HZ2 LYS 28 -10.749 0.593 -13.356 202 HZ3 LYS 28 HZ3 LYS 28 -12.397 0.966 -13.432 203 H ASP 29 H ASP 29 -7.654 6.632 -15.461 204 HA ASP 29 HA ASP 29 -7.805 8.068 -17.221 205 HB2 ASP 29 HB2 ASP 29 -10.436 8.076 -16.055 206 HB3 ASP 29 3HB ASP 29 -10.045 9.689 -16.650 207 H GLY 30 H GLY 30 -6.865 8.836 -14.334 208 HA2 GLY 30 HA1 GLY 30 -5.437 10.608 -13.769 209 HA3 GLY 30 HA2 GLY 30 -6.103 11.541 -15.101 210 H LYS 31 H LYS 31 -8.252 9.969 -12.886 211 HA LYS 31 HA LYS 31 -8.583 12.353 -11.256 212 HB2 LYS 31 HB2 LYS 31 -11.079 12.331 -11.724 213 HB3 LYS 31 HB3 LYS 31 -10.053 12.965 -13.004 214 HG2 LYS 31 HG2 LYS 31 -10.158 10.666 -14.048 215 HG3 LYS 31 HG3 LYS 31 -11.434 10.300 -12.883 216 HD2 LYS 31 HD2 LYS 31 -12.735 11.049 -14.592 217 HD3 LYS 31 HD3 LYS 31 -12.397 12.600 -13.821 218 HE2 LYS 31 HE2 LYS 31 -10.948 13.258 -15.469 219 HE3 LYS 31 HE3 LYS 31 -10.500 11.604 -15.884 220 HZ1 LYS 31 HZ1 LYS 31 -13.016 13.007 -16.595 221 HZ2 LYS 31 HZ2 LYS 31 -12.757 11.354 -16.849 222 HZ3 LYS 31 HZ3 LYS 31 -11.797 12.493 -17.651 223 H VAL 32 H VAL 32 -10.060 12.006 -9.441 224 HA VAL 32 HA VAL 32 -9.581 9.626 -8.086 225 HB VAL 32 HB VAL 32 -11.877 11.537 -7.631 226 HG11 VAL 32 HG11 VAL 32 -10.735 9.277 -6.047 227 HG12 VAL 32 HG12 VAL 32 -11.451 10.659 -5.215 228 HG13 VAL 32 HG13 VAL 32 -12.421 9.705 -6.338 229 HG21 VAL 32 HG21 VAL 32 -10.252 13.003 -7.174 230 HG22 VAL 32 HG22 VAL 32 -9.966 12.043 -5.723 231 HG23 VAL 32 HG23 VAL 32 -9.006 11.755 -7.173 232 H HIS 33 H HIS 33 -10.366 7.648 -8.328 233 HA HIS 33 HA HIS 33 -12.921 7.307 -9.744 234 HB2 HIS 33 HB2 HIS 33 -10.730 6.282 -10.643 235 HB3 HIS 33 3HB HIS 33 -10.885 5.132 -9.318 236 HD1 HIS 33 HD1 HIS 33 -12.044 3.055 -9.962 237 HD2 HIS 33 HD2 HIS 33 -13.301 6.286 -12.251 238 HE1 HIS 33 HE1 HIS 33 -13.698 2.112 -11.606 239 H TYR 34 H TYR 34 -11.027 6.095 -7.002 240 HA TYR 34 HA TYR 34 -13.554 5.305 -5.720 241 HB2 TYR 34 HB2 TYR 34 -10.968 3.749 -5.808 242 HB3 TYR 34 3HB TYR 34 -12.260 3.405 -4.664 243 HD1 TYR 34 HD1 TYR 34 -14.646 3.768 -6.375 244 HD2 TYR 34 HD2 TYR 34 -10.925 1.879 -7.205 245 HE1 TYR 34 HE1 TYR 34 -15.750 2.341 -8.046 246 HE2 TYR 34 HE2 TYR 34 -12.018 0.447 -8.879 247 HH TYR 34 HH TYR 34 -14.897 -0.286 -9.074 248 H GLU 35 H GLU 35 -12.820 4.645 -3.270 249 HA GLU 35 HA GLU 35 -10.806 6.193 -2.057 250 HB2 GLU 35 HB2 GLU 35 -13.000 7.733 -2.809 251 HB3 GLU 35 HB3 GLU 35 -13.260 7.422 -1.098 252 HG2 GLU 35 HG2 GLU 35 -10.701 8.120 -0.982 253 HG3 GLU 35 HG3 GLU 35 -11.148 8.997 -2.445 254 H ASP 36 H ASP 36 -11.845 6.687 0.425 255 HA ASP 36 HA ASP 36 -12.396 5.705 2.402 256 HB2 ASP 36 HB2 ASP 36 -14.516 5.189 0.903 257 HB3 ASP 36 3HB ASP 36 -13.929 3.533 1.039 258 H ALA 37 H ALA 37 -11.840 3.916 3.752 259 HA ALA 37 HA ALA 37 -10.040 1.977 2.452 260 HB1 ALA 37 HB1 ALA 37 -9.192 3.911 4.108 261 HB2 ALA 37 HB2 ALA 37 -9.552 2.647 5.285 262 HB3 ALA 37 HB3 ALA 37 -8.412 2.334 3.977 263 H ASP 38 H ASP 38 -9.503 0.328 4.545 264 HA ASP 38 HA ASP 38 -12.066 -0.560 5.637 265 HB2 ASP 38 HB2 ASP 38 -10.251 -2.515 4.231 266 HB3 ASP 38 3HB ASP 38 -11.901 -2.770 4.790 267 H VAL 39 H VAL 39 -11.914 -1.525 7.604 268 HA VAL 39 HA VAL 39 -9.231 -1.641 8.787 269 HB VAL 39 HB VAL 39 -11.862 -1.718 10.259 270 HG11 VAL 39 HG11 VAL 39 -10.405 -0.878 12.127 271 HG12 VAL 39 HG12 VAL 39 -10.079 -2.532 11.606 272 HG13 VAL 39 HG13 VAL 39 -9.013 -1.221 11.099 273 HG21 VAL 39 HG21 VAL 39 -11.803 0.344 9.016 274 HG22 VAL 39 HG22 VAL 39 -11.474 0.690 10.714 275 HG23 VAL 39 HG23 VAL 39 -10.152 0.662 9.548 276 H GLY 40 H GLY 40 -8.665 -3.402 10.190 277 HA2 GLY 40 HA1 GLY 40 -10.152 -5.885 9.591 278 HA3 GLY 40 HA2 GLY 40 -8.397 -5.819 9.602 279 H LYS 41 H LYS 41 -9.801 -7.644 11.145 280 HA LYS 41 HA LYS 41 -9.021 -6.764 13.825 281 HB2 LYS 41 HB2 LYS 41 -11.074 -7.870 14.758 282 HB3 LYS 41 HB3 LYS 41 -11.380 -6.389 13.861 283 HG2 LYS 41 HG2 LYS 41 -11.526 -8.928 12.349 284 HG3 LYS 41 HG3 LYS 41 -12.808 -8.609 13.521 285 HD2 LYS 41 HD2 LYS 41 -12.224 -6.262 11.936 286 HD3 LYS 41 HD3 LYS 41 -12.635 -7.641 10.912 287 HE2 LYS 41 HE2 LYS 41 -14.733 -7.917 11.959 288 HE3 LYS 41 HE3 LYS 41 -14.291 -6.855 13.295 289 HZ1 LYS 41 HZ1 LYS 41 -14.504 -5.903 10.498 290 HZ2 LYS 41 HZ2 LYS 41 -14.421 -4.973 11.908 291 HZ3 LYS 41 HZ3 LYS 41 -15.810 -5.878 11.573 292 H ASN 42 H ASN 42 -7.458 -8.337 12.280 293 HA ASN 42 HA ASN 42 -7.991 -11.123 12.927 294 HB2 ASN 42 HB2 ASN 42 -5.760 -9.798 11.375 295 HB3 ASN 42 3HB ASN 42 -5.877 -11.535 11.642 296 HD21 ASN 42 HD21 ASN 42 -8.454 -12.103 11.264 297 HD22 ASN 42 HD22 ASN 42 -8.951 -11.704 9.658 298 HA PRO 43 HA PRO 43 -5.464 -11.352 16.510 299 HB2 PRO 43 HB2 PRO 43 -4.452 -13.860 16.284 300 HB3 PRO 43 HB3 PRO 43 -6.140 -13.540 16.702 301 HG2 PRO 43 HG2 PRO 43 -4.950 -14.276 14.055 302 HG3 PRO 43 HG3 PRO 43 -6.435 -14.873 14.819 303 HD2 PRO 43 HD2 PRO 43 -6.453 -12.982 12.882 304 HD3 PRO 43 HD3 PRO 43 -7.654 -13.022 14.188 305 H ALA 44 H ALA 44 -3.835 -12.731 13.649 306 HA ALA 44 HA ALA 44 -1.213 -12.245 14.626 307 HB1 ALA 44 HB1 ALA 44 -2.106 -12.692 11.780 308 HB2 ALA 44 HB2 ALA 44 -0.464 -12.856 12.404 309 HB3 ALA 44 HB3 ALA 44 -1.727 -13.963 12.943 310 H ALA 45 H ALA 45 -3.543 -10.295 12.990 311 HA ALA 45 HA ALA 45 -1.599 -8.337 12.094 312 HB1 ALA 45 HB1 ALA 45 -3.539 -8.781 10.699 313 HB2 ALA 45 HB2 ALA 45 -4.614 -8.290 12.009 314 HB3 ALA 45 HB3 ALA 45 -3.546 -7.107 11.254 315 H ALA 46 H ALA 46 -4.344 -8.394 14.368 316 HA ALA 46 HA ALA 46 -3.931 -5.830 15.430 317 HB1 ALA 46 HB1 ALA 46 -6.022 -7.010 15.736 318 HB2 ALA 46 HB2 ALA 46 -5.215 -8.242 16.705 319 HB3 ALA 46 HB3 ALA 46 -5.336 -6.589 17.304 320 H THR 47 H THR 47 -2.675 -8.989 16.391 321 HA THR 47 HA THR 47 -1.487 -8.270 18.810 322 HB THR 47 HB THR 47 -1.732 -10.611 17.961 323 HG1 THR 47 HG1 THR 47 -0.196 -11.136 19.334 324 HG21 THR 47 HG21 THR 47 -0.612 -9.852 15.695 325 HG22 THR 47 HG22 THR 47 -0.418 -11.498 16.298 326 HG23 THR 47 HG23 THR 47 0.868 -10.315 16.534 327 H MET 48 H MET 48 -0.588 -7.512 15.575 328 HA MET 48 HA MET 48 2.136 -6.790 16.327 329 HB2 MET 48 HB2 MET 48 0.651 -7.019 13.737 330 HB3 MET 48 HB3 MET 48 2.108 -6.036 13.811 331 HG2 MET 48 HG2 MET 48 2.667 -8.513 15.066 332 HG3 MET 48 HG3 MET 48 1.870 -8.846 13.530 333 HE1 MET 48 HE1 MET 48 5.249 -7.093 15.107 334 HE2 MET 48 HE2 MET 48 5.440 -5.986 13.748 335 HE3 MET 48 HE3 MET 48 3.969 -5.944 14.722 336 H ARG 49 H ARG 49 -0.512 -5.393 17.106 337 HA ARG 49 HA ARG 49 -1.088 -3.261 17.667 338 HB2 ARG 49 HB2 ARG 49 1.490 -2.302 16.439 339 HB3 ARG 49 HB3 ARG 49 0.549 -1.550 17.720 340 HG2 ARG 49 HG2 ARG 49 1.096 -3.825 18.956 341 HG3 ARG 49 HG3 ARG 49 2.465 -3.807 17.843 342 HD2 ARG 49 HD2 ARG 49 3.333 -1.852 18.742 343 HD3 ARG 49 HD3 ARG 49 1.786 -1.369 19.437 344 HE ARG 49 HE ARG 49 2.612 -3.742 20.670 345 HH11 ARG 49 HH11 ARG 49 3.537 -0.392 20.463 346 HH12 ARG 49 HH12 ARG 49 4.251 -0.358 22.042 347 HH21 ARG 49 HH21 ARG 49 3.549 -3.709 22.749 348 HH22 ARG 49 HH22 ARG 49 4.258 -2.244 23.341 349 H ASN 50 H ASN 50 0.841 -2.629 14.744 350 HA ASN 50 HA ASN 50 -1.453 -2.361 13.061 351 HB2 ASN 50 HB2 ASN 50 -0.969 0.117 12.594 352 HB3 ASN 50 3HB ASN 50 -1.837 -0.270 14.077 353 HD21 ASN 50 HD21 ASN 50 0.803 1.308 12.735 354 HD22 ASN 50 HD22 ASN 50 1.639 1.693 14.198 355 H VAL 51 H VAL 51 1.305 -3.548 13.255 356 HA VAL 51 HA VAL 51 2.887 -2.292 11.230 357 HB VAL 51 HB VAL 51 3.083 -5.073 12.393 358 HG11 VAL 51 HG11 VAL 51 5.574 -4.466 11.541 359 HG12 VAL 51 HG12 VAL 51 4.407 -5.396 10.601 360 HG13 VAL 51 HG13 VAL 51 4.604 -3.668 10.304 361 HG21 VAL 51 HG21 VAL 51 3.743 -3.959 14.217 362 HG22 VAL 51 HG22 VAL 51 5.216 -3.609 13.311 363 HG23 VAL 51 HG23 VAL 51 3.899 -2.437 13.339 364 H ALA 52 H ALA 52 0.758 -5.125 11.334 365 HA ALA 52 HA ALA 52 1.188 -5.798 8.581 366 HB1 ALA 52 HB1 ALA 52 0.272 -7.716 9.211 367 HB2 ALA 52 HB2 ALA 52 0.013 -7.036 10.818 368 HB3 ALA 52 HB3 ALA 52 -1.248 -6.905 9.592 369 H GLY 53 H GLY 53 -0.921 -3.667 10.297 370 HA2 GLY 53 HA1 GLY 53 -2.957 -3.519 8.283 371 HA3 GLY 53 HA2 GLY 53 -2.754 -2.425 9.642 372 H GLU 54 H GLU 54 -0.282 -1.372 9.233 373 HA GLU 54 HA GLU 54 -0.744 0.641 7.365 374 HB2 GLU 54 HB2 GLU 54 1.690 1.165 7.636 375 HB3 GLU 54 HB3 GLU 54 0.807 1.018 9.149 376 HG2 GLU 54 HG2 GLU 54 1.651 -1.329 9.315 377 HG3 GLU 54 HG3 GLU 54 2.676 -0.989 7.922 378 H ILE 55 H ILE 55 1.287 -2.259 7.098 379 HA ILE 55 HA ILE 55 2.080 -1.697 4.408 380 HB ILE 55 HB ILE 55 2.357 -4.083 6.204 381 HG12 ILE 55 HG12 ILE 55 4.718 -3.099 4.836 382 HG13 ILE 55 HG13 ILE 55 3.893 -1.804 5.695 383 HG21 ILE 55 HG21 ILE 55 1.973 -5.194 4.187 384 HG22 ILE 55 HG22 ILE 55 2.814 -3.965 3.244 385 HG23 ILE 55 HG23 ILE 55 3.730 -5.065 4.273 386 HD11 ILE 55 HD11 ILE 55 4.376 -4.364 7.118 387 HD12 ILE 55 HD12 ILE 55 5.728 -3.260 6.862 388 HD13 ILE 55 HD13 ILE 55 4.300 -2.717 7.743 389 H ALA 56 H ALA 56 -0.526 -3.462 5.917 390 HA ALA 56 HA ALA 56 -1.392 -5.172 3.974 391 HB1 ALA 56 HB1 ALA 56 -3.732 -3.946 4.906 392 HB2 ALA 56 HB2 ALA 56 -2.963 -5.409 5.523 393 HB3 ALA 56 HB3 ALA 56 -2.569 -3.841 6.229 394 H ALA 57 H ALA 57 -1.648 -1.675 4.007 395 HA ALA 57 HA ALA 57 -3.530 -1.239 2.030 396 HB1 ALA 57 HB1 ALA 57 -2.215 0.873 1.556 397 HB2 ALA 57 HB2 ALA 57 -2.725 0.627 3.228 398 HB3 ALA 57 HB3 ALA 57 -1.056 0.306 2.758 399 H ALA 58 H ALA 58 -0.002 -1.540 1.594 400 HA ALA 58 HA ALA 58 0.077 -1.346 -1.171 401 HB1 ALA 58 HB1 ALA 58 2.130 -1.258 -0.050 402 HB2 ALA 58 HB2 ALA 58 1.842 -2.786 0.783 403 HB3 ALA 58 HB3 ALA 58 2.180 -2.775 -0.949 404 H LEU 59 H LEU 59 -0.517 -4.173 0.863 405 HA LEU 59 HA LEU 59 -0.400 -6.183 -1.033 406 HB2 LEU 59 HB2 LEU 59 -2.420 -6.022 1.195 407 HB3 LEU 59 3HB LEU 59 -1.811 -7.479 0.414 408 HG LEU 59 HG LEU 59 -0.408 -5.676 2.366 409 HD11 LEU 59 HD11 LEU 59 0.056 -8.193 3.158 410 HD12 LEU 59 HD12 LEU 59 -1.488 -8.423 2.337 411 HD13 LEU 59 HD13 LEU 59 -1.357 -7.265 3.661 412 HD21 LEU 59 HD21 LEU 59 1.140 -6.081 0.527 413 HD22 LEU 59 HD22 LEU 59 0.832 -7.815 0.636 414 HD23 LEU 59 HD23 LEU 59 1.626 -6.975 1.970 415 H TYR 60 H TYR 60 -3.452 -4.732 0.110 416 HA TYR 60 HA TYR 60 -4.964 -5.710 -2.066 417 HB2 TYR 60 HB2 TYR 60 -5.533 -3.473 -0.114 418 HB3 TYR 60 3HB TYR 60 -6.709 -4.108 -1.259 419 HD1 TYR 60 HD1 TYR 60 -4.569 -5.067 1.622 420 HD2 TYR 60 HD2 TYR 60 -7.987 -6.005 -0.732 421 HE1 TYR 60 HE1 TYR 60 -5.207 -6.799 3.249 422 HE2 TYR 60 HE2 TYR 60 -8.635 -7.738 0.889 423 HH TYR 60 HH TYR 60 -7.461 -9.173 2.615 424 H ALA 61 H ALA 61 -2.923 -2.975 -1.705 425 HA ALA 61 HA ALA 61 -4.075 -1.253 -3.624 426 HB1 ALA 61 HB1 ALA 61 -1.221 -1.482 -2.678 427 HB2 ALA 61 HB2 ALA 61 -1.857 -0.161 -3.659 428 HB3 ALA 61 HB3 ALA 61 -2.470 -0.422 -2.026 429 H VAL 62 H VAL 62 -1.475 -3.666 -3.870 430 HA VAL 62 HA VAL 62 -1.061 -3.263 -6.662 431 HB VAL 62 HB VAL 62 -0.285 -5.609 -4.923 432 HG11 VAL 62 HG11 VAL 62 0.600 -4.815 -7.693 433 HG12 VAL 62 HG12 VAL 62 1.386 -6.049 -6.706 434 HG13 VAL 62 HG13 VAL 62 -0.282 -6.271 -7.234 435 HG21 VAL 62 HG21 VAL 62 1.782 -4.569 -4.570 436 HG22 VAL 62 HG22 VAL 62 1.518 -3.400 -5.863 437 HG23 VAL 62 HG23 VAL 62 0.603 -3.273 -4.361 438 H LYS 63 H LYS 63 -2.810 -5.692 -4.759 439 HA LYS 63 HA LYS 63 -3.573 -7.430 -6.757 440 HB2 LYS 63 HB2 LYS 63 -5.244 -6.534 -4.401 441 HB3 LYS 63 HB3 LYS 63 -5.501 -7.998 -5.342 442 HG2 LYS 63 HG2 LYS 63 -3.662 -9.058 -4.448 443 HG3 LYS 63 HG3 LYS 63 -2.868 -7.542 -4.016 444 HD2 LYS 63 HD2 LYS 63 -3.865 -7.467 -2.010 445 HD3 LYS 63 HD3 LYS 63 -5.432 -7.936 -2.674 446 HE2 LYS 63 HE2 LYS 63 -5.104 -10.130 -2.240 447 HE3 LYS 63 HE3 LYS 63 -3.381 -10.052 -2.602 448 HZ1 LYS 63 HZ1 LYS 63 -4.158 -8.622 -0.220 449 HZ2 LYS 63 HZ2 LYS 63 -2.873 -9.693 -0.468 450 HZ3 LYS 63 HZ3 LYS 63 -4.419 -10.292 -0.134 451 H LYS 64 H LYS 64 -5.236 -4.469 -5.707 452 HA LYS 64 HA LYS 64 -7.265 -4.693 -7.723 453 HB2 LYS 64 HB2 LYS 64 -6.799 -3.103 -5.398 454 HB3 LYS 64 HB3 LYS 64 -7.082 -2.022 -6.756 455 HG2 LYS 64 HG2 LYS 64 -9.192 -2.389 -5.821 456 HG3 LYS 64 HG3 LYS 64 -9.142 -3.427 -7.247 457 HD2 LYS 64 HD2 LYS 64 -9.265 -5.312 -6.026 458 HD3 LYS 64 HD3 LYS 64 -8.168 -4.696 -4.788 459 HE2 LYS 64 HE2 LYS 64 -9.859 -3.776 -3.554 460 HE3 LYS 64 HE3 LYS 64 -10.892 -3.517 -4.958 461 HZ1 LYS 64 HZ1 LYS 64 -10.796 -6.172 -4.900 462 HZ2 LYS 64 HZ2 LYS 64 -11.983 -5.269 -4.102 463 HZ3 LYS 64 HZ3 LYS 64 -10.644 -5.847 -3.246 464 H ALA 65 H ALA 65 -4.159 -3.135 -7.440 465 HA ALA 65 HA ALA 65 -4.294 -1.200 -9.408 466 HB1 ALA 65 HB1 ALA 65 -1.877 -1.437 -9.623 467 HB2 ALA 65 HB2 ALA 65 -2.369 -1.493 -7.930 468 HB3 ALA 65 HB3 ALA 65 -1.944 -2.981 -8.775 469 H SER 66 H SER 66 -3.978 -4.676 -9.732 470 HA SER 66 HA SER 66 -3.330 -4.643 -12.515 471 HB2 SER 66 HB2 SER 66 -2.653 -6.598 -11.406 472 HB3 SER 66 3HB SER 66 -4.203 -6.780 -10.586 473 HG SER 66 HG SER 66 -3.759 -8.211 -12.447 474 H GLN 67 H GLN 67 -6.271 -4.618 -10.660 475 HA GLN 67 HA GLN 67 -8.016 -5.440 -12.752 476 HB2 GLN 67 HB2 GLN 67 -8.460 -3.997 -10.145 477 HB3 GLN 67 HB3 GLN 67 -9.777 -4.343 -11.258 478 HG2 GLN 67 HG2 GLN 67 -8.869 -6.786 -11.110 479 HG3 GLN 67 HG3 GLN 67 -8.149 -6.211 -9.609 480 HE21 GLN 67 HE21 GLN 67 -11.254 -5.612 -11.216 481 HE22 GLN 67 HE22 GLN 67 -12.234 -6.060 -9.866 482 H LEU 68 H LEU 68 -6.863 -2.318 -11.592 483 HA LEU 68 HA LEU 68 -8.503 -0.877 -13.505 484 HB2 LEU 68 HB2 LEU 68 -6.335 0.287 -11.784 485 HB3 LEU 68 3HB LEU 68 -7.734 1.101 -12.483 486 HG LEU 68 HG LEU 68 -8.768 -0.885 -10.790 487 HD11 LEU 68 HD11 LEU 68 -6.218 -0.512 -9.943 488 HD12 LEU 68 HD12 LEU 68 -7.563 -0.979 -8.902 489 HD13 LEU 68 HD13 LEU 68 -7.075 0.712 -9.006 490 HD21 LEU 68 HD21 LEU 68 -9.719 1.330 -11.283 491 HD22 LEU 68 HD22 LEU 68 -8.450 2.077 -10.314 492 HD23 LEU 68 HD23 LEU 68 -9.630 1.010 -9.551 493 H GLY 69 H GLY 69 -5.848 -2.662 -13.859 494 HA2 GLY 69 HA1 GLY 69 -4.116 -2.729 -15.364 495 HA3 GLY 69 HA2 GLY 69 -5.140 -1.710 -16.365 496 H VAL 70 H VAL 70 -4.109 -0.598 -13.243 497 HA VAL 70 HA VAL 70 -2.290 1.302 -14.575 498 HB VAL 70 HB VAL 70 -2.803 2.933 -12.903 499 HG11 VAL 70 HG11 VAL 70 -4.850 3.531 -13.677 500 HG12 VAL 70 HG12 VAL 70 -4.536 2.205 -14.799 501 HG13 VAL 70 HG13 VAL 70 -5.550 1.941 -13.380 502 HG21 VAL 70 HG21 VAL 70 -3.668 0.625 -11.399 503 HG22 VAL 70 HG22 VAL 70 -3.246 2.241 -10.833 504 HG23 VAL 70 HG23 VAL 70 -4.889 1.899 -11.375 505 H LYS 71 H LYS 71 -0.343 1.850 -13.550 506 HA LYS 71 HA LYS 71 0.597 -0.170 -11.636 507 HB2 LYS 71 HB2 LYS 71 2.032 1.575 -13.629 508 HB3 LYS 71 HB3 LYS 71 2.890 0.724 -12.351 509 HG2 LYS 71 HG2 LYS 71 3.070 -0.678 -14.199 510 HG3 LYS 71 HG3 LYS 71 1.764 -1.387 -13.247 511 HD2 LYS 71 HD2 LYS 71 0.250 -1.024 -14.859 512 HD3 LYS 71 HD3 LYS 71 0.842 0.610 -15.165 513 HE2 LYS 71 HE2 LYS 71 2.820 -0.556 -16.327 514 HE3 LYS 71 HE3 LYS 71 1.794 -1.989 -16.322 515 HZ1 LYS 71 HZ1 LYS 71 0.118 -0.751 -17.543 516 HZ2 LYS 71 HZ2 LYS 71 1.583 -0.758 -18.388 517 HZ3 LYS 71 HZ3 LYS 71 1.099 0.627 -17.545 518 H ILE 72 H ILE 72 1.802 0.436 -9.806 519 HA ILE 72 HA ILE 72 1.199 3.146 -8.861 520 HB ILE 72 HB ILE 72 1.561 2.333 -6.623 521 HG12 ILE 72 HG12 ILE 72 2.430 -0.230 -7.970 522 HG13 ILE 72 HG13 ILE 72 3.417 0.831 -6.971 523 HG21 ILE 72 HG21 ILE 72 -0.437 1.314 -6.467 524 HG22 ILE 72 HG22 ILE 72 -0.521 1.621 -8.201 525 HG23 ILE 72 HG23 ILE 72 0.005 0.046 -7.609 526 HD11 ILE 72 HD11 ILE 72 2.883 -0.989 -5.609 527 HD12 ILE 72 HD12 ILE 72 1.794 0.298 -5.091 528 HD13 ILE 72 HD13 ILE 72 1.199 -0.997 -6.128 529 H ARG 73 H ARG 73 2.954 3.805 -7.084 530 HA ARG 73 HA ARG 73 5.229 4.606 -8.454 531 HB2 ARG 73 HB2 ARG 73 4.165 4.932 -5.855 532 HB3 ARG 73 HB3 ARG 73 5.823 4.384 -5.654 533 HG2 ARG 73 HG2 ARG 73 4.911 6.782 -7.228 534 HG3 ARG 73 HG3 ARG 73 5.735 6.795 -5.668 535 HD2 ARG 73 HD2 ARG 73 7.670 5.676 -6.733 536 HD3 ARG 73 HD3 ARG 73 6.847 5.798 -8.288 537 HE ARG 73 HE ARG 73 7.046 8.341 -7.053 538 HH11 ARG 73 HH11 ARG 73 8.920 5.950 -8.754 539 HH12 ARG 73 HH12 ARG 73 10.053 7.099 -9.388 540 HH21 ARG 73 HH21 ARG 73 8.531 9.863 -7.880 541 HH22 ARG 73 HH22 ARG 73 9.830 9.324 -8.889 542 H ILE 74 H ILE 74 6.986 3.563 -9.099 543 HA ILE 74 HA ILE 74 7.861 1.192 -7.590 544 HB ILE 74 HB ILE 74 8.401 0.009 -9.603 545 HG12 ILE 74 HG12 ILE 74 7.202 1.522 -11.664 546 HG13 ILE 74 HG13 ILE 74 8.243 2.631 -10.779 547 HG21 ILE 74 HG21 ILE 74 6.305 -0.704 -10.032 548 HG22 ILE 74 HG22 ILE 74 5.887 0.400 -8.723 549 HG23 ILE 74 HG23 ILE 74 5.714 0.916 -10.401 550 HD11 ILE 74 HD11 ILE 74 8.928 0.354 -12.501 551 HD12 ILE 74 HD12 ILE 74 9.804 1.853 -12.186 552 HD13 ILE 74 HD13 ILE 74 9.893 0.520 -11.034 553 H LEU 75 H LEU 75 10.130 0.546 -8.878 554 HA LEU 75 HA LEU 75 12.349 1.041 -8.947 555 HB2 LEU 75 HB2 LEU 75 11.172 2.545 -10.818 556 HB3 LEU 75 3HB LEU 75 11.836 3.827 -9.808 557 HG LEU 75 HG LEU 75 13.388 3.421 -11.559 558 HD11 LEU 75 HD11 LEU 75 14.339 2.077 -9.034 559 HD12 LEU 75 HD12 LEU 75 14.394 3.804 -9.387 560 HD13 LEU 75 HD13 LEU 75 15.377 2.682 -10.326 561 HD21 LEU 75 HD21 LEU 75 13.353 0.509 -10.774 562 HD22 LEU 75 HD22 LEU 75 14.316 1.241 -12.057 563 HD23 LEU 75 HD23 LEU 75 12.558 1.191 -12.193 564 H HIS 76 H HIS 76 11.412 1.253 -6.444 565 HA HIS 76 HA HIS 76 11.846 2.121 -4.386 566 HB2 HIS 76 HB2 HIS 76 14.196 1.991 -5.413 567 HB3 HIS 76 3HB HIS 76 14.056 3.730 -5.655 568 HD1 HIS 76 HD1 HIS 76 13.630 5.139 -3.371 569 HD2 HIS 76 HD2 HIS 76 15.075 1.267 -2.944 570 HE1 HIS 76 HE1 HIS 76 14.564 5.023 -1.040 571 H ASP 77 H ASP 77 10.049 3.338 -3.993 572 HA ASP 77 HA ASP 77 9.853 6.036 -5.052 573 HB2 ASP 77 HB2 ASP 77 7.642 6.076 -4.079 574 HB3 ASP 77 3HB ASP 77 7.860 4.544 -4.923 575 H TYR 78 H TYR 78 11.657 4.834 -2.721 576 HA TYR 78 HA TYR 78 12.552 5.566 -0.758 577 HB2 TYR 78 HB2 TYR 78 12.695 7.598 -2.543 578 HB3 TYR 78 3HB TYR 78 11.786 8.380 -1.255 579 HD1 TYR 78 HD1 TYR 78 12.984 7.150 1.142 580 HD2 TYR 78 HD2 TYR 78 14.819 8.551 -2.432 581 HE1 TYR 78 HE1 TYR 78 15.073 7.551 2.378 582 HE2 TYR 78 HE2 TYR 78 16.913 8.955 -1.207 583 HH TYR 78 HH TYR 78 18.037 8.362 0.762 584 H ALA 79 H ALA 79 9.822 4.754 -0.625 585 HA ALA 79 HA ALA 79 8.629 6.623 1.292 586 HB1 ALA 79 HB1 ALA 79 7.309 4.133 0.271 587 HB2 ALA 79 HB2 ALA 79 6.568 5.603 0.902 588 HB3 ALA 79 HB3 ALA 79 7.340 5.616 -0.684 589 H GLY 80 H GLY 80 7.116 4.963 2.834 590 HA2 GLY 80 HA1 GLY 80 8.890 4.146 4.832 591 HA3 GLY 80 HA2 GLY 80 7.198 3.680 4.735 592 H ILE 81 H ILE 81 7.847 2.485 2.000 593 HA ILE 81 HA ILE 81 8.421 -0.156 2.996 594 HB ILE 81 HB ILE 81 8.168 0.598 0.094 595 HG12 ILE 81 HG12 ILE 81 6.251 1.588 1.176 596 HG13 ILE 81 HG13 ILE 81 5.729 0.124 0.350 597 HG21 ILE 81 HG21 ILE 81 7.016 -1.889 1.158 598 HG22 ILE 81 HG22 ILE 81 7.946 -1.605 -0.311 599 HG23 ILE 81 HG23 ILE 81 8.774 -1.774 1.237 600 HD11 ILE 81 HD11 ILE 81 6.290 0.373 3.296 601 HD12 ILE 81 HD12 ILE 81 4.696 0.338 2.541 602 HD13 ILE 81 HD13 ILE 81 5.741 -1.081 2.463 603 H ALA 82 H ALA 82 9.989 2.132 0.778 604 HA ALA 82 HA ALA 82 12.237 0.457 0.268 605 HB1 ALA 82 HB1 ALA 82 12.682 1.965 -1.303 606 HB2 ALA 82 HB2 ALA 82 11.219 2.814 -0.800 607 HB3 ALA 82 HB3 ALA 82 12.782 3.267 -0.118 608 H PHE 83 H PHE 83 11.322 2.216 2.964 609 HA PHE 83 HA PHE 83 13.911 3.090 3.828 610 HB2 PHE 83 HB2 PHE 83 12.044 4.305 4.674 611 HB3 PHE 83 3HB PHE 83 11.249 2.834 5.225 612 HD1 PHE 83 HD1 PHE 83 14.738 4.047 5.691 613 HD2 PHE 83 HD2 PHE 83 11.040 2.992 7.515 614 HE1 PHE 83 HE1 PHE 83 15.755 4.338 7.914 615 HE2 PHE 83 HE2 PHE 83 12.050 3.282 9.739 616 HZ PHE 83 HZ PHE 83 14.410 3.956 9.941 617 H TRP 84 H TRP 84 11.703 0.533 4.970 618 HA TRP 84 HA TRP 84 13.789 -0.676 6.553 619 HB2 TRP 84 HB2 TRP 84 12.074 -1.596 7.659 620 HB3 TRP 84 3HB TRP 84 10.991 -0.705 6.593 621 HD1 TRP 84 HD1 TRP 84 12.660 -4.176 6.885 622 HE1 TRP 84 HE1 TRP 84 11.200 -5.876 5.619 623 HE3 TRP 84 HE3 TRP 84 9.232 -0.960 4.871 624 HZ2 TRP 84 HZ2 TRP 84 8.900 -5.857 3.982 625 HZ3 TRP 84 HZ3 TRP 84 7.435 -1.882 3.466 626 HH2 TRP 84 HH2 TRP 84 7.274 -4.279 3.032 627 H ALA 85 H ALA 85 12.619 -0.947 3.352 628 HA ALA 85 HA ALA 85 12.996 -3.575 2.660 629 HB1 ALA 85 HB1 ALA 85 13.351 -1.009 1.194 630 HB2 ALA 85 HB2 ALA 85 13.893 -2.505 0.431 631 HB3 ALA 85 HB3 ALA 85 12.207 -2.322 0.914 632 H THR 86 H THR 86 15.406 -1.194 3.458 633 HA THR 86 HA THR 86 17.661 -2.467 2.340 634 HB THR 86 HB THR 86 19.008 -1.056 3.754 635 HG1 THR 86 HG1 THR 86 18.273 -0.193 5.596 636 HG21 THR 86 HG21 THR 86 17.531 -0.072 1.870 637 HG22 THR 86 HG22 THR 86 18.306 1.035 3.003 638 HG23 THR 86 HG23 THR 86 16.599 0.637 3.188 639 H GLY 87 H GLY 87 16.121 -2.718 5.520 640 HA2 GLY 87 HA1 GLY 87 16.154 -4.506 6.993 641 HA3 GLY 87 HA2 GLY 87 17.218 -5.357 5.883 642 H GLU 88 H GLU 88 17.008 -3.401 8.703 643 HA GLU 88 HA GLU 88 19.927 -3.180 8.879 644 HB2 GLU 88 HB2 GLU 88 17.656 -1.806 10.281 645 HB3 GLU 88 HB3 GLU 88 19.268 -1.802 10.982 646 HG2 GLU 88 HG2 GLU 88 18.457 -0.695 8.306 647 HG3 GLU 88 HG3 GLU 88 18.940 0.218 9.735 648 H TRP 89 H TRP 89 17.252 -3.923 11.124 649 HA TRP 89 HA TRP 89 19.057 -5.718 12.576 650 HB2 TRP 89 HB2 TRP 89 16.402 -4.488 13.337 651 HB3 TRP 89 3HB TRP 89 17.257 -5.663 14.333 652 HD1 TRP 89 HD1 TRP 89 20.207 -4.329 13.757 653 HE1 TRP 89 HE1 TRP 89 20.800 -2.176 15.036 654 HE3 TRP 89 HE3 TRP 89 15.490 -2.793 14.994 655 HZ2 TRP 89 HZ2 TRP 89 19.448 -0.101 16.390 656 HZ3 TRP 89 HZ3 TRP 89 15.227 -0.714 16.284 657 HH2 TRP 89 HH2 TRP 89 17.165 0.602 16.966 658 H LYS 90 H LYS 90 18.215 -7.788 13.338 659 HA LYS 90 HA LYS 90 17.074 -9.295 11.233 660 HB2 LYS 90 HB2 LYS 90 16.999 -11.133 12.957 661 HB3 LYS 90 HB3 LYS 90 18.579 -10.402 12.709 662 HG2 LYS 90 HG2 LYS 90 17.337 -8.936 14.761 663 HG3 LYS 90 HG3 LYS 90 17.057 -10.643 15.113 664 HD2 LYS 90 HD2 LYS 90 19.785 -9.743 14.300 665 HD3 LYS 90 HD3 LYS 90 19.235 -9.452 15.952 666 HE2 LYS 90 HE2 LYS 90 18.844 -11.806 16.284 667 HE3 LYS 90 HE3 LYS 90 19.214 -12.145 14.595 668 HZ1 LYS 90 HZ1 LYS 90 21.271 -12.521 15.319 669 HZ2 LYS 90 HZ2 LYS 90 20.993 -11.782 16.815 670 HZ3 LYS 90 HZ3 LYS 90 21.425 -10.843 15.474 671 H ALA 91 H ALA 91 15.071 -8.326 10.754 672 HA ALA 91 HA ALA 91 13.007 -8.166 12.759 673 HB1 ALA 91 HB1 ALA 91 12.963 -6.487 11.087 674 HB2 ALA 91 HB2 ALA 91 13.011 -7.681 9.790 675 HB3 ALA 91 HB3 ALA 91 11.571 -7.529 10.794 676 H LYS 92 H LYS 92 14.329 -10.721 11.251 677 HA LYS 92 HA LYS 92 12.406 -12.254 10.081 678 HB2 LYS 92 HB2 LYS 92 14.671 -13.052 10.301 679 HB3 LYS 92 HB3 LYS 92 14.528 -13.113 12.054 680 HG2 LYS 92 HG2 LYS 92 12.498 -14.703 10.722 681 HG3 LYS 92 HG3 LYS 92 14.139 -15.206 10.308 682 HD2 LYS 92 HD2 LYS 92 14.696 -15.514 12.616 683 HD3 LYS 92 HD3 LYS 92 13.173 -14.789 13.134 684 HE2 LYS 92 HE2 LYS 92 11.982 -16.652 11.975 685 HE3 LYS 92 HE3 LYS 92 13.550 -17.401 11.677 686 HZ1 LYS 92 HZ1 LYS 92 13.239 -18.384 13.635 687 HZ2 LYS 92 HZ2 LYS 92 11.983 -17.342 14.079 688 HZ3 LYS 92 HZ3 LYS 92 13.591 -16.888 14.340 689 H ASN 93 H ASN 93 12.703 -11.459 13.475 690 HA ASN 93 HA ASN 93 10.662 -13.333 14.293 691 HB2 ASN 93 HB2 ASN 93 10.906 -12.147 16.514 692 HB3 ASN 93 3HB ASN 93 12.373 -12.904 15.899 693 HD21 ASN 93 HD21 ASN 93 13.769 -11.600 17.010 694 HD22 ASN 93 HD22 ASN 93 13.977 -9.921 16.660 695 H GLU 94 H GLU 94 9.456 -11.999 12.384 696 HA GLU 94 HA GLU 94 7.412 -10.504 13.793 697 HB2 GLU 94 HB2 GLU 94 8.977 -9.285 11.514 698 HB3 GLU 94 HB3 GLU 94 7.478 -8.627 12.154 699 HG2 GLU 94 HG2 GLU 94 10.033 -8.977 13.704 700 HG3 GLU 94 HG3 GLU 94 9.445 -7.464 13.019 701 H PHE 95 H PHE 95 5.854 -9.619 11.825 702 HA PHE 95 HA PHE 95 5.250 -12.052 10.286 703 HB2 PHE 95 HB2 PHE 95 3.606 -11.008 12.040 704 HB3 PHE 95 3HB PHE 95 3.251 -9.868 10.746 705 HD1 PHE 95 HD1 PHE 95 3.755 -13.561 10.993 706 HD2 PHE 95 HD2 PHE 95 1.329 -10.350 9.610 707 HE1 PHE 95 HE1 PHE 95 2.184 -15.178 10.006 708 HE2 PHE 95 HE2 PHE 95 -0.246 -11.961 8.621 709 HZ PHE 95 HZ PHE 95 0.180 -14.378 8.818 710 H THR 96 H THR 96 6.310 -8.862 10.008 711 HA THR 96 HA THR 96 5.181 -7.932 7.659 712 HB THR 96 HB THR 96 8.098 -7.482 7.972 713 HG1 THR 96 HG1 THR 96 7.291 -5.912 9.743 714 HG21 THR 96 HG21 THR 96 6.007 -5.357 7.957 715 HG22 THR 96 HG22 THR 96 6.291 -6.275 6.478 716 HG23 THR 96 HG23 THR 96 7.608 -5.367 7.220 717 H GLN 97 H GLN 97 7.512 -10.461 8.131 718 HA GLN 97 HA GLN 97 8.780 -10.623 5.699 719 HB2 GLN 97 HB2 GLN 97 7.732 -12.957 7.309 720 HB3 GLN 97 HB3 GLN 97 9.020 -13.019 6.114 721 HG2 GLN 97 HG2 GLN 97 10.514 -11.879 7.478 722 HG3 GLN 97 HG3 GLN 97 9.234 -11.234 8.502 723 HE21 GLN 97 HE21 GLN 97 7.797 -13.352 9.219 724 HE22 GLN 97 HE22 GLN 97 8.754 -14.498 10.089 725 H ALA 98 H ALA 98 5.538 -11.733 6.544 726 HA ALA 98 HA ALA 98 4.858 -13.196 4.319 727 HB1 ALA 98 HB1 ALA 98 2.509 -12.310 4.721 728 HB2 ALA 98 HB2 ALA 98 3.302 -13.111 6.079 729 HB3 ALA 98 HB3 ALA 98 3.212 -11.350 6.024 730 H TYR 99 H TYR 99 5.194 -9.729 4.622 731 HA TYR 99 HA TYR 99 3.818 -8.849 2.386 732 HB2 TYR 99 HB2 TYR 99 4.752 -7.286 3.978 733 HB3 TYR 99 3HB TYR 99 6.388 -7.801 3.584 734 HD1 TYR 99 HD1 TYR 99 3.399 -6.089 2.211 735 HD2 TYR 99 HD2 TYR 99 7.573 -6.811 1.803 736 HE1 TYR 99 HE1 TYR 99 3.527 -4.342 0.484 737 HE2 TYR 99 HE2 TYR 99 7.711 -5.064 0.076 738 HH TYR 99 HH TYR 99 4.895 -3.100 -0.780 739 H ALA 100 H ALA 100 7.271 -9.715 2.582 740 HA ALA 100 HA ALA 100 7.910 -9.391 -0.099 741 HB1 ALA 100 HB1 ALA 100 9.203 -11.658 1.278 742 HB2 ALA 100 HB2 ALA 100 9.916 -10.281 0.435 743 HB3 ALA 100 HB3 ALA 100 9.313 -10.090 2.081 744 H LYS 101 H LYS 101 6.312 -12.050 1.527 745 HA LYS 101 HA LYS 101 6.502 -13.874 -0.671 746 HB2 LYS 101 HB2 LYS 101 4.458 -14.010 1.535 747 HB3 LYS 101 HB3 LYS 101 5.159 -15.335 0.613 748 HG2 LYS 101 HG2 LYS 101 7.370 -14.258 1.770 749 HG3 LYS 101 HG3 LYS 101 6.145 -13.973 3.009 750 HD2 LYS 101 HD2 LYS 101 5.783 -16.214 3.358 751 HD3 LYS 101 HD3 LYS 101 6.285 -16.659 1.725 752 HE2 LYS 101 HE2 LYS 101 8.296 -15.502 3.598 753 HE3 LYS 101 HE3 LYS 101 7.808 -17.185 3.800 754 HZ1 LYS 101 HZ1 LYS 101 8.279 -17.209 1.224 755 HZ2 LYS 101 HZ2 LYS 101 9.518 -17.447 2.352 756 HZ3 LYS 101 HZ3 LYS 101 9.312 -15.931 1.629 757 H LEU 102 H LEU 102 3.920 -11.805 0.627 758 HA LEU 102 HA LEU 102 1.964 -12.520 -1.270 759 HB2 LEU 102 HB2 LEU 102 2.328 -10.439 0.764 760 HB3 LEU 102 3HB LEU 102 1.301 -9.965 -0.588 761 HG LEU 102 HG LEU 102 0.861 -12.343 1.218 762 HD11 LEU 102 HD11 LEU 102 -1.095 -10.150 1.067 763 HD12 LEU 102 HD12 LEU 102 0.428 -9.762 1.866 764 HD13 LEU 102 HD13 LEU 102 -0.558 -11.103 2.449 765 HD21 LEU 102 HD21 LEU 102 -1.382 -11.507 -0.389 766 HD22 LEU 102 HD22 LEU 102 -0.639 -13.100 -0.235 767 HD23 LEU 102 HD23 LEU 102 -0.003 -11.939 -1.401 768 H MET 103 H MET 103 4.785 -10.652 -1.561 769 HA MET 103 HA MET 103 4.021 -8.772 -3.504 770 HB2 MET 103 HB2 MET 103 6.128 -8.557 -2.346 771 HB3 MET 103 HB3 MET 103 6.687 -10.097 -2.987 772 HG2 MET 103 HG2 MET 103 5.969 -8.459 -5.181 773 HG3 MET 103 HG3 MET 103 6.968 -7.500 -4.090 774 HE1 MET 103 HE1 MET 103 10.338 -9.161 -4.033 775 HE2 MET 103 HE2 MET 103 9.680 -7.577 -4.440 776 HE3 MET 103 HE3 MET 103 9.097 -8.434 -3.013 777 H ASN 104 H ASN 104 5.909 -11.749 -4.066 778 HA ASN 104 HA ASN 104 5.719 -11.809 -6.812 779 HB2 ASN 104 HB2 ASN 104 7.189 -13.315 -5.605 780 HB3 ASN 104 3HB ASN 104 5.809 -14.137 -4.883 781 HD21 ASN 104 HD21 ASN 104 4.410 -15.346 -6.280 782 HD22 ASN 104 HD22 ASN 104 5.032 -16.034 -7.737 783 H GLN 105 H GLN 105 3.359 -12.794 -4.424 784 HA GLN 105 HA GLN 105 1.647 -14.354 -5.922 785 HB2 GLN 105 HB2 GLN 105 1.571 -13.078 -3.427 786 HB3 GLN 105 HB3 GLN 105 0.143 -12.509 -4.281 787 HG2 GLN 105 HG2 GLN 105 0.715 -15.417 -4.330 788 HG3 GLN 105 HG3 GLN 105 0.132 -14.711 -2.823 789 HE21 GLN 105 HE21 GLN 105 -0.597 -14.282 -6.273 790 HE22 GLN 105 HE22 GLN 105 -2.307 -14.455 -6.108 791 H TYR 106 H TYR 106 1.854 -10.827 -5.776 792 HA TYR 106 HA TYR 106 0.173 -10.713 -8.188 793 HB2 TYR 106 HB2 TYR 106 -0.574 -8.428 -7.270 794 HB3 TYR 106 3HB TYR 106 -1.274 -9.870 -6.544 795 HD1 TYR 106 HD1 TYR 106 1.847 -7.861 -6.034 796 HD2 TYR 106 HD2 TYR 106 -1.560 -9.702 -4.269 797 HE1 TYR 106 HE1 TYR 106 2.590 -7.099 -3.818 798 HE2 TYR 106 HE2 TYR 106 -0.826 -8.944 -2.047 799 HH TYR 106 HH TYR 106 2.050 -8.117 -1.245 800 H ARG 107 H ARG 107 3.070 -10.781 -7.913 801 HA ARG 107 HA ARG 107 4.018 -8.100 -8.384 802 HB2 ARG 107 HB2 ARG 107 5.548 -9.547 -7.285 803 HB3 ARG 107 HB3 ARG 107 5.325 -10.812 -8.486 804 HG2 ARG 107 HG2 ARG 107 6.270 -8.391 -9.723 805 HG3 ARG 107 HG3 ARG 107 7.336 -8.890 -8.407 806 HD2 ARG 107 HD2 ARG 107 7.653 -11.043 -9.380 807 HD3 ARG 107 HD3 ARG 107 6.389 -10.752 -10.574 808 HE ARG 107 HE ARG 107 8.480 -8.831 -10.771 809 HH11 ARG 107 HH11 ARG 107 7.617 -12.106 -11.577 810 HH12 ARG 107 HH12 ARG 107 8.681 -12.190 -12.941 811 HH21 ARG 107 HH21 ARG 107 9.885 -8.928 -12.565 812 HH22 ARG 107 HH22 ARG 107 9.972 -10.380 -13.502 813 H GLY 108 H GLY 108 4.126 -7.084 -10.280 814 HA2 GLY 108 HA1 GLY 108 4.910 -7.931 -12.716 815 HA3 GLY 108 HA2 GLY 108 3.233 -8.451 -12.671 816 H ILE 109 H ILE 109 2.701 -6.015 -10.901 817 HA ILE 109 HA ILE 109 2.461 -4.109 -13.131 818 HB ILE 109 HB ILE 109 0.689 -3.050 -11.606 819 HG12 ILE 109 HG12 ILE 109 1.566 -4.712 -9.715 820 HG13 ILE 109 HG13 ILE 109 -0.108 -4.171 -9.774 821 HG21 ILE 109 HG21 ILE 109 -0.093 -4.052 -13.551 822 HG22 ILE 109 HG22 ILE 109 0.406 -5.662 -13.039 823 HG23 ILE 109 HG23 ILE 109 -0.986 -4.889 -12.282 824 HD11 ILE 109 HD11 ILE 109 0.188 -6.605 -9.372 825 HD12 ILE 109 HD12 ILE 109 -0.803 -6.215 -10.778 826 HD13 ILE 109 HD13 ILE 109 0.867 -6.739 -10.993 827 H TYR 110 H TYR 110 3.487 -4.484 -9.798 828 HA TYR 110 HA TYR 110 4.618 -1.763 -9.897 829 HB2 TYR 110 HB2 TYR 110 4.145 -1.427 -7.656 830 HB3 TYR 110 3HB TYR 110 2.756 -2.386 -8.158 831 HD1 TYR 110 HD1 TYR 110 2.837 -4.906 -7.722 832 HD2 TYR 110 HD2 TYR 110 5.518 -2.146 -5.902 833 HE1 TYR 110 HE1 TYR 110 3.343 -6.559 -5.973 834 HE2 TYR 110 HE2 TYR 110 6.032 -3.793 -4.150 835 HH TYR 110 HH TYR 110 4.342 -6.146 -3.283 836 H SER 111 H SER 111 6.451 -1.634 -8.111 837 HA SER 111 HA SER 111 8.083 -4.035 -8.020 838 HB2 SER 111 HB2 SER 111 9.576 -1.678 -9.004 839 HB3 SER 111 3HB SER 111 9.757 -3.383 -9.417 840 HG SER 111 HG SER 111 8.945 -2.354 -11.205 841 H PHE 112 H PHE 112 9.802 -3.918 -6.509 842 HA PHE 112 HA PHE 112 10.345 -1.560 -5.006 843 HB2 PHE 112 HB2 PHE 112 8.201 -3.327 -4.098 844 HB3 PHE 112 3HB PHE 112 9.455 -3.093 -2.884 845 HD1 PHE 112 HD1 PHE 112 10.205 -0.580 -2.565 846 HD2 PHE 112 HD2 PHE 112 6.465 -1.828 -4.170 847 HE1 PHE 112 HE1 PHE 112 9.225 1.597 -1.969 848 HE2 PHE 112 HE2 PHE 112 5.480 0.347 -3.577 849 HZ PHE 112 HZ PHE 112 6.860 2.062 -2.476 850 H GLU 113 H GLU 113 12.233 -1.745 -3.900 851 HA GLU 113 HA GLU 113 14.003 -3.797 -4.466 852 HB2 GLU 113 HB2 GLU 113 13.986 -1.424 -2.827 853 HB3 GLU 113 HB3 GLU 113 14.818 -2.729 -1.992 854 HG2 GLU 113 HG2 GLU 113 16.511 -1.678 -3.162 855 HG3 GLU 113 HG3 GLU 113 16.100 -3.047 -4.193 856 H LYS 114 H LYS 114 15.174 -5.074 -2.652 857 HA LYS 114 HA LYS 114 13.546 -7.127 -1.789 858 HB2 LYS 114 HB2 LYS 114 16.280 -6.450 -1.584 859 HB3 LYS 114 HB3 LYS 114 15.739 -6.826 0.047 860 HG2 LYS 114 HG2 LYS 114 15.018 -9.000 -0.614 861 HG3 LYS 114 HG3 LYS 114 15.282 -8.628 -2.319 862 HD2 LYS 114 HD2 LYS 114 17.196 -9.801 -1.847 863 HD3 LYS 114 HD3 LYS 114 17.736 -8.157 -1.499 864 HE2 LYS 114 HE2 LYS 114 17.837 -8.520 0.741 865 HE3 LYS 114 HE3 LYS 114 16.487 -9.654 0.727 866 HZ1 LYS 114 HZ1 LYS 114 17.969 -11.277 0.841 867 HZ2 LYS 114 HZ2 LYS 114 19.261 -10.197 0.678 868 HZ3 LYS 114 HZ3 LYS 114 18.529 -10.856 -0.698 869 H VAL 115 H VAL 115 12.417 -7.605 0.043 870 HA VAL 115 HA VAL 115 12.368 -5.591 2.185 871 HB VAL 115 HB VAL 115 9.810 -6.376 2.272 872 HG11 VAL 115 HG11 VAL 115 10.556 -4.073 2.241 873 HG12 VAL 115 HG12 VAL 115 10.920 -4.186 0.518 874 HG13 VAL 115 HG13 VAL 115 9.250 -4.294 1.078 875 HG21 VAL 115 HG21 VAL 115 8.843 -6.869 0.242 876 HG22 VAL 115 HG22 VAL 115 10.166 -6.157 -0.684 877 HG23 VAL 115 HG23 VAL 115 10.381 -7.721 0.103 878 H LYS 116 H LYS 116 13.295 -6.704 3.804 879 HA LYS 116 HA LYS 116 12.800 -9.514 4.207 880 HB2 LYS 116 HB2 LYS 116 14.434 -7.431 5.624 881 HB3 LYS 116 HB3 LYS 116 14.152 -9.000 6.368 882 HG2 LYS 116 HG2 LYS 116 14.965 -9.684 3.844 883 HG3 LYS 116 HG3 LYS 116 15.936 -8.249 4.189 884 HD2 LYS 116 HD2 LYS 116 15.687 -10.567 6.097 885 HD3 LYS 116 HD3 LYS 116 16.951 -10.462 4.869 886 HE2 LYS 116 HE2 LYS 116 18.124 -9.400 6.456 887 HE3 LYS 116 HE3 LYS 116 17.119 -8.011 6.048 888 HZ1 LYS 116 HZ1 LYS 116 16.216 -9.955 8.069 889 HZ2 LYS 116 HZ2 LYS 116 15.783 -8.331 7.887 890 HZ3 LYS 116 HZ3 LYS 116 17.309 -8.737 8.493 891 H ALA 117 H ALA 117 12.592 -6.891 6.598 892 HA ALA 117 HA ALA 117 9.860 -7.146 7.163 893 HB1 ALA 117 HB1 ALA 117 10.097 -8.324 9.400 894 HB2 ALA 117 HB2 ALA 117 10.204 -9.335 7.958 895 HB3 ALA 117 HB3 ALA 117 11.671 -8.877 8.824 896 H HIS 118 H HIS 118 9.209 -5.945 9.076 897 HA HIS 118 HA HIS 118 10.998 -4.630 10.788 898 HB2 HIS 118 HB2 HIS 118 11.756 -3.429 8.824 899 HB3 HIS 118 3HB HIS 118 10.100 -3.007 8.399 900 HD1 HIS 118 HD1 HIS 118 12.130 -2.572 11.599 901 HD2 HIS 118 HD2 HIS 118 9.746 -0.401 8.978 902 HE1 HIS 118 HE1 HIS 118 12.021 -0.248 12.556 903 H SER 119 H SER 119 9.947 -3.247 12.275 904 HA SER 119 HA SER 119 7.202 -3.870 12.689 905 HB2 SER 119 HB2 SER 119 9.083 -1.953 14.077 906 HB3 SER 119 3HB SER 119 7.419 -2.222 14.599 907 HG SER 119 HG SER 119 9.141 -3.535 15.620 908 H GLY 120 H GLY 120 8.595 -0.596 12.648 909 HA2 GLY 120 HA1 GLY 120 7.052 0.366 10.489 910 HA3 GLY 120 HA2 GLY 120 6.202 0.694 11.993 911 H ASN 121 H ASN 121 6.714 2.889 10.766 912 HA ASN 121 HA ASN 121 8.455 4.327 12.441 913 HB2 ASN 121 HB2 ASN 121 9.783 3.053 10.303 914 HB3 ASN 121 3HB ASN 121 9.679 4.756 9.868 915 HD21 ASN 121 HD21 ASN 121 10.953 6.200 10.875 916 HD22 ASN 121 HD22 ASN 121 12.082 5.803 12.121 917 H GLU 122 H GLU 122 9.082 6.519 10.951 918 HA GLU 122 HA GLU 122 6.422 7.512 10.229 919 HB2 GLU 122 HB2 GLU 122 7.423 9.759 10.498 920 HB3 GLU 122 HB3 GLU 122 7.552 8.780 11.953 921 HG2 GLU 122 HG2 GLU 122 9.806 8.670 11.851 922 HG3 GLU 122 HG3 GLU 122 9.838 8.678 10.090 923 H PHE 123 H PHE 123 8.728 6.054 8.616 924 HA PHE 123 HA PHE 123 9.280 7.893 6.490 925 HB2 PHE 123 HB2 PHE 123 9.754 4.956 6.909 926 HB3 PHE 123 3HB PHE 123 10.035 5.693 5.335 927 HD1 PHE 123 HD1 PHE 123 10.890 6.190 8.929 928 HD2 PHE 123 HD2 PHE 123 12.121 6.535 4.869 929 HE1 PHE 123 HE1 PHE 123 13.124 6.908 9.671 930 HE2 PHE 123 HE2 PHE 123 14.357 7.252 5.604 931 HZ PHE 123 HZ PHE 123 14.861 7.440 8.007 932 H ASN 124 H ASN 124 6.862 5.464 7.144 933 HA ASN 124 HA ASN 124 5.867 5.306 4.467 934 HB2 ASN 124 HB2 ASN 124 4.139 3.930 5.353 935 HB3 ASN 124 3HB ASN 124 5.593 3.538 6.267 936 HD21 ASN 124 HD21 ASN 124 5.573 3.747 8.414 937 HD22 ASN 124 HD22 ASN 124 4.267 4.409 9.332 938 H ASP 125 H ASP 125 5.025 7.148 7.351 939 HA ASP 125 HA ASP 125 2.595 8.223 6.553 940 HB2 ASP 125 HB2 ASP 125 4.765 9.100 8.398 941 HB3 ASP 125 3HB ASP 125 3.531 10.280 7.962 942 H TYR 126 H TYR 126 5.788 8.902 5.423 943 HA TYR 126 HA TYR 126 5.577 11.475 4.447 944 HB2 TYR 126 HB2 TYR 126 7.697 10.561 4.221 945 HB3 TYR 126 3HB TYR 126 7.089 9.054 3.546 946 HD1 TYR 126 HD1 TYR 126 6.408 8.950 1.168 947 HD2 TYR 126 HD2 TYR 126 8.222 12.426 2.820 948 HE1 TYR 126 HE1 TYR 126 6.903 9.761 -1.100 949 HE2 TYR 126 HE2 TYR 126 8.723 13.248 0.556 950 HH TYR 126 HH TYR 126 8.886 12.590 -1.647 951 H VAL 127 H VAL 127 4.264 8.497 3.142 952 HA VAL 127 HA VAL 127 3.604 9.302 0.568 953 HB VAL 127 HB VAL 127 1.834 7.604 0.620 954 HG11 VAL 127 HG11 VAL 127 3.573 5.867 1.921 955 HG12 VAL 127 HG12 VAL 127 3.573 6.276 0.205 956 HG13 VAL 127 HG13 VAL 127 4.603 7.168 1.325 957 HG21 VAL 127 HG21 VAL 127 2.163 6.428 3.145 958 HG22 VAL 127 HG22 VAL 127 1.913 8.149 3.438 959 HG23 VAL 127 HG23 VAL 127 0.727 7.231 2.511 960 H ASP 128 H ASP 128 2.200 10.201 3.600 961 HA ASP 128 HA ASP 128 -0.348 11.014 2.755 962 HB2 ASP 128 HB2 ASP 128 1.401 12.046 4.995 963 HB3 ASP 128 3HB ASP 128 -0.285 12.505 4.772 964 H MET 129 H MET 129 2.701 12.822 2.978 965 HA MET 129 HA MET 129 1.579 15.253 1.992 966 HB2 MET 129 HB2 MET 129 4.125 14.344 2.986 967 HB3 MET 129 HB3 MET 129 4.353 15.279 1.515 968 HG2 MET 129 HG2 MET 129 2.847 17.028 2.603 969 HG3 MET 129 HG3 MET 129 3.109 16.136 4.100 970 HE1 MET 129 HE1 MET 129 6.947 16.257 4.487 971 HE2 MET 129 HE2 MET 129 5.580 15.148 4.394 972 HE3 MET 129 HE3 MET 129 6.582 15.432 2.971 973 H LYS 130 H LYS 130 3.647 12.748 0.545 974 HA LYS 130 HA LYS 130 3.930 13.844 -1.987 975 HB2 LYS 130 HB2 LYS 130 4.629 11.460 -0.748 976 HB3 LYS 130 HB3 LYS 130 3.578 10.953 -2.064 977 HG2 LYS 130 HG2 LYS 130 5.794 12.882 -2.593 978 HG3 LYS 130 HG3 LYS 130 6.135 11.155 -2.452 979 HD2 LYS 130 HD2 LYS 130 5.499 10.887 -4.564 980 HD3 LYS 130 HD3 LYS 130 3.874 11.417 -4.123 981 HE2 LYS 130 HE2 LYS 130 5.826 13.582 -4.459 982 HE3 LYS 130 HE3 LYS 130 5.485 12.666 -5.926 983 HZ1 LYS 130 HZ1 LYS 130 3.758 14.056 -6.095 984 HZ2 LYS 130 HZ2 LYS 130 3.797 14.495 -4.461 985 HZ3 LYS 130 HZ3 LYS 130 3.024 13.067 -4.935 986 H ALA 131 H ALA 131 1.492 11.468 -0.923 987 HA ALA 131 HA ALA 131 0.036 11.298 -3.272 988 HB1 ALA 131 HB1 ALA 131 -0.521 9.735 -1.647 989 HB2 ALA 131 HB2 ALA 131 -0.722 10.962 -0.395 990 HB3 ALA 131 HB3 ALA 131 -1.926 10.801 -1.674 991 H LYS 132 H LYS 132 -0.065 13.741 -0.752 992 HA LYS 132 HA LYS 132 -2.432 15.040 -1.348 993 HB2 LYS 132 HB2 LYS 132 -0.224 15.531 0.275 994 HB3 LYS 132 HB3 LYS 132 -0.287 16.925 -0.795 995 HG2 LYS 132 HG2 LYS 132 -2.895 16.689 -0.070 996 HG3 LYS 132 HG3 LYS 132 -2.070 16.138 1.390 997 HD2 LYS 132 HD2 LYS 132 -0.639 18.230 1.185 998 HD3 LYS 132 HD3 LYS 132 -1.807 18.785 -0.016 999 HE2 LYS 132 HE2 LYS 132 -2.968 19.620 1.696 1000 HE3 LYS 132 HE3 LYS 132 -3.388 17.953 2.089 1001 HZ1 LYS 132 HZ1 LYS 132 -1.426 19.723 3.349 1002 HZ2 LYS 132 HZ2 LYS 132 -1.090 18.066 3.317 1003 HZ3 LYS 132 HZ3 LYS 132 -2.503 18.627 4.057 1004 H SER 133 H SER 133 0.609 15.081 -3.061 1005 HA SER 133 HA SER 133 -0.079 17.319 -4.730 1006 HB2 SER 133 HB2 SER 133 2.289 16.241 -4.071 1007 HB3 SER 133 3HB SER 133 2.019 15.399 -5.597 1008 HG SER 133 HG SER 133 2.978 17.783 -5.324 1009 H ALA 134 H ALA 134 -0.317 13.833 -4.913 1010 HA ALA 134 HA ALA 134 -0.889 13.676 -7.694 1011 HB1 ALA 134 HB1 ALA 134 -0.862 11.467 -7.360 1012 HB2 ALA 134 HB2 ALA 134 -0.337 11.855 -5.721 1013 HB3 ALA 134 HB3 ALA 134 -2.044 11.558 -6.053 1014 H LEU 135 H LEU 135 -2.905 13.866 -4.790 1015 HA LEU 135 HA LEU 135 -5.380 13.590 -6.167 1016 HB2 LEU 135 HB2 LEU 135 -4.537 14.402 -3.430 1017 HB3 LEU 135 3HB LEU 135 -6.178 14.778 -3.951 1018 HG LEU 135 HG LEU 135 -6.676 12.445 -4.252 1019 HD11 LEU 135 HD11 LEU 135 -3.790 11.954 -3.533 1020 HD12 LEU 135 HD12 LEU 135 -4.546 11.675 -5.101 1021 HD13 LEU 135 HD13 LEU 135 -5.023 10.705 -3.706 1022 HD21 LEU 135 HD21 LEU 135 -6.520 11.674 -1.968 1023 HD22 LEU 135 HD22 LEU 135 -6.866 13.404 -1.985 1024 HD23 LEU 135 HD23 LEU 135 -5.234 12.834 -1.631 1025 H GLY 136 H GLY 136 -3.233 16.237 -5.573 1026 HA2 GLY 136 HA1 GLY 136 -3.312 18.250 -6.815 1027 HA3 GLY 136 HA2 GLY 136 -5.026 17.982 -7.094 1028 H ILE 137 H ILE 137 -3.524 17.732 -3.939 1029 HA ILE 137 HA ILE 137 -5.276 19.850 -2.977 1030 HB ILE 137 HB ILE 137 -3.402 18.149 -1.337 1031 HG12 ILE 137 HG12 ILE 137 -6.298 17.632 -2.048 1032 HG13 ILE 137 HG13 ILE 137 -4.916 16.699 -2.612 1033 HG21 ILE 137 HG21 ILE 137 -4.349 20.259 -0.359 1034 HG22 ILE 137 HG22 ILE 137 -5.948 19.535 -0.523 1035 HG23 ILE 137 HG23 ILE 137 -4.743 18.783 0.523 1036 HD11 ILE 137 HD11 ILE 137 -6.464 16.293 -0.305 1037 HD12 ILE 137 HD12 ILE 137 -5.029 15.409 -0.825 1038 HD13 ILE 137 HD13 ILE 137 -4.866 16.808 0.235 1039 H ARG 138 H ARG 138 -4.613 21.785 -2.186 1040 HA ARG 138 HA ARG 138 -2.062 22.763 -2.969 1041 HB2 ARG 138 HB2 ARG 138 -2.771 24.864 -2.128 1042 HB3 ARG 138 HB3 ARG 138 -4.207 24.099 -2.797 1043 HG2 ARG 138 HG2 ARG 138 -4.172 23.307 -0.136 1044 HG3 ARG 138 HG3 ARG 138 -3.679 25.002 -0.109 1045 HD2 ARG 138 HD2 ARG 138 -5.999 24.226 -1.802 1046 HD3 ARG 138 HD3 ARG 138 -6.225 24.295 -0.055 1047 HE ARG 138 HE ARG 138 -4.967 26.654 -0.860 1048 HH11 ARG 138 HH11 ARG 138 -8.020 25.026 -1.251 1049 HH12 ARG 138 HH12 ARG 138 -8.925 26.490 -1.441 1050 HH21 ARG 138 HH21 ARG 138 -6.149 28.589 -1.109 1051 HH22 ARG 138 HH22 ARG 138 -7.859 28.517 -1.362 1052 H ASP 139 H ASP 139 -1.156 24.362 -0.976 1053 HA ASP 139 HA ASP 139 -0.925 23.244 1.573 1054 HB2 ASP 139 HB2 ASP 139 0.454 21.706 -0.280 1055 HB3 ASP 139 3HB ASP 139 1.705 22.723 0.428 1056 H LEU 140 H LEU 140 0.500 24.410 2.930 1057 HA LEU 140 HA LEU 140 2.056 26.567 1.745 1058 HB2 LEU 140 HB2 LEU 140 0.899 28.057 3.599 1059 HB3 LEU 140 3HB LEU 140 0.245 27.911 1.970 1060 HG LEU 140 HG LEU 140 -0.745 26.048 4.074 1061 HD11 LEU 140 HD11 LEU 140 -0.717 28.381 5.036 1062 HD12 LEU 140 HD12 LEU 140 -2.298 27.603 4.946 1063 HD13 LEU 140 HD13 LEU 140 -1.848 28.829 3.759 1064 HD21 LEU 140 HD21 LEU 140 -1.329 26.460 1.431 1065 HD22 LEU 140 HD22 LEU 140 -2.596 27.375 2.246 1066 HD23 LEU 140 HD23 LEU 140 -2.380 25.660 2.599 1067 H GLU 141 H GLU 141 3.637 24.999 2.670 1068 HA GLU 141 HA GLU 141 4.770 25.996 5.022 1069 HB2 GLU 141 HB2 GLU 141 2.712 24.052 5.473 1070 HB3 GLU 141 HB3 GLU 141 4.260 23.370 5.950 1071 HG2 GLU 141 HG2 GLU 141 4.434 25.818 7.074 1072 HG3 GLU 141 HG3 GLU 141 2.695 25.539 7.158 1073 H HIS 142 H HIS 142 6.338 24.084 5.963 1074 HA HIS 142 HA HIS 142 7.344 22.300 3.968 1075 HB2 HIS 142 HB2 HIS 142 9.612 23.424 3.846 1076 HB3 HIS 142 3HB HIS 142 8.313 24.232 2.973 1077 HD1 HIS 142 HD1 HIS 142 8.953 26.633 3.117 1078 HD2 HIS 142 HD2 HIS 142 9.205 24.719 6.796 1079 HE1 HIS 142 HE1 HIS 142 9.461 28.445 4.784 1080 H HIS 143 H HIS 143 9.619 21.471 4.727 1081 HA HIS 143 HA HIS 143 9.965 21.560 7.607 1082 HB2 HIS 143 HB2 HIS 143 8.609 19.369 6.263 1083 HB3 HIS 143 3HB HIS 143 10.048 18.816 7.114 1084 HD1 HIS 143 HD1 HIS 143 6.585 19.285 7.660 1085 HD2 HIS 143 HD2 HIS 143 9.993 19.963 9.939 1086 HE1 HIS 143 HE1 HIS 143 5.790 19.399 10.044 1087 H HIS 144 H HIS 144 11.857 20.099 8.254 1088 HA HIS 144 HA HIS 144 13.743 19.280 6.315 1089 HB2 HIS 144 HB2 HIS 144 13.745 21.930 6.332 1090 HB3 HIS 144 3HB HIS 144 14.760 21.692 7.751 1091 HD1 HIS 144 HD1 HIS 144 17.072 22.132 6.982 1092 HD2 HIS 144 HD2 HIS 144 14.959 19.790 4.278 1093 HE1 HIS 144 HE1 HIS 144 18.731 21.498 5.202 1094 H HIS 145 H HIS 145 15.919 18.825 7.350 1095 HA HIS 145 HA HIS 145 16.043 18.698 10.210 1096 HB2 HIS 145 HB2 HIS 145 16.136 16.218 10.347 1097 HB3 HIS 145 3HB HIS 145 14.549 16.819 9.876 1098 HD1 HIS 145 HD1 HIS 145 13.551 15.709 7.904 1099 HD2 HIS 145 HD2 HIS 145 17.687 15.331 7.963 1100 HE1 HIS 145 HE1 HIS 145 14.119 14.229 5.952 1101 H HIS 146 H HIS 146 18.003 17.258 10.862 1102 HA HIS 146 HA HIS 146 20.039 16.741 8.980 1103 HB2 HIS 146 HB2 HIS 146 19.775 19.460 9.567 1104 HB3 HIS 146 3HB HIS 146 21.136 18.922 10.547 1105 HD1 HIS 146 HD1 HIS 146 20.921 20.669 7.711 1106 HD2 HIS 146 HD2 HIS 146 22.564 16.916 8.402 1107 HE1 HIS 146 HE1 HIS 146 22.576 20.306 5.852 1108 H HIS 147 H HIS 147 21.365 15.299 9.875 1109 HA HIS 147 HA HIS 147 22.473 15.467 12.445 1110 HB2 HIS 147 HB2 HIS 147 19.903 14.812 12.760 1111 HB3 HIS 147 3HB HIS 147 20.541 13.201 12.443 1112 HD1 HIS 147 HD1 HIS 147 20.469 15.891 15.003 1113 HD2 HIS 147 HD2 HIS 147 22.284 12.197 14.433 1114 HE1 HIS 147 HE1 HIS 147 21.403 15.248 17.247 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -8.787 4.506 -19.413 2 HA MET 1 HA MET 1 -7.609 2.994 -18.143 3 HB2 MET 1 HB2 MET 1 -6.439 1.933 -20.717 4 HB3 MET 1 HB3 MET 1 -6.412 1.156 -19.140 5 HG2 MET 1 HG2 MET 1 -8.278 0.102 -19.659 6 HG3 MET 1 HG3 MET 1 -9.111 1.653 -19.733 7 HE1 MET 1 HE1 MET 1 -6.718 -0.641 -22.256 8 HE2 MET 1 HE2 MET 1 -8.004 -1.384 -21.303 9 HE3 MET 1 HE3 MET 1 -8.192 -1.200 -23.048 10 H ASP 2 H ASP 2 -6.660 5.201 -17.741 11 HA ASP 2 HA ASP 2 -3.796 5.000 -17.868 12 HB2 ASP 2 HB2 ASP 2 -5.038 6.381 -19.954 13 HB3 ASP 2 3HB ASP 2 -4.481 7.642 -18.856 14 H ASP 3 H ASP 3 -3.008 7.462 -17.123 15 HA ASP 3 HA ASP 3 -4.648 8.782 -15.251 16 HB2 ASP 3 HB2 ASP 3 -4.165 6.476 -14.153 17 HB3 ASP 3 3HB ASP 3 -2.555 7.130 -13.866 18 H ARG 4 H ARG 4 -3.684 10.632 -14.457 19 HA ARG 4 HA ARG 4 -1.097 11.276 -15.648 20 HB2 ARG 4 HB2 ARG 4 -1.661 13.560 -15.358 21 HB3 ARG 4 HB3 ARG 4 -3.128 12.767 -15.915 22 HG2 ARG 4 HG2 ARG 4 -3.606 12.573 -13.337 23 HG3 ARG 4 HG3 ARG 4 -2.492 13.940 -13.261 24 HD2 ARG 4 HD2 ARG 4 -4.359 14.349 -15.388 25 HD3 ARG 4 HD3 ARG 4 -5.237 13.961 -13.910 26 HE ARG 4 HE ARG 4 -3.407 15.833 -13.143 27 HH11 ARG 4 HH11 ARG 4 -5.906 15.683 -15.562 28 HH12 ARG 4 HH12 ARG 4 -6.230 17.385 -15.520 29 HH21 ARG 4 HH21 ARG 4 -3.823 18.075 -13.079 30 HH22 ARG 4 HH22 ARG 4 -5.044 18.744 -14.109 31 H THR 5 H THR 5 -1.473 9.585 -13.205 32 HA THR 5 HA THR 5 -0.655 11.050 -10.926 33 HB THR 5 HB THR 5 -0.015 8.832 -9.985 34 HG1 THR 5 HG1 THR 5 0.575 7.493 -11.549 35 HG21 THR 5 HG21 THR 5 -2.402 7.801 -10.462 36 HG22 THR 5 HG22 THR 5 -2.684 9.382 -11.190 37 HG23 THR 5 HG23 THR 5 -2.214 9.263 -9.495 38 H GLU 6 H GLU 6 1.452 10.561 -9.774 39 HA GLU 6 HA GLU 6 3.768 9.768 -11.112 40 HB2 GLU 6 HB2 GLU 6 2.901 12.191 -12.107 41 HB3 GLU 6 HB3 GLU 6 4.091 12.667 -10.904 42 HG2 GLU 6 HG2 GLU 6 5.792 11.378 -11.974 43 HG3 GLU 6 HG3 GLU 6 4.622 10.662 -13.081 44 H TYR 7 H TYR 7 2.500 9.660 -8.522 45 HA TYR 7 HA TYR 7 4.805 10.380 -6.910 46 HB2 TYR 7 HB2 TYR 7 2.049 11.342 -6.123 47 HB3 TYR 7 3HB TYR 7 3.552 11.614 -5.249 48 HD1 TYR 7 HD1 TYR 7 5.343 13.037 -6.357 49 HD2 TYR 7 HD2 TYR 7 1.344 12.833 -7.796 50 HE1 TYR 7 HE1 TYR 7 5.687 15.136 -7.592 51 HE2 TYR 7 HE2 TYR 7 1.678 14.931 -9.036 52 HH TYR 7 HH TYR 7 3.076 16.579 -9.525 53 H ASP 8 H ASP 8 4.734 9.407 -4.757 54 HA ASP 8 HA ASP 8 4.078 6.727 -4.773 55 HB2 ASP 8 HB2 ASP 8 5.630 7.857 -3.165 56 HB3 ASP 8 3HB ASP 8 4.220 8.466 -2.304 57 H VAL 9 H VAL 9 2.500 5.533 -3.495 58 HA VAL 9 HA VAL 9 -0.139 6.749 -3.727 59 HB VAL 9 HB VAL 9 0.741 3.908 -3.219 60 HG11 VAL 9 HG11 VAL 9 -1.690 3.352 -3.438 61 HG12 VAL 9 HG12 VAL 9 -1.262 4.202 -1.953 62 HG13 VAL 9 HG13 VAL 9 -2.037 5.073 -3.276 63 HG21 VAL 9 HG21 VAL 9 1.001 4.678 -5.512 64 HG22 VAL 9 HG22 VAL 9 -0.303 3.497 -5.403 65 HG23 VAL 9 HG23 VAL 9 -0.679 5.214 -5.540 66 H TYR 10 H TYR 10 -1.560 7.031 -2.046 67 HA TYR 10 HA TYR 10 -0.434 7.445 0.537 68 HB2 TYR 10 HB2 TYR 10 -2.208 8.894 -0.233 69 HB3 TYR 10 3HB TYR 10 -3.295 7.524 -0.438 70 HD1 TYR 10 HD1 TYR 10 -1.213 9.083 2.253 71 HD2 TYR 10 HD2 TYR 10 -4.874 7.185 1.205 72 HE1 TYR 10 HE1 TYR 10 -2.025 9.392 4.553 73 HE2 TYR 10 HE2 TYR 10 -5.697 7.490 3.502 74 HH TYR 10 HH TYR 10 -3.915 9.374 5.858 75 H THR 11 H THR 11 0.359 5.275 0.942 76 HA THR 11 HA THR 11 -1.747 3.538 2.049 77 HB THR 11 HB THR 11 -0.195 1.596 1.504 78 HG1 THR 11 HG1 THR 11 0.945 3.590 -0.187 79 HG21 THR 11 HG21 THR 11 -1.668 1.226 -0.126 80 HG22 THR 11 HG22 THR 11 -0.862 2.408 -1.157 81 HG23 THR 11 HG23 THR 11 -2.140 2.923 -0.057 82 H ASP 12 H ASP 12 -0.900 2.009 3.714 83 HA ASP 12 HA ASP 12 0.146 1.596 5.692 84 HB2 ASP 12 HB2 ASP 12 2.493 3.289 4.972 85 HB3 ASP 12 3HB ASP 12 2.445 1.707 5.745 86 H GLY 13 H GLY 13 -1.025 2.623 7.214 87 HA2 GLY 13 HA1 GLY 13 -0.396 4.382 8.971 88 HA3 GLY 13 HA2 GLY 13 -0.540 5.501 7.623 89 H SER 14 H SER 14 -2.288 3.318 9.741 90 HA SER 14 HA SER 14 -4.564 4.964 9.862 91 HB2 SER 14 HB2 SER 14 -4.675 3.839 7.490 92 HB3 SER 14 3HB SER 14 -5.233 2.434 8.398 93 HG SER 14 HG SER 14 -6.811 4.141 7.578 94 H TYR 15 H TYR 15 -6.015 4.292 11.435 95 HA TYR 15 HA TYR 15 -6.251 1.708 12.474 96 HB2 TYR 15 HB2 TYR 15 -5.036 2.129 14.676 97 HB3 TYR 15 3HB TYR 15 -4.026 1.787 13.275 98 HD1 TYR 15 HD1 TYR 15 -5.482 4.699 15.111 99 HD2 TYR 15 HD2 TYR 15 -2.209 3.157 12.873 100 HE1 TYR 15 HE1 TYR 15 -4.236 6.781 15.510 101 HE2 TYR 15 HE2 TYR 15 -0.954 5.235 13.267 102 HH TYR 15 HH TYR 15 -2.396 7.942 15.053 103 H VAL 16 H VAL 16 -7.469 1.653 14.518 104 HA VAL 16 HA VAL 16 -8.721 4.196 15.257 105 HB VAL 16 HB VAL 16 -10.245 3.313 13.619 106 HG11 VAL 16 HG11 VAL 16 -11.129 1.124 13.624 107 HG12 VAL 16 HG12 VAL 16 -9.391 0.940 13.861 108 HG13 VAL 16 HG13 VAL 16 -10.490 0.787 15.232 109 HG21 VAL 16 HG21 VAL 16 -11.108 4.284 15.794 110 HG22 VAL 16 HG22 VAL 16 -12.244 3.292 14.879 111 HG23 VAL 16 HG23 VAL 16 -11.432 2.624 16.296 112 H ASN 17 H ASN 17 -8.455 4.385 17.376 113 HA ASN 17 HA ASN 17 -8.521 3.928 19.607 114 HB2 ASN 17 HB2 ASN 17 -10.646 2.659 18.884 115 HB3 ASN 17 3HB ASN 17 -9.657 1.206 19.001 116 HD21 ASN 17 HD21 ASN 17 -11.891 2.822 20.590 117 HD22 ASN 17 HD22 ASN 17 -11.428 2.520 22.226 118 H GLY 18 H GLY 18 -8.001 0.675 18.240 119 HA2 GLY 18 HA1 GLY 18 -5.195 0.734 18.929 120 HA3 GLY 18 HA2 GLY 18 -6.163 -0.303 19.967 121 H GLN 19 H GLN 19 -7.142 0.060 16.681 122 HA GLN 19 HA GLN 19 -6.193 -2.672 16.140 123 HB2 GLN 19 HB2 GLN 19 -8.757 -1.498 15.897 124 HB3 GLN 19 HB3 GLN 19 -8.181 -1.805 14.264 125 HG2 GLN 19 HG2 GLN 19 -7.545 -4.142 15.446 126 HG3 GLN 19 HG3 GLN 19 -8.969 -3.685 16.380 127 HE21 GLN 19 HE21 GLN 19 -8.036 -3.375 12.968 128 HE22 GLN 19 HE22 GLN 19 -9.456 -4.129 12.336 129 H TYR 20 H TYR 20 -6.276 -2.946 13.534 130 HA TYR 20 HA TYR 20 -4.526 -0.819 12.484 131 HB2 TYR 20 HB2 TYR 20 -3.374 -2.515 11.177 132 HB3 TYR 20 3HB TYR 20 -3.359 -2.966 12.879 133 HD1 TYR 20 HD1 TYR 20 -5.042 -4.697 13.674 134 HD2 TYR 20 HD2 TYR 20 -4.258 -3.966 9.557 135 HE1 TYR 20 HE1 TYR 20 -6.013 -6.885 13.106 136 HE2 TYR 20 HE2 TYR 20 -5.229 -6.151 8.977 137 HH TYR 20 HH TYR 20 -5.955 -8.119 9.799 138 H ALA 21 H ALA 21 -5.021 0.089 10.571 139 HA ALA 21 HA ALA 21 -7.184 -1.122 8.981 140 HB1 ALA 21 HB1 ALA 21 -8.240 0.968 8.655 141 HB2 ALA 21 HB2 ALA 21 -7.929 0.841 10.386 142 HB3 ALA 21 HB3 ALA 21 -6.890 1.845 9.376 143 H TRP 22 H TRP 22 -7.272 -0.222 6.731 144 HA TRP 22 HA TRP 22 -4.676 0.706 5.743 145 HB2 TRP 22 HB2 TRP 22 -4.891 -0.992 3.853 146 HB3 TRP 22 3HB TRP 22 -4.432 -1.628 5.430 147 HD1 TRP 22 HD1 TRP 22 -6.157 -3.229 6.661 148 HE1 TRP 22 HE1 TRP 22 -8.252 -4.482 5.846 149 HE3 TRP 22 HE3 TRP 22 -6.896 -0.782 2.233 150 HZ2 TRP 22 HZ2 TRP 22 -9.989 -4.440 3.621 151 HZ3 TRP 22 HZ3 TRP 22 -8.797 -1.450 0.821 152 HH2 TRP 22 HH2 TRP 22 -10.309 -3.241 1.502 153 H ALA 23 H ALA 23 -4.861 2.228 4.218 154 HA ALA 23 HA ALA 23 -7.344 2.406 2.667 155 HB1 ALA 23 HB1 ALA 23 -7.285 3.938 4.751 156 HB2 ALA 23 HB2 ALA 23 -6.150 4.902 3.807 157 HB3 ALA 23 HB3 ALA 23 -7.782 4.617 3.201 158 H TYR 24 H TYR 24 -7.146 3.477 0.665 159 HA TYR 24 HA TYR 24 -4.557 4.472 -0.166 160 HB2 TYR 24 HB2 TYR 24 -4.628 2.878 -2.193 161 HB3 TYR 24 3HB TYR 24 -4.065 2.234 -0.655 162 HD1 TYR 24 HD1 TYR 24 -7.303 2.656 -2.484 163 HD2 TYR 24 HD2 TYR 24 -4.856 0.156 -0.062 164 HE1 TYR 24 HE1 TYR 24 -8.999 0.879 -2.614 165 HE2 TYR 24 HE2 TYR 24 -6.544 -1.628 -0.187 166 HH TYR 24 HH TYR 24 -8.502 -2.256 -1.017 167 H ALA 25 H ALA 25 -4.612 5.509 -2.249 168 HA ALA 25 HA ALA 25 -7.292 6.500 -2.891 169 HB1 ALA 25 HB1 ALA 25 -5.886 8.194 -4.252 170 HB2 ALA 25 HB2 ALA 25 -5.920 8.323 -2.493 171 HB3 ALA 25 HB3 ALA 25 -4.534 7.584 -3.296 172 H PHE 26 H PHE 26 -8.297 6.001 -4.733 173 HA PHE 26 HA PHE 26 -6.748 4.607 -6.815 174 HB2 PHE 26 HB2 PHE 26 -9.426 4.112 -5.642 175 HB3 PHE 26 3HB PHE 26 -9.275 3.866 -7.378 176 HD1 PHE 26 HD1 PHE 26 -6.725 3.246 -4.760 177 HD2 PHE 26 HD2 PHE 26 -9.422 1.549 -7.583 178 HE1 PHE 26 HE1 PHE 26 -5.746 1.026 -4.355 179 HE2 PHE 26 HE2 PHE 26 -8.447 -0.674 -7.181 180 HZ PHE 26 HZ PHE 26 -6.607 -0.938 -5.565 181 H VAL 27 H VAL 27 -6.936 5.238 -8.919 182 HA VAL 27 HA VAL 27 -8.865 7.328 -9.604 183 HB VAL 27 HB VAL 27 -5.884 7.620 -9.728 184 HG11 VAL 27 HG11 VAL 27 -6.468 7.975 -12.000 185 HG12 VAL 27 HG12 VAL 27 -7.894 8.916 -11.556 186 HG13 VAL 27 HG13 VAL 27 -6.281 9.570 -11.271 187 HG21 VAL 27 HG21 VAL 27 -7.954 9.711 -9.136 188 HG22 VAL 27 HG22 VAL 27 -7.399 8.582 -7.901 189 HG23 VAL 27 HG23 VAL 27 -6.253 9.678 -8.671 190 H LYS 28 H LYS 28 -9.580 7.240 -11.678 191 HA LYS 28 HA LYS 28 -8.212 5.424 -13.539 192 HB2 LYS 28 HB2 LYS 28 -11.053 5.326 -12.614 193 HB3 LYS 28 HB3 LYS 28 -10.686 4.866 -14.271 194 HG2 LYS 28 HG2 LYS 28 -8.943 3.628 -12.275 195 HG3 LYS 28 HG3 LYS 28 -10.646 3.189 -12.130 196 HD2 LYS 28 HD2 LYS 28 -9.871 3.141 -14.889 197 HD3 LYS 28 HD3 LYS 28 -8.741 2.172 -13.941 198 HE2 LYS 28 HE2 LYS 28 -10.275 0.590 -13.517 199 HE3 LYS 28 HE3 LYS 28 -11.550 1.771 -13.224 200 HZ1 LYS 28 HZ1 LYS 28 -12.063 0.434 -15.147 201 HZ2 LYS 28 HZ2 LYS 28 -10.599 0.850 -15.882 202 HZ3 LYS 28 HZ3 LYS 28 -11.784 2.031 -15.630 203 H ASP 29 H ASP 29 -8.013 6.192 -15.555 204 HA ASP 29 HA ASP 29 -8.221 7.530 -17.387 205 HB2 ASP 29 HB2 ASP 29 -10.773 7.054 -16.734 206 HB3 ASP 29 3HB ASP 29 -10.744 8.791 -16.444 207 H GLY 30 H GLY 30 -7.451 8.488 -14.494 208 HA2 GLY 30 HA1 GLY 30 -6.177 10.371 -13.940 209 HA3 GLY 30 HA2 GLY 30 -6.807 11.188 -15.363 210 H LYS 31 H LYS 31 -8.930 9.609 -13.099 211 HA LYS 31 HA LYS 31 -9.536 12.091 -11.713 212 HB2 LYS 31 HB2 LYS 31 -12.009 11.773 -12.251 213 HB3 LYS 31 HB3 LYS 31 -10.995 12.418 -13.536 214 HG2 LYS 31 HG2 LYS 31 -10.824 10.066 -14.422 215 HG3 LYS 31 HG3 LYS 31 -12.084 9.631 -13.266 216 HD2 LYS 31 HD2 LYS 31 -13.365 10.094 -15.109 217 HD3 LYS 31 HD3 LYS 31 -13.323 11.687 -14.351 218 HE2 LYS 31 HE2 LYS 31 -11.429 12.296 -15.811 219 HE3 LYS 31 HE3 LYS 31 -11.552 10.723 -16.596 220 HZ1 LYS 31 HZ1 LYS 31 -13.585 12.883 -16.602 221 HZ2 LYS 31 HZ2 LYS 31 -13.860 11.329 -17.210 222 HZ3 LYS 31 HZ3 LYS 31 -12.690 12.321 -17.923 223 H VAL 32 H VAL 32 -11.036 11.776 -9.915 224 HA VAL 32 HA VAL 32 -10.400 9.592 -8.325 225 HB VAL 32 HB VAL 32 -12.886 11.299 -8.135 226 HG11 VAL 32 HG11 VAL 32 -12.703 10.706 -5.697 227 HG12 VAL 32 HG12 VAL 32 -13.171 9.380 -6.763 228 HG13 VAL 32 HG13 VAL 32 -11.517 9.487 -6.160 229 HG21 VAL 32 HG21 VAL 32 -10.829 11.955 -6.250 230 HG22 VAL 32 HG22 VAL 32 -10.181 12.030 -7.889 231 HG23 VAL 32 HG23 VAL 32 -11.602 12.982 -7.457 232 H HIS 33 H HIS 33 -10.941 7.527 -8.476 233 HA HIS 33 HA HIS 33 -13.426 6.813 -9.879 234 HB2 HIS 33 HB2 HIS 33 -11.168 5.973 -10.736 235 HB3 HIS 33 3HB HIS 33 -11.129 4.948 -9.304 236 HD1 HIS 33 HD1 HIS 33 -13.579 5.623 -12.146 237 HD2 HIS 33 HD2 HIS 33 -12.162 2.507 -9.791 238 HE1 HIS 33 HE1 HIS 33 -14.718 3.555 -13.011 239 H TYR 34 H TYR 34 -11.397 5.792 -7.136 240 HA TYR 34 HA TYR 34 -13.858 4.990 -5.737 241 HB2 TYR 34 HB2 TYR 34 -11.281 3.457 -6.003 242 HB3 TYR 34 3HB TYR 34 -12.394 3.164 -4.672 243 HD1 TYR 34 HD1 TYR 34 -15.007 3.373 -5.988 244 HD2 TYR 34 HD2 TYR 34 -11.405 1.567 -7.352 245 HE1 TYR 34 HE1 TYR 34 -16.315 1.853 -7.411 246 HE2 TYR 34 HE2 TYR 34 -12.702 0.043 -8.781 247 HH TYR 34 HH TYR 34 -14.735 -0.406 -9.624 248 H GLU 35 H GLU 35 -13.492 4.771 -3.339 249 HA GLU 35 HA GLU 35 -11.301 5.974 -2.052 250 HB2 GLU 35 HB2 GLU 35 -12.553 8.053 -1.263 251 HB3 GLU 35 HB3 GLU 35 -11.927 8.077 -2.906 252 HG2 GLU 35 HG2 GLU 35 -13.953 8.320 -3.782 253 HG3 GLU 35 HG3 GLU 35 -14.631 7.040 -2.778 254 H ASP 36 H ASP 36 -11.452 4.439 -0.504 255 HA ASP 36 HA ASP 36 -13.177 4.792 1.665 256 HB2 ASP 36 HB2 ASP 36 -14.437 3.424 -0.438 257 HB3 ASP 36 3HB ASP 36 -14.009 2.183 0.738 258 H ALA 37 H ALA 37 -12.224 3.912 3.391 259 HA ALA 37 HA ALA 37 -10.117 1.920 2.923 260 HB1 ALA 37 HB1 ALA 37 -10.475 3.512 5.442 261 HB2 ALA 37 HB2 ALA 37 -9.025 2.707 4.842 262 HB3 ALA 37 HB3 ALA 37 -9.624 4.159 4.040 263 H ASP 38 H ASP 38 -9.747 0.493 4.961 264 HA ASP 38 HA ASP 38 -12.134 -0.258 6.390 265 HB2 ASP 38 HB2 ASP 38 -11.066 -1.908 4.129 266 HB3 ASP 38 3HB ASP 38 -11.793 -2.708 5.519 267 H VAL 39 H VAL 39 -11.662 -2.322 7.722 268 HA VAL 39 HA VAL 39 -8.848 -2.259 8.597 269 HB VAL 39 HB VAL 39 -9.723 -2.802 10.896 270 HG11 VAL 39 HG11 VAL 39 -9.131 -0.659 11.079 271 HG12 VAL 39 HG12 VAL 39 -9.779 -0.261 9.485 272 HG13 VAL 39 HG13 VAL 39 -10.843 -0.280 10.893 273 HG21 VAL 39 HG21 VAL 39 -12.353 -1.836 9.786 274 HG22 VAL 39 HG22 VAL 39 -11.976 -3.530 10.092 275 HG23 VAL 39 HG23 VAL 39 -12.018 -2.381 11.430 276 H GLY 40 H GLY 40 -8.219 -4.237 9.862 277 HA2 GLY 40 HA1 GLY 40 -9.142 -6.586 8.393 278 HA3 GLY 40 HA2 GLY 40 -7.709 -6.488 9.405 279 H LYS 41 H LYS 41 -8.096 -8.271 10.653 280 HA LYS 41 HA LYS 41 -9.675 -7.989 12.937 281 HB2 LYS 41 HB2 LYS 41 -11.310 -9.895 12.404 282 HB3 LYS 41 HB3 LYS 41 -11.657 -8.310 11.726 283 HG2 LYS 41 HG2 LYS 41 -12.061 -9.874 10.011 284 HG3 LYS 41 HG3 LYS 41 -10.529 -9.090 9.614 285 HD2 LYS 41 HD2 LYS 41 -9.279 -10.974 10.347 286 HD3 LYS 41 HD3 LYS 41 -10.702 -11.710 11.090 287 HE2 LYS 41 HE2 LYS 41 -10.944 -12.855 9.193 288 HE3 LYS 41 HE3 LYS 41 -11.452 -11.336 8.455 289 HZ1 LYS 41 HZ1 LYS 41 -8.834 -12.674 8.331 290 HZ2 LYS 41 HZ2 LYS 41 -8.923 -10.996 8.138 291 HZ3 LYS 41 HZ3 LYS 41 -9.759 -12.014 7.078 292 H ASN 42 H ASN 42 -7.055 -8.849 12.123 293 HA ASN 42 HA ASN 42 -7.044 -11.687 12.872 294 HB2 ASN 42 HB2 ASN 42 -4.685 -10.070 11.908 295 HB3 ASN 42 3HB ASN 42 -4.848 -11.822 11.955 296 HD21 ASN 42 HD21 ASN 42 -7.151 -12.370 10.798 297 HD22 ASN 42 HD22 ASN 42 -7.211 -11.780 9.176 298 HA PRO 43 HA PRO 43 -5.581 -10.846 16.931 299 HB2 PRO 43 HB2 PRO 43 -4.151 -13.106 17.401 300 HB3 PRO 43 HB3 PRO 43 -5.919 -13.077 17.366 301 HG2 PRO 43 HG2 PRO 43 -3.994 -13.919 15.232 302 HG3 PRO 43 HG3 PRO 43 -5.507 -14.692 15.744 303 HD2 PRO 43 HD2 PRO 43 -5.341 -13.131 13.537 304 HD3 PRO 43 HD3 PRO 43 -6.811 -13.231 14.528 305 H ALA 44 H ALA 44 -3.074 -12.268 14.822 306 HA ALA 44 HA ALA 44 -0.885 -11.186 16.239 307 HB1 ALA 44 HB1 ALA 44 -1.188 -12.987 14.195 308 HB2 ALA 44 HB2 ALA 44 -0.406 -11.623 13.396 309 HB3 ALA 44 HB3 ALA 44 0.349 -12.372 14.803 310 H ALA 45 H ALA 45 -2.687 -10.054 13.409 311 HA ALA 45 HA ALA 45 -1.042 -7.828 12.845 312 HB1 ALA 45 HB1 ALA 45 -2.606 -8.757 11.214 313 HB2 ALA 45 HB2 ALA 45 -3.963 -8.234 12.211 314 HB3 ALA 45 HB3 ALA 45 -2.898 -7.038 11.473 315 H ALA 46 H ALA 46 -3.203 -8.426 15.381 316 HA ALA 46 HA ALA 46 -3.688 -5.579 15.875 317 HB1 ALA 46 HB1 ALA 46 -5.431 -7.567 16.058 318 HB2 ALA 46 HB2 ALA 46 -4.766 -7.667 17.689 319 HB3 ALA 46 HB3 ALA 46 -5.499 -6.164 17.126 320 H THR 47 H THR 47 -1.112 -7.201 16.282 321 HA THR 47 HA THR 47 -0.692 -6.470 19.107 322 HB THR 47 HB THR 47 0.762 -8.250 19.426 323 HG1 THR 47 HG1 THR 47 2.196 -8.523 17.898 324 HG21 THR 47 HG21 THR 47 -0.986 -9.523 17.343 325 HG22 THR 47 HG22 THR 47 -1.660 -8.922 18.858 326 HG23 THR 47 HG23 THR 47 -0.432 -10.186 18.881 327 H MET 48 H MET 48 0.267 -5.980 15.858 328 HA MET 48 HA MET 48 2.799 -4.739 16.614 329 HB2 MET 48 HB2 MET 48 1.548 -5.209 13.902 330 HB3 MET 48 HB3 MET 48 3.126 -4.479 14.166 331 HG2 MET 48 HG2 MET 48 2.465 -7.208 15.210 332 HG3 MET 48 HG3 MET 48 3.031 -6.955 13.561 333 HE1 MET 48 HE1 MET 48 5.273 -5.784 12.962 334 HE2 MET 48 HE2 MET 48 5.124 -4.442 14.095 335 HE3 MET 48 HE3 MET 48 6.577 -5.442 14.100 336 H ARG 49 H ARG 49 0.010 -3.673 17.190 337 HA ARG 49 HA ARG 49 -0.950 -1.619 17.393 338 HB2 ARG 49 HB2 ARG 49 1.606 -0.566 16.169 339 HB3 ARG 49 HB3 ARG 49 0.410 0.370 17.055 340 HG2 ARG 49 HG2 ARG 49 0.979 -1.453 18.920 341 HG3 ARG 49 HG3 ARG 49 2.513 -1.449 18.046 342 HD2 ARG 49 HD2 ARG 49 3.046 0.631 18.736 343 HD3 ARG 49 HD3 ARG 49 1.384 1.205 18.623 344 HE ARG 49 HE ARG 49 1.334 -0.435 20.777 345 HH11 ARG 49 HH11 ARG 49 3.339 2.257 19.854 346 HH12 ARG 49 HH12 ARG 49 3.643 2.758 21.484 347 HH21 ARG 49 HH21 ARG 49 1.726 0.214 22.928 348 HH22 ARG 49 HH22 ARG 49 2.726 1.595 23.232 349 H ASN 50 H ASN 50 0.976 -0.926 14.496 350 HA ASN 50 HA ASN 50 -1.306 -1.265 12.755 351 HB2 ASN 50 HB2 ASN 50 -1.130 1.112 11.909 352 HB3 ASN 50 3HB ASN 50 -1.838 0.935 13.510 353 HD21 ASN 50 HD21 ASN 50 -1.138 2.315 14.957 354 HD22 ASN 50 HD22 ASN 50 0.406 3.090 14.968 355 H VAL 51 H VAL 51 1.622 -2.037 13.193 356 HA VAL 51 HA VAL 51 3.044 -1.024 10.930 357 HB VAL 51 HB VAL 51 3.645 -3.532 12.499 358 HG11 VAL 51 HG11 VAL 51 4.783 -2.683 10.191 359 HG12 VAL 51 HG12 VAL 51 5.812 -1.889 11.385 360 HG13 VAL 51 HG13 VAL 51 5.614 -3.641 11.416 361 HG21 VAL 51 HG21 VAL 51 3.660 -0.808 13.356 362 HG22 VAL 51 HG22 VAL 51 4.111 -2.256 14.257 363 HG23 VAL 51 HG23 VAL 51 5.318 -1.404 13.294 364 H ALA 52 H ALA 52 1.453 -4.120 11.658 365 HA ALA 52 HA ALA 52 1.993 -5.324 9.162 366 HB1 ALA 52 HB1 ALA 52 0.935 -6.176 11.531 367 HB2 ALA 52 HB2 ALA 52 -0.471 -6.200 10.467 368 HB3 ALA 52 HB3 ALA 52 0.975 -7.114 10.038 369 H GLY 53 H GLY 53 -0.916 -3.676 10.398 370 HA2 GLY 53 HA1 GLY 53 -2.451 -3.951 8.055 371 HA3 GLY 53 HA2 GLY 53 -2.705 -2.743 9.306 372 H GLU 54 H GLU 54 0.178 -1.853 8.794 373 HA GLU 54 HA GLU 54 -0.449 0.293 7.071 374 HB2 GLU 54 HB2 GLU 54 1.800 -0.561 8.678 375 HB3 GLU 54 HB3 GLU 54 2.343 0.073 7.131 376 HG2 GLU 54 HG2 GLU 54 1.644 2.183 7.586 377 HG3 GLU 54 HG3 GLU 54 0.316 1.643 8.611 378 H ILE 55 H ILE 55 1.757 -2.469 6.589 379 HA ILE 55 HA ILE 55 2.257 -1.904 3.863 380 HB ILE 55 HB ILE 55 2.639 -4.368 5.542 381 HG12 ILE 55 HG12 ILE 55 5.009 -3.453 4.291 382 HG13 ILE 55 HG13 ILE 55 4.175 -2.028 4.902 383 HG21 ILE 55 HG21 ILE 55 2.335 -5.477 3.574 384 HG22 ILE 55 HG22 ILE 55 2.797 -4.088 2.591 385 HG23 ILE 55 HG23 ILE 55 4.036 -5.047 3.400 386 HD11 ILE 55 HD11 ILE 55 5.814 -3.752 6.326 387 HD12 ILE 55 HD12 ILE 55 4.769 -2.492 6.983 388 HD13 ILE 55 HD13 ILE 55 4.179 -4.148 6.854 389 H ALA 56 H ALA 56 -0.220 -3.730 5.514 390 HA ALA 56 HA ALA 56 -1.215 -5.381 3.573 391 HB1 ALA 56 HB1 ALA 56 -2.612 -3.773 5.686 392 HB2 ALA 56 HB2 ALA 56 -3.498 -4.853 4.608 393 HB3 ALA 56 HB3 ALA 56 -2.244 -5.497 5.668 394 H ALA 57 H ALA 57 -1.498 -1.895 3.776 395 HA ALA 57 HA ALA 57 -3.539 -1.478 1.911 396 HB1 ALA 57 HB1 ALA 57 -2.788 0.320 3.307 397 HB2 ALA 57 HB2 ALA 57 -1.169 0.246 2.610 398 HB3 ALA 57 HB3 ALA 57 -2.529 0.777 1.622 399 H ALA 58 H ALA 58 -0.013 -1.306 1.370 400 HA ALA 58 HA ALA 58 -0.046 -0.957 -1.371 401 HB1 ALA 58 HB1 ALA 58 2.160 -2.605 -0.848 402 HB2 ALA 58 HB2 ALA 58 2.125 -0.844 -0.923 403 HB3 ALA 58 HB3 ALA 58 1.896 -1.665 0.620 404 H LEU 59 H LEU 59 -0.330 -3.930 0.495 405 HA LEU 59 HA LEU 59 -0.017 -5.788 -1.562 406 HB2 LEU 59 HB2 LEU 59 -1.942 -6.098 0.727 407 HB3 LEU 59 3HB LEU 59 -1.076 -7.364 -0.141 408 HG LEU 59 HG LEU 59 -0.063 -5.480 1.957 409 HD11 LEU 59 HD11 LEU 59 -0.697 -8.276 1.753 410 HD12 LEU 59 HD12 LEU 59 -0.284 -7.320 3.175 411 HD13 LEU 59 HD13 LEU 59 0.993 -8.055 2.206 412 HD21 LEU 59 HD21 LEU 59 2.181 -6.761 1.240 413 HD22 LEU 59 HD22 LEU 59 1.744 -5.163 0.638 414 HD23 LEU 59 HD23 LEU 59 1.418 -6.593 -0.341 415 H TYR 60 H TYR 60 -3.146 -4.819 -0.148 416 HA TYR 60 HA TYR 60 -4.729 -5.874 -2.185 417 HB2 TYR 60 HB2 TYR 60 -5.485 -3.434 -0.586 418 HB3 TYR 60 3HB TYR 60 -6.543 -4.686 -1.226 419 HD1 TYR 60 HD1 TYR 60 -4.893 -7.077 -0.340 420 HD2 TYR 60 HD2 TYR 60 -6.088 -3.541 1.700 421 HE1 TYR 60 HE1 TYR 60 -4.773 -8.279 1.803 422 HE2 TYR 60 HE2 TYR 60 -5.969 -4.732 3.849 423 HH TYR 60 HH TYR 60 -6.080 -7.056 4.674 424 H ALA 61 H ALA 61 -3.076 -2.804 -1.936 425 HA ALA 61 HA ALA 61 -4.392 -1.348 -3.911 426 HB1 ALA 61 HB1 ALA 61 -2.771 -0.328 -2.431 427 HB2 ALA 61 HB2 ALA 61 -1.474 -1.285 -3.149 428 HB3 ALA 61 HB3 ALA 61 -2.302 -0.060 -4.111 429 H VAL 62 H VAL 62 -1.799 -3.731 -4.187 430 HA VAL 62 HA VAL 62 -1.454 -3.353 -7.009 431 HB VAL 62 HB VAL 62 -0.545 -5.629 -5.240 432 HG11 VAL 62 HG11 VAL 62 -0.666 -6.221 -7.631 433 HG12 VAL 62 HG12 VAL 62 0.388 -4.855 -8.003 434 HG13 VAL 62 HG13 VAL 62 0.989 -6.194 -7.025 435 HG21 VAL 62 HG21 VAL 62 1.156 -3.389 -6.288 436 HG22 VAL 62 HG22 VAL 62 0.284 -3.251 -4.761 437 HG23 VAL 62 HG23 VAL 62 1.496 -4.515 -4.973 438 H LYS 63 H LYS 63 -3.066 -5.766 -4.970 439 HA LYS 63 HA LYS 63 -3.846 -7.591 -6.882 440 HB2 LYS 63 HB2 LYS 63 -5.508 -6.671 -4.529 441 HB3 LYS 63 HB3 LYS 63 -5.668 -8.201 -5.382 442 HG2 LYS 63 HG2 LYS 63 -3.465 -8.882 -4.626 443 HG3 LYS 63 HG3 LYS 63 -3.246 -7.327 -3.820 444 HD2 LYS 63 HD2 LYS 63 -4.092 -8.316 -2.003 445 HD3 LYS 63 HD3 LYS 63 -5.654 -8.230 -2.822 446 HE2 LYS 63 HE2 LYS 63 -4.799 -10.468 -3.929 447 HE3 LYS 63 HE3 LYS 63 -3.806 -10.538 -2.473 448 HZ1 LYS 63 HZ1 LYS 63 -6.684 -10.831 -2.774 449 HZ2 LYS 63 HZ2 LYS 63 -6.167 -9.972 -1.411 450 HZ3 LYS 63 HZ3 LYS 63 -5.630 -11.557 -1.665 451 H LYS 64 H LYS 64 -5.603 -4.676 -5.841 452 HA LYS 64 HA LYS 64 -7.652 -5.017 -7.821 453 HB2 LYS 64 HB2 LYS 64 -7.376 -3.540 -5.476 454 HB3 LYS 64 HB3 LYS 64 -7.419 -2.325 -6.747 455 HG2 LYS 64 HG2 LYS 64 -9.592 -2.656 -7.155 456 HG3 LYS 64 HG3 LYS 64 -9.453 -4.410 -7.020 457 HD2 LYS 64 HD2 LYS 64 -9.118 -3.779 -4.452 458 HD3 LYS 64 HD3 LYS 64 -10.075 -2.381 -4.947 459 HE2 LYS 64 HE2 LYS 64 -11.872 -3.664 -4.643 460 HE3 LYS 64 HE3 LYS 64 -11.387 -4.520 -6.105 461 HZ1 LYS 64 HZ1 LYS 64 -11.711 -6.116 -4.400 462 HZ2 LYS 64 HZ2 LYS 64 -10.754 -5.255 -3.302 463 HZ3 LYS 64 HZ3 LYS 64 -10.041 -5.997 -4.645 464 H ALA 65 H ALA 65 -4.641 -3.265 -7.578 465 HA ALA 65 HA ALA 65 -4.910 -1.373 -9.571 466 HB1 ALA 65 HB1 ALA 65 -2.955 -1.286 -8.283 467 HB2 ALA 65 HB2 ALA 65 -2.533 -2.959 -8.649 468 HB3 ALA 65 HB3 ALA 65 -2.404 -1.724 -9.900 469 H SER 66 H SER 66 -4.313 -4.824 -9.855 470 HA SER 66 HA SER 66 -3.710 -4.780 -12.643 471 HB2 SER 66 HB2 SER 66 -2.885 -6.659 -11.484 472 HB3 SER 66 3HB SER 66 -4.434 -6.963 -10.696 473 HG SER 66 HG SER 66 -4.031 -8.421 -12.419 474 H GLN 67 H GLN 67 -6.630 -4.951 -10.760 475 HA GLN 67 HA GLN 67 -8.329 -5.929 -12.819 476 HB2 GLN 67 HB2 GLN 67 -8.889 -4.427 -10.263 477 HB3 GLN 67 HB3 GLN 67 -10.160 -4.988 -11.342 478 HG2 GLN 67 HG2 GLN 67 -8.841 -7.281 -11.038 479 HG3 GLN 67 HG3 GLN 67 -8.408 -6.510 -9.512 480 HE21 GLN 67 HE21 GLN 67 -10.355 -5.456 -8.398 481 HE22 GLN 67 HE22 GLN 67 -11.787 -6.420 -8.326 482 H LEU 68 H LEU 68 -7.394 -2.709 -11.731 483 HA LEU 68 HA LEU 68 -9.161 -1.415 -13.627 484 HB2 LEU 68 HB2 LEU 68 -7.003 -0.136 -11.970 485 HB3 LEU 68 3HB LEU 68 -8.402 0.642 -12.706 486 HG LEU 68 HG LEU 68 -9.438 -1.299 -10.969 487 HD11 LEU 68 HD11 LEU 68 -7.753 0.353 -9.222 488 HD12 LEU 68 HD12 LEU 68 -6.902 -0.912 -10.107 489 HD13 LEU 68 HD13 LEU 68 -8.258 -1.329 -9.059 490 HD21 LEU 68 HD21 LEU 68 -10.154 0.728 -9.686 491 HD22 LEU 68 HD22 LEU 68 -10.531 0.771 -11.409 492 HD23 LEU 68 HD23 LEU 68 -9.165 1.695 -10.781 493 H GLY 69 H GLY 69 -6.429 -3.060 -14.048 494 HA2 GLY 69 HA1 GLY 69 -4.805 -3.101 -15.669 495 HA3 GLY 69 HA2 GLY 69 -5.871 -2.056 -16.595 496 H VAL 70 H VAL 70 -4.844 -0.915 -13.518 497 HA VAL 70 HA VAL 70 -3.031 0.978 -14.859 498 HB VAL 70 HB VAL 70 -3.501 2.577 -13.149 499 HG11 VAL 70 HG11 VAL 70 -5.318 1.815 -14.977 500 HG12 VAL 70 HG12 VAL 70 -6.263 1.598 -13.502 501 HG13 VAL 70 HG13 VAL 70 -5.556 3.171 -13.875 502 HG21 VAL 70 HG21 VAL 70 -3.799 1.789 -11.081 503 HG22 VAL 70 HG22 VAL 70 -5.492 1.575 -11.528 504 HG23 VAL 70 HG23 VAL 70 -4.365 0.225 -11.667 505 H LYS 71 H LYS 71 -1.457 1.965 -13.094 506 HA LYS 71 HA LYS 71 -0.300 -0.243 -11.530 507 HB2 LYS 71 HB2 LYS 71 1.309 1.736 -13.152 508 HB3 LYS 71 HB3 LYS 71 1.931 0.373 -12.232 509 HG2 LYS 71 HG2 LYS 71 1.907 -0.698 -14.189 510 HG3 LYS 71 HG3 LYS 71 0.171 -0.854 -13.909 511 HD2 LYS 71 HD2 LYS 71 -0.191 1.238 -15.161 512 HD3 LYS 71 HD3 LYS 71 1.543 1.330 -15.477 513 HE2 LYS 71 HE2 LYS 71 1.469 -0.718 -16.739 514 HE3 LYS 71 HE3 LYS 71 -0.221 -0.969 -16.309 515 HZ1 LYS 71 HZ1 LYS 71 0.913 0.657 -18.381 516 HZ2 LYS 71 HZ2 LYS 71 -0.214 1.498 -17.440 517 HZ3 LYS 71 HZ3 LYS 71 -0.663 0.063 -18.216 518 H ILE 72 H ILE 72 1.801 1.002 -10.371 519 HA ILE 72 HA ILE 72 0.773 3.454 -9.141 520 HB ILE 72 HB ILE 72 1.331 2.647 -6.890 521 HG12 ILE 72 HG12 ILE 72 1.893 0.065 -8.351 522 HG13 ILE 72 HG13 ILE 72 2.993 0.986 -7.332 523 HG21 ILE 72 HG21 ILE 72 -0.747 1.864 -6.598 524 HG22 ILE 72 HG22 ILE 72 -0.921 2.122 -8.332 525 HG23 ILE 72 HG23 ILE 72 -0.504 0.523 -7.717 526 HD11 ILE 72 HD11 ILE 72 0.584 -0.583 -6.459 527 HD12 ILE 72 HD12 ILE 72 2.280 -0.936 -6.125 528 HD13 ILE 72 HD13 ILE 72 1.512 0.477 -5.399 529 H ARG 73 H ARG 73 2.330 4.878 -8.449 530 HA ARG 73 HA ARG 73 5.013 4.381 -9.435 531 HB2 ARG 73 HB2 ARG 73 3.442 6.612 -9.400 532 HB3 ARG 73 HB3 ARG 73 4.482 6.902 -8.010 533 HG2 ARG 73 HG2 ARG 73 6.343 6.181 -9.783 534 HG3 ARG 73 HG3 ARG 73 5.133 6.834 -10.889 535 HD2 ARG 73 HD2 ARG 73 5.551 8.939 -10.266 536 HD3 ARG 73 HD3 ARG 73 5.553 8.518 -8.554 537 HE ARG 73 HE ARG 73 7.837 8.783 -10.277 538 HH11 ARG 73 HH11 ARG 73 6.596 7.316 -7.374 539 HH12 ARG 73 HH12 ARG 73 8.157 7.123 -6.648 540 HH21 ARG 73 HH21 ARG 73 9.898 8.533 -9.332 541 HH22 ARG 73 HH22 ARG 73 10.035 7.816 -7.762 542 H ILE 74 H ILE 74 6.470 3.438 -8.180 543 HA ILE 74 HA ILE 74 6.940 4.386 -5.502 544 HB ILE 74 HB ILE 74 6.906 1.901 -4.677 545 HG12 ILE 74 HG12 ILE 74 4.750 1.836 -6.797 546 HG13 ILE 74 HG13 ILE 74 6.300 1.011 -6.930 547 HG21 ILE 74 HG21 ILE 74 4.149 2.917 -4.860 548 HG22 ILE 74 HG22 ILE 74 5.112 2.490 -3.446 549 HG23 ILE 74 HG23 ILE 74 5.344 4.052 -4.233 550 HD11 ILE 74 HD11 ILE 74 5.731 -0.589 -5.412 551 HD12 ILE 74 HD12 ILE 74 4.608 0.465 -4.552 552 HD13 ILE 74 HD13 ILE 74 4.148 -0.237 -6.104 553 H LEU 75 H LEU 75 8.276 4.001 -8.167 554 HA LEU 75 HA LEU 75 10.290 2.011 -7.827 555 HB2 LEU 75 HB2 LEU 75 11.390 3.148 -9.731 556 HB3 LEU 75 3HB LEU 75 9.711 2.708 -10.037 557 HG LEU 75 HG LEU 75 9.880 5.409 -9.052 558 HD11 LEU 75 HD11 LEU 75 11.267 5.051 -11.679 559 HD12 LEU 75 HD12 LEU 75 12.178 5.070 -10.168 560 HD13 LEU 75 HD13 LEU 75 11.208 6.468 -10.631 561 HD21 LEU 75 HD21 LEU 75 7.966 4.564 -10.227 562 HD22 LEU 75 HD22 LEU 75 8.952 4.153 -11.631 563 HD23 LEU 75 HD23 LEU 75 8.700 5.843 -11.195 564 H HIS 76 H HIS 76 11.696 2.143 -6.199 565 HA HIS 76 HA HIS 76 13.325 2.915 -4.811 566 HB2 HIS 76 HB2 HIS 76 13.749 4.240 -7.341 567 HB3 HIS 76 3HB HIS 76 14.227 5.294 -6.013 568 HD1 HIS 76 HD1 HIS 76 14.718 1.566 -6.661 569 HD2 HIS 76 HD2 HIS 76 16.867 4.961 -5.603 570 HE1 HIS 76 HE1 HIS 76 17.085 0.785 -6.322 571 H ASP 77 H ASP 77 10.496 4.044 -4.809 572 HA ASP 77 HA ASP 77 10.499 6.713 -3.994 573 HB2 ASP 77 HB2 ASP 77 8.329 6.256 -2.995 574 HB3 ASP 77 3HB ASP 77 8.458 5.425 -4.543 575 H TYR 78 H TYR 78 10.541 7.707 -1.970 576 HA TYR 78 HA TYR 78 12.127 6.277 0.015 577 HB2 TYR 78 HB2 TYR 78 11.305 9.180 0.090 578 HB3 TYR 78 3HB TYR 78 12.633 8.410 0.954 579 HD1 TYR 78 HD1 TYR 78 14.036 6.908 -1.069 580 HD2 TYR 78 HD2 TYR 78 12.199 10.734 -1.370 581 HE1 TYR 78 HE1 TYR 78 15.571 7.496 -2.899 582 HE2 TYR 78 HE2 TYR 78 13.728 11.332 -3.201 583 HH TYR 78 HH TYR 78 15.257 10.546 -4.652 584 H ALA 79 H ALA 79 9.564 5.304 -0.121 585 HA ALA 79 HA ALA 79 8.017 6.549 2.010 586 HB1 ALA 79 HB1 ALA 79 6.842 5.772 0.017 587 HB2 ALA 79 HB2 ALA 79 7.404 4.127 0.318 588 HB3 ALA 79 HB3 ALA 79 6.299 4.905 1.453 589 H GLY 80 H GLY 80 6.826 4.506 3.288 590 HA2 GLY 80 HA1 GLY 80 8.596 3.781 5.284 591 HA3 GLY 80 HA2 GLY 80 7.083 2.949 4.957 592 H ILE 81 H ILE 81 7.863 2.098 2.291 593 HA ILE 81 HA ILE 81 9.130 -0.347 2.988 594 HB ILE 81 HB ILE 81 8.162 0.872 0.446 595 HG12 ILE 81 HG12 ILE 81 6.782 -1.081 0.363 596 HG13 ILE 81 HG13 ILE 81 7.751 -1.895 1.586 597 HG21 ILE 81 HG21 ILE 81 10.203 -1.303 0.657 598 HG22 ILE 81 HG22 ILE 81 9.034 -1.302 -0.662 599 HG23 ILE 81 HG23 ILE 81 10.133 0.062 -0.457 600 HD11 ILE 81 HD11 ILE 81 6.085 0.561 2.071 601 HD12 ILE 81 HD12 ILE 81 5.592 -1.092 2.439 602 HD13 ILE 81 HD13 ILE 81 6.967 -0.373 3.277 603 H ALA 82 H ALA 82 10.250 2.667 1.617 604 HA ALA 82 HA ALA 82 12.718 1.799 0.593 605 HB1 ALA 82 HB1 ALA 82 12.813 4.480 1.700 606 HB2 ALA 82 HB2 ALA 82 12.957 3.941 0.027 607 HB3 ALA 82 HB3 ALA 82 11.363 4.202 0.735 608 H PHE 83 H PHE 83 11.727 2.775 3.826 609 HA PHE 83 HA PHE 83 14.456 2.443 4.817 610 HB2 PHE 83 HB2 PHE 83 12.421 4.202 5.496 611 HB3 PHE 83 3HB PHE 83 12.421 3.040 6.819 612 HD1 PHE 83 HD1 PHE 83 14.688 2.548 7.933 613 HD2 PHE 83 HD2 PHE 83 13.946 5.941 5.474 614 HE1 PHE 83 HE1 PHE 83 16.615 3.697 8.944 615 HE2 PHE 83 HE2 PHE 83 15.873 7.096 6.480 616 HZ PHE 83 HZ PHE 83 17.209 5.975 8.218 617 H TRP 84 H TRP 84 11.406 0.834 4.727 618 HA TRP 84 HA TRP 84 11.937 -0.933 6.933 619 HB2 TRP 84 HB2 TRP 84 9.647 -0.558 6.532 620 HB3 TRP 84 3HB TRP 84 9.818 -0.819 4.799 621 HD1 TRP 84 HD1 TRP 84 10.768 -3.129 7.778 622 HE1 TRP 84 HE1 TRP 84 9.666 -5.421 7.377 623 HE3 TRP 84 HE3 TRP 84 8.255 -2.076 3.453 624 HZ2 TRP 84 HZ2 TRP 84 7.959 -6.623 5.477 625 HZ3 TRP 84 HZ3 TRP 84 6.911 -3.852 2.406 626 HH2 TRP 84 HH2 TRP 84 6.768 -6.078 3.399 627 H ALA 85 H ALA 85 12.537 -0.910 3.513 628 HA ALA 85 HA ALA 85 13.100 -3.738 3.352 629 HB1 ALA 85 HB1 ALA 85 12.205 -2.241 1.473 630 HB2 ALA 85 HB2 ALA 85 13.876 -1.709 1.285 631 HB3 ALA 85 HB3 ALA 85 13.463 -3.410 1.070 632 H THR 86 H THR 86 14.757 -1.033 4.455 633 HA THR 86 HA THR 86 17.394 -1.624 3.602 634 HB THR 86 HB THR 86 18.149 -0.036 5.220 635 HG1 THR 86 HG1 THR 86 16.823 0.653 6.921 636 HG21 THR 86 HG21 THR 86 15.424 0.808 4.227 637 HG22 THR 86 HG22 THR 86 16.933 0.917 3.321 638 HG23 THR 86 HG23 THR 86 16.704 1.890 4.772 639 H GLY 87 H GLY 87 15.534 -2.492 6.489 640 HA2 GLY 87 HA1 GLY 87 17.745 -3.887 7.701 641 HA3 GLY 87 HA2 GLY 87 16.083 -3.862 8.274 642 H GLU 88 H GLU 88 18.175 -5.260 5.773 643 HA GLU 88 HA GLU 88 16.472 -7.171 4.746 644 HB2 GLU 88 HB2 GLU 88 19.449 -7.154 5.163 645 HB3 GLU 88 HB3 GLU 88 18.645 -8.540 4.439 646 HG2 GLU 88 HG2 GLU 88 18.226 -7.464 2.500 647 HG3 GLU 88 HG3 GLU 88 18.005 -5.901 3.285 648 H TRP 89 H TRP 89 18.146 -7.137 7.802 649 HA TRP 89 HA TRP 89 17.696 -9.909 8.389 650 HB2 TRP 89 HB2 TRP 89 19.029 -7.649 9.649 651 HB3 TRP 89 3HB TRP 89 18.132 -8.619 10.814 652 HD1 TRP 89 HD1 TRP 89 20.560 -9.424 7.877 653 HE1 TRP 89 HE1 TRP 89 22.178 -11.258 8.680 654 HE3 TRP 89 HE3 TRP 89 18.746 -10.089 12.609 655 HZ2 TRP 89 HZ2 TRP 89 22.626 -12.783 11.013 656 HZ3 TRP 89 HZ3 TRP 89 19.825 -11.756 14.063 657 HH2 TRP 89 HH2 TRP 89 21.724 -13.074 13.279 658 H LYS 90 H LYS 90 15.814 -10.763 8.944 659 HA LYS 90 HA LYS 90 13.479 -9.291 9.420 660 HB2 LYS 90 HB2 LYS 90 12.569 -11.501 10.256 661 HB3 LYS 90 HB3 LYS 90 13.244 -11.516 8.632 662 HG2 LYS 90 HG2 LYS 90 15.293 -12.150 10.524 663 HG3 LYS 90 HG3 LYS 90 13.890 -13.189 10.789 664 HD2 LYS 90 HD2 LYS 90 13.950 -13.999 8.569 665 HD3 LYS 90 HD3 LYS 90 15.075 -12.737 8.060 666 HE2 LYS 90 HE2 LYS 90 16.222 -14.198 10.230 667 HE3 LYS 90 HE3 LYS 90 15.665 -15.335 9.002 668 HZ1 LYS 90 HZ1 LYS 90 17.392 -12.988 8.434 669 HZ2 LYS 90 HZ2 LYS 90 16.968 -14.224 7.359 670 HZ3 LYS 90 HZ3 LYS 90 17.975 -14.558 8.677 671 H ALA 91 H ALA 91 13.316 -7.916 11.085 672 HA ALA 91 HA ALA 91 14.527 -8.418 13.636 673 HB1 ALA 91 HB1 ALA 91 13.814 -6.158 12.340 674 HB2 ALA 91 HB2 ALA 91 12.467 -6.327 13.466 675 HB3 ALA 91 HB3 ALA 91 14.120 -6.249 14.075 676 H LYS 92 H LYS 92 11.177 -8.261 12.448 677 HA LYS 92 HA LYS 92 10.124 -9.172 14.979 678 HB2 LYS 92 HB2 LYS 92 8.669 -8.885 12.348 679 HB3 LYS 92 HB3 LYS 92 7.954 -8.972 13.952 680 HG2 LYS 92 HG2 LYS 92 9.754 -6.750 13.013 681 HG3 LYS 92 HG3 LYS 92 7.989 -6.692 12.993 682 HD2 LYS 92 HD2 LYS 92 7.861 -6.764 15.346 683 HD3 LYS 92 HD3 LYS 92 9.548 -7.258 15.501 684 HE2 LYS 92 HE2 LYS 92 10.124 -5.017 14.429 685 HE3 LYS 92 HE3 LYS 92 8.447 -4.568 14.738 686 HZ1 LYS 92 HZ1 LYS 92 9.209 -5.519 17.126 687 HZ2 LYS 92 HZ2 LYS 92 9.255 -3.884 16.694 688 HZ3 LYS 92 HZ3 LYS 92 10.654 -4.827 16.583 689 H ASN 93 H ASN 93 10.933 -10.537 11.869 690 HA ASN 93 HA ASN 93 11.052 -12.681 11.121 691 HB2 ASN 93 HB2 ASN 93 10.595 -13.652 13.933 692 HB3 ASN 93 3HB ASN 93 11.558 -14.391 12.656 693 HD21 ASN 93 HD21 ASN 93 11.481 -12.109 15.220 694 HD22 ASN 93 HD22 ASN 93 13.148 -11.658 15.163 695 H GLU 94 H GLU 94 8.533 -11.355 11.135 696 HA GLU 94 HA GLU 94 6.822 -13.438 10.432 697 HB2 GLU 94 HB2 GLU 94 6.942 -13.078 13.232 698 HB3 GLU 94 HB3 GLU 94 5.400 -12.413 12.711 699 HG2 GLU 94 HG2 GLU 94 4.912 -14.538 11.557 700 HG3 GLU 94 HG3 GLU 94 6.419 -15.196 12.190 701 H PHE 95 H PHE 95 4.762 -12.706 9.699 702 HA PHE 95 HA PHE 95 3.264 -11.212 8.848 703 HB2 PHE 95 HB2 PHE 95 4.571 -9.007 10.425 704 HB3 PHE 95 3HB PHE 95 2.893 -9.143 9.913 705 HD1 PHE 95 HD1 PHE 95 2.217 -11.862 10.775 706 HD2 PHE 95 HD2 PHE 95 4.489 -8.840 12.731 707 HE1 PHE 95 HE1 PHE 95 1.631 -12.837 12.956 708 HE2 PHE 95 HE2 PHE 95 3.906 -9.812 14.915 709 HZ PHE 95 HZ PHE 95 2.474 -11.812 15.030 710 H THR 96 H THR 96 6.138 -9.166 9.346 711 HA THR 96 HA THR 96 6.031 -7.836 6.920 712 HB THR 96 HB THR 96 8.686 -7.810 7.313 713 HG1 THR 96 HG1 THR 96 7.734 -8.195 9.949 714 HG21 THR 96 HG21 THR 96 8.357 -5.855 8.728 715 HG22 THR 96 HG22 THR 96 6.702 -6.360 9.070 716 HG23 THR 96 HG23 THR 96 7.159 -5.883 7.436 717 H GLN 97 H GLN 97 7.827 -10.794 7.737 718 HA GLN 97 HA GLN 97 9.142 -11.191 5.334 719 HB2 GLN 97 HB2 GLN 97 7.960 -13.343 7.097 720 HB3 GLN 97 HB3 GLN 97 9.272 -13.543 5.944 721 HG2 GLN 97 HG2 GLN 97 10.748 -12.244 7.254 722 HG3 GLN 97 HG3 GLN 97 9.439 -11.680 8.291 723 HE21 GLN 97 HE21 GLN 97 8.108 -13.917 8.928 724 HE22 GLN 97 HE22 GLN 97 9.123 -15.012 9.797 725 H ALA 98 H ALA 98 5.876 -12.206 6.270 726 HA ALA 98 HA ALA 98 5.254 -13.625 3.929 727 HB1 ALA 98 HB1 ALA 98 3.790 -14.030 5.669 728 HB2 ALA 98 HB2 ALA 98 3.620 -12.319 6.065 729 HB3 ALA 98 HB3 ALA 98 2.835 -12.974 4.628 730 H TYR 99 H TYR 99 4.834 -10.213 4.776 731 HA TYR 99 HA TYR 99 3.334 -9.364 2.611 732 HB2 TYR 99 HB2 TYR 99 5.507 -7.921 4.136 733 HB3 TYR 99 3HB TYR 99 4.446 -7.136 2.972 734 HD1 TYR 99 HD1 TYR 99 1.960 -8.816 3.776 735 HD2 TYR 99 HD2 TYR 99 4.810 -6.581 6.007 736 HE1 TYR 99 HE1 TYR 99 0.287 -8.457 5.542 737 HE2 TYR 99 HE2 TYR 99 3.146 -6.216 7.781 738 HH TYR 99 HH TYR 99 -0.085 -6.666 7.387 739 H ALA 100 H ALA 100 6.769 -10.044 2.822 740 HA ALA 100 HA ALA 100 7.462 -8.911 0.300 741 HB1 ALA 100 HB1 ALA 100 9.073 -9.301 2.153 742 HB2 ALA 100 HB2 ALA 100 8.951 -11.033 1.837 743 HB3 ALA 100 HB3 ALA 100 9.600 -9.955 0.601 744 H LYS 101 H LYS 101 6.187 -11.970 1.333 745 HA LYS 101 HA LYS 101 6.880 -13.422 -1.033 746 HB2 LYS 101 HB2 LYS 101 4.616 -14.154 0.803 747 HB3 LYS 101 HB3 LYS 101 5.673 -15.216 -0.118 748 HG2 LYS 101 HG2 LYS 101 6.417 -13.610 2.317 749 HG3 LYS 101 HG3 LYS 101 6.212 -15.361 2.222 750 HD2 LYS 101 HD2 LYS 101 8.043 -14.796 0.223 751 HD3 LYS 101 HD3 LYS 101 8.508 -13.715 1.539 752 HE2 LYS 101 HE2 LYS 101 8.567 -15.625 3.074 753 HE3 LYS 101 HE3 LYS 101 8.113 -16.700 1.753 754 HZ1 LYS 101 HZ1 LYS 101 10.427 -15.053 1.224 755 HZ2 LYS 101 HZ2 LYS 101 10.184 -16.702 0.941 756 HZ3 LYS 101 HZ3 LYS 101 10.639 -16.167 2.479 757 H LEU 102 H LEU 102 3.930 -11.842 0.149 758 HA LEU 102 HA LEU 102 2.200 -12.548 -1.900 759 HB2 LEU 102 HB2 LEU 102 2.374 -10.305 0.026 760 HB3 LEU 102 3HB LEU 102 1.290 -10.100 -1.348 761 HG LEU 102 HG LEU 102 1.147 -12.380 0.622 762 HD11 LEU 102 HD11 LEU 102 0.637 -10.010 1.472 763 HD12 LEU 102 HD12 LEU 102 -0.565 -11.271 1.741 764 HD13 LEU 102 HD13 LEU 102 -0.791 -10.102 0.440 765 HD21 LEU 102 HD21 LEU 102 0.188 -12.297 -1.921 766 HD22 LEU 102 HD22 LEU 102 -1.178 -11.653 -1.011 767 HD23 LEU 102 HD23 LEU 102 -0.520 -13.240 -0.609 768 H MET 103 H MET 103 4.874 -10.377 -1.935 769 HA MET 103 HA MET 103 4.240 -8.599 -3.945 770 HB2 MET 103 HB2 MET 103 6.299 -8.339 -2.773 771 HB3 MET 103 HB3 MET 103 6.859 -9.932 -3.266 772 HG2 MET 103 HG2 MET 103 7.715 -9.153 -5.159 773 HG3 MET 103 HG3 MET 103 6.254 -8.243 -5.537 774 HE1 MET 103 HE1 MET 103 9.637 -7.744 -5.702 775 HE2 MET 103 HE2 MET 103 8.542 -6.730 -6.642 776 HE3 MET 103 HE3 MET 103 9.704 -5.988 -5.541 777 H ASN 104 H ASN 104 6.146 -11.567 -4.489 778 HA ASN 104 HA ASN 104 5.963 -11.565 -7.260 779 HB2 ASN 104 HB2 ASN 104 7.549 -12.990 -6.115 780 HB3 ASN 104 3HB ASN 104 6.244 -13.897 -5.354 781 HD21 ASN 104 HD21 ASN 104 4.891 -15.200 -6.700 782 HD22 ASN 104 HD22 ASN 104 5.505 -15.842 -8.182 783 H GLN 105 H GLN 105 3.685 -12.665 -4.857 784 HA GLN 105 HA GLN 105 2.057 -14.356 -6.287 785 HB2 GLN 105 HB2 GLN 105 1.909 -13.015 -3.849 786 HB3 GLN 105 HB3 GLN 105 0.480 -12.483 -4.726 787 HG2 GLN 105 HG2 GLN 105 1.213 -15.379 -4.432 788 HG3 GLN 105 HG3 GLN 105 0.223 -14.519 -3.254 789 HE21 GLN 105 HE21 GLN 105 -1.425 -13.015 -4.679 790 HE22 GLN 105 HE22 GLN 105 -2.409 -13.968 -5.730 791 H TYR 106 H TYR 106 1.955 -10.809 -6.216 792 HA TYR 106 HA TYR 106 0.433 -10.893 -8.732 793 HB2 TYR 106 HB2 TYR 106 -0.636 -8.697 -7.831 794 HB3 TYR 106 3HB TYR 106 -1.258 -10.245 -7.270 795 HD1 TYR 106 HD1 TYR 106 1.541 -7.955 -6.294 796 HD2 TYR 106 HD2 TYR 106 -1.795 -10.276 -5.036 797 HE1 TYR 106 HE1 TYR 106 1.948 -7.268 -3.968 798 HE2 TYR 106 HE2 TYR 106 -1.398 -9.594 -2.706 799 HH TYR 106 HH TYR 106 0.014 -8.567 -1.303 800 H ARG 107 H ARG 107 3.252 -10.624 -8.383 801 HA ARG 107 HA ARG 107 3.900 -7.824 -8.697 802 HB2 ARG 107 HB2 ARG 107 5.549 -9.091 -7.566 803 HB3 ARG 107 HB3 ARG 107 5.517 -10.362 -8.781 804 HG2 ARG 107 HG2 ARG 107 6.245 -7.788 -9.903 805 HG3 ARG 107 HG3 ARG 107 7.335 -8.300 -8.612 806 HD2 ARG 107 HD2 ARG 107 7.947 -10.248 -9.739 807 HD3 ARG 107 HD3 ARG 107 6.538 -10.190 -10.795 808 HE ARG 107 HE ARG 107 8.132 -7.922 -11.255 809 HH11 ARG 107 HH11 ARG 107 8.157 -11.369 -11.741 810 HH12 ARG 107 HH12 ARG 107 9.168 -11.295 -13.146 811 HH21 ARG 107 HH21 ARG 107 9.463 -7.811 -13.104 812 HH22 ARG 107 HH22 ARG 107 9.911 -9.272 -13.920 813 H GLY 108 H GLY 108 4.034 -6.737 -10.557 814 HA2 GLY 108 HA1 GLY 108 5.010 -7.428 -12.972 815 HA3 GLY 108 HA2 GLY 108 3.389 -8.108 -13.026 816 H ILE 109 H ILE 109 2.538 -5.791 -11.221 817 HA ILE 109 HA ILE 109 2.172 -3.872 -13.417 818 HB ILE 109 HB ILE 109 0.318 -2.985 -11.871 819 HG12 ILE 109 HG12 ILE 109 1.334 -4.614 -10.016 820 HG13 ILE 109 HG13 ILE 109 -0.376 -4.201 -10.060 821 HG21 ILE 109 HG21 ILE 109 -0.370 -4.013 -13.842 822 HG22 ILE 109 HG22 ILE 109 0.250 -5.588 -13.350 823 HG23 ILE 109 HG23 ILE 109 -1.202 -4.936 -12.590 824 HD11 ILE 109 HD11 ILE 109 0.099 -6.613 -9.710 825 HD12 ILE 109 HD12 ILE 109 -0.916 -6.271 -11.112 826 HD13 ILE 109 HD13 ILE 109 0.790 -6.661 -11.333 827 H TYR 110 H TYR 110 3.234 -4.190 -10.090 828 HA TYR 110 HA TYR 110 4.023 -1.352 -10.105 829 HB2 TYR 110 HB2 TYR 110 3.836 -1.316 -7.745 830 HB3 TYR 110 3HB TYR 110 2.408 -2.174 -8.312 831 HD1 TYR 110 HD1 TYR 110 2.375 -4.694 -8.175 832 HD2 TYR 110 HD2 TYR 110 5.366 -2.341 -6.271 833 HE1 TYR 110 HE1 TYR 110 2.935 -6.596 -6.719 834 HE2 TYR 110 HE2 TYR 110 5.934 -4.236 -4.810 835 HH TYR 110 HH TYR 110 5.106 -6.263 -4.018 836 H SER 111 H SER 111 5.955 -1.055 -8.454 837 HA SER 111 HA SER 111 7.937 -3.179 -8.770 838 HB2 SER 111 HB2 SER 111 9.416 -0.888 -9.301 839 HB3 SER 111 3HB SER 111 8.931 -2.107 -10.478 840 HG SER 111 HG SER 111 7.190 -0.005 -9.788 841 H PHE 112 H PHE 112 9.106 -3.447 -6.981 842 HA PHE 112 HA PHE 112 9.516 -1.194 -5.164 843 HB2 PHE 112 HB2 PHE 112 7.739 -3.427 -4.664 844 HB3 PHE 112 3HB PHE 112 9.022 -3.356 -3.460 845 HD1 PHE 112 HD1 PHE 112 9.453 -0.465 -3.217 846 HD2 PHE 112 HD2 PHE 112 5.841 -2.689 -3.563 847 HE1 PHE 112 HE1 PHE 112 8.244 1.321 -2.033 848 HE2 PHE 112 HE2 PHE 112 4.626 -0.906 -2.382 849 HZ PHE 112 HZ PHE 112 5.827 1.103 -1.616 850 H GLU 113 H GLU 113 10.996 -1.952 -3.283 851 HA GLU 113 HA GLU 113 13.264 -3.303 -4.526 852 HB2 GLU 113 HB2 GLU 113 13.453 -1.067 -3.329 853 HB3 GLU 113 HB3 GLU 113 13.205 -1.952 -1.831 854 HG2 GLU 113 HG2 GLU 113 15.194 -3.356 -2.459 855 HG3 GLU 113 HG3 GLU 113 15.487 -2.211 -3.766 856 H LYS 114 H LYS 114 14.357 -5.041 -3.570 857 HA LYS 114 HA LYS 114 12.834 -7.098 -2.547 858 HB2 LYS 114 HB2 LYS 114 15.605 -6.621 -3.081 859 HB3 LYS 114 HB3 LYS 114 15.461 -7.433 -1.527 860 HG2 LYS 114 HG2 LYS 114 14.739 -9.363 -2.446 861 HG3 LYS 114 HG3 LYS 114 13.843 -8.545 -3.728 862 HD2 LYS 114 HD2 LYS 114 15.929 -8.079 -4.903 863 HD3 LYS 114 HD3 LYS 114 16.843 -8.859 -3.610 864 HE2 LYS 114 HE2 LYS 114 16.504 -10.869 -4.499 865 HE3 LYS 114 HE3 LYS 114 14.764 -10.601 -4.574 866 HZ1 LYS 114 HZ1 LYS 114 15.213 -10.799 -6.773 867 HZ2 LYS 114 HZ2 LYS 114 16.794 -10.216 -6.638 868 HZ3 LYS 114 HZ3 LYS 114 15.491 -9.138 -6.623 869 H VAL 115 H VAL 115 11.575 -6.797 -0.792 870 HA VAL 115 HA VAL 115 12.846 -5.784 1.663 871 HB VAL 115 HB VAL 115 10.706 -4.698 0.650 872 HG11 VAL 115 HG11 VAL 115 9.438 -6.961 2.184 873 HG12 VAL 115 HG12 VAL 115 8.620 -5.668 1.303 874 HG13 VAL 115 HG13 VAL 115 9.534 -6.894 0.425 875 HG21 VAL 115 HG21 VAL 115 10.902 -3.667 2.609 876 HG22 VAL 115 HG22 VAL 115 9.895 -4.926 3.325 877 HG23 VAL 115 HG23 VAL 115 11.651 -5.089 3.335 878 H LYS 116 H LYS 116 12.499 -6.861 3.639 879 HA LYS 116 HA LYS 116 11.456 -9.603 3.428 880 HB2 LYS 116 HB2 LYS 116 14.090 -8.681 4.532 881 HB3 LYS 116 HB3 LYS 116 13.332 -10.142 5.151 882 HG2 LYS 116 HG2 LYS 116 13.383 -10.109 2.259 883 HG3 LYS 116 HG3 LYS 116 14.998 -9.939 2.951 884 HD2 LYS 116 HD2 LYS 116 14.037 -11.909 4.508 885 HD3 LYS 116 HD3 LYS 116 13.124 -12.223 3.031 886 HE2 LYS 116 HE2 LYS 116 15.862 -11.678 2.383 887 HE3 LYS 116 HE3 LYS 116 15.784 -12.940 3.611 888 HZ1 LYS 116 HZ1 LYS 116 15.173 -14.380 2.068 889 HZ2 LYS 116 HZ2 LYS 116 15.314 -13.185 0.880 890 HZ3 LYS 116 HZ3 LYS 116 13.831 -13.438 1.652 891 H ALA 117 H ALA 117 12.925 -7.749 6.078 892 HA ALA 117 HA ALA 117 10.526 -7.068 7.377 893 HB1 ALA 117 HB1 ALA 117 11.825 -9.605 8.358 894 HB2 ALA 117 HB2 ALA 117 10.614 -8.688 9.256 895 HB3 ALA 117 HB3 ALA 117 10.194 -9.424 7.709 896 H HIS 118 H HIS 118 10.925 -5.627 8.970 897 HA HIS 118 HA HIS 118 13.388 -5.635 10.460 898 HB2 HIS 118 HB2 HIS 118 14.240 -4.556 8.492 899 HB3 HIS 118 3HB HIS 118 12.847 -3.480 8.412 900 HD1 HIS 118 HD1 HIS 118 15.462 -4.235 11.085 901 HD2 HIS 118 HD2 HIS 118 13.564 -1.027 9.252 902 HE1 HIS 118 HE1 HIS 118 16.423 -2.178 12.167 903 H SER 119 H SER 119 11.419 -2.841 9.560 904 HA SER 119 HA SER 119 9.575 -2.888 11.637 905 HB2 SER 119 HB2 SER 119 10.686 -1.084 13.103 906 HB3 SER 119 3HB SER 119 11.258 -2.742 13.282 907 HG SER 119 HG SER 119 13.140 -2.171 12.528 908 H GLY 120 H GLY 120 9.081 -0.366 12.285 909 HA2 GLY 120 HA1 GLY 120 9.562 1.555 10.251 910 HA3 GLY 120 HA2 GLY 120 8.003 0.785 10.000 911 H ASN 121 H ASN 121 8.412 3.545 10.558 912 HA ASN 121 HA ASN 121 6.673 3.784 12.861 913 HB2 ASN 121 HB2 ASN 121 8.329 5.762 13.588 914 HB3 ASN 121 3HB ASN 121 8.479 4.125 14.217 915 HD21 ASN 121 HD21 ASN 121 10.061 2.736 13.291 916 HD22 ASN 121 HD22 ASN 121 11.462 3.394 12.524 917 H GLU 122 H GLU 122 8.780 6.162 11.278 918 HA GLU 122 HA GLU 122 6.362 7.594 10.412 919 HB2 GLU 122 HB2 GLU 122 7.636 9.614 10.459 920 HB3 GLU 122 HB3 GLU 122 7.955 8.762 11.963 921 HG2 GLU 122 HG2 GLU 122 10.100 9.136 11.515 922 HG3 GLU 122 HG3 GLU 122 9.945 7.828 10.344 923 H PHE 123 H PHE 123 9.068 5.852 9.297 924 HA PHE 123 HA PHE 123 9.697 6.986 6.870 925 HB2 PHE 123 HB2 PHE 123 9.399 4.014 7.328 926 HB3 PHE 123 3HB PHE 123 10.452 4.811 6.164 927 HD1 PHE 123 HD1 PHE 123 11.944 6.742 7.482 928 HD2 PHE 123 HD2 PHE 123 10.537 3.046 9.055 929 HE1 PHE 123 HE1 PHE 123 13.764 6.758 9.139 930 HE2 PHE 123 HE2 PHE 123 12.353 3.056 10.714 931 HZ PHE 123 HZ PHE 123 13.969 4.914 10.758 932 H ASN 124 H ASN 124 6.914 5.004 7.708 933 HA ASN 124 HA ASN 124 5.965 4.785 5.012 934 HB2 ASN 124 HB2 ASN 124 4.128 4.423 7.335 935 HB3 ASN 124 3HB ASN 124 4.278 3.466 5.864 936 HD21 ASN 124 HD21 ASN 124 5.453 1.659 5.907 937 HD22 ASN 124 HD22 ASN 124 6.410 1.130 7.245 938 H ASP 125 H ASP 125 5.198 6.807 7.807 939 HA ASP 125 HA ASP 125 2.940 8.105 6.895 940 HB2 ASP 125 HB2 ASP 125 5.190 8.917 8.695 941 HB3 ASP 125 3HB ASP 125 3.987 10.118 8.228 942 H TYR 126 H TYR 126 6.201 8.392 5.793 943 HA TYR 126 HA TYR 126 6.275 10.915 4.682 944 HB2 TYR 126 HB2 TYR 126 8.290 9.780 4.532 945 HB3 TYR 126 3HB TYR 126 7.536 8.304 3.941 946 HD1 TYR 126 HD1 TYR 126 6.872 8.119 1.566 947 HD2 TYR 126 HD2 TYR 126 9.011 11.494 3.026 948 HE1 TYR 126 HE1 TYR 126 7.466 8.733 -0.741 949 HE2 TYR 126 HE2 TYR 126 9.611 12.117 0.724 950 HH TYR 126 HH TYR 126 9.216 10.030 -1.908 951 H VAL 127 H VAL 127 4.725 8.003 3.461 952 HA VAL 127 HA VAL 127 4.159 8.806 0.858 953 HB VAL 127 HB VAL 127 2.291 7.216 0.910 954 HG11 VAL 127 HG11 VAL 127 3.564 5.236 1.349 955 HG12 VAL 127 HG12 VAL 127 4.656 6.453 0.685 956 HG13 VAL 127 HG13 VAL 127 4.658 6.116 2.417 957 HG21 VAL 127 HG21 VAL 127 1.147 6.870 2.779 958 HG22 VAL 127 HG22 VAL 127 2.561 6.094 3.491 959 HG23 VAL 127 HG23 VAL 127 2.312 7.827 3.693 960 H ASP 128 H ASP 128 2.812 9.867 3.852 961 HA ASP 128 HA ASP 128 0.312 10.804 2.974 962 HB2 ASP 128 HB2 ASP 128 2.061 11.937 5.170 963 HB3 ASP 128 3HB ASP 128 0.331 12.208 4.978 964 H MET 129 H MET 129 3.395 12.555 3.366 965 HA MET 129 HA MET 129 2.403 14.952 2.187 966 HB2 MET 129 HB2 MET 129 4.409 14.622 3.796 967 HB3 MET 129 HB3 MET 129 5.318 14.237 2.340 968 HG2 MET 129 HG2 MET 129 4.959 16.396 1.438 969 HG3 MET 129 HG3 MET 129 3.760 16.783 2.670 970 HE1 MET 129 HE1 MET 129 8.173 16.081 3.805 971 HE2 MET 129 HE2 MET 129 6.966 14.801 3.684 972 HE3 MET 129 HE3 MET 129 7.500 15.649 2.233 973 H LYS 130 H LYS 130 4.054 12.110 0.983 974 HA LYS 130 HA LYS 130 4.795 13.160 -1.542 975 HB2 LYS 130 HB2 LYS 130 5.229 10.798 -0.174 976 HB3 LYS 130 HB3 LYS 130 4.206 10.298 -1.514 977 HG2 LYS 130 HG2 LYS 130 6.809 11.794 -1.742 978 HG3 LYS 130 HG3 LYS 130 6.559 10.078 -2.074 979 HD2 LYS 130 HD2 LYS 130 6.253 10.749 -4.196 980 HD3 LYS 130 HD3 LYS 130 4.647 11.229 -3.642 981 HE2 LYS 130 HE2 LYS 130 5.181 13.270 -4.377 982 HE3 LYS 130 HE3 LYS 130 6.201 13.383 -2.943 983 HZ1 LYS 130 HZ1 LYS 130 7.077 13.673 -5.463 984 HZ2 LYS 130 HZ2 LYS 130 7.431 12.043 -5.185 985 HZ3 LYS 130 HZ3 LYS 130 8.058 13.231 -4.157 986 H ALA 131 H ALA 131 2.030 11.170 -0.512 987 HA ALA 131 HA ALA 131 0.771 10.986 -3.003 988 HB1 ALA 131 HB1 ALA 131 -1.342 10.836 -1.391 989 HB2 ALA 131 HB2 ALA 131 -0.174 9.523 -1.545 990 HB3 ALA 131 HB3 ALA 131 -0.071 10.640 -0.184 991 H LYS 132 H LYS 132 0.714 13.507 -0.565 992 HA LYS 132 HA LYS 132 -1.494 14.975 -1.331 993 HB2 LYS 132 HB2 LYS 132 0.853 15.406 0.248 994 HB3 LYS 132 HB3 LYS 132 0.571 16.831 -0.745 995 HG2 LYS 132 HG2 LYS 132 -1.918 16.423 0.155 996 HG3 LYS 132 HG3 LYS 132 -1.001 15.735 1.497 997 HD2 LYS 132 HD2 LYS 132 0.336 17.858 1.547 998 HD3 LYS 132 HD3 LYS 132 -0.803 18.525 0.374 999 HE2 LYS 132 HE2 LYS 132 -2.567 18.502 1.894 1000 HE3 LYS 132 HE3 LYS 132 -1.774 17.326 2.942 1001 HZ1 LYS 132 HZ1 LYS 132 -0.177 19.636 2.749 1002 HZ2 LYS 132 HZ2 LYS 132 -0.913 18.973 4.120 1003 HZ3 LYS 132 HZ3 LYS 132 -1.749 20.096 3.169 1004 H SER 133 H SER 133 1.670 14.790 -2.832 1005 HA SER 133 HA SER 133 1.503 17.008 -4.526 1006 HB2 SER 133 HB2 SER 133 2.903 14.359 -4.965 1007 HB3 SER 133 3HB SER 133 3.171 15.809 -5.931 1008 HG SER 133 HG SER 133 4.457 15.185 -3.801 1009 H ALA 134 H ALA 134 0.361 13.690 -4.949 1010 HA ALA 134 HA ALA 134 -0.394 13.793 -7.620 1011 HB1 ALA 134 HB1 ALA 134 -0.376 11.723 -6.365 1012 HB2 ALA 134 HB2 ALA 134 -1.707 12.292 -5.358 1013 HB3 ALA 134 HB3 ALA 134 -1.969 11.984 -7.075 1014 H LEU 135 H LEU 135 -2.198 14.770 -4.731 1015 HA LEU 135 HA LEU 135 -4.575 15.458 -6.141 1016 HB2 LEU 135 HB2 LEU 135 -3.683 16.479 -3.453 1017 HB3 LEU 135 3HB LEU 135 -5.330 16.412 -4.079 1018 HG LEU 135 HG LEU 135 -3.741 13.904 -3.655 1019 HD11 LEU 135 HD11 LEU 135 -5.511 15.156 -1.571 1020 HD12 LEU 135 HD12 LEU 135 -3.755 15.309 -1.566 1021 HD13 LEU 135 HD13 LEU 135 -4.501 13.718 -1.422 1022 HD21 LEU 135 HD21 LEU 135 -5.608 13.024 -4.472 1023 HD22 LEU 135 HD22 LEU 135 -6.405 14.598 -4.487 1024 HD23 LEU 135 HD23 LEU 135 -6.451 13.600 -3.034 1025 H GLY 136 H GLY 136 -1.587 17.074 -5.502 1026 HA2 GLY 136 HA1 GLY 136 -0.798 19.022 -6.492 1027 HA3 GLY 136 HA2 GLY 136 -2.397 19.289 -7.172 1028 H ILE 137 H ILE 137 -1.489 18.844 -3.778 1029 HA ILE 137 HA ILE 137 -3.089 21.027 -2.928 1030 HB ILE 137 HB ILE 137 -0.875 19.736 -1.339 1031 HG12 ILE 137 HG12 ILE 137 -2.279 17.965 -2.229 1032 HG13 ILE 137 HG13 ILE 137 -2.616 18.171 -0.513 1033 HG21 ILE 137 HG21 ILE 137 -1.571 21.454 -0.018 1034 HG22 ILE 137 HG22 ILE 137 -3.183 21.494 -0.730 1035 HG23 ILE 137 HG23 ILE 137 -2.771 20.247 0.447 1036 HD11 ILE 137 HD11 ILE 137 -4.758 18.446 -0.962 1037 HD12 ILE 137 HD12 ILE 137 -4.386 19.836 -1.983 1038 HD13 ILE 137 HD13 ILE 137 -4.422 18.215 -2.677 1039 H ARG 138 H ARG 138 -2.444 23.009 -1.996 1040 HA ARG 138 HA ARG 138 0.196 23.950 -2.909 1041 HB2 ARG 138 HB2 ARG 138 -0.970 26.252 -2.817 1042 HB3 ARG 138 HB3 ARG 138 -1.343 25.179 -4.160 1043 HG2 ARG 138 HG2 ARG 138 -3.101 24.886 -1.831 1044 HG3 ARG 138 HG3 ARG 138 -3.186 26.452 -2.641 1045 HD2 ARG 138 HD2 ARG 138 -3.136 24.281 -4.547 1046 HD3 ARG 138 HD3 ARG 138 -4.460 24.092 -3.398 1047 HE ARG 138 HE ARG 138 -4.678 26.675 -4.137 1048 HH11 ARG 138 HH11 ARG 138 -4.399 23.711 -5.941 1049 HH12 ARG 138 HH12 ARG 138 -5.316 24.293 -7.292 1050 HH21 ARG 138 HH21 ARG 138 -5.886 27.454 -5.909 1051 HH22 ARG 138 HH22 ARG 138 -6.160 26.423 -7.272 1052 H ASP 139 H ASP 139 0.568 26.219 -1.621 1053 HA ASP 139 HA ASP 139 1.250 27.142 0.342 1054 HB2 ASP 139 HB2 ASP 139 -0.826 25.590 1.845 1055 HB3 ASP 139 3HB ASP 139 -0.284 27.250 2.084 1056 H LEU 140 H LEU 140 3.184 25.829 0.112 1057 HA LEU 140 HA LEU 140 3.337 23.645 2.084 1058 HB2 LEU 140 HB2 LEU 140 4.110 23.732 -0.607 1059 HB3 LEU 140 3HB LEU 140 5.607 23.785 0.321 1060 HG LEU 140 HG LEU 140 3.825 21.730 1.309 1061 HD11 LEU 140 HD11 LEU 140 3.437 20.428 -0.506 1062 HD12 LEU 140 HD12 LEU 140 4.850 21.024 -1.377 1063 HD13 LEU 140 HD13 LEU 140 3.383 22.000 -1.303 1064 HD21 LEU 140 HD21 LEU 140 5.966 21.380 1.966 1065 HD22 LEU 140 HD22 LEU 140 6.651 22.082 0.500 1066 HD23 LEU 140 HD23 LEU 140 6.007 20.440 0.474 1067 H GLU 141 H GLU 141 5.702 23.385 2.903 1068 HA GLU 141 HA GLU 141 6.984 25.972 3.356 1069 HB2 GLU 141 HB2 GLU 141 5.327 24.722 5.278 1070 HB3 GLU 141 HB3 GLU 141 6.984 24.510 5.826 1071 HG2 GLU 141 HG2 GLU 141 6.718 27.184 4.953 1072 HG3 GLU 141 HG3 GLU 141 5.330 26.816 5.975 1073 H HIS 142 H HIS 142 8.899 25.308 5.130 1074 HA HIS 142 HA HIS 142 10.334 23.097 3.811 1075 HB2 HIS 142 HB2 HIS 142 12.409 24.305 4.188 1076 HB3 HIS 142 3HB HIS 142 11.281 25.330 3.306 1077 HD1 HIS 142 HD1 HIS 142 10.277 27.362 4.592 1078 HD2 HIS 142 HD2 HIS 142 13.135 25.218 6.710 1079 HE1 HIS 142 HE1 HIS 142 10.909 28.826 6.538 1080 H HIS 143 H HIS 143 11.873 21.929 5.128 1081 HA HIS 143 HA HIS 143 12.150 22.225 7.895 1082 HB2 HIS 143 HB2 HIS 143 9.612 21.316 7.290 1083 HB3 HIS 143 3HB HIS 143 10.488 19.831 7.649 1084 HD1 HIS 143 HD1 HIS 143 9.084 22.875 9.228 1085 HD2 HIS 143 HD2 HIS 143 11.437 19.629 10.320 1086 HE1 HIS 143 HE1 HIS 143 9.125 22.891 11.743 1087 H HIS 144 H HIS 144 13.245 20.387 8.905 1088 HA HIS 144 HA HIS 144 13.995 18.067 7.523 1089 HB2 HIS 144 HB2 HIS 144 16.378 18.651 7.036 1090 HB3 HIS 144 3HB HIS 144 15.216 19.484 6.009 1091 HD1 HIS 144 HD1 HIS 144 17.368 20.141 9.060 1092 HD2 HIS 144 HD2 HIS 144 15.445 22.201 6.007 1093 HE1 HIS 144 HE1 HIS 144 18.102 22.534 9.298 1094 H HIS 145 H HIS 145 16.037 17.065 8.559 1095 HA HIS 145 HA HIS 145 16.972 17.963 11.051 1096 HB2 HIS 145 HB2 HIS 145 14.427 17.236 11.394 1097 HB3 HIS 145 3HB HIS 145 15.167 15.643 11.531 1098 HD1 HIS 145 HD1 HIS 145 14.700 15.401 14.027 1099 HD2 HIS 145 HD2 HIS 145 16.915 18.786 13.079 1100 HE1 HIS 145 HE1 HIS 145 15.541 16.292 16.224 1101 H HIS 146 H HIS 146 15.907 14.800 9.785 1102 HA HIS 146 HA HIS 146 17.075 12.933 9.196 1103 HB2 HIS 146 HB2 HIS 146 18.876 15.093 8.626 1104 HB3 HIS 146 3HB HIS 146 19.790 13.730 9.266 1105 HD1 HIS 146 HD1 HIS 146 18.963 11.334 7.997 1106 HD2 HIS 146 HD2 HIS 146 18.623 14.934 5.951 1107 HE1 HIS 146 HE1 HIS 146 18.830 10.715 5.563 1108 H HIS 147 H HIS 147 19.562 14.526 11.171 1109 HA HIS 147 HA HIS 147 20.625 13.887 13.079 1110 HB2 HIS 147 HB2 HIS 147 17.937 13.939 13.649 1111 HB3 HIS 147 3HB HIS 147 18.400 12.326 14.184 1112 HD1 HIS 147 HD1 HIS 147 19.844 15.834 14.594 1113 HD2 HIS 147 HD2 HIS 147 19.150 12.362 16.769 1114 HE1 HIS 147 HE1 HIS 147 20.639 16.332 16.928 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -8.684 5.512 -18.784 2 HA MET 1 HA MET 1 -7.442 3.639 -19.579 3 HB2 MET 1 HB2 MET 1 -7.662 5.181 -21.987 4 HB3 MET 1 HB3 MET 1 -5.980 4.735 -21.740 5 HG2 MET 1 HG2 MET 1 -6.535 2.414 -21.663 6 HG3 MET 1 HG3 MET 1 -8.259 2.777 -21.672 7 HE1 MET 1 HE1 MET 1 -5.389 1.730 -23.236 8 HE2 MET 1 HE2 MET 1 -5.874 1.449 -24.908 9 HE3 MET 1 HE3 MET 1 -5.004 2.922 -24.478 10 H ASP 2 H ASP 2 -5.486 3.241 -18.702 11 HA ASP 2 HA ASP 2 -3.493 3.588 -17.662 12 HB2 ASP 2 HB2 ASP 2 -3.233 4.833 -20.060 13 HB3 ASP 2 3HB ASP 2 -2.946 6.183 -18.966 14 H ASP 3 H ASP 3 -2.191 5.478 -16.476 15 HA ASP 3 HA ASP 3 -4.107 7.259 -15.144 16 HB2 ASP 3 HB2 ASP 3 -3.547 6.572 -12.996 17 HB3 ASP 3 3HB ASP 3 -3.561 5.047 -13.876 18 H ARG 4 H ARG 4 -2.466 8.426 -13.311 19 HA ARG 4 HA ARG 4 0.057 9.192 -14.404 20 HB2 ARG 4 HB2 ARG 4 -0.409 11.438 -15.041 21 HB3 ARG 4 HB3 ARG 4 -1.582 10.424 -15.871 22 HG2 ARG 4 HG2 ARG 4 -3.153 10.967 -13.929 23 HG3 ARG 4 HG3 ARG 4 -2.005 12.246 -13.532 24 HD2 ARG 4 HD2 ARG 4 -3.014 12.005 -16.329 25 HD3 ARG 4 HD3 ARG 4 -4.055 12.720 -15.098 26 HE ARG 4 HE ARG 4 -1.640 14.007 -14.851 27 HH11 ARG 4 HH11 ARG 4 -3.992 13.541 -17.376 28 HH12 ARG 4 HH12 ARG 4 -3.647 15.051 -18.155 29 HH21 ARG 4 HH21 ARG 4 -1.177 15.995 -15.868 30 HH22 ARG 4 HH22 ARG 4 -2.045 16.445 -17.296 31 H THR 5 H THR 5 -1.070 8.250 -11.903 32 HA THR 5 HA THR 5 -1.444 10.135 -9.936 33 HB THR 5 HB THR 5 -0.222 8.423 -8.415 34 HG1 THR 5 HG1 THR 5 0.909 7.391 -10.152 35 HG21 THR 5 HG21 THR 5 -2.159 6.892 -8.521 36 HG22 THR 5 HG22 THR 5 -2.649 7.647 -10.037 37 HG23 THR 5 HG23 THR 5 -2.641 8.587 -8.545 38 H GLU 6 H GLU 6 -0.050 11.090 -8.370 39 HA GLU 6 HA GLU 6 2.125 12.461 -9.365 40 HB2 GLU 6 HB2 GLU 6 0.995 13.163 -7.341 41 HB3 GLU 6 HB3 GLU 6 1.515 11.707 -6.503 42 HG2 GLU 6 HG2 GLU 6 2.853 13.589 -5.813 43 HG3 GLU 6 HG3 GLU 6 3.846 12.434 -6.700 44 H TYR 7 H TYR 7 2.552 10.061 -6.780 45 HA TYR 7 HA TYR 7 4.580 8.642 -8.258 46 HB2 TYR 7 HB2 TYR 7 5.287 10.750 -6.357 47 HB3 TYR 7 3HB TYR 7 6.038 9.204 -5.981 48 HD1 TYR 7 HD1 TYR 7 6.782 8.008 -8.419 49 HD2 TYR 7 HD2 TYR 7 6.736 12.153 -7.464 50 HE1 TYR 7 HE1 TYR 7 8.491 8.417 -10.138 51 HE2 TYR 7 HE2 TYR 7 8.444 12.574 -9.182 52 HH TYR 7 HH TYR 7 9.791 11.676 -10.698 53 H ASP 8 H ASP 8 4.132 9.175 -4.774 54 HA ASP 8 HA ASP 8 3.860 6.304 -4.391 55 HB2 ASP 8 HB2 ASP 8 5.352 7.406 -2.867 56 HB3 ASP 8 3HB ASP 8 4.130 8.605 -2.452 57 H VAL 9 H VAL 9 2.126 5.357 -3.208 58 HA VAL 9 HA VAL 9 -0.419 6.698 -3.703 59 HB VAL 9 HB VAL 9 0.204 3.852 -2.908 60 HG11 VAL 9 HG11 VAL 9 -2.204 3.436 -3.360 61 HG12 VAL 9 HG12 VAL 9 -1.917 4.455 -1.948 62 HG13 VAL 9 HG13 VAL 9 -2.444 5.181 -3.467 63 HG21 VAL 9 HG21 VAL 9 -0.955 4.891 -5.485 64 HG22 VAL 9 HG22 VAL 9 0.768 4.597 -5.243 65 HG23 VAL 9 HG23 VAL 9 -0.378 3.261 -5.136 66 H TYR 10 H TYR 10 -1.976 7.049 -2.123 67 HA TYR 10 HA TYR 10 -0.989 7.688 0.465 68 HB2 TYR 10 HB2 TYR 10 -2.765 9.013 -0.494 69 HB3 TYR 10 3HB TYR 10 -3.802 7.600 -0.639 70 HD1 TYR 10 HD1 TYR 10 -1.930 9.498 1.983 71 HD2 TYR 10 HD2 TYR 10 -5.414 7.270 0.982 72 HE1 TYR 10 HE1 TYR 10 -2.860 9.961 4.212 73 HE2 TYR 10 HE2 TYR 10 -6.354 7.728 3.207 74 HH TYR 10 HH TYR 10 -5.778 9.884 5.040 75 H THR 11 H THR 11 -0.155 5.587 1.086 76 HA THR 11 HA THR 11 -2.238 3.946 2.350 77 HB THR 11 HB THR 11 -1.011 1.889 1.799 78 HG1 THR 11 HG1 THR 11 0.631 3.672 0.301 79 HG21 THR 11 HG21 THR 11 -1.241 2.536 -0.912 80 HG22 THR 11 HG22 THR 11 -2.407 3.570 -0.085 81 HG23 THR 11 HG23 THR 11 -2.478 1.820 0.121 82 H ASP 12 H ASP 12 -1.016 2.244 3.832 83 HA ASP 12 HA ASP 12 0.208 1.893 5.717 84 HB2 ASP 12 HB2 ASP 12 2.171 3.971 4.773 85 HB3 ASP 12 3HB ASP 12 2.476 2.536 5.747 86 H GLY 13 H GLY 13 -0.998 2.640 7.369 87 HA2 GLY 13 HA1 GLY 13 -0.519 4.383 9.193 88 HA3 GLY 13 HA2 GLY 13 -0.941 5.532 7.931 89 H SER 14 H SER 14 -2.667 6.340 9.168 90 HA SER 14 HA SER 14 -4.866 6.529 9.724 91 HB2 SER 14 HB2 SER 14 -4.894 5.028 7.431 92 HB3 SER 14 3HB SER 14 -5.761 3.983 8.556 93 HG SER 14 HG SER 14 -7.124 5.488 7.440 94 H TYR 15 H TYR 15 -6.263 5.874 11.361 95 HA TYR 15 HA TYR 15 -6.381 3.337 12.521 96 HB2 TYR 15 HB2 TYR 15 -5.119 3.914 14.671 97 HB3 TYR 15 3HB TYR 15 -4.148 3.504 13.263 98 HD1 TYR 15 HD1 TYR 15 -5.455 6.387 15.211 99 HD2 TYR 15 HD2 TYR 15 -2.517 4.988 12.469 100 HE1 TYR 15 HE1 TYR 15 -4.237 8.512 15.440 101 HE2 TYR 15 HE2 TYR 15 -1.291 7.108 12.691 102 HH TYR 15 HH TYR 15 -1.171 9.066 13.736 103 H VAL 16 H VAL 16 -7.657 3.286 14.466 104 HA VAL 16 HA VAL 16 -8.866 5.825 15.279 105 HB VAL 16 HB VAL 16 -10.380 5.064 13.573 106 HG11 VAL 16 HG11 VAL 16 -9.591 2.657 13.724 107 HG12 VAL 16 HG12 VAL 16 -10.736 2.472 15.054 108 HG13 VAL 16 HG13 VAL 16 -11.314 2.904 13.444 109 HG21 VAL 16 HG21 VAL 16 -11.235 5.922 15.828 110 HG22 VAL 16 HG22 VAL 16 -12.389 5.100 14.778 111 HG23 VAL 16 HG23 VAL 16 -11.683 4.247 16.151 112 H ASN 17 H ASN 17 -8.586 5.900 17.404 113 HA ASN 17 HA ASN 17 -8.697 5.348 19.612 114 HB2 ASN 17 HB2 ASN 17 -10.886 4.246 18.822 115 HB3 ASN 17 3HB ASN 17 -9.990 2.731 18.870 116 HD21 ASN 17 HD21 ASN 17 -12.144 4.370 20.526 117 HD22 ASN 17 HD22 ASN 17 -11.706 3.970 22.148 118 H GLY 18 H GLY 18 -8.365 2.129 18.113 119 HA2 GLY 18 HA1 GLY 18 -5.566 1.954 18.646 120 HA3 GLY 18 HA2 GLY 18 -6.501 1.099 19.865 121 H GLN 19 H GLN 19 -7.633 1.316 16.582 122 HA GLN 19 HA GLN 19 -7.197 -1.575 16.307 123 HB2 GLN 19 HB2 GLN 19 -9.443 0.071 15.832 124 HB3 GLN 19 HB3 GLN 19 -8.889 -0.482 14.258 125 HG2 GLN 19 HG2 GLN 19 -8.807 -2.752 15.840 126 HG3 GLN 19 HG3 GLN 19 -10.277 -1.920 16.345 127 HE21 GLN 19 HE21 GLN 19 -12.028 -2.037 15.090 128 HE22 GLN 19 HE22 GLN 19 -12.079 -2.760 13.521 129 H TYR 20 H TYR 20 -7.293 -2.046 13.706 130 HA TYR 20 HA TYR 20 -5.219 -0.358 12.477 131 HB2 TYR 20 HB2 TYR 20 -3.961 -2.224 11.777 132 HB3 TYR 20 3HB TYR 20 -4.371 -2.569 13.453 133 HD1 TYR 20 HD1 TYR 20 -6.312 -4.139 13.915 134 HD2 TYR 20 HD2 TYR 20 -4.573 -3.703 10.057 135 HE1 TYR 20 HE1 TYR 20 -7.298 -6.287 13.236 136 HE2 TYR 20 HE2 TYR 20 -5.556 -5.849 9.365 137 HH TYR 20 HH TYR 20 -6.776 -7.597 9.973 138 H ALA 21 H ALA 21 -5.516 0.139 10.377 139 HA ALA 21 HA ALA 21 -7.492 -1.355 8.817 140 HB1 ALA 21 HB1 ALA 21 -8.539 0.667 9.971 141 HB2 ALA 21 HB2 ALA 21 -7.580 1.645 8.858 142 HB3 ALA 21 HB3 ALA 21 -8.777 0.513 8.230 143 H TRP 22 H TRP 22 -7.492 -0.564 6.483 144 HA TRP 22 HA TRP 22 -4.850 0.419 5.667 145 HB2 TRP 22 HB2 TRP 22 -5.021 -1.332 3.765 146 HB3 TRP 22 3HB TRP 22 -4.504 -1.871 5.359 147 HD1 TRP 22 HD1 TRP 22 -6.327 -3.270 6.821 148 HE1 TRP 22 HE1 TRP 22 -8.299 -4.741 6.064 149 HE3 TRP 22 HE3 TRP 22 -6.790 -1.595 2.014 150 HZ2 TRP 22 HZ2 TRP 22 -9.846 -5.138 3.737 151 HZ3 TRP 22 HZ3 TRP 22 -8.540 -2.572 0.587 152 HH2 TRP 22 HH2 TRP 22 -10.035 -4.308 1.433 153 H ALA 23 H ALA 23 -4.931 1.913 4.108 154 HA ALA 23 HA ALA 23 -7.358 2.094 2.455 155 HB1 ALA 23 HB1 ALA 23 -7.931 4.002 3.429 156 HB2 ALA 23 HB2 ALA 23 -6.478 3.974 4.429 157 HB3 ALA 23 HB3 ALA 23 -6.435 4.720 2.831 158 H TYR 24 H TYR 24 -7.022 3.536 0.528 159 HA TYR 24 HA TYR 24 -4.336 4.002 -0.365 160 HB2 TYR 24 HB2 TYR 24 -4.788 2.478 -2.446 161 HB3 TYR 24 3HB TYR 24 -4.151 1.773 -0.965 162 HD1 TYR 24 HD1 TYR 24 -7.536 2.625 -2.323 163 HD2 TYR 24 HD2 TYR 24 -5.061 -0.267 -0.422 164 HE1 TYR 24 HE1 TYR 24 -9.426 1.053 -2.264 165 HE2 TYR 24 HE2 TYR 24 -6.944 -1.847 -0.360 166 HH TYR 24 HH TYR 24 -9.343 -1.917 -2.069 167 H ALA 25 H ALA 25 -4.267 4.996 -2.502 168 HA ALA 25 HA ALA 25 -6.777 6.408 -3.084 169 HB1 ALA 25 HB1 ALA 25 -5.100 7.965 -2.539 170 HB2 ALA 25 HB2 ALA 25 -3.899 7.143 -3.536 171 HB3 ALA 25 HB3 ALA 25 -5.230 8.014 -4.298 172 H PHE 26 H PHE 26 -7.872 5.813 -4.825 173 HA PHE 26 HA PHE 26 -6.445 4.420 -6.985 174 HB2 PHE 26 HB2 PHE 26 -9.224 4.244 -5.906 175 HB3 PHE 26 3HB PHE 26 -8.962 3.878 -7.608 176 HD1 PHE 26 HD1 PHE 26 -6.681 3.174 -4.776 177 HD2 PHE 26 HD2 PHE 26 -9.353 1.578 -7.679 178 HE1 PHE 26 HE1 PHE 26 -5.969 0.896 -4.174 179 HE2 PHE 26 HE2 PHE 26 -8.648 -0.702 -7.080 180 HZ PHE 26 HZ PHE 26 -6.953 -1.046 -5.327 181 H VAL 27 H VAL 27 -6.469 5.177 -9.038 182 HA VAL 27 HA VAL 27 -8.264 7.346 -9.777 183 HB VAL 27 HB VAL 27 -5.292 7.647 -9.558 184 HG11 VAL 27 HG11 VAL 27 -5.359 8.276 -11.751 185 HG12 VAL 27 HG12 VAL 27 -7.059 8.745 -11.681 186 HG13 VAL 27 HG13 VAL 27 -5.823 9.802 -10.998 187 HG21 VAL 27 HG21 VAL 27 -5.866 9.791 -8.606 188 HG22 VAL 27 HG22 VAL 27 -7.566 9.552 -9.008 189 HG23 VAL 27 HG23 VAL 27 -6.793 8.526 -7.799 190 H LYS 28 H LYS 28 -8.898 7.182 -11.837 191 HA LYS 28 HA LYS 28 -7.297 5.503 -13.655 192 HB2 LYS 28 HB2 LYS 28 -10.259 5.514 -13.154 193 HB3 LYS 28 HB3 LYS 28 -9.613 4.969 -14.697 194 HG2 LYS 28 HG2 LYS 28 -8.258 3.749 -12.439 195 HG3 LYS 28 HG3 LYS 28 -9.994 3.428 -12.448 196 HD2 LYS 28 HD2 LYS 28 -8.878 3.161 -15.097 197 HD3 LYS 28 HD3 LYS 28 -8.027 2.129 -13.945 198 HE2 LYS 28 HE2 LYS 28 -9.717 0.710 -14.474 199 HE3 LYS 28 HE3 LYS 28 -10.529 1.605 -13.191 200 HZ1 LYS 28 HZ1 LYS 28 -11.781 1.290 -15.355 201 HZ2 LYS 28 HZ2 LYS 28 -10.722 2.425 -16.026 202 HZ3 LYS 28 HZ3 LYS 28 -11.724 2.863 -14.735 203 H ASP 29 H ASP 29 -6.909 6.303 -15.643 204 HA ASP 29 HA ASP 29 -6.860 7.731 -17.415 205 HB2 ASP 29 HB2 ASP 29 -9.477 7.323 -17.062 206 HB3 ASP 29 3HB ASP 29 -9.429 9.040 -16.674 207 H GLY 30 H GLY 30 -6.310 8.537 -14.447 208 HA2 GLY 30 HA1 GLY 30 -5.028 10.355 -13.712 209 HA3 GLY 30 HA2 GLY 30 -5.542 11.261 -15.128 210 H LYS 31 H LYS 31 -7.931 9.642 -13.222 211 HA LYS 31 HA LYS 31 -8.532 12.013 -11.651 212 HB2 LYS 31 HB2 LYS 31 -10.937 11.950 -12.458 213 HB3 LYS 31 HB3 LYS 31 -9.757 12.599 -13.590 214 HG2 LYS 31 HG2 LYS 31 -9.683 10.287 -14.621 215 HG3 LYS 31 HG3 LYS 31 -11.109 9.919 -13.648 216 HD2 LYS 31 HD2 LYS 31 -12.162 10.645 -15.526 217 HD3 LYS 31 HD3 LYS 31 -11.940 12.207 -14.733 218 HE2 LYS 31 HE2 LYS 31 -10.321 12.871 -16.193 219 HE3 LYS 31 HE3 LYS 31 -9.740 11.230 -16.464 220 HZ1 LYS 31 HZ1 LYS 31 -11.770 12.725 -17.877 221 HZ2 LYS 31 HZ2 LYS 31 -12.195 11.124 -17.534 222 HZ3 LYS 31 HZ3 LYS 31 -10.789 11.456 -18.415 223 H VAL 32 H VAL 32 -10.281 11.625 -10.083 224 HA VAL 32 HA VAL 32 -9.928 9.279 -8.643 225 HB VAL 32 HB VAL 32 -12.343 11.097 -8.595 226 HG11 VAL 32 HG11 VAL 32 -12.745 8.932 -7.517 227 HG12 VAL 32 HG12 VAL 32 -11.316 9.173 -6.509 228 HG13 VAL 32 HG13 VAL 32 -12.706 10.247 -6.343 229 HG21 VAL 32 HG21 VAL 32 -10.513 12.475 -8.139 230 HG22 VAL 32 HG22 VAL 32 -11.092 11.999 -6.542 231 HG23 VAL 32 HG23 VAL 32 -9.672 11.216 -7.233 232 H HIS 33 H HIS 33 -10.699 7.276 -8.810 233 HA HIS 33 HA HIS 33 -12.840 6.775 -10.762 234 HB2 HIS 33 HB2 HIS 33 -10.666 5.675 -11.208 235 HB3 HIS 33 3HB HIS 33 -10.787 4.845 -9.660 236 HD1 HIS 33 HD1 HIS 33 -12.944 5.162 -12.788 237 HD2 HIS 33 HD2 HIS 33 -11.801 2.364 -9.939 238 HE1 HIS 33 HE1 HIS 33 -14.027 3.005 -13.492 239 H TYR 34 H TYR 34 -11.623 5.379 -7.711 240 HA TYR 34 HA TYR 34 -14.281 5.397 -6.584 241 HB2 TYR 34 HB2 TYR 34 -14.840 3.270 -6.976 242 HB3 TYR 34 3HB TYR 34 -13.385 3.086 -7.952 243 HD1 TYR 34 HD1 TYR 34 -14.898 2.501 -4.665 244 HD2 TYR 34 HD2 TYR 34 -11.408 2.012 -7.049 245 HE1 TYR 34 HE1 TYR 34 -14.013 0.894 -3.028 246 HE2 TYR 34 HE2 TYR 34 -10.513 0.401 -5.419 247 HH TYR 34 HH TYR 34 -11.173 -1.001 -3.665 248 H GLU 35 H GLU 35 -14.218 5.583 -4.419 249 HA GLU 35 HA GLU 35 -11.671 4.997 -3.061 250 HB2 GLU 35 HB2 GLU 35 -12.003 6.980 -1.659 251 HB3 GLU 35 HB3 GLU 35 -11.884 7.411 -3.359 252 HG2 GLU 35 HG2 GLU 35 -14.529 7.198 -3.185 253 HG3 GLU 35 HG3 GLU 35 -14.178 7.604 -1.506 254 H ASP 36 H ASP 36 -11.814 3.846 -1.229 255 HA ASP 36 HA ASP 36 -13.924 3.874 0.600 256 HB2 ASP 36 HB2 ASP 36 -14.534 2.373 -1.727 257 HB3 ASP 36 3HB ASP 36 -14.252 1.219 -0.426 258 H ALA 37 H ALA 37 -12.631 3.588 2.299 259 HA ALA 37 HA ALA 37 -10.402 1.756 2.226 260 HB1 ALA 37 HB1 ALA 37 -10.411 3.993 3.405 261 HB2 ALA 37 HB2 ALA 37 -11.422 3.235 4.637 262 HB3 ALA 37 HB3 ALA 37 -9.794 2.626 4.335 263 H ASP 38 H ASP 38 -10.180 0.496 4.494 264 HA ASP 38 HA ASP 38 -12.629 -0.768 5.342 265 HB2 ASP 38 HB2 ASP 38 -10.614 -2.229 3.643 266 HB3 ASP 38 3HB ASP 38 -11.688 -3.082 4.749 267 H VAL 39 H VAL 39 -12.400 -1.962 7.246 268 HA VAL 39 HA VAL 39 -9.772 -1.676 8.551 269 HB VAL 39 HB VAL 39 -12.443 -1.875 9.941 270 HG11 VAL 39 HG11 VAL 39 -10.704 -2.560 11.392 271 HG12 VAL 39 HG12 VAL 39 -9.651 -1.245 10.868 272 HG13 VAL 39 HG13 VAL 39 -11.086 -0.895 11.833 273 HG21 VAL 39 HG21 VAL 39 -10.817 0.601 9.369 274 HG22 VAL 39 HG22 VAL 39 -12.327 0.164 8.570 275 HG23 VAL 39 HG23 VAL 39 -12.316 0.526 10.296 276 H GLY 40 H GLY 40 -9.124 -3.340 10.039 277 HA2 GLY 40 HA1 GLY 40 -10.214 -5.971 9.275 278 HA3 GLY 40 HA2 GLY 40 -8.567 -5.683 9.816 279 H LYS 41 H LYS 41 -8.993 -7.454 11.304 280 HA LYS 41 HA LYS 41 -9.508 -6.570 13.907 281 HB2 LYS 41 HB2 LYS 41 -11.596 -8.078 14.244 282 HB3 LYS 41 HB3 LYS 41 -11.805 -6.462 13.582 283 HG2 LYS 41 HG2 LYS 41 -13.164 -7.992 12.342 284 HG3 LYS 41 HG3 LYS 41 -11.841 -7.444 11.310 285 HD2 LYS 41 HD2 LYS 41 -10.648 -9.499 11.644 286 HD3 LYS 41 HD3 LYS 41 -11.812 -10.030 12.860 287 HE2 LYS 41 HE2 LYS 41 -12.481 -11.190 10.968 288 HE3 LYS 41 HE3 LYS 41 -13.549 -9.788 10.962 289 HZ1 LYS 41 HZ1 LYS 41 -11.131 -9.260 9.557 290 HZ2 LYS 41 HZ2 LYS 41 -12.730 -9.134 9.022 291 HZ3 LYS 41 HZ3 LYS 41 -11.918 -10.614 8.917 292 H ASN 42 H ASN 42 -7.632 -8.163 12.410 293 HA ASN 42 HA ASN 42 -7.986 -10.880 13.388 294 HB2 ASN 42 HB2 ASN 42 -5.825 -9.593 11.711 295 HB3 ASN 42 3HB ASN 42 -5.808 -11.284 12.202 296 HD21 ASN 42 HD21 ASN 42 -6.635 -12.667 10.819 297 HD22 ASN 42 HD22 ASN 42 -7.779 -12.305 9.576 298 HA PRO 43 HA PRO 43 -5.538 -10.486 17.011 299 HB2 PRO 43 HB2 PRO 43 -4.348 -12.924 17.114 300 HB3 PRO 43 HB3 PRO 43 -6.064 -12.676 17.461 301 HG2 PRO 43 HG2 PRO 43 -4.762 -13.644 14.946 302 HG3 PRO 43 HG3 PRO 43 -6.219 -14.248 15.755 303 HD2 PRO 43 HD2 PRO 43 -6.322 -12.615 13.597 304 HD3 PRO 43 HD3 PRO 43 -7.549 -12.580 14.881 305 H ALA 44 H ALA 44 -3.745 -12.088 14.372 306 HA ALA 44 HA ALA 44 -1.188 -11.312 15.318 307 HB1 ALA 44 HB1 ALA 44 -1.482 -13.233 13.855 308 HB2 ALA 44 HB2 ALA 44 -2.035 -12.176 12.555 309 HB3 ALA 44 HB3 ALA 44 -0.373 -12.066 13.133 310 H ALA 45 H ALA 45 -3.616 -9.689 13.503 311 HA ALA 45 HA ALA 45 -1.751 -7.688 12.483 312 HB1 ALA 45 HB1 ALA 45 -3.674 -6.769 11.301 313 HB2 ALA 45 HB2 ALA 45 -3.507 -8.497 10.989 314 HB3 ALA 45 HB3 ALA 45 -4.735 -7.918 12.115 315 H ALA 46 H ALA 46 -4.049 -8.161 15.030 316 HA ALA 46 HA ALA 46 -4.023 -5.311 15.713 317 HB1 ALA 46 HB1 ALA 46 -5.606 -7.490 17.058 318 HB2 ALA 46 HB2 ALA 46 -5.859 -5.747 17.155 319 HB3 ALA 46 HB3 ALA 46 -6.179 -6.601 15.645 320 H THR 47 H THR 47 -1.824 -7.429 16.101 321 HA THR 47 HA THR 47 -1.407 -6.945 18.979 322 HB THR 47 HB THR 47 -1.681 -9.335 18.510 323 HG1 THR 47 HG1 THR 47 0.633 -9.885 19.209 324 HG21 THR 47 HG21 THR 47 -0.371 -10.546 17.008 325 HG22 THR 47 HG22 THR 47 0.852 -9.280 16.904 326 HG23 THR 47 HG23 THR 47 -0.716 -9.058 16.128 327 H MET 48 H MET 48 -0.296 -6.343 15.843 328 HA MET 48 HA MET 48 2.449 -5.817 16.697 329 HB2 MET 48 HB2 MET 48 1.184 -5.623 13.958 330 HB3 MET 48 HB3 MET 48 2.893 -5.405 14.312 331 HG2 MET 48 HG2 MET 48 1.354 -7.942 14.805 332 HG3 MET 48 HG3 MET 48 2.344 -7.624 13.383 333 HE1 MET 48 HE1 MET 48 4.689 -6.898 13.471 334 HE2 MET 48 HE2 MET 48 5.105 -6.128 15.002 335 HE3 MET 48 HE3 MET 48 5.891 -7.635 14.532 336 H ARG 49 H ARG 49 0.289 -4.202 17.732 337 HA ARG 49 HA ARG 49 -0.151 -2.019 18.197 338 HB2 ARG 49 HB2 ARG 49 2.260 -1.264 16.559 339 HB3 ARG 49 HB3 ARG 49 1.569 -0.420 17.939 340 HG2 ARG 49 HG2 ARG 49 2.181 -2.702 19.151 341 HG3 ARG 49 HG3 ARG 49 3.377 -2.760 17.853 342 HD2 ARG 49 HD2 ARG 49 3.384 -0.129 18.883 343 HD3 ARG 49 HD3 ARG 49 3.408 -1.228 20.262 344 HE ARG 49 HE ARG 49 5.290 -1.976 18.250 345 HH11 ARG 49 HH11 ARG 49 4.745 0.182 20.927 346 HH12 ARG 49 HH12 ARG 49 6.430 0.380 21.280 347 HH21 ARG 49 HH21 ARG 49 7.512 -1.722 18.704 348 HH22 ARG 49 HH22 ARG 49 8.002 -0.703 20.014 349 H ASN 50 H ASN 50 -1.138 -3.316 15.739 350 HA ASN 50 HA ASN 50 -2.436 -2.779 13.950 351 HB2 ASN 50 HB2 ASN 50 -2.203 0.121 14.731 352 HB3 ASN 50 3HB ASN 50 -3.539 -0.689 13.917 353 HD21 ASN 50 HD21 ASN 50 -3.532 0.942 16.329 354 HD22 ASN 50 HD22 ASN 50 -4.193 -0.050 17.580 355 H VAL 51 H VAL 51 0.634 -2.414 14.034 356 HA VAL 51 HA VAL 51 1.225 -0.484 12.016 357 HB VAL 51 HB VAL 51 2.873 -2.806 13.030 358 HG11 VAL 51 HG11 VAL 51 4.669 -1.030 12.087 359 HG12 VAL 51 HG12 VAL 51 4.048 -2.389 11.149 360 HG13 VAL 51 HG13 VAL 51 3.351 -0.781 10.942 361 HG21 VAL 51 HG21 VAL 51 2.164 -0.884 14.600 362 HG22 VAL 51 HG22 VAL 51 3.865 -1.344 14.543 363 HG23 VAL 51 HG23 VAL 51 3.310 0.087 13.676 364 H ALA 52 H ALA 52 0.820 -4.004 12.036 365 HA ALA 52 HA ALA 52 1.571 -4.616 9.456 366 HB1 ALA 52 HB1 ALA 52 -0.861 -5.953 10.509 367 HB2 ALA 52 HB2 ALA 52 0.592 -6.645 9.785 368 HB3 ALA 52 HB3 ALA 52 0.623 -6.077 11.454 369 H GLY 53 H GLY 53 -1.499 -3.293 10.602 370 HA2 GLY 53 HA1 GLY 53 -3.020 -3.545 8.290 371 HA3 GLY 53 HA2 GLY 53 -3.212 -2.262 9.476 372 H GLU 54 H GLU 54 -0.541 -1.184 9.079 373 HA GLU 54 HA GLU 54 -1.091 0.707 7.097 374 HB2 GLU 54 HB2 GLU 54 1.568 -0.097 8.289 375 HB3 GLU 54 HB3 GLU 54 1.300 1.346 7.323 376 HG2 GLU 54 HG2 GLU 54 -0.542 1.830 9.123 377 HG3 GLU 54 HG3 GLU 54 0.435 0.736 10.101 378 H ILE 55 H ILE 55 1.223 -2.004 7.007 379 HA ILE 55 HA ILE 55 1.898 -1.646 4.279 380 HB ILE 55 HB ILE 55 2.227 -3.990 6.142 381 HG12 ILE 55 HG12 ILE 55 4.559 -2.652 4.946 382 HG13 ILE 55 HG13 ILE 55 3.588 -1.620 5.990 383 HG21 ILE 55 HG21 ILE 55 2.162 -5.117 4.133 384 HG22 ILE 55 HG22 ILE 55 2.822 -3.756 3.227 385 HG23 ILE 55 HG23 ILE 55 3.877 -4.722 4.260 386 HD11 ILE 55 HD11 ILE 55 4.326 -2.623 7.832 387 HD12 ILE 55 HD12 ILE 55 4.120 -4.235 7.146 388 HD13 ILE 55 HD13 ILE 55 5.581 -3.309 6.800 389 H ALA 56 H ALA 56 -0.605 -3.444 5.926 390 HA ALA 56 HA ALA 56 -1.400 -5.292 4.073 391 HB1 ALA 56 HB1 ALA 56 -3.438 -5.379 5.155 392 HB2 ALA 56 HB2 ALA 56 -2.399 -4.661 6.388 393 HB3 ALA 56 HB3 ALA 56 -3.481 -3.639 5.440 394 H ALA 57 H ALA 57 -2.145 -1.830 4.096 395 HA ALA 57 HA ALA 57 -3.975 -1.682 2.042 396 HB1 ALA 57 HB1 ALA 57 -1.796 0.232 2.842 397 HB2 ALA 57 HB2 ALA 57 -3.011 0.613 1.623 398 HB3 ALA 57 HB3 ALA 57 -3.503 0.276 3.283 399 H ALA 58 H ALA 58 -0.427 -1.608 1.782 400 HA ALA 58 HA ALA 58 -0.175 -1.259 -0.946 401 HB1 ALA 58 HB1 ALA 58 1.776 -1.164 0.384 402 HB2 ALA 58 HB2 ALA 58 1.531 -2.803 0.991 403 HB3 ALA 58 HB3 ALA 58 1.985 -2.544 -0.694 404 H LEU 59 H LEU 59 -0.748 -4.244 0.860 405 HA LEU 59 HA LEU 59 -0.449 -6.070 -1.229 406 HB2 LEU 59 HB2 LEU 59 -2.491 -6.359 0.952 407 HB3 LEU 59 3HB LEU 59 -1.594 -7.627 0.119 408 HG LEU 59 HG LEU 59 -0.693 -5.805 2.317 409 HD11 LEU 59 HD11 LEU 59 0.320 -8.172 2.905 410 HD12 LEU 59 HD12 LEU 59 -0.977 -8.723 1.845 411 HD13 LEU 59 HD13 LEU 59 -1.356 -7.763 3.275 412 HD21 LEU 59 HD21 LEU 59 1.579 -7.110 1.692 413 HD22 LEU 59 HD22 LEU 59 1.207 -5.473 1.148 414 HD23 LEU 59 HD23 LEU 59 0.917 -6.845 0.078 415 H TYR 60 H TYR 60 -3.579 -4.988 0.096 416 HA TYR 60 HA TYR 60 -5.144 -5.913 -2.008 417 HB2 TYR 60 HB2 TYR 60 -5.772 -3.463 -0.359 418 HB3 TYR 60 3HB TYR 60 -6.912 -4.563 -1.126 419 HD1 TYR 60 HD1 TYR 60 -7.209 -6.862 -0.211 420 HD2 TYR 60 HD2 TYR 60 -4.868 -3.927 1.793 421 HE1 TYR 60 HE1 TYR 60 -7.336 -8.182 1.860 422 HE2 TYR 60 HE2 TYR 60 -4.988 -5.240 3.869 423 HH TYR 60 HH TYR 60 -5.537 -8.184 4.153 424 H ALA 61 H ALA 61 -3.335 -2.939 -1.668 425 HA ALA 61 HA ALA 61 -4.504 -1.437 -3.718 426 HB1 ALA 61 HB1 ALA 61 -2.410 -0.166 -3.747 427 HB2 ALA 61 HB2 ALA 61 -2.968 -0.466 -2.102 428 HB3 ALA 61 HB3 ALA 61 -1.642 -1.418 -2.769 429 H VAL 62 H VAL 62 -1.952 -3.875 -3.799 430 HA VAL 62 HA VAL 62 -1.371 -3.500 -6.581 431 HB VAL 62 HB VAL 62 -0.651 -5.739 -4.688 432 HG11 VAL 62 HG11 VAL 62 0.274 -5.233 -7.513 433 HG12 VAL 62 HG12 VAL 62 0.984 -6.413 -6.411 434 HG13 VAL 62 HG13 VAL 62 -0.686 -6.599 -6.948 435 HG21 VAL 62 HG21 VAL 62 0.304 -3.456 -4.263 436 HG22 VAL 62 HG22 VAL 62 1.497 -4.722 -4.551 437 HG23 VAL 62 HG23 VAL 62 1.104 -3.574 -5.830 438 H LYS 63 H LYS 63 -3.206 -5.878 -4.695 439 HA LYS 63 HA LYS 63 -3.880 -7.669 -6.681 440 HB2 LYS 63 HB2 LYS 63 -5.654 -6.716 -4.424 441 HB3 LYS 63 HB3 LYS 63 -5.863 -8.206 -5.336 442 HG2 LYS 63 HG2 LYS 63 -3.772 -9.065 -4.476 443 HG3 LYS 63 HG3 LYS 63 -3.473 -7.549 -3.625 444 HD2 LYS 63 HD2 LYS 63 -4.555 -8.388 -1.872 445 HD3 LYS 63 HD3 LYS 63 -6.033 -8.381 -2.836 446 HE2 LYS 63 HE2 LYS 63 -4.787 -10.641 -3.726 447 HE3 LYS 63 HE3 LYS 63 -4.315 -10.612 -2.028 448 HZ1 LYS 63 HZ1 LYS 63 -7.131 -10.203 -2.786 449 HZ2 LYS 63 HZ2 LYS 63 -6.492 -10.782 -1.331 450 HZ3 LYS 63 HZ3 LYS 63 -6.497 -11.769 -2.704 451 H LYS 64 H LYS 64 -5.554 -4.664 -5.797 452 HA LYS 64 HA LYS 64 -7.515 -4.944 -7.874 453 HB2 LYS 64 HB2 LYS 64 -7.144 -3.303 -5.583 454 HB3 LYS 64 HB3 LYS 64 -7.306 -2.238 -6.974 455 HG2 LYS 64 HG2 LYS 64 -9.478 -2.722 -7.258 456 HG3 LYS 64 HG3 LYS 64 -9.259 -4.427 -6.855 457 HD2 LYS 64 HD2 LYS 64 -8.797 -2.798 -4.535 458 HD3 LYS 64 HD3 LYS 64 -10.365 -2.407 -5.245 459 HE2 LYS 64 HE2 LYS 64 -9.483 -5.235 -4.726 460 HE3 LYS 64 HE3 LYS 64 -10.315 -4.267 -3.509 461 HZ1 LYS 64 HZ1 LYS 64 -11.338 -5.394 -6.007 462 HZ2 LYS 64 HZ2 LYS 64 -11.977 -3.914 -5.496 463 HZ3 LYS 64 HZ3 LYS 64 -12.082 -5.272 -4.492 464 H ALA 65 H ALA 65 -4.407 -3.402 -7.533 465 HA ALA 65 HA ALA 65 -4.446 -1.537 -9.569 466 HB1 ALA 65 HB1 ALA 65 -2.140 -3.332 -8.819 467 HB2 ALA 65 HB2 ALA 65 -2.031 -1.801 -9.690 468 HB3 ALA 65 HB3 ALA 65 -2.576 -1.824 -8.013 469 H SER 66 H SER 66 -4.245 -5.021 -9.772 470 HA SER 66 HA SER 66 -3.489 -5.087 -12.536 471 HB2 SER 66 HB2 SER 66 -2.862 -7.012 -11.351 472 HB3 SER 66 3HB SER 66 -4.432 -7.150 -10.561 473 HG SER 66 HG SER 66 -4.945 -8.444 -12.121 474 H GLN 67 H GLN 67 -6.474 -4.964 -10.760 475 HA GLN 67 HA GLN 67 -8.162 -5.814 -12.901 476 HB2 GLN 67 HB2 GLN 67 -8.664 -4.417 -10.284 477 HB3 GLN 67 HB3 GLN 67 -9.958 -4.693 -11.442 478 HG2 GLN 67 HG2 GLN 67 -8.903 -7.171 -11.287 479 HG3 GLN 67 HG3 GLN 67 -8.576 -6.575 -9.662 480 HE21 GLN 67 HE21 GLN 67 -10.367 -5.825 -8.399 481 HE22 GLN 67 HE22 GLN 67 -11.948 -6.463 -8.676 482 H LEU 68 H LEU 68 -7.293 -2.646 -11.551 483 HA LEU 68 HA LEU 68 -8.828 -1.198 -13.487 484 HB2 LEU 68 HB2 LEU 68 -6.588 -0.100 -11.813 485 HB3 LEU 68 3HB LEU 68 -7.969 0.764 -12.486 486 HG LEU 68 HG LEU 68 -9.041 -1.197 -10.786 487 HD11 LEU 68 HD11 LEU 68 -7.869 -1.231 -8.845 488 HD12 LEU 68 HD12 LEU 68 -7.164 0.364 -9.110 489 HD13 LEU 68 HD13 LEU 68 -6.517 -1.038 -9.962 490 HD21 LEU 68 HD21 LEU 68 -9.858 0.700 -9.552 491 HD22 LEU 68 HD22 LEU 68 -9.900 1.075 -11.275 492 HD23 LEU 68 HD23 LEU 68 -8.622 1.743 -10.258 493 H GLY 69 H GLY 69 -5.994 -2.891 -13.725 494 HA2 GLY 69 HA1 GLY 69 -4.428 -3.038 -15.401 495 HA3 GLY 69 HA2 GLY 69 -5.416 -1.914 -16.322 496 H VAL 70 H VAL 70 -4.586 -0.699 -13.282 497 HA VAL 70 HA VAL 70 -2.635 1.098 -14.522 498 HB VAL 70 HB VAL 70 -3.013 2.610 -12.720 499 HG11 VAL 70 HG11 VAL 70 -5.814 1.814 -12.898 500 HG12 VAL 70 HG12 VAL 70 -5.015 3.288 -13.452 501 HG13 VAL 70 HG13 VAL 70 -4.994 1.840 -14.459 502 HG21 VAL 70 HG21 VAL 70 -3.791 0.207 -11.310 503 HG22 VAL 70 HG22 VAL 70 -3.270 1.766 -10.673 504 HG23 VAL 70 HG23 VAL 70 -4.965 1.503 -11.083 505 H LYS 71 H LYS 71 -0.906 1.899 -12.888 506 HA LYS 71 HA LYS 71 0.137 -0.317 -11.278 507 HB2 LYS 71 HB2 LYS 71 1.569 1.091 -13.522 508 HB3 LYS 71 HB3 LYS 71 2.447 0.283 -12.230 509 HG2 LYS 71 HG2 LYS 71 2.360 -1.322 -13.891 510 HG3 LYS 71 HG3 LYS 71 1.016 -1.771 -12.838 511 HD2 LYS 71 HD2 LYS 71 -0.515 -1.351 -14.426 512 HD3 LYS 71 HD3 LYS 71 0.292 0.130 -14.942 513 HE2 LYS 71 HE2 LYS 71 1.575 -0.949 -16.497 514 HE3 LYS 71 HE3 LYS 71 1.580 -2.466 -15.600 515 HZ1 LYS 71 HZ1 LYS 71 -0.932 -1.494 -16.777 516 HZ2 LYS 71 HZ2 LYS 71 -0.445 -3.080 -16.449 517 HZ3 LYS 71 HZ3 LYS 71 0.209 -2.252 -17.771 518 H ILE 72 H ILE 72 1.501 0.297 -9.578 519 HA ILE 72 HA ILE 72 1.273 3.127 -8.847 520 HB ILE 72 HB ILE 72 1.773 2.431 -6.565 521 HG12 ILE 72 HG12 ILE 72 2.137 -0.272 -7.848 522 HG13 ILE 72 HG13 ILE 72 3.265 0.610 -6.825 523 HG21 ILE 72 HG21 ILE 72 -0.328 0.585 -7.672 524 HG22 ILE 72 HG22 ILE 72 -0.276 1.350 -6.085 525 HG23 ILE 72 HG23 ILE 72 -0.558 2.327 -7.525 526 HD11 ILE 72 HD11 ILE 72 0.789 -0.872 -6.037 527 HD12 ILE 72 HD12 ILE 72 2.444 -1.088 -5.466 528 HD13 ILE 72 HD13 ILE 72 1.521 0.335 -4.982 529 H ARG 73 H ARG 73 3.218 3.679 -7.210 530 HA ARG 73 HA ARG 73 5.453 4.169 -8.760 531 HB2 ARG 73 HB2 ARG 73 4.638 4.792 -6.184 532 HB3 ARG 73 HB3 ARG 73 6.118 3.875 -5.938 533 HG2 ARG 73 HG2 ARG 73 5.792 6.360 -7.606 534 HG3 ARG 73 HG3 ARG 73 6.630 6.219 -6.059 535 HD2 ARG 73 HD2 ARG 73 8.097 4.476 -7.237 536 HD3 ARG 73 HD3 ARG 73 7.423 5.116 -8.736 537 HE ARG 73 HE ARG 73 8.507 7.141 -7.013 538 HH11 ARG 73 HH11 ARG 73 9.242 4.802 -9.485 539 HH12 ARG 73 HH12 ARG 73 10.658 5.636 -10.036 540 HH21 ARG 73 HH21 ARG 73 10.367 8.248 -7.730 541 HH22 ARG 73 HH22 ARG 73 11.297 7.595 -9.036 542 H ILE 74 H ILE 74 7.147 3.007 -9.407 543 HA ILE 74 HA ILE 74 7.824 0.546 -7.951 544 HB ILE 74 HB ILE 74 8.126 -0.698 -9.993 545 HG12 ILE 74 HG12 ILE 74 7.188 1.802 -11.417 546 HG13 ILE 74 HG13 ILE 74 8.824 1.155 -11.444 547 HG21 ILE 74 HG21 ILE 74 5.458 0.409 -10.568 548 HG22 ILE 74 HG22 ILE 74 5.953 -1.248 -10.224 549 HG23 ILE 74 HG23 ILE 74 5.734 -0.100 -8.902 550 HD11 ILE 74 HD11 ILE 74 8.141 0.235 -13.369 551 HD12 ILE 74 HD12 ILE 74 7.435 -0.986 -12.309 552 HD13 ILE 74 HD13 ILE 74 6.435 0.327 -12.930 553 H LEU 75 H LEU 75 9.920 -0.353 -9.374 554 HA LEU 75 HA LEU 75 12.133 -0.064 -9.825 555 HB2 LEU 75 HB2 LEU 75 10.876 2.307 -10.824 556 HB3 LEU 75 3HB LEU 75 12.435 2.724 -10.117 557 HG LEU 75 HG LEU 75 12.584 2.321 -12.531 558 HD11 LEU 75 HD11 LEU 75 14.560 1.105 -12.462 559 HD12 LEU 75 HD12 LEU 75 13.984 0.050 -11.172 560 HD13 LEU 75 HD13 LEU 75 14.413 1.723 -10.817 561 HD21 LEU 75 HD21 LEU 75 12.440 -0.481 -12.674 562 HD22 LEU 75 HD22 LEU 75 11.385 0.699 -13.455 563 HD23 LEU 75 HD23 LEU 75 10.964 0.051 -11.868 564 H HIS 76 H HIS 76 11.478 3.098 -8.346 565 HA HIS 76 HA HIS 76 12.801 2.246 -5.889 566 HB2 HIS 76 HB2 HIS 76 14.203 4.378 -5.971 567 HB3 HIS 76 3HB HIS 76 14.695 3.069 -7.042 568 HD1 HIS 76 HD1 HIS 76 14.473 3.461 -9.570 569 HD2 HIS 76 HD2 HIS 76 13.180 6.661 -7.258 570 HE1 HIS 76 HE1 HIS 76 14.194 5.379 -11.173 571 H ASP 77 H ASP 77 10.325 2.530 -5.604 572 HA ASP 77 HA ASP 77 9.051 4.976 -5.545 573 HB2 ASP 77 HB2 ASP 77 7.943 2.803 -5.122 574 HB3 ASP 77 3HB ASP 77 8.717 2.733 -3.542 575 H TYR 78 H TYR 78 10.836 3.436 -2.872 576 HA TYR 78 HA TYR 78 11.688 4.281 -0.933 577 HB2 TYR 78 HB2 TYR 78 12.886 5.547 -3.016 578 HB3 TYR 78 3HB TYR 78 12.259 6.926 -2.119 579 HD1 TYR 78 HD1 TYR 78 12.549 6.067 0.660 580 HD2 TYR 78 HD2 TYR 78 15.178 5.522 -2.641 581 HE1 TYR 78 HE1 TYR 78 14.456 5.930 2.209 582 HE2 TYR 78 HE2 TYR 78 17.092 5.384 -1.101 583 HH TYR 78 HH TYR 78 17.636 5.009 1.130 584 H ALA 79 H ALA 79 8.930 4.537 -1.075 585 HA ALA 79 HA ALA 79 8.498 7.088 0.338 586 HB1 ALA 79 HB1 ALA 79 6.161 7.028 -0.495 587 HB2 ALA 79 HB2 ALA 79 7.361 7.213 -1.775 588 HB3 ALA 79 HB3 ALA 79 6.596 5.647 -1.504 589 H GLY 80 H GLY 80 9.314 4.658 1.565 590 HA2 GLY 80 HA1 GLY 80 8.319 4.280 3.854 591 HA3 GLY 80 HA2 GLY 80 6.849 3.862 2.986 592 H ILE 81 H ILE 81 6.982 2.003 1.492 593 HA ILE 81 HA ILE 81 7.850 -0.298 2.742 594 HB ILE 81 HB ILE 81 7.109 0.325 -0.081 595 HG12 ILE 81 HG12 ILE 81 5.323 -1.277 0.385 596 HG13 ILE 81 HG13 ILE 81 6.053 -1.668 1.937 597 HG21 ILE 81 HG21 ILE 81 8.856 -1.199 -0.507 598 HG22 ILE 81 HG22 ILE 81 8.405 -2.216 0.860 599 HG23 ILE 81 HG23 ILE 81 7.372 -2.149 -0.566 600 HD11 ILE 81 HD11 ILE 81 4.046 -0.047 1.837 601 HD12 ILE 81 HD12 ILE 81 5.413 0.333 2.886 602 HD13 ILE 81 HD13 ILE 81 5.246 1.139 1.326 603 H ALA 82 H ALA 82 9.514 1.638 0.291 604 HA ALA 82 HA ALA 82 11.757 -0.125 0.093 605 HB1 ALA 82 HB1 ALA 82 11.776 1.059 -1.809 606 HB2 ALA 82 HB2 ALA 82 10.932 2.427 -1.083 607 HB3 ALA 82 HB3 ALA 82 12.674 2.251 -0.867 608 H PHE 83 H PHE 83 10.848 2.443 2.206 609 HA PHE 83 HA PHE 83 13.288 3.429 3.066 610 HB2 PHE 83 HB2 PHE 83 10.714 3.859 3.788 611 HB3 PHE 83 3HB PHE 83 11.280 2.951 5.186 612 HD1 PHE 83 HD1 PHE 83 14.024 3.857 5.488 613 HD2 PHE 83 HD2 PHE 83 10.527 6.056 4.463 614 HE1 PHE 83 HE1 PHE 83 15.045 5.901 6.402 615 HE2 PHE 83 HE2 PHE 83 11.542 8.104 5.374 616 HZ PHE 83 HZ PHE 83 13.804 8.028 6.344 617 H TRP 84 H TRP 84 11.450 0.728 4.495 618 HA TRP 84 HA TRP 84 13.689 -0.038 6.144 619 HB2 TRP 84 HB2 TRP 84 12.147 -1.136 7.347 620 HB3 TRP 84 3HB TRP 84 10.943 -0.403 6.290 621 HD1 TRP 84 HD1 TRP 84 12.981 -3.672 6.618 622 HE1 TRP 84 HE1 TRP 84 11.648 -5.561 5.490 623 HE3 TRP 84 HE3 TRP 84 9.131 -0.912 4.696 624 HZ2 TRP 84 HZ2 TRP 84 9.277 -5.846 3.984 625 HZ3 TRP 84 HZ3 TRP 84 7.371 -2.070 3.424 626 HH2 TRP 84 HH2 TRP 84 7.445 -4.485 3.076 627 H ALA 85 H ALA 85 12.384 -0.908 3.057 628 HA ALA 85 HA ALA 85 13.431 -3.489 2.765 629 HB1 ALA 85 HB1 ALA 85 13.038 -3.255 0.448 630 HB2 ALA 85 HB2 ALA 85 11.784 -2.310 1.252 631 HB3 ALA 85 HB3 ALA 85 13.172 -1.498 0.526 632 H THR 86 H THR 86 14.995 -0.445 2.868 633 HA THR 86 HA THR 86 17.268 -0.990 1.288 634 HB THR 86 HB THR 86 18.328 0.879 2.397 635 HG1 THR 86 HG1 THR 86 16.297 0.455 4.327 636 HG21 THR 86 HG21 THR 86 16.967 2.462 1.521 637 HG22 THR 86 HG22 THR 86 15.553 1.886 2.403 638 HG23 THR 86 HG23 THR 86 16.070 1.062 0.932 639 H GLY 87 H GLY 87 16.313 -2.086 4.398 640 HA2 GLY 87 HA1 GLY 87 17.509 -4.073 5.210 641 HA3 GLY 87 HA2 GLY 87 19.002 -3.249 4.783 642 H GLU 88 H GLU 88 16.152 -2.946 6.885 643 HA GLU 88 HA GLU 88 17.756 -1.371 8.767 644 HB2 GLU 88 HB2 GLU 88 14.781 -1.884 8.624 645 HB3 GLU 88 HB3 GLU 88 15.564 -0.953 9.894 646 HG2 GLU 88 HG2 GLU 88 15.671 -0.266 6.966 647 HG3 GLU 88 HG3 GLU 88 14.536 0.431 8.122 648 H TRP 89 H TRP 89 15.598 -4.196 8.707 649 HA TRP 89 HA TRP 89 17.045 -5.231 11.051 650 HB2 TRP 89 HB2 TRP 89 14.399 -4.418 11.078 651 HB3 TRP 89 3HB TRP 89 14.283 -6.161 10.853 652 HD1 TRP 89 HD1 TRP 89 15.509 -3.546 13.377 653 HE1 TRP 89 HE1 TRP 89 15.780 -4.688 15.668 654 HE3 TRP 89 HE3 TRP 89 14.697 -8.395 11.972 655 HZ2 TRP 89 HZ2 TRP 89 15.666 -7.297 16.738 656 HZ3 TRP 89 HZ3 TRP 89 14.797 -10.153 13.690 657 HH2 TRP 89 HH2 TRP 89 15.271 -9.614 16.023 658 H LYS 90 H LYS 90 17.015 -7.573 11.256 659 HA LYS 90 HA LYS 90 17.593 -8.864 8.807 660 HB2 LYS 90 HB2 LYS 90 17.300 -9.799 11.645 661 HB3 LYS 90 HB3 LYS 90 17.521 -10.960 10.342 662 HG2 LYS 90 HG2 LYS 90 19.705 -10.652 10.481 663 HG3 LYS 90 HG3 LYS 90 19.480 -8.973 9.987 664 HD2 LYS 90 HD2 LYS 90 18.991 -8.469 12.423 665 HD3 LYS 90 HD3 LYS 90 19.584 -10.092 12.779 666 HE2 LYS 90 HE2 LYS 90 21.344 -8.499 11.057 667 HE3 LYS 90 HE3 LYS 90 21.126 -7.846 12.680 668 HZ1 LYS 90 HZ1 LYS 90 23.013 -9.456 12.381 669 HZ2 LYS 90 HZ2 LYS 90 21.855 -10.674 12.182 670 HZ3 LYS 90 HZ3 LYS 90 21.941 -9.818 13.639 671 H ALA 91 H ALA 91 16.537 -10.700 7.868 672 HA ALA 91 HA ALA 91 13.777 -10.355 7.484 673 HB1 ALA 91 HB1 ALA 91 14.191 -11.668 5.746 674 HB2 ALA 91 HB2 ALA 91 15.830 -11.912 6.349 675 HB3 ALA 91 HB3 ALA 91 14.544 -13.026 6.814 676 H LYS 92 H LYS 92 15.498 -11.929 9.965 677 HA LYS 92 HA LYS 92 13.906 -14.049 10.709 678 HB2 LYS 92 HB2 LYS 92 16.005 -12.611 11.852 679 HB3 LYS 92 HB3 LYS 92 14.702 -12.489 13.025 680 HG2 LYS 92 HG2 LYS 92 14.499 -14.928 13.047 681 HG3 LYS 92 HG3 LYS 92 15.821 -15.042 11.883 682 HD2 LYS 92 HD2 LYS 92 17.175 -13.701 13.615 683 HD3 LYS 92 HD3 LYS 92 15.901 -14.154 14.749 684 HE2 LYS 92 HE2 LYS 92 17.106 -16.299 13.087 685 HE3 LYS 92 HE3 LYS 92 18.081 -15.631 14.394 686 HZ1 LYS 92 HZ1 LYS 92 15.761 -17.338 14.519 687 HZ2 LYS 92 HZ2 LYS 92 15.704 -16.034 15.593 688 HZ3 LYS 92 HZ3 LYS 92 17.004 -17.115 15.646 689 H ASN 93 H ASN 93 13.292 -10.629 11.050 690 HA ASN 93 HA ASN 93 11.168 -10.804 12.912 691 HB2 ASN 93 HB2 ASN 93 12.528 -8.753 11.528 692 HB3 ASN 93 3HB ASN 93 10.824 -8.580 11.117 693 HD21 ASN 93 HD21 ASN 93 12.468 -9.633 14.074 694 HD22 ASN 93 HD22 ASN 93 11.739 -8.453 15.104 695 H GLU 94 H GLU 94 9.330 -11.861 12.595 696 HA GLU 94 HA GLU 94 8.356 -12.529 9.996 697 HB2 GLU 94 HB2 GLU 94 6.881 -12.740 12.623 698 HB3 GLU 94 HB3 GLU 94 6.541 -13.624 11.142 699 HG2 GLU 94 HG2 GLU 94 8.548 -14.887 11.343 700 HG3 GLU 94 HG3 GLU 94 9.114 -13.880 12.674 701 H PHE 95 H PHE 95 5.686 -12.228 10.005 702 HA PHE 95 HA PHE 95 3.956 -10.785 9.649 703 HB2 PHE 95 HB2 PHE 95 5.486 -8.620 11.077 704 HB3 PHE 95 3HB PHE 95 3.742 -8.824 10.941 705 HD1 PHE 95 HD1 PHE 95 2.756 -10.953 12.052 706 HD2 PHE 95 HD2 PHE 95 6.571 -9.315 12.986 707 HE1 PHE 95 HE1 PHE 95 2.724 -12.123 14.216 708 HE2 PHE 95 HE2 PHE 95 6.547 -10.484 15.152 709 HZ PHE 95 HZ PHE 95 4.620 -11.889 15.769 710 H THR 96 H THR 96 6.763 -8.590 9.653 711 HA THR 96 HA THR 96 5.974 -7.214 7.327 712 HB THR 96 HB THR 96 8.868 -7.250 7.832 713 HG1 THR 96 HG1 THR 96 8.812 -6.801 9.911 714 HG21 THR 96 HG21 THR 96 6.714 -5.145 7.694 715 HG22 THR 96 HG22 THR 96 7.952 -5.509 6.491 716 HG23 THR 96 HG23 THR 96 8.405 -4.776 8.029 717 H GLN 97 H GLN 97 8.308 -9.840 7.825 718 HA GLN 97 HA GLN 97 9.412 -10.018 5.313 719 HB2 GLN 97 HB2 GLN 97 9.394 -11.591 7.617 720 HB3 GLN 97 HB3 GLN 97 8.796 -12.657 6.353 721 HG2 GLN 97 HG2 GLN 97 11.005 -11.301 5.269 722 HG3 GLN 97 HG3 GLN 97 11.469 -11.809 6.892 723 HE21 GLN 97 HE21 GLN 97 9.340 -13.312 4.498 724 HE22 GLN 97 HE22 GLN 97 10.219 -14.796 4.388 725 H ALA 98 H ALA 98 6.333 -11.347 6.440 726 HA ALA 98 HA ALA 98 5.579 -12.914 4.327 727 HB1 ALA 98 HB1 ALA 98 3.255 -12.371 4.897 728 HB2 ALA 98 HB2 ALA 98 4.232 -12.675 6.334 729 HB3 ALA 98 HB3 ALA 98 3.819 -11.021 5.881 730 H TYR 99 H TYR 99 5.578 -9.401 4.505 731 HA TYR 99 HA TYR 99 4.060 -8.773 2.275 732 HB2 TYR 99 HB2 TYR 99 4.840 -7.057 3.797 733 HB3 TYR 99 3HB TYR 99 6.515 -7.381 3.363 734 HD1 TYR 99 HD1 TYR 99 3.332 -5.947 2.183 735 HD2 TYR 99 HD2 TYR 99 7.476 -6.465 1.371 736 HE1 TYR 99 HE1 TYR 99 3.188 -4.256 0.402 737 HE2 TYR 99 HE2 TYR 99 7.345 -4.774 -0.410 738 HH TYR 99 HH TYR 99 4.462 -2.861 -0.920 739 H ALA 100 H ALA 100 7.593 -9.234 2.419 740 HA ALA 100 HA ALA 100 8.134 -8.929 -0.290 741 HB1 ALA 100 HB1 ALA 100 9.745 -10.974 1.067 742 HB2 ALA 100 HB2 ALA 100 10.240 -9.488 0.257 743 HB3 ALA 100 HB3 ALA 100 9.635 -9.431 1.913 744 H LYS 101 H LYS 101 6.790 -11.637 1.441 745 HA LYS 101 HA LYS 101 7.214 -13.566 -0.629 746 HB2 LYS 101 HB2 LYS 101 5.101 -13.756 1.505 747 HB3 LYS 101 HB3 LYS 101 5.969 -15.061 0.707 748 HG2 LYS 101 HG2 LYS 101 7.121 -13.096 2.676 749 HG3 LYS 101 HG3 LYS 101 6.741 -14.791 2.983 750 HD2 LYS 101 HD2 LYS 101 8.411 -14.632 0.678 751 HD3 LYS 101 HD3 LYS 101 9.144 -13.680 1.971 752 HE2 LYS 101 HE2 LYS 101 10.009 -15.741 2.455 753 HE3 LYS 101 HE3 LYS 101 8.529 -15.800 3.412 754 HZ1 LYS 101 HZ1 LYS 101 7.593 -17.319 2.043 755 HZ2 LYS 101 HZ2 LYS 101 9.210 -17.719 1.748 756 HZ3 LYS 101 HZ3 LYS 101 8.368 -16.741 0.655 757 H LEU 102 H LEU 102 4.375 -11.732 0.487 758 HA LEU 102 HA LEU 102 2.579 -12.709 -1.435 759 HB2 LEU 102 HB2 LEU 102 2.577 -10.017 -0.078 760 HB3 LEU 102 3HB LEU 102 1.204 -10.772 -0.885 761 HG LEU 102 HG LEU 102 2.531 -11.668 1.670 762 HD11 LEU 102 HD11 LEU 102 -0.172 -10.509 1.027 763 HD12 LEU 102 HD12 LEU 102 1.085 -9.814 2.051 764 HD13 LEU 102 HD13 LEU 102 0.232 -11.268 2.567 765 HD21 LEU 102 HD21 LEU 102 0.177 -13.105 1.273 766 HD22 LEU 102 HD22 LEU 102 1.829 -13.721 1.193 767 HD23 LEU 102 HD23 LEU 102 1.020 -13.169 -0.275 768 H MET 103 H MET 103 5.193 -10.533 -1.720 769 HA MET 103 HA MET 103 4.378 -8.834 -3.763 770 HB2 MET 103 HB2 MET 103 6.526 -8.683 -2.494 771 HB3 MET 103 HB3 MET 103 7.133 -10.035 -3.442 772 HG2 MET 103 HG2 MET 103 6.214 -8.226 -5.331 773 HG3 MET 103 HG3 MET 103 6.987 -7.229 -4.101 774 HE1 MET 103 HE1 MET 103 9.332 -8.149 -7.383 775 HE2 MET 103 HE2 MET 103 7.572 -8.082 -7.285 776 HE3 MET 103 HE3 MET 103 8.543 -6.761 -6.634 777 H ASN 104 H ASN 104 6.391 -11.745 -4.230 778 HA ASN 104 HA ASN 104 6.136 -11.890 -6.986 779 HB2 ASN 104 HB2 ASN 104 7.784 -13.214 -5.797 780 HB3 ASN 104 3HB ASN 104 6.516 -14.127 -4.985 781 HD21 ASN 104 HD21 ASN 104 5.185 -15.520 -6.265 782 HD22 ASN 104 HD22 ASN 104 5.803 -16.202 -7.728 783 H GLN 105 H GLN 105 3.966 -12.989 -4.473 784 HA GLN 105 HA GLN 105 2.349 -14.762 -5.814 785 HB2 GLN 105 HB2 GLN 105 2.230 -13.340 -3.404 786 HB3 GLN 105 HB3 GLN 105 0.737 -12.945 -4.245 787 HG2 GLN 105 HG2 GLN 105 1.692 -15.765 -3.848 788 HG3 GLN 105 HG3 GLN 105 0.656 -14.925 -2.694 789 HE21 GLN 105 HE21 GLN 105 -1.166 -13.669 -4.074 790 HE22 GLN 105 HE22 GLN 105 -2.073 -14.729 -5.093 791 H TYR 106 H TYR 106 2.049 -11.219 -5.745 792 HA TYR 106 HA TYR 106 0.406 -11.410 -8.183 793 HB2 TYR 106 HB2 TYR 106 -0.506 -9.114 -7.266 794 HB3 TYR 106 3HB TYR 106 -1.177 -10.637 -6.694 795 HD1 TYR 106 HD1 TYR 106 1.531 -8.206 -5.844 796 HD2 TYR 106 HD2 TYR 106 -1.382 -10.958 -4.415 797 HE1 TYR 106 HE1 TYR 106 2.072 -7.568 -3.531 798 HE2 TYR 106 HE2 TYR 106 -0.850 -10.327 -2.098 799 HH TYR 106 HH TYR 106 0.284 -8.922 -0.786 800 H ARG 107 H ARG 107 3.285 -11.118 -7.956 801 HA ARG 107 HA ARG 107 3.979 -8.386 -8.434 802 HB2 ARG 107 HB2 ARG 107 5.755 -9.629 -7.594 803 HB3 ARG 107 HB3 ARG 107 5.414 -11.007 -8.633 804 HG2 ARG 107 HG2 ARG 107 6.183 -8.520 -10.012 805 HG3 ARG 107 HG3 ARG 107 7.437 -9.293 -9.040 806 HD2 ARG 107 HD2 ARG 107 7.541 -11.126 -10.384 807 HD3 ARG 107 HD3 ARG 107 5.835 -11.037 -10.818 808 HE ARG 107 HE ARG 107 6.412 -9.796 -12.645 809 HH11 ARG 107 HH11 ARG 107 9.045 -9.734 -10.367 810 HH12 ARG 107 HH12 ARG 107 10.124 -8.902 -11.437 811 HH21 ARG 107 HH21 ARG 107 7.823 -8.700 -14.063 812 HH22 ARG 107 HH22 ARG 107 9.427 -8.314 -13.539 813 H GLY 108 H GLY 108 4.085 -7.280 -10.304 814 HA2 GLY 108 HA1 GLY 108 4.643 -7.974 -12.824 815 HA3 GLY 108 HA2 GLY 108 2.990 -8.551 -12.680 816 H ILE 109 H ILE 109 2.557 -6.210 -10.741 817 HA ILE 109 HA ILE 109 2.164 -4.175 -12.836 818 HB ILE 109 HB ILE 109 0.342 -3.325 -11.233 819 HG12 ILE 109 HG12 ILE 109 1.270 -5.109 -9.492 820 HG13 ILE 109 HG13 ILE 109 -0.431 -4.655 -9.530 821 HG21 ILE 109 HG21 ILE 109 -1.247 -5.174 -12.092 822 HG22 ILE 109 HG22 ILE 109 -0.401 -4.163 -13.264 823 HG23 ILE 109 HG23 ILE 109 0.182 -5.792 -12.919 824 HD11 ILE 109 HD11 ILE 109 -1.015 -6.633 -10.692 825 HD12 ILE 109 HD12 ILE 109 0.676 -7.034 -10.990 826 HD13 ILE 109 HD13 ILE 109 0.028 -7.104 -9.352 827 H TYR 110 H TYR 110 3.189 -4.780 -9.538 828 HA TYR 110 HA TYR 110 4.298 -2.053 -9.451 829 HB2 TYR 110 HB2 TYR 110 3.645 -1.737 -7.260 830 HB3 TYR 110 3HB TYR 110 2.293 -2.683 -7.871 831 HD1 TYR 110 HD1 TYR 110 2.756 -5.348 -7.677 832 HD2 TYR 110 HD2 TYR 110 4.452 -2.340 -5.192 833 HE1 TYR 110 HE1 TYR 110 3.124 -7.022 -5.914 834 HE2 TYR 110 HE2 TYR 110 4.826 -4.006 -3.421 835 HH TYR 110 HH TYR 110 4.718 -6.155 -2.862 836 H SER 111 H SER 111 5.987 -2.002 -7.520 837 HA SER 111 HA SER 111 7.492 -4.375 -7.064 838 HB2 SER 111 HB2 SER 111 8.384 -4.277 -9.210 839 HB3 SER 111 3HB SER 111 8.347 -2.514 -9.254 840 HG SER 111 HG SER 111 10.300 -2.512 -8.504 841 H PHE 112 H PHE 112 9.491 -3.940 -5.845 842 HA PHE 112 HA PHE 112 9.897 -1.275 -4.818 843 HB2 PHE 112 HB2 PHE 112 8.546 -3.406 -3.212 844 HB3 PHE 112 3HB PHE 112 9.647 -2.298 -2.400 845 HD1 PHE 112 HD1 PHE 112 9.189 0.165 -2.508 846 HD2 PHE 112 HD2 PHE 112 6.369 -2.754 -3.792 847 HE1 PHE 112 HE1 PHE 112 7.391 1.838 -2.354 848 HE2 PHE 112 HE2 PHE 112 4.568 -1.085 -3.641 849 HZ PHE 112 HZ PHE 112 5.077 1.214 -2.923 850 H GLU 113 H GLU 113 11.604 -1.368 -2.990 851 HA GLU 113 HA GLU 113 13.917 -2.561 -4.014 852 HB2 GLU 113 HB2 GLU 113 13.287 -0.763 -1.955 853 HB3 GLU 113 HB3 GLU 113 14.138 -2.088 -1.173 854 HG2 GLU 113 HG2 GLU 113 16.067 -1.283 -1.875 855 HG3 GLU 113 HG3 GLU 113 15.538 -1.435 -3.549 856 H LYS 114 H LYS 114 15.301 -3.773 -2.036 857 HA LYS 114 HA LYS 114 14.191 -6.415 -2.058 858 HB2 LYS 114 HB2 LYS 114 16.609 -5.999 -2.317 859 HB3 LYS 114 HB3 LYS 114 16.669 -5.366 -0.677 860 HG2 LYS 114 HG2 LYS 114 16.797 -7.400 0.213 861 HG3 LYS 114 HG3 LYS 114 15.494 -8.020 -0.804 862 HD2 LYS 114 HD2 LYS 114 16.964 -8.552 -2.555 863 HD3 LYS 114 HD3 LYS 114 18.254 -7.546 -1.891 864 HE2 LYS 114 HE2 LYS 114 18.777 -9.870 -1.516 865 HE3 LYS 114 HE3 LYS 114 18.423 -9.095 0.028 866 HZ1 LYS 114 HZ1 LYS 114 16.872 -10.611 0.384 867 HZ2 LYS 114 HZ2 LYS 114 17.194 -11.340 -1.107 868 HZ3 LYS 114 HZ3 LYS 114 16.033 -10.116 -1.000 869 H VAL 115 H VAL 115 12.233 -5.574 -0.821 870 HA VAL 115 HA VAL 115 12.315 -4.863 1.869 871 HB VAL 115 HB VAL 115 9.992 -5.950 1.959 872 HG11 VAL 115 HG11 VAL 115 9.994 -3.649 1.704 873 HG12 VAL 115 HG12 VAL 115 10.810 -3.719 0.140 874 HG13 VAL 115 HG13 VAL 115 9.114 -4.185 0.273 875 HG21 VAL 115 HG21 VAL 115 9.153 -7.061 0.199 876 HG22 VAL 115 HG22 VAL 115 9.885 -5.962 -0.971 877 HG23 VAL 115 HG23 VAL 115 10.841 -7.268 -0.270 878 H LYS 116 H LYS 116 13.013 -5.922 3.592 879 HA LYS 116 HA LYS 116 13.062 -8.866 3.517 880 HB2 LYS 116 HB2 LYS 116 14.901 -6.847 4.749 881 HB3 LYS 116 HB3 LYS 116 14.796 -8.463 5.437 882 HG2 LYS 116 HG2 LYS 116 15.162 -9.155 2.904 883 HG3 LYS 116 HG3 LYS 116 15.929 -7.566 2.851 884 HD2 LYS 116 HD2 LYS 116 17.320 -8.236 4.799 885 HD3 LYS 116 HD3 LYS 116 16.617 -9.852 4.698 886 HE2 LYS 116 HE2 LYS 116 17.764 -10.380 2.799 887 HE3 LYS 116 HE3 LYS 116 17.807 -8.713 2.230 888 HZ1 LYS 116 HZ1 LYS 116 19.503 -9.938 4.330 889 HZ2 LYS 116 HZ2 LYS 116 19.443 -8.273 4.037 890 HZ3 LYS 116 HZ3 LYS 116 20.000 -9.324 2.834 891 H ALA 117 H ALA 117 13.277 -6.509 6.170 892 HA ALA 117 HA ALA 117 10.724 -6.903 7.232 893 HB1 ALA 117 HB1 ALA 117 12.817 -8.794 8.265 894 HB2 ALA 117 HB2 ALA 117 11.401 -8.341 9.217 895 HB3 ALA 117 HB3 ALA 117 11.199 -9.163 7.669 896 H HIS 118 H HIS 118 10.351 -5.517 8.903 897 HA HIS 118 HA HIS 118 12.473 -4.525 10.569 898 HB2 HIS 118 HB2 HIS 118 12.837 -3.176 8.550 899 HB3 HIS 118 3HB HIS 118 11.158 -2.646 8.594 900 HD1 HIS 118 HD1 HIS 118 11.057 -0.317 9.386 901 HD2 HIS 118 HD2 HIS 118 13.998 -2.483 11.366 902 HE1 HIS 118 HE1 HIS 118 12.059 1.278 11.052 903 H SER 119 H SER 119 11.711 -3.210 12.303 904 HA SER 119 HA SER 119 9.198 -3.960 13.298 905 HB2 SER 119 HB2 SER 119 9.747 -1.812 14.826 906 HB3 SER 119 3HB SER 119 10.547 -3.369 15.044 907 HG SER 119 HG SER 119 12.354 -2.551 14.309 908 H GLY 120 H GLY 120 10.147 -0.572 12.772 909 HA2 GLY 120 HA1 GLY 120 8.292 0.196 10.898 910 HA3 GLY 120 HA2 GLY 120 7.420 0.232 12.425 911 H ASN 121 H ASN 121 7.680 2.533 10.996 912 HA ASN 121 HA ASN 121 8.826 4.289 12.873 913 HB2 ASN 121 HB2 ASN 121 10.695 5.194 11.619 914 HB3 ASN 121 3HB ASN 121 10.935 3.464 11.847 915 HD21 ASN 121 HD21 ASN 121 11.097 5.917 9.670 916 HD22 ASN 121 HD22 ASN 121 11.009 5.008 8.203 917 H GLU 122 H GLU 122 9.426 6.455 11.156 918 HA GLU 122 HA GLU 122 6.754 7.261 10.467 919 HB2 GLU 122 HB2 GLU 122 7.771 9.424 9.928 920 HB3 GLU 122 HB3 GLU 122 8.299 8.846 11.501 921 HG2 GLU 122 HG2 GLU 122 10.397 8.060 10.479 922 HG3 GLU 122 HG3 GLU 122 9.868 8.728 8.936 923 H PHE 123 H PHE 123 8.642 5.253 8.903 924 HA PHE 123 HA PHE 123 9.132 6.165 6.355 925 HB2 PHE 123 HB2 PHE 123 9.092 3.881 5.633 926 HB3 PHE 123 3HB PHE 123 9.713 3.899 7.280 927 HD1 PHE 123 HD1 PHE 123 8.001 3.457 9.162 928 HD2 PHE 123 HD2 PHE 123 7.348 2.473 5.072 929 HE1 PHE 123 HE1 PHE 123 6.280 1.830 9.831 930 HE2 PHE 123 HE2 PHE 123 5.625 0.846 5.735 931 HZ PHE 123 HZ PHE 123 5.089 0.523 8.117 932 H ASN 124 H ASN 124 6.080 5.113 7.754 933 HA ASN 124 HA ASN 124 4.641 5.221 5.277 934 HB2 ASN 124 HB2 ASN 124 2.676 4.770 6.595 935 HB3 ASN 124 3HB ASN 124 3.988 3.771 7.212 936 HD21 ASN 124 HD21 ASN 124 1.442 5.369 8.213 937 HD22 ASN 124 HD22 ASN 124 1.983 5.957 9.744 938 H ASP 125 H ASP 125 5.065 7.358 8.054 939 HA ASP 125 HA ASP 125 3.162 9.287 7.489 940 HB2 ASP 125 HB2 ASP 125 5.832 9.367 8.846 941 HB3 ASP 125 3HB ASP 125 4.962 10.871 8.558 942 H TYR 126 H TYR 126 6.119 8.581 5.851 943 HA TYR 126 HA TYR 126 6.642 11.037 4.618 944 HB2 TYR 126 HB2 TYR 126 8.314 9.366 4.470 945 HB3 TYR 126 3HB TYR 126 7.195 8.193 3.786 946 HD1 TYR 126 HD1 TYR 126 6.414 8.470 1.430 947 HD2 TYR 126 HD2 TYR 126 9.497 10.891 3.085 948 HE1 TYR 126 HE1 TYR 126 7.117 9.114 -0.837 949 HE2 TYR 126 HE2 TYR 126 10.208 11.543 0.823 950 HH TYR 126 HH TYR 126 10.036 10.951 -1.402 951 H VAL 127 H VAL 127 4.592 8.332 3.588 952 HA VAL 127 HA VAL 127 3.863 9.264 1.073 953 HB VAL 127 HB VAL 127 1.988 7.798 1.161 954 HG11 VAL 127 HG11 VAL 127 4.115 6.575 2.913 955 HG12 VAL 127 HG12 VAL 127 2.996 5.728 1.844 956 HG13 VAL 127 HG13 VAL 127 4.251 6.764 1.166 957 HG21 VAL 127 HG21 VAL 127 1.810 6.764 3.718 958 HG22 VAL 127 HG22 VAL 127 2.002 8.498 3.979 959 HG23 VAL 127 HG23 VAL 127 0.686 7.898 2.970 960 H ASP 128 H ASP 128 2.990 10.431 4.183 961 HA ASP 128 HA ASP 128 0.509 11.621 3.616 962 HB2 ASP 128 HB2 ASP 128 2.605 12.630 5.550 963 HB3 ASP 128 3HB ASP 128 0.875 12.963 5.598 964 H MET 129 H MET 129 3.809 12.927 3.430 965 HA MET 129 HA MET 129 2.967 15.480 2.471 966 HB2 MET 129 HB2 MET 129 5.159 14.878 3.675 967 HB3 MET 129 HB3 MET 129 5.720 14.319 2.105 968 HG2 MET 129 HG2 MET 129 5.484 16.507 1.169 969 HG3 MET 129 HG3 MET 129 4.704 17.100 2.633 970 HE1 MET 129 HE1 MET 129 7.802 14.637 3.197 971 HE2 MET 129 HE2 MET 129 7.779 15.108 1.498 972 HE3 MET 129 HE3 MET 129 9.076 15.672 2.551 973 H LYS 130 H LYS 130 4.319 12.582 0.941 974 HA LYS 130 HA LYS 130 4.510 13.598 -1.666 975 HB2 LYS 130 HB2 LYS 130 5.020 11.164 -0.399 976 HB3 LYS 130 HB3 LYS 130 3.803 10.782 -1.610 977 HG2 LYS 130 HG2 LYS 130 6.333 12.282 -2.229 978 HG3 LYS 130 HG3 LYS 130 6.181 10.527 -2.351 979 HD2 LYS 130 HD2 LYS 130 5.248 10.718 -4.358 980 HD3 LYS 130 HD3 LYS 130 3.983 11.758 -3.702 981 HE2 LYS 130 HE2 LYS 130 6.680 12.909 -4.241 982 HE3 LYS 130 HE3 LYS 130 5.588 12.616 -5.594 983 HZ1 LYS 130 HZ1 LYS 130 3.917 13.872 -4.053 984 HZ2 LYS 130 HZ2 LYS 130 5.007 14.731 -5.019 985 HZ3 LYS 130 HZ3 LYS 130 5.328 14.512 -3.373 986 H ALA 131 H ALA 131 1.935 11.617 -0.195 987 HA ALA 131 HA ALA 131 0.195 11.528 -2.342 988 HB1 ALA 131 HB1 ALA 131 -0.254 10.168 -0.458 989 HB2 ALA 131 HB2 ALA 131 -0.357 11.564 0.615 990 HB3 ALA 131 HB3 ALA 131 -1.609 11.290 -0.597 991 H LYS 132 H LYS 132 0.741 14.106 -0.026 992 HA LYS 132 HA LYS 132 -1.487 15.689 -0.428 993 HB2 LYS 132 HB2 LYS 132 1.050 15.978 0.782 994 HB3 LYS 132 HB3 LYS 132 0.850 17.356 -0.292 995 HG2 LYS 132 HG2 LYS 132 -1.564 17.321 0.919 996 HG3 LYS 132 HG3 LYS 132 -0.537 16.687 2.208 997 HD2 LYS 132 HD2 LYS 132 0.996 18.655 1.771 998 HD3 LYS 132 HD3 LYS 132 -0.291 19.316 0.760 999 HE2 LYS 132 HE2 LYS 132 -1.161 20.210 2.601 1000 HE3 LYS 132 HE3 LYS 132 -1.546 18.574 3.136 1001 HZ1 LYS 132 HZ1 LYS 132 0.898 20.135 3.766 1002 HZ2 LYS 132 HZ2 LYS 132 0.708 18.497 4.140 1003 HZ3 LYS 132 HZ3 LYS 132 -0.312 19.647 4.844 1004 H SER 133 H SER 133 1.277 15.194 -2.502 1005 HA SER 133 HA SER 133 0.665 17.396 -4.247 1006 HB2 SER 133 HB2 SER 133 2.814 15.496 -3.925 1007 HB3 SER 133 3HB SER 133 2.322 15.579 -5.617 1008 HG SER 133 HG SER 133 3.865 17.257 -4.377 1009 H ALA 134 H ALA 134 0.100 13.922 -4.211 1010 HA ALA 134 HA ALA 134 -0.874 13.670 -6.845 1011 HB1 ALA 134 HB1 ALA 134 -0.155 11.781 -5.401 1012 HB2 ALA 134 HB2 ALA 134 -1.634 11.987 -4.464 1013 HB3 ALA 134 HB3 ALA 134 -1.725 11.532 -6.166 1014 H LEU 135 H LEU 135 -2.505 14.311 -3.765 1015 HA LEU 135 HA LEU 135 -5.140 14.244 -4.767 1016 HB2 LEU 135 HB2 LEU 135 -4.976 14.078 -2.461 1017 HB3 LEU 135 3HB LEU 135 -3.842 15.421 -2.346 1018 HG LEU 135 HG LEU 135 -6.600 16.035 -3.256 1019 HD11 LEU 135 HD11 LEU 135 -5.880 15.146 -0.483 1020 HD12 LEU 135 HD12 LEU 135 -7.243 14.651 -1.487 1021 HD13 LEU 135 HD13 LEU 135 -7.207 16.268 -0.784 1022 HD21 LEU 135 HD21 LEU 135 -5.858 18.091 -2.885 1023 HD22 LEU 135 HD22 LEU 135 -4.301 17.435 -2.379 1024 HD23 LEU 135 HD23 LEU 135 -5.574 17.701 -1.188 1025 H GLY 136 H GLY 136 -2.942 16.979 -4.146 1026 HA2 GLY 136 HA1 GLY 136 -2.878 18.685 -5.950 1027 HA3 GLY 136 HA2 GLY 136 -4.633 18.592 -5.957 1028 H ILE 137 H ILE 137 -1.828 19.599 -4.082 1029 HA ILE 137 HA ILE 137 -3.597 21.356 -2.510 1030 HB ILE 137 HB ILE 137 -0.884 20.273 -1.744 1031 HG12 ILE 137 HG12 ILE 137 -2.719 18.606 -1.662 1032 HG13 ILE 137 HG13 ILE 137 -2.076 18.979 -0.066 1033 HG21 ILE 137 HG21 ILE 137 -2.787 22.079 -0.263 1034 HG22 ILE 137 HG22 ILE 137 -1.374 21.309 0.455 1035 HG23 ILE 137 HG23 ILE 137 -1.172 22.484 -0.844 1036 HD11 ILE 137 HD11 ILE 137 -4.637 20.009 -1.260 1037 HD12 ILE 137 HD12 ILE 137 -4.467 18.828 0.039 1038 HD13 ILE 137 HD13 ILE 137 -3.980 20.503 0.300 1039 H ARG 138 H ARG 138 -3.119 23.510 -2.343 1040 HA ARG 138 HA ARG 138 -1.815 24.789 -4.429 1041 HB2 ARG 138 HB2 ARG 138 -1.817 26.802 -2.863 1042 HB3 ARG 138 HB3 ARG 138 -3.375 26.058 -3.199 1043 HG2 ARG 138 HG2 ARG 138 -2.110 24.894 -0.871 1044 HG3 ARG 138 HG3 ARG 138 -2.317 26.640 -0.712 1045 HD2 ARG 138 HD2 ARG 138 -4.612 25.105 -1.780 1046 HD3 ARG 138 HD3 ARG 138 -4.227 24.880 -0.074 1047 HE ARG 138 HE ARG 138 -4.252 27.563 -0.328 1048 HH11 ARG 138 HH11 ARG 138 -6.505 25.078 -1.259 1049 HH12 ARG 138 HH12 ARG 138 -7.899 26.091 -1.078 1050 HH21 ARG 138 HH21 ARG 138 -6.079 28.907 -0.084 1051 HH22 ARG 138 HH22 ARG 138 -7.656 28.269 -0.409 1052 H ASP 139 H ASP 139 0.027 26.425 -4.060 1053 HA ASP 139 HA ASP 139 2.038 25.989 -2.172 1054 HB2 ASP 139 HB2 ASP 139 1.949 23.872 -3.935 1055 HB3 ASP 139 3HB ASP 139 3.191 24.907 -4.636 1056 H LEU 140 H LEU 140 3.828 27.354 -2.468 1057 HA LEU 140 HA LEU 140 4.074 28.876 -4.917 1058 HB2 LEU 140 HB2 LEU 140 2.897 29.970 -2.429 1059 HB3 LEU 140 3HB LEU 140 4.044 30.992 -3.291 1060 HG LEU 140 HG LEU 140 2.001 29.869 -5.038 1061 HD11 LEU 140 HD11 LEU 140 0.161 31.228 -4.211 1062 HD12 LEU 140 HD12 LEU 140 1.130 31.716 -2.821 1063 HD13 LEU 140 HD13 LEU 140 0.646 30.031 -3.011 1064 HD21 LEU 140 HD21 LEU 140 1.774 32.454 -5.385 1065 HD22 LEU 140 HD22 LEU 140 3.195 31.592 -5.977 1066 HD23 LEU 140 HD23 LEU 140 3.280 32.501 -4.468 1067 H GLU 141 H GLU 141 6.081 27.574 -4.649 1068 HA GLU 141 HA GLU 141 8.217 29.200 -3.823 1069 HB2 GLU 141 HB2 GLU 141 9.092 27.841 -1.955 1070 HB3 GLU 141 HB3 GLU 141 7.561 28.611 -1.564 1071 HG2 GLU 141 HG2 GLU 141 6.389 26.517 -1.968 1072 HG3 GLU 141 HG3 GLU 141 7.912 25.739 -2.395 1073 H HIS 142 H HIS 142 10.273 27.546 -3.480 1074 HA HIS 142 HA HIS 142 10.192 25.204 -5.104 1075 HB2 HIS 142 HB2 HIS 142 10.746 27.757 -6.389 1076 HB3 HIS 142 3HB HIS 142 12.076 26.618 -6.584 1077 HD1 HIS 142 HD1 HIS 142 11.015 24.066 -7.310 1078 HD2 HIS 142 HD2 HIS 142 8.998 27.524 -8.420 1079 HE1 HIS 142 HE1 HIS 142 9.545 23.398 -9.239 1080 H HIS 143 H HIS 143 11.304 24.151 -3.524 1081 HA HIS 143 HA HIS 143 14.112 24.344 -3.483 1082 HB2 HIS 143 HB2 HIS 143 14.502 25.146 -1.220 1083 HB3 HIS 143 3HB HIS 143 13.638 26.372 -2.144 1084 HD1 HIS 143 HD1 HIS 143 13.594 24.768 1.038 1085 HD2 HIS 143 HD2 HIS 143 10.681 26.158 -1.579 1086 HE1 HIS 143 HE1 HIS 143 11.512 25.029 2.426 1087 H HIS 144 H HIS 144 15.047 22.954 -1.650 1088 HA HIS 144 HA HIS 144 15.174 20.932 -0.616 1089 HB2 HIS 144 HB2 HIS 144 13.304 21.972 0.743 1090 HB3 HIS 144 3HB HIS 144 12.177 21.091 -0.283 1091 HD1 HIS 144 HD1 HIS 144 11.774 20.251 2.411 1092 HD2 HIS 144 HD2 HIS 144 14.946 18.689 0.230 1093 HE1 HIS 144 HE1 HIS 144 12.393 18.107 3.569 1094 H HIS 145 H HIS 145 15.770 19.481 -2.117 1095 HA HIS 145 HA HIS 145 13.942 17.563 -3.061 1096 HB2 HIS 145 HB2 HIS 145 13.959 19.872 -4.637 1097 HB3 HIS 145 3HB HIS 145 14.957 18.720 -5.520 1098 HD1 HIS 145 HD1 HIS 145 11.866 19.813 -6.009 1099 HD2 HIS 145 HD2 HIS 145 13.171 16.019 -4.932 1100 HE1 HIS 145 HE1 HIS 145 10.029 18.246 -6.712 1101 H HIS 146 H HIS 146 15.083 15.753 -3.220 1102 HA HIS 146 HA HIS 146 17.818 15.865 -4.268 1103 HB2 HIS 146 HB2 HIS 146 17.661 15.848 -1.673 1104 HB3 HIS 146 3HB HIS 146 17.205 14.159 -1.873 1105 HD1 HIS 146 HD1 HIS 146 19.106 13.085 -3.865 1106 HD2 HIS 146 HD2 HIS 146 20.274 15.875 -1.016 1107 HE1 HIS 146 HE1 HIS 146 21.599 12.827 -3.653 1108 H HIS 147 H HIS 147 15.591 13.450 -2.871 1109 HA HIS 147 HA HIS 147 15.041 12.157 -5.310 1110 HB2 HIS 147 HB2 HIS 147 17.532 11.404 -4.005 1111 HB3 HIS 147 3HB HIS 147 16.446 10.030 -4.198 1112 HD1 HIS 147 HD1 HIS 147 19.084 11.610 -5.902 1113 HD2 HIS 147 HD2 HIS 147 15.408 10.083 -7.091 1114 HE1 HIS 147 HE1 HIS 147 19.290 11.211 -8.377 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -9.888 3.030 -17.524 2 HA MET 1 HA MET 1 -7.572 2.166 -17.202 3 HB2 MET 1 HB2 MET 1 -9.024 2.221 -19.543 4 HB3 MET 1 HB3 MET 1 -7.471 2.880 -20.038 5 HG2 MET 1 HG2 MET 1 -6.342 0.933 -19.579 6 HG3 MET 1 HG3 MET 1 -7.547 0.382 -18.419 7 HE1 MET 1 HE1 MET 1 -6.598 1.208 -21.829 8 HE2 MET 1 HE2 MET 1 -6.696 -0.421 -22.499 9 HE3 MET 1 HE3 MET 1 -7.962 0.758 -22.853 10 H ASP 2 H ASP 2 -5.320 2.479 -17.953 11 HA ASP 2 HA ASP 2 -3.397 3.690 -18.058 12 HB2 ASP 2 HB2 ASP 2 -4.925 4.741 -20.007 13 HB3 ASP 2 3HB ASP 2 -4.745 6.166 -18.987 14 H ASP 3 H ASP 3 -2.237 5.475 -17.045 15 HA ASP 3 HA ASP 3 -3.700 7.050 -15.089 16 HB2 ASP 3 HB2 ASP 3 -2.869 6.105 -13.182 17 HB3 ASP 3 3HB ASP 3 -2.888 4.667 -14.200 18 H ARG 4 H ARG 4 -2.698 8.943 -14.574 19 HA ARG 4 HA ARG 4 -0.144 9.459 -15.939 20 HB2 ARG 4 HB2 ARG 4 -0.771 11.734 -16.126 21 HB3 ARG 4 HB3 ARG 4 -2.201 10.806 -16.559 22 HG2 ARG 4 HG2 ARG 4 -2.898 11.109 -14.110 23 HG3 ARG 4 HG3 ARG 4 -1.663 12.370 -14.064 24 HD2 ARG 4 HD2 ARG 4 -3.816 12.303 -16.159 25 HD3 ARG 4 HD3 ARG 4 -4.046 13.094 -14.600 26 HE ARG 4 HE ARG 4 -1.715 14.139 -15.573 27 HH11 ARG 4 HH11 ARG 4 -4.994 13.906 -16.720 28 HH12 ARG 4 HH12 ARG 4 -4.915 15.373 -17.639 29 HH21 ARG 4 HH21 ARG 4 -1.598 16.072 -16.778 30 HH22 ARG 4 HH22 ARG 4 -2.983 16.603 -17.672 31 H THR 5 H THR 5 -0.706 8.313 -13.176 32 HA THR 5 HA THR 5 0.491 10.357 -11.469 33 HB THR 5 HB THR 5 0.183 8.571 -9.670 34 HG1 THR 5 HG1 THR 5 -1.578 7.414 -11.574 35 HG21 THR 5 HG21 THR 5 -2.449 9.253 -10.912 36 HG22 THR 5 HG22 THR 5 -1.396 10.546 -10.340 37 HG23 THR 5 HG23 THR 5 -1.961 9.308 -9.220 38 H GLU 6 H GLU 6 2.315 9.789 -10.074 39 HA GLU 6 HA GLU 6 3.938 7.544 -10.434 40 HB2 GLU 6 HB2 GLU 6 5.822 8.708 -11.699 41 HB3 GLU 6 HB3 GLU 6 4.437 8.182 -12.644 42 HG2 GLU 6 HG2 GLU 6 3.547 10.477 -12.565 43 HG3 GLU 6 HG3 GLU 6 4.996 10.983 -11.699 44 H TYR 7 H TYR 7 3.180 8.816 -8.207 45 HA TYR 7 HA TYR 7 5.687 10.011 -7.241 46 HB2 TYR 7 HB2 TYR 7 2.956 11.127 -7.143 47 HB3 TYR 7 3HB TYR 7 3.858 11.216 -5.633 48 HD1 TYR 7 HD1 TYR 7 6.530 11.841 -6.296 49 HD2 TYR 7 HD2 TYR 7 2.982 13.144 -8.251 50 HE1 TYR 7 HE1 TYR 7 7.721 13.829 -7.120 51 HE2 TYR 7 HE2 TYR 7 4.164 15.135 -9.082 52 HH TYR 7 HH TYR 7 6.939 16.264 -7.871 53 H ASP 8 H ASP 8 2.708 9.534 -5.440 54 HA ASP 8 HA ASP 8 3.649 7.078 -4.231 55 HB2 ASP 8 HB2 ASP 8 4.619 9.265 -3.048 56 HB3 ASP 8 3HB ASP 8 3.043 9.227 -2.261 57 H VAL 9 H VAL 9 2.056 6.078 -2.857 58 HA VAL 9 HA VAL 9 -0.663 6.910 -3.575 59 HB VAL 9 HB VAL 9 0.445 4.270 -2.630 60 HG11 VAL 9 HG11 VAL 9 -2.427 5.105 -2.990 61 HG12 VAL 9 HG12 VAL 9 -1.894 3.426 -2.883 62 HG13 VAL 9 HG13 VAL 9 -1.656 4.517 -1.517 63 HG21 VAL 9 HG21 VAL 9 -0.018 3.470 -4.762 64 HG22 VAL 9 HG22 VAL 9 -1.149 4.775 -5.116 65 HG23 VAL 9 HG23 VAL 9 0.584 5.097 -5.074 66 H TYR 10 H TYR 10 -2.206 7.365 -2.074 67 HA TYR 10 HA TYR 10 -1.334 8.135 0.531 68 HB2 TYR 10 HB2 TYR 10 -3.061 9.416 -0.577 69 HB3 TYR 10 3HB TYR 10 -4.094 7.996 -0.698 70 HD1 TYR 10 HD1 TYR 10 -2.189 9.642 2.074 71 HD2 TYR 10 HD2 TYR 10 -5.917 8.121 0.699 72 HE1 TYR 10 HE1 TYR 10 -3.211 10.210 4.238 73 HE2 TYR 10 HE2 TYR 10 -6.951 8.687 2.858 74 HH TYR 10 HH TYR 10 -5.368 10.636 5.199 75 H THR 11 H THR 11 -0.531 6.043 1.247 76 HA THR 11 HA THR 11 -2.693 4.310 2.257 77 HB THR 11 HB THR 11 -0.780 2.546 2.344 78 HG1 THR 11 HG1 THR 11 0.733 4.329 1.586 79 HG21 THR 11 HG21 THR 11 -2.494 1.963 0.928 80 HG22 THR 11 HG22 THR 11 -1.185 2.172 -0.236 81 HG23 THR 11 HG23 THR 11 -2.374 3.455 -0.005 82 H ASP 12 H ASP 12 -1.692 2.873 4.136 83 HA ASP 12 HA ASP 12 -0.979 2.797 6.295 84 HB2 ASP 12 HB2 ASP 12 0.896 5.084 5.899 85 HB3 ASP 12 3HB ASP 12 1.144 3.564 6.755 86 H GLY 13 H GLY 13 -2.913 3.519 7.187 87 HA2 GLY 13 HA1 GLY 13 -3.383 6.362 7.510 88 HA3 GLY 13 HA2 GLY 13 -4.428 5.061 8.060 89 H SER 14 H SER 14 -4.149 4.190 10.103 90 HA SER 14 HA SER 14 -1.970 4.683 11.800 91 HB2 SER 14 HB2 SER 14 -3.377 6.249 13.380 92 HB3 SER 14 3HB SER 14 -2.446 6.937 12.049 93 HG SER 14 HG SER 14 -4.300 7.147 10.865 94 H TYR 15 H TYR 15 -5.428 4.983 12.556 95 HA TYR 15 HA TYR 15 -5.933 2.308 13.161 96 HB2 TYR 15 HB2 TYR 15 -5.928 2.550 15.711 97 HB3 TYR 15 3HB TYR 15 -4.369 2.333 14.924 98 HD1 TYR 15 HD1 TYR 15 -6.639 4.997 16.206 99 HD2 TYR 15 HD2 TYR 15 -2.637 3.817 15.373 100 HE1 TYR 15 HE1 TYR 15 -5.816 7.049 17.283 101 HE2 TYR 15 HE2 TYR 15 -1.803 5.865 16.450 102 HH TYR 15 HH TYR 15 -3.230 7.586 18.483 103 H VAL 16 H VAL 16 -7.869 2.108 14.722 104 HA VAL 16 HA VAL 16 -9.542 4.509 14.716 105 HB VAL 16 HB VAL 16 -10.181 3.448 12.659 106 HG11 VAL 16 HG11 VAL 16 -9.271 1.182 13.385 107 HG12 VAL 16 HG12 VAL 16 -10.843 0.922 14.145 108 HG13 VAL 16 HG13 VAL 16 -10.736 1.180 12.403 109 HG21 VAL 16 HG21 VAL 16 -12.241 2.735 14.742 110 HG22 VAL 16 HG22 VAL 16 -11.965 4.366 14.131 111 HG23 VAL 16 HG23 VAL 16 -12.528 3.100 13.041 112 H ASN 17 H ASN 17 -10.016 4.746 16.802 113 HA ASN 17 HA ASN 17 -10.909 4.336 18.858 114 HB2 ASN 17 HB2 ASN 17 -12.607 3.036 17.428 115 HB3 ASN 17 3HB ASN 17 -11.728 1.592 17.923 116 HD21 ASN 17 HD21 ASN 17 -14.448 2.981 18.511 117 HD22 ASN 17 HD22 ASN 17 -14.603 2.791 20.222 118 H GLY 18 H GLY 18 -9.919 1.054 17.879 119 HA2 GLY 18 HA1 GLY 18 -7.582 1.163 19.584 120 HA3 GLY 18 HA2 GLY 18 -8.866 0.124 20.183 121 H GLN 19 H GLN 19 -8.542 0.424 16.770 122 HA GLN 19 HA GLN 19 -7.124 -2.153 16.657 123 HB2 GLN 19 HB2 GLN 19 -9.797 -1.525 15.773 124 HB3 GLN 19 HB3 GLN 19 -8.804 -2.020 14.409 125 HG2 GLN 19 HG2 GLN 19 -8.138 -3.917 16.204 126 HG3 GLN 19 HG3 GLN 19 -9.797 -3.576 16.695 127 HE21 GLN 19 HE21 GLN 19 -10.948 -2.993 14.269 128 HE22 GLN 19 HE22 GLN 19 -10.953 -4.410 13.281 129 H TYR 20 H TYR 20 -6.718 -2.533 14.079 130 HA TYR 20 HA TYR 20 -5.237 -0.135 13.225 131 HB2 TYR 20 HB2 TYR 20 -3.637 -1.574 12.176 132 HB3 TYR 20 3HB TYR 20 -3.899 -2.186 13.805 133 HD1 TYR 20 HD1 TYR 20 -5.180 -4.263 14.158 134 HD2 TYR 20 HD2 TYR 20 -4.251 -2.862 10.249 135 HE1 TYR 20 HE1 TYR 20 -5.711 -6.484 13.241 136 HE2 TYR 20 HE2 TYR 20 -4.781 -5.078 9.322 137 HH TYR 20 HH TYR 20 -5.119 -7.272 9.874 138 H ALA 21 H ALA 21 -5.598 0.724 11.261 139 HA ALA 21 HA ALA 21 -7.439 -0.714 9.461 140 HB1 ALA 21 HB1 ALA 21 -7.303 2.241 10.039 141 HB2 ALA 21 HB2 ALA 21 -8.270 1.521 8.752 142 HB3 ALA 21 HB3 ALA 21 -8.618 1.134 10.436 143 H TRP 22 H TRP 22 -7.329 0.257 7.167 144 HA TRP 22 HA TRP 22 -4.745 1.282 6.384 145 HB2 TRP 22 HB2 TRP 22 -4.423 -0.659 4.750 146 HB3 TRP 22 3HB TRP 22 -4.068 -0.979 6.445 147 HD1 TRP 22 HD1 TRP 22 -5.649 -2.683 7.735 148 HE1 TRP 22 HE1 TRP 22 -7.376 -4.408 6.917 149 HE3 TRP 22 HE3 TRP 22 -6.198 -1.062 2.917 150 HZ2 TRP 22 HZ2 TRP 22 -8.784 -5.003 4.544 151 HZ3 TRP 22 HZ3 TRP 22 -7.754 -2.264 1.438 152 HH2 TRP 22 HH2 TRP 22 -9.019 -4.194 2.236 153 H ALA 23 H ALA 23 -4.950 2.545 4.642 154 HA ALA 23 HA ALA 23 -7.272 2.137 2.879 155 HB1 ALA 23 HB1 ALA 23 -7.369 4.089 4.624 156 HB2 ALA 23 HB2 ALA 23 -6.333 4.906 3.452 157 HB3 ALA 23 HB3 ALA 23 -7.929 4.333 2.969 158 H TYR 24 H TYR 24 -6.983 3.649 0.861 159 HA TYR 24 HA TYR 24 -4.259 4.049 0.018 160 HB2 TYR 24 HB2 TYR 24 -4.764 2.533 -2.066 161 HB3 TYR 24 3HB TYR 24 -4.144 1.820 -0.582 162 HD1 TYR 24 HD1 TYR 24 -7.591 2.897 -1.530 163 HD2 TYR 24 HD2 TYR 24 -5.030 -0.315 -0.421 164 HE1 TYR 24 HE1 TYR 24 -9.530 1.385 -1.454 165 HE2 TYR 24 HE2 TYR 24 -6.961 -1.836 -0.342 166 HH TYR 24 HH TYR 24 -10.068 -0.854 -0.189 167 H ALA 25 H ALA 25 -4.233 4.717 -2.376 168 HA ALA 25 HA ALA 25 -6.641 6.333 -2.915 169 HB1 ALA 25 HB1 ALA 25 -4.925 7.775 -4.225 170 HB2 ALA 25 HB2 ALA 25 -5.015 7.913 -2.468 171 HB3 ALA 25 HB3 ALA 25 -3.734 6.957 -3.214 172 H PHE 26 H PHE 26 -7.684 5.954 -4.757 173 HA PHE 26 HA PHE 26 -6.332 4.333 -6.809 174 HB2 PHE 26 HB2 PHE 26 -9.172 4.469 -5.870 175 HB3 PHE 26 3HB PHE 26 -8.835 3.967 -7.524 176 HD1 PHE 26 HD1 PHE 26 -7.046 3.269 -4.332 177 HD2 PHE 26 HD2 PHE 26 -9.204 1.698 -7.647 178 HE1 PHE 26 HE1 PHE 26 -6.592 0.984 -3.540 179 HE2 PHE 26 HE2 PHE 26 -8.754 -0.590 -6.860 180 HZ PHE 26 HZ PHE 26 -7.447 -0.949 -4.804 181 H VAL 27 H VAL 27 -6.304 4.987 -8.915 182 HA VAL 27 HA VAL 27 -7.773 7.394 -9.679 183 HB VAL 27 HB VAL 27 -4.785 7.154 -9.638 184 HG11 VAL 27 HG11 VAL 27 -6.460 8.484 -11.693 185 HG12 VAL 27 HG12 VAL 27 -5.034 9.347 -11.114 186 HG13 VAL 27 HG13 VAL 27 -4.866 7.746 -11.836 187 HG21 VAL 27 HG21 VAL 27 -4.843 9.250 -8.584 188 HG22 VAL 27 HG22 VAL 27 -6.496 9.566 -9.108 189 HG23 VAL 27 HG23 VAL 27 -6.182 8.352 -7.868 190 H LYS 28 H LYS 28 -8.531 7.287 -11.703 191 HA LYS 28 HA LYS 28 -7.344 5.311 -13.535 192 HB2 LYS 28 HB2 LYS 28 -10.214 5.734 -12.788 193 HB3 LYS 28 HB3 LYS 28 -9.814 5.142 -14.396 194 HG2 LYS 28 HG2 LYS 28 -8.393 3.675 -12.355 195 HG3 LYS 28 HG3 LYS 28 -10.138 3.634 -12.089 196 HD2 LYS 28 HD2 LYS 28 -8.778 2.960 -14.698 197 HD3 LYS 28 HD3 LYS 28 -9.315 1.773 -13.507 198 HE2 LYS 28 HE2 LYS 28 -11.497 3.491 -13.997 199 HE3 LYS 28 HE3 LYS 28 -10.815 3.072 -15.569 200 HZ1 LYS 28 HZ1 LYS 28 -11.987 1.207 -15.379 201 HZ2 LYS 28 HZ2 LYS 28 -12.289 1.442 -13.732 202 HZ3 LYS 28 HZ3 LYS 28 -10.849 0.708 -14.230 203 H ASP 29 H ASP 29 -6.924 6.019 -15.541 204 HA ASP 29 HA ASP 29 -6.803 7.365 -17.374 205 HB2 ASP 29 HB2 ASP 29 -9.423 7.314 -16.881 206 HB3 ASP 29 3HB ASP 29 -9.136 9.019 -16.543 207 H GLY 30 H GLY 30 -6.028 8.195 -14.448 208 HA2 GLY 30 HA1 GLY 30 -4.457 9.845 -13.867 209 HA3 GLY 30 HA2 GLY 30 -4.947 10.775 -15.275 210 H LYS 31 H LYS 31 -7.335 9.494 -13.102 211 HA LYS 31 HA LYS 31 -7.559 11.990 -11.630 212 HB2 LYS 31 HB2 LYS 31 -10.045 12.083 -12.224 213 HB3 LYS 31 HB3 LYS 31 -8.907 12.627 -13.449 214 HG2 LYS 31 HG2 LYS 31 -9.071 10.347 -14.479 215 HG3 LYS 31 HG3 LYS 31 -10.389 10.013 -13.353 216 HD2 LYS 31 HD2 LYS 31 -11.550 10.746 -15.202 217 HD3 LYS 31 HD3 LYS 31 -11.367 12.249 -14.294 218 HE2 LYS 31 HE2 LYS 31 -9.318 12.717 -15.655 219 HE3 LYS 31 HE3 LYS 31 -9.723 11.313 -16.641 220 HZ1 LYS 31 HZ1 LYS 31 -11.417 12.388 -17.638 221 HZ2 LYS 31 HZ2 LYS 31 -10.529 13.765 -17.220 222 HZ3 LYS 31 HZ3 LYS 31 -11.835 13.278 -16.261 223 H VAL 32 H VAL 32 -9.218 11.863 -9.913 224 HA VAL 32 HA VAL 32 -8.969 9.511 -8.412 225 HB VAL 32 HB VAL 32 -11.119 11.606 -8.087 226 HG11 VAL 32 HG11 VAL 32 -11.159 10.926 -5.775 227 HG12 VAL 32 HG12 VAL 32 -11.411 9.511 -6.798 228 HG13 VAL 32 HG13 VAL 32 -9.838 9.790 -6.049 229 HG21 VAL 32 HG21 VAL 32 -8.221 11.600 -7.360 230 HG22 VAL 32 HG22 VAL 32 -9.203 12.897 -8.040 231 HG23 VAL 32 HG23 VAL 32 -9.381 12.455 -6.342 232 H HIS 33 H HIS 33 -9.934 7.612 -8.631 233 HA HIS 33 HA HIS 33 -12.488 7.483 -10.085 234 HB2 HIS 33 HB2 HIS 33 -10.354 6.210 -10.865 235 HB3 HIS 33 3HB HIS 33 -10.744 5.097 -9.558 236 HD1 HIS 33 HD1 HIS 33 -11.992 3.149 -10.392 237 HD2 HIS 33 HD2 HIS 33 -12.927 6.591 -12.521 238 HE1 HIS 33 HE1 HIS 33 -13.683 2.436 -12.112 239 H TYR 34 H TYR 34 -10.762 6.056 -7.324 240 HA TYR 34 HA TYR 34 -13.370 5.651 -6.022 241 HB2 TYR 34 HB2 TYR 34 -11.027 3.738 -5.991 242 HB3 TYR 34 3HB TYR 34 -12.485 3.561 -5.021 243 HD1 TYR 34 HD1 TYR 34 -14.487 4.423 -7.121 244 HD2 TYR 34 HD2 TYR 34 -11.160 1.778 -7.303 245 HE1 TYR 34 HE1 TYR 34 -15.568 3.200 -8.963 246 HE2 TYR 34 HE2 TYR 34 -12.229 0.548 -9.145 247 HH TYR 34 HH TYR 34 -13.896 0.831 -10.824 248 H GLU 35 H GLU 35 -12.894 5.055 -3.579 249 HA GLU 35 HA GLU 35 -10.634 6.063 -2.283 250 HB2 GLU 35 HB2 GLU 35 -12.342 8.110 -3.258 251 HB3 GLU 35 HB3 GLU 35 -12.522 8.068 -1.510 252 HG2 GLU 35 HG2 GLU 35 -9.810 7.903 -1.818 253 HG3 GLU 35 HG3 GLU 35 -10.282 8.963 -3.146 254 H ASP 36 H ASP 36 -10.720 4.736 -0.601 255 HA ASP 36 HA ASP 36 -12.695 4.975 1.406 256 HB2 ASP 36 HB2 ASP 36 -13.347 3.174 -0.703 257 HB3 ASP 36 3HB ASP 36 -12.986 2.217 0.731 258 H ALA 37 H ALA 37 -12.492 2.810 2.883 259 HA ALA 37 HA ALA 37 -9.804 1.750 2.912 260 HB1 ALA 37 HB1 ALA 37 -10.643 3.288 5.346 261 HB2 ALA 37 HB2 ALA 37 -9.039 2.704 4.901 262 HB3 ALA 37 HB3 ALA 37 -9.758 4.058 4.029 263 H ASP 38 H ASP 38 -9.505 0.379 4.984 264 HA ASP 38 HA ASP 38 -11.958 -0.653 6.119 265 HB2 ASP 38 HB2 ASP 38 -10.185 -2.476 4.480 266 HB3 ASP 38 3HB ASP 38 -11.636 -2.943 5.364 267 H VAL 39 H VAL 39 -11.460 -2.496 7.664 268 HA VAL 39 HA VAL 39 -8.828 -2.041 8.912 269 HB VAL 39 HB VAL 39 -9.919 -2.586 11.084 270 HG11 VAL 39 HG11 VAL 39 -9.788 -0.358 11.162 271 HG12 VAL 39 HG12 VAL 39 -10.303 -0.187 9.483 272 HG13 VAL 39 HG13 VAL 39 -11.505 -0.358 10.763 273 HG21 VAL 39 HG21 VAL 39 -12.028 -3.287 11.232 274 HG22 VAL 39 HG22 VAL 39 -12.613 -1.957 10.232 275 HG23 VAL 39 HG23 VAL 39 -12.018 -3.436 9.476 276 H GLY 40 H GLY 40 -7.924 -3.836 10.107 277 HA2 GLY 40 HA1 GLY 40 -8.781 -6.428 8.980 278 HA3 GLY 40 HA2 GLY 40 -7.122 -6.028 9.399 279 H LYS 41 H LYS 41 -8.751 -8.284 10.279 280 HA LYS 41 HA LYS 41 -8.530 -7.824 13.174 281 HB2 LYS 41 HB2 LYS 41 -10.527 -9.208 13.546 282 HB3 LYS 41 HB3 LYS 41 -10.902 -7.763 12.616 283 HG2 LYS 41 HG2 LYS 41 -10.260 -10.197 11.072 284 HG3 LYS 41 HG3 LYS 41 -11.786 -10.192 11.959 285 HD2 LYS 41 HD2 LYS 41 -11.471 -7.678 10.643 286 HD3 LYS 41 HD3 LYS 41 -11.196 -8.972 9.475 287 HE2 LYS 41 HE2 LYS 41 -13.516 -9.249 11.301 288 HE3 LYS 41 HE3 LYS 41 -13.626 -8.030 10.033 289 HZ1 LYS 41 HZ1 LYS 41 -14.253 -10.613 9.708 290 HZ2 LYS 41 HZ2 LYS 41 -12.654 -10.607 9.155 291 HZ3 LYS 41 HZ3 LYS 41 -13.798 -9.582 8.447 292 H ASN 42 H ASN 42 -6.474 -8.890 11.764 293 HA ASN 42 HA ASN 42 -6.675 -11.796 11.967 294 HB2 ASN 42 HB2 ASN 42 -4.620 -9.940 10.777 295 HB3 ASN 42 3HB ASN 42 -4.300 -11.658 11.002 296 HD21 ASN 42 HD21 ASN 42 -6.220 -13.053 10.178 297 HD22 ASN 42 HD22 ASN 42 -6.775 -12.652 8.592 298 HA PRO 43 HA PRO 43 -4.535 -12.145 15.783 299 HB2 PRO 43 HB2 PRO 43 -3.077 -14.400 15.388 300 HB3 PRO 43 HB3 PRO 43 -4.829 -14.417 15.613 301 HG2 PRO 43 HG2 PRO 43 -3.243 -14.564 13.078 302 HG3 PRO 43 HG3 PRO 43 -4.674 -15.496 13.559 303 HD2 PRO 43 HD2 PRO 43 -4.812 -13.374 11.883 304 HD3 PRO 43 HD3 PRO 43 -6.125 -13.794 13.003 305 H ALA 44 H ALA 44 -2.452 -12.648 12.940 306 HA ALA 44 HA ALA 44 -0.056 -11.933 14.339 307 HB1 ALA 44 HB1 ALA 44 0.060 -13.468 12.480 308 HB2 ALA 44 HB2 ALA 44 -0.602 -12.249 11.391 309 HB3 ALA 44 HB3 ALA 44 0.993 -12.019 12.107 310 H ALA 45 H ALA 45 -2.414 -10.254 12.378 311 HA ALA 45 HA ALA 45 -0.827 -7.892 12.014 312 HB1 ALA 45 HB1 ALA 45 -2.571 -8.522 10.416 313 HB2 ALA 45 HB2 ALA 45 -3.797 -8.287 11.661 314 HB3 ALA 45 HB3 ALA 45 -2.852 -6.914 11.084 315 H ALA 46 H ALA 46 -3.681 -8.672 14.002 316 HA ALA 46 HA ALA 46 -3.973 -6.265 15.321 317 HB1 ALA 46 HB1 ALA 46 -4.395 -8.988 16.542 318 HB2 ALA 46 HB2 ALA 46 -5.150 -7.473 17.040 319 HB3 ALA 46 HB3 ALA 46 -5.538 -8.177 15.470 320 H THR 47 H THR 47 -1.788 -8.938 16.060 321 HA THR 47 HA THR 47 -0.852 -8.092 18.540 322 HB THR 47 HB THR 47 1.390 -9.207 17.458 323 HG1 THR 47 HG1 THR 47 0.889 -10.105 15.618 324 HG21 THR 47 HG21 THR 47 0.898 -10.941 18.829 325 HG22 THR 47 HG22 THR 47 -0.725 -11.139 18.170 326 HG23 THR 47 HG23 THR 47 -0.404 -9.876 19.357 327 H MET 48 H MET 48 0.233 -7.215 15.286 328 HA MET 48 HA MET 48 1.875 -5.087 16.496 329 HB2 MET 48 HB2 MET 48 2.362 -6.865 14.141 330 HB3 MET 48 HB3 MET 48 3.043 -5.244 14.140 331 HG2 MET 48 HG2 MET 48 3.479 -6.869 16.568 332 HG3 MET 48 HG3 MET 48 4.325 -7.371 15.106 333 HE1 MET 48 HE1 MET 48 5.877 -5.849 13.722 334 HE2 MET 48 HE2 MET 48 4.817 -4.441 13.677 335 HE3 MET 48 HE3 MET 48 6.483 -4.272 14.230 336 H ARG 49 H ARG 49 -0.540 -4.249 16.332 337 HA ARG 49 HA ARG 49 -1.688 -3.456 13.951 338 HB2 ARG 49 HB2 ARG 49 -2.621 -1.514 15.334 339 HB3 ARG 49 HB3 ARG 49 -2.972 -3.143 15.894 340 HG2 ARG 49 HG2 ARG 49 -1.904 -2.825 17.822 341 HG3 ARG 49 HG3 ARG 49 -0.527 -2.055 17.033 342 HD2 ARG 49 HD2 ARG 49 -2.003 -0.003 16.791 343 HD3 ARG 49 HD3 ARG 49 -3.120 -0.801 17.899 344 HE ARG 49 HE ARG 49 -0.550 -0.784 19.034 345 HH11 ARG 49 HH11 ARG 49 -3.145 1.391 18.225 346 HH12 ARG 49 HH12 ARG 49 -2.762 2.522 19.481 347 HH21 ARG 49 HH21 ARG 49 -0.036 0.697 20.691 348 HH22 ARG 49 HH22 ARG 49 -0.994 2.127 20.882 349 H ASN 50 H ASN 50 -1.815 -1.276 12.998 350 HA ASN 50 HA ASN 50 -0.913 0.614 12.092 351 HB2 ASN 50 HB2 ASN 50 -0.220 0.981 14.571 352 HB3 ASN 50 3HB ASN 50 1.384 0.498 14.025 353 HD21 ASN 50 HD21 ASN 50 2.028 2.635 14.668 354 HD22 ASN 50 HD22 ASN 50 1.771 3.966 13.597 355 H VAL 51 H VAL 51 1.969 -1.159 13.218 356 HA VAL 51 HA VAL 51 3.538 -0.757 10.982 357 HB VAL 51 HB VAL 51 3.524 -3.189 12.775 358 HG11 VAL 51 HG11 VAL 51 5.059 -4.013 11.396 359 HG12 VAL 51 HG12 VAL 51 5.081 -2.529 10.440 360 HG13 VAL 51 HG13 VAL 51 6.110 -2.678 11.866 361 HG21 VAL 51 HG21 VAL 51 5.612 -1.173 13.126 362 HG22 VAL 51 HG22 VAL 51 3.989 -0.586 13.487 363 HG23 VAL 51 HG23 VAL 51 4.620 -2.002 14.328 364 H ALA 52 H ALA 52 1.322 -3.454 11.644 365 HA ALA 52 HA ALA 52 1.827 -4.730 9.128 366 HB1 ALA 52 HB1 ALA 52 1.097 -5.905 11.224 367 HB2 ALA 52 HB2 ALA 52 -0.508 -5.217 10.966 368 HB3 ALA 52 HB3 ALA 52 0.183 -6.319 9.774 369 H GLY 53 H GLY 53 -0.398 -2.331 10.305 370 HA2 GLY 53 HA1 GLY 53 -2.390 -2.586 8.311 371 HA3 GLY 53 HA2 GLY 53 -2.088 -1.155 9.287 372 H GLU 54 H GLU 54 0.356 -0.326 8.562 373 HA GLU 54 HA GLU 54 -0.057 1.044 6.186 374 HB2 GLU 54 HB2 GLU 54 2.423 1.478 6.251 375 HB3 GLU 54 HB3 GLU 54 1.556 1.876 7.728 376 HG2 GLU 54 HG2 GLU 54 2.292 -0.245 8.716 377 HG3 GLU 54 HG3 GLU 54 3.196 -0.601 7.245 378 H ILE 55 H ILE 55 1.730 -1.960 6.757 379 HA ILE 55 HA ILE 55 2.574 -2.238 4.040 380 HB ILE 55 HB ILE 55 2.487 -4.219 6.315 381 HG12 ILE 55 HG12 ILE 55 5.044 -3.352 5.133 382 HG13 ILE 55 HG13 ILE 55 4.143 -2.081 5.952 383 HG21 ILE 55 HG21 ILE 55 4.159 -5.432 4.725 384 HG22 ILE 55 HG22 ILE 55 2.423 -5.644 4.506 385 HG23 ILE 55 HG23 ILE 55 3.313 -4.535 3.465 386 HD11 ILE 55 HD11 ILE 55 4.173 -4.446 7.564 387 HD12 ILE 55 HD12 ILE 55 5.815 -4.004 7.094 388 HD13 ILE 55 HD13 ILE 55 4.791 -2.834 7.924 389 H ALA 56 H ALA 56 -0.181 -3.312 5.914 390 HA ALA 56 HA ALA 56 -1.158 -5.307 4.216 391 HB1 ALA 56 HB1 ALA 56 -2.140 -3.774 6.465 392 HB2 ALA 56 HB2 ALA 56 -3.412 -4.094 5.286 393 HB3 ALA 56 HB3 ALA 56 -2.501 -5.433 5.985 394 H ALA 57 H ALA 57 -1.749 -1.809 4.234 395 HA ALA 57 HA ALA 57 -3.691 -1.643 2.273 396 HB1 ALA 57 HB1 ALA 57 -2.565 0.190 3.752 397 HB2 ALA 57 HB2 ALA 57 -1.513 0.395 2.351 398 HB3 ALA 57 HB3 ALA 57 -3.254 0.615 2.185 399 H ALA 58 H ALA 58 -0.159 -1.652 1.869 400 HA ALA 58 HA ALA 58 -0.006 -1.277 -0.865 401 HB1 ALA 58 HB1 ALA 58 2.135 -1.392 -0.292 402 HB2 ALA 58 HB2 ALA 58 1.739 -2.214 1.216 403 HB3 ALA 58 HB3 ALA 58 1.986 -3.149 -0.258 404 H LEU 59 H LEU 59 -0.585 -4.265 0.935 405 HA LEU 59 HA LEU 59 -0.410 -6.086 -1.163 406 HB2 LEU 59 HB2 LEU 59 -2.414 -6.314 1.060 407 HB3 LEU 59 3HB LEU 59 -1.577 -7.609 0.205 408 HG LEU 59 HG LEU 59 -0.567 -5.822 2.386 409 HD11 LEU 59 HD11 LEU 59 0.360 -8.191 3.003 410 HD12 LEU 59 HD12 LEU 59 -0.908 -8.743 1.909 411 HD13 LEU 59 HD13 LEU 59 -1.323 -7.774 3.322 412 HD21 LEU 59 HD21 LEU 59 0.952 -6.902 0.109 413 HD22 LEU 59 HD22 LEU 59 1.639 -7.220 1.703 414 HD23 LEU 59 HD23 LEU 59 1.324 -5.561 1.193 415 H TYR 60 H TYR 60 -3.467 -4.885 0.230 416 HA TYR 60 HA TYR 60 -5.104 -5.753 -1.850 417 HB2 TYR 60 HB2 TYR 60 -5.628 -3.306 -0.162 418 HB3 TYR 60 3HB TYR 60 -6.815 -4.366 -0.916 419 HD1 TYR 60 HD1 TYR 60 -7.186 -6.646 -0.007 420 HD2 TYR 60 HD2 TYR 60 -4.666 -3.834 1.955 421 HE1 TYR 60 HE1 TYR 60 -7.305 -7.985 2.053 422 HE2 TYR 60 HE2 TYR 60 -4.777 -5.166 4.019 423 HH TYR 60 HH TYR 60 -6.711 -6.980 4.935 424 H ALA 61 H ALA 61 -3.298 -2.764 -1.458 425 HA ALA 61 HA ALA 61 -4.443 -1.259 -3.513 426 HB1 ALA 61 HB1 ALA 61 -2.352 0.021 -3.512 427 HB2 ALA 61 HB2 ALA 61 -2.929 -0.293 -1.875 428 HB3 ALA 61 HB3 ALA 61 -1.590 -1.233 -2.533 429 H VAL 62 H VAL 62 -1.892 -3.696 -3.591 430 HA VAL 62 HA VAL 62 -1.273 -3.288 -6.361 431 HB VAL 62 HB VAL 62 -0.590 -5.572 -4.506 432 HG11 VAL 62 HG11 VAL 62 -0.563 -6.342 -6.802 433 HG12 VAL 62 HG12 VAL 62 0.426 -4.961 -7.280 434 HG13 VAL 62 HG13 VAL 62 1.087 -6.189 -6.199 435 HG21 VAL 62 HG21 VAL 62 0.314 -3.063 -4.312 436 HG22 VAL 62 HG22 VAL 62 1.310 -4.470 -3.941 437 HG23 VAL 62 HG23 VAL 62 1.450 -3.680 -5.512 438 H LYS 63 H LYS 63 -3.119 -5.704 -4.531 439 HA LYS 63 HA LYS 63 -3.778 -7.449 -6.563 440 HB2 LYS 63 HB2 LYS 63 -5.494 -6.561 -4.237 441 HB3 LYS 63 HB3 LYS 63 -5.811 -7.976 -5.234 442 HG2 LYS 63 HG2 LYS 63 -3.719 -8.979 -4.509 443 HG3 LYS 63 HG3 LYS 63 -3.354 -7.547 -3.543 444 HD2 LYS 63 HD2 LYS 63 -4.527 -8.369 -1.844 445 HD3 LYS 63 HD3 LYS 63 -5.965 -8.475 -2.862 446 HE2 LYS 63 HE2 LYS 63 -5.151 -10.661 -3.699 447 HE3 LYS 63 HE3 LYS 63 -3.803 -10.557 -2.568 448 HZ1 LYS 63 HZ1 LYS 63 -6.650 -11.019 -2.030 449 HZ2 LYS 63 HZ2 LYS 63 -5.724 -10.230 -0.854 450 HZ3 LYS 63 HZ3 LYS 63 -5.292 -11.782 -1.369 451 H LYS 64 H LYS 64 -5.452 -4.467 -5.610 452 HA LYS 64 HA LYS 64 -7.431 -4.704 -7.671 453 HB2 LYS 64 HB2 LYS 64 -6.726 -2.191 -6.163 454 HB3 LYS 64 HB3 LYS 64 -8.265 -2.615 -6.900 455 HG2 LYS 64 HG2 LYS 64 -7.733 -4.647 -5.056 456 HG3 LYS 64 HG3 LYS 64 -7.303 -3.138 -4.246 457 HD2 LYS 64 HD2 LYS 64 -9.454 -2.303 -4.376 458 HD3 LYS 64 HD3 LYS 64 -9.876 -3.320 -5.757 459 HE2 LYS 64 HE2 LYS 64 -9.793 -5.295 -4.254 460 HE3 LYS 64 HE3 LYS 64 -9.517 -4.205 -2.896 461 HZ1 LYS 64 HZ1 LYS 64 -11.952 -4.669 -4.441 462 HZ2 LYS 64 HZ2 LYS 64 -11.686 -3.102 -3.864 463 HZ3 LYS 64 HZ3 LYS 64 -11.760 -4.400 -2.783 464 H ALA 65 H ALA 65 -4.322 -3.148 -7.332 465 HA ALA 65 HA ALA 65 -4.369 -1.273 -9.349 466 HB1 ALA 65 HB1 ALA 65 -2.062 -3.087 -8.655 467 HB2 ALA 65 HB2 ALA 65 -1.958 -1.540 -9.495 468 HB3 ALA 65 HB3 ALA 65 -2.483 -1.596 -7.813 469 H SER 66 H SER 66 -4.173 -4.755 -9.600 470 HA SER 66 HA SER 66 -3.458 -4.781 -12.376 471 HB2 SER 66 HB2 SER 66 -2.809 -6.723 -11.227 472 HB3 SER 66 3HB SER 66 -4.367 -6.874 -10.414 473 HG SER 66 HG SER 66 -4.503 -8.347 -11.989 474 H GLN 67 H GLN 67 -6.438 -4.875 -10.534 475 HA GLN 67 HA GLN 67 -8.166 -5.680 -12.608 476 HB2 GLN 67 HB2 GLN 67 -8.651 -4.053 -10.113 477 HB3 GLN 67 HB3 GLN 67 -9.940 -4.560 -11.196 478 HG2 GLN 67 HG2 GLN 67 -8.818 -6.932 -10.789 479 HG3 GLN 67 HG3 GLN 67 -8.326 -6.144 -9.290 480 HE21 GLN 67 HE21 GLN 67 -10.128 -4.986 -8.135 481 HE22 GLN 67 HE22 GLN 67 -11.655 -5.791 -8.069 482 H LEU 68 H LEU 68 -7.039 -2.500 -11.562 483 HA LEU 68 HA LEU 68 -8.645 -1.133 -13.541 484 HB2 LEU 68 HB2 LEU 68 -6.424 0.023 -11.875 485 HB3 LEU 68 3HB LEU 68 -7.748 0.884 -12.658 486 HG LEU 68 HG LEU 68 -8.972 -0.913 -10.898 487 HD11 LEU 68 HD11 LEU 68 -7.074 0.620 -9.221 488 HD12 LEU 68 HD12 LEU 68 -6.477 -0.855 -9.981 489 HD13 LEU 68 HD13 LEU 68 -7.879 -0.919 -8.913 490 HD21 LEU 68 HD21 LEU 68 -8.403 2.026 -10.529 491 HD22 LEU 68 HD22 LEU 68 -9.697 1.100 -9.767 492 HD23 LEU 68 HD23 LEU 68 -9.706 1.358 -11.512 493 H GLY 69 H GLY 69 -5.993 -2.970 -13.813 494 HA2 GLY 69 HA1 GLY 69 -4.319 -3.167 -15.371 495 HA3 GLY 69 HA2 GLY 69 -5.330 -2.157 -16.394 496 H VAL 70 H VAL 70 -4.302 -0.867 -13.367 497 HA VAL 70 HA VAL 70 -2.400 0.874 -14.794 498 HB VAL 70 HB VAL 70 -2.874 2.623 -13.251 499 HG11 VAL 70 HG11 VAL 70 -4.659 1.805 -15.049 500 HG12 VAL 70 HG12 VAL 70 -5.645 1.627 -13.595 501 HG13 VAL 70 HG13 VAL 70 -4.942 3.193 -14.001 502 HG21 VAL 70 HG21 VAL 70 -4.146 0.448 -11.659 503 HG22 VAL 70 HG22 VAL 70 -3.050 1.729 -11.142 504 HG23 VAL 70 HG23 VAL 70 -4.740 2.100 -11.481 505 H LYS 71 H LYS 71 -0.896 1.965 -12.983 506 HA LYS 71 HA LYS 71 0.171 -0.189 -11.286 507 HB2 LYS 71 HB2 LYS 71 1.716 1.647 -13.119 508 HB3 LYS 71 HB3 LYS 71 2.469 0.682 -11.856 509 HG2 LYS 71 HG2 LYS 71 2.761 -0.615 -13.744 510 HG3 LYS 71 HG3 LYS 71 1.317 -1.316 -13.010 511 HD2 LYS 71 HD2 LYS 71 -0.050 -0.577 -14.668 512 HD3 LYS 71 HD3 LYS 71 0.900 0.884 -14.948 513 HE2 LYS 71 HE2 LYS 71 2.504 -1.352 -15.639 514 HE3 LYS 71 HE3 LYS 71 0.925 -1.567 -16.394 515 HZ1 LYS 71 HZ1 LYS 71 2.049 -0.328 -17.949 516 HZ2 LYS 71 HZ2 LYS 71 2.895 0.580 -16.799 517 HZ3 LYS 71 HZ3 LYS 71 1.256 0.889 -17.081 518 H ILE 72 H ILE 72 1.471 0.549 -9.483 519 HA ILE 72 HA ILE 72 0.526 3.138 -8.487 520 HB ILE 72 HB ILE 72 1.173 2.356 -6.269 521 HG12 ILE 72 HG12 ILE 72 2.151 -0.075 -7.770 522 HG13 ILE 72 HG13 ILE 72 3.094 1.005 -6.750 523 HG21 ILE 72 HG21 ILE 72 -0.273 -0.031 -7.111 524 HG22 ILE 72 HG22 ILE 72 -0.763 1.268 -6.024 525 HG23 ILE 72 HG23 ILE 72 -0.943 1.462 -7.768 526 HD11 ILE 72 HD11 ILE 72 1.075 -1.050 -5.932 527 HD12 ILE 72 HD12 ILE 72 2.771 -0.911 -5.464 528 HD13 ILE 72 HD13 ILE 72 1.588 0.242 -4.846 529 H ARG 73 H ARG 73 2.226 4.044 -6.774 530 HA ARG 73 HA ARG 73 4.676 4.493 -8.317 531 HB2 ARG 73 HB2 ARG 73 4.202 6.116 -5.904 532 HB3 ARG 73 HB3 ARG 73 4.701 6.611 -7.516 533 HG2 ARG 73 HG2 ARG 73 1.889 5.916 -6.690 534 HG3 ARG 73 HG3 ARG 73 2.532 7.546 -6.904 535 HD2 ARG 73 HD2 ARG 73 2.020 7.451 -9.060 536 HD3 ARG 73 HD3 ARG 73 3.126 6.091 -9.252 537 HE ARG 73 HE ARG 73 1.305 4.749 -9.482 538 HH11 ARG 73 HH11 ARG 73 0.356 7.582 -7.694 539 HH12 ARG 73 HH12 ARG 73 -1.313 7.129 -7.608 540 HH21 ARG 73 HH21 ARG 73 -0.891 4.141 -9.377 541 HH22 ARG 73 HH22 ARG 73 -2.022 5.171 -8.565 542 H ILE 74 H ILE 74 6.559 3.673 -7.687 543 HA ILE 74 HA ILE 74 6.971 3.017 -4.861 544 HB ILE 74 HB ILE 74 7.978 0.858 -5.425 545 HG12 ILE 74 HG12 ILE 74 7.106 0.124 -7.890 546 HG13 ILE 74 HG13 ILE 74 7.469 1.824 -8.172 547 HG21 ILE 74 HG21 ILE 74 5.307 0.677 -6.703 548 HG22 ILE 74 HG22 ILE 74 6.007 -0.280 -5.399 549 HG23 ILE 74 HG23 ILE 74 5.393 1.340 -5.070 550 HD11 ILE 74 HD11 ILE 74 9.736 1.353 -7.145 551 HD12 ILE 74 HD12 ILE 74 9.327 -0.357 -7.292 552 HD13 ILE 74 HD13 ILE 74 9.417 0.656 -8.733 553 H LEU 75 H LEU 75 8.328 3.558 -8.060 554 HA LEU 75 HA LEU 75 11.024 3.398 -7.592 555 HB2 LEU 75 HB2 LEU 75 9.298 4.770 -9.475 556 HB3 LEU 75 3HB LEU 75 10.773 5.679 -9.152 557 HG LEU 75 HG LEU 75 11.086 4.315 -11.108 558 HD11 LEU 75 HD11 LEU 75 12.914 4.567 -9.341 559 HD12 LEU 75 HD12 LEU 75 13.110 3.290 -10.542 560 HD13 LEU 75 HD13 LEU 75 12.559 2.892 -8.914 561 HD21 LEU 75 HD21 LEU 75 9.349 2.569 -10.013 562 HD22 LEU 75 HD22 LEU 75 10.872 1.742 -9.687 563 HD23 LEU 75 HD23 LEU 75 10.437 2.169 -11.342 564 H HIS 76 H HIS 76 9.443 6.582 -7.675 565 HA HIS 76 HA HIS 76 11.390 7.555 -5.735 566 HB2 HIS 76 HB2 HIS 76 9.281 9.137 -7.212 567 HB3 HIS 76 3HB HIS 76 10.691 9.770 -6.367 568 HD1 HIS 76 HD1 HIS 76 13.033 9.340 -7.519 569 HD2 HIS 76 HD2 HIS 76 9.714 8.373 -9.823 570 HE1 HIS 76 HE1 HIS 76 13.891 9.113 -9.872 571 H ASP 77 H ASP 77 9.630 5.791 -4.593 572 HA ASP 77 HA ASP 77 7.540 7.340 -3.282 573 HB2 ASP 77 HB2 ASP 77 7.578 4.763 -4.106 574 HB3 ASP 77 3HB ASP 77 8.060 4.556 -2.423 575 H TYR 78 H TYR 78 10.265 5.272 -2.268 576 HA TYR 78 HA TYR 78 11.575 5.285 -0.410 577 HB2 TYR 78 HB2 TYR 78 10.885 8.201 -0.666 578 HB3 TYR 78 3HB TYR 78 11.897 7.619 0.651 579 HD1 TYR 78 HD1 TYR 78 11.653 7.334 -3.071 580 HD2 TYR 78 HD2 TYR 78 14.181 7.652 0.337 581 HE1 TYR 78 HE1 TYR 78 13.619 7.433 -4.545 582 HE2 TYR 78 HE2 TYR 78 16.154 7.752 -1.127 583 HH TYR 78 HH TYR 78 16.479 8.540 -3.724 584 H ALA 79 H ALA 79 8.588 4.940 -0.218 585 HA ALA 79 HA ALA 79 7.748 6.003 2.282 586 HB1 ALA 79 HB1 ALA 79 6.697 3.805 0.526 587 HB2 ALA 79 HB2 ALA 79 5.953 4.211 2.073 588 HB3 ALA 79 HB3 ALA 79 6.033 5.418 0.788 589 H GLY 80 H GLY 80 6.919 4.364 4.015 590 HA2 GLY 80 HA1 GLY 80 9.118 3.288 5.328 591 HA3 GLY 80 HA2 GLY 80 7.446 2.868 5.673 592 H ILE 81 H ILE 81 7.174 1.893 2.825 593 HA ILE 81 HA ILE 81 7.804 -0.834 3.362 594 HB ILE 81 HB ILE 81 6.598 0.633 1.060 595 HG12 ILE 81 HG12 ILE 81 4.753 -0.895 1.461 596 HG13 ILE 81 HG13 ILE 81 5.725 -1.823 2.597 597 HG21 ILE 81 HG21 ILE 81 7.902 -0.749 -0.249 598 HG22 ILE 81 HG22 ILE 81 7.895 -2.054 0.937 599 HG23 ILE 81 HG23 ILE 81 6.452 -1.728 -0.023 600 HD11 ILE 81 HD11 ILE 81 5.327 1.060 3.151 601 HD12 ILE 81 HD12 ILE 81 3.964 -0.033 3.395 602 HD13 ILE 81 HD13 ILE 81 5.476 -0.301 4.262 603 H ALA 82 H ALA 82 9.102 1.581 1.104 604 HA ALA 82 HA ALA 82 11.067 -0.167 0.004 605 HB1 ALA 82 HB1 ALA 82 10.156 2.515 -0.435 606 HB2 ALA 82 HB2 ALA 82 11.918 2.480 -0.373 607 HB3 ALA 82 HB3 ALA 82 11.057 1.451 -1.515 608 H PHE 83 H PHE 83 10.925 1.890 2.790 609 HA PHE 83 HA PHE 83 13.627 2.374 3.256 610 HB2 PHE 83 HB2 PHE 83 11.852 3.443 4.556 611 HB3 PHE 83 3HB PHE 83 11.423 1.894 5.273 612 HD1 PHE 83 HD1 PHE 83 14.410 4.091 4.860 613 HD2 PHE 83 HD2 PHE 83 12.233 1.427 7.366 614 HE1 PHE 83 HE1 PHE 83 16.016 4.496 6.679 615 HE2 PHE 83 HE2 PHE 83 13.836 1.827 9.189 616 HZ PHE 83 HZ PHE 83 15.730 3.363 8.848 617 H TRP 84 H TRP 84 11.631 -0.263 4.593 618 HA TRP 84 HA TRP 84 13.973 -1.659 5.540 619 HB2 TRP 84 HB2 TRP 84 12.503 -2.597 6.938 620 HB3 TRP 84 3HB TRP 84 11.221 -1.671 6.163 621 HD1 TRP 84 HD1 TRP 84 12.872 -5.145 6.050 622 HE1 TRP 84 HE1 TRP 84 11.215 -6.793 4.971 623 HE3 TRP 84 HE3 TRP 84 9.231 -1.838 4.654 624 HZ2 TRP 84 HZ2 TRP 84 8.698 -6.703 3.697 625 HZ3 TRP 84 HZ3 TRP 84 7.231 -2.701 3.510 626 HH2 TRP 84 HH2 TRP 84 6.972 -5.083 3.042 627 H ALA 85 H ALA 85 12.142 -1.555 2.666 628 HA ALA 85 HA ALA 85 12.295 -4.141 1.686 629 HB1 ALA 85 HB1 ALA 85 12.504 -1.528 0.198 630 HB2 ALA 85 HB2 ALA 85 12.263 -3.100 -0.568 631 HB3 ALA 85 HB3 ALA 85 11.039 -2.456 0.526 632 H THR 86 H THR 86 14.810 -1.824 2.166 633 HA THR 86 HA THR 86 16.711 -2.796 0.327 634 HB THR 86 HB THR 86 18.377 -1.602 1.607 635 HG1 THR 86 HG1 THR 86 16.464 -1.036 3.615 636 HG21 THR 86 HG21 THR 86 17.596 0.456 1.099 637 HG22 THR 86 HG22 THR 86 16.127 0.247 2.052 638 HG23 THR 86 HG23 THR 86 16.232 -0.440 0.431 639 H GLY 87 H GLY 87 15.544 -4.064 3.295 640 HA2 GLY 87 HA1 GLY 87 15.994 -6.075 4.326 641 HA3 GLY 87 HA2 GLY 87 17.090 -6.447 3.003 642 H GLU 88 H GLU 88 16.785 -4.917 6.141 643 HA GLU 88 HA GLU 88 19.696 -4.609 6.300 644 HB2 GLU 88 HB2 GLU 88 17.502 -3.608 8.124 645 HB3 GLU 88 HB3 GLU 88 19.220 -3.329 8.374 646 HG2 GLU 88 HG2 GLU 88 19.338 -2.079 6.295 647 HG3 GLU 88 HG3 GLU 88 17.629 -2.390 5.997 648 H TRP 89 H TRP 89 16.994 -5.945 8.195 649 HA TRP 89 HA TRP 89 18.342 -8.328 8.838 650 HB2 TRP 89 HB2 TRP 89 19.106 -6.116 10.444 651 HB3 TRP 89 3HB TRP 89 18.107 -7.167 11.444 652 HD1 TRP 89 HD1 TRP 89 21.497 -6.990 9.744 653 HE1 TRP 89 HE1 TRP 89 22.926 -8.990 10.508 654 HE3 TRP 89 HE3 TRP 89 17.908 -9.648 12.232 655 HZ2 TRP 89 HZ2 TRP 89 22.577 -11.378 11.972 656 HZ3 TRP 89 HZ3 TRP 89 18.537 -11.781 13.285 657 HH2 TRP 89 HH2 TRP 89 20.824 -12.626 13.157 658 H LYS 90 H LYS 90 16.957 -9.815 9.695 659 HA LYS 90 HA LYS 90 14.188 -9.233 9.659 660 HB2 LYS 90 HB2 LYS 90 13.964 -11.566 10.587 661 HB3 LYS 90 HB3 LYS 90 14.869 -11.440 9.084 662 HG2 LYS 90 HG2 LYS 90 16.741 -11.195 11.170 663 HG3 LYS 90 HG3 LYS 90 15.678 -12.538 11.592 664 HD2 LYS 90 HD2 LYS 90 17.092 -13.714 10.282 665 HD3 LYS 90 HD3 LYS 90 16.095 -13.063 8.980 666 HE2 LYS 90 HE2 LYS 90 17.678 -11.502 8.370 667 HE3 LYS 90 HE3 LYS 90 18.429 -11.485 9.964 668 HZ1 LYS 90 HZ1 LYS 90 19.927 -12.605 8.589 669 HZ2 LYS 90 HZ2 LYS 90 18.718 -13.510 7.828 670 HZ3 LYS 90 HZ3 LYS 90 19.139 -13.843 9.432 671 H ALA 91 H ALA 91 13.810 -7.578 11.155 672 HA ALA 91 HA ALA 91 14.513 -7.873 13.924 673 HB1 ALA 91 HB1 ALA 91 13.417 -5.782 14.265 674 HB2 ALA 91 HB2 ALA 91 14.311 -5.676 12.748 675 HB3 ALA 91 HB3 ALA 91 12.563 -5.914 12.727 676 H LYS 92 H LYS 92 11.467 -7.980 12.085 677 HA LYS 92 HA LYS 92 10.017 -8.910 14.421 678 HB2 LYS 92 HB2 LYS 92 9.348 -7.633 11.944 679 HB3 LYS 92 HB3 LYS 92 8.416 -9.118 12.090 680 HG2 LYS 92 HG2 LYS 92 8.532 -7.353 14.465 681 HG3 LYS 92 HG3 LYS 92 7.585 -6.799 13.081 682 HD2 LYS 92 HD2 LYS 92 5.958 -7.998 14.109 683 HD3 LYS 92 HD3 LYS 92 6.710 -9.328 13.224 684 HE2 LYS 92 HE2 LYS 92 6.421 -10.058 15.466 685 HE3 LYS 92 HE3 LYS 92 8.140 -9.734 15.246 686 HZ1 LYS 92 HZ1 LYS 92 7.720 -8.707 17.235 687 HZ2 LYS 92 HZ2 LYS 92 6.153 -8.234 16.808 688 HZ3 LYS 92 HZ3 LYS 92 7.488 -7.412 16.171 689 H ASN 93 H ASN 93 10.621 -10.127 11.121 690 HA ASN 93 HA ASN 93 10.580 -12.234 10.252 691 HB2 ASN 93 HB2 ASN 93 12.585 -12.252 11.849 692 HB3 ASN 93 3HB ASN 93 11.554 -13.160 12.951 693 HD21 ASN 93 HD21 ASN 93 13.902 -13.505 10.770 694 HD22 ASN 93 HD22 ASN 93 13.555 -15.091 10.177 695 H GLU 94 H GLU 94 8.134 -11.843 10.531 696 HA GLU 94 HA GLU 94 7.007 -14.286 11.544 697 HB2 GLU 94 HB2 GLU 94 6.681 -11.726 12.996 698 HB3 GLU 94 HB3 GLU 94 5.222 -12.679 12.769 699 HG2 GLU 94 HG2 GLU 94 6.715 -14.626 13.669 700 HG3 GLU 94 HG3 GLU 94 7.669 -13.304 14.340 701 H PHE 95 H PHE 95 5.577 -11.075 11.015 702 HA PHE 95 HA PHE 95 3.899 -12.253 8.916 703 HB2 PHE 95 HB2 PHE 95 2.665 -11.184 10.714 704 HB3 PHE 95 3HB PHE 95 3.585 -9.698 10.504 705 HD1 PHE 95 HD1 PHE 95 1.103 -11.922 8.914 706 HD2 PHE 95 HD2 PHE 95 2.959 -8.092 8.901 707 HE1 PHE 95 HE1 PHE 95 -0.578 -11.117 7.308 708 HE2 PHE 95 HE2 PHE 95 1.281 -7.281 7.296 709 HZ PHE 95 HZ PHE 95 -0.491 -8.793 6.497 710 H THR 96 H THR 96 6.173 -9.655 9.555 711 HA THR 96 HA THR 96 5.904 -8.134 7.259 712 HB THR 96 HB THR 96 8.690 -8.607 8.136 713 HG1 THR 96 HG1 THR 96 7.837 -8.791 10.149 714 HG21 THR 96 HG21 THR 96 8.540 -6.078 8.344 715 HG22 THR 96 HG22 THR 96 6.915 -6.218 7.673 716 HG23 THR 96 HG23 THR 96 8.306 -6.743 6.727 717 H GLN 97 H GLN 97 7.549 -11.202 7.723 718 HA GLN 97 HA GLN 97 8.954 -11.249 5.276 719 HB2 GLN 97 HB2 GLN 97 7.923 -13.633 6.818 720 HB3 GLN 97 HB3 GLN 97 9.265 -13.606 5.681 721 HG2 GLN 97 HG2 GLN 97 10.646 -12.434 7.158 722 HG3 GLN 97 HG3 GLN 97 9.290 -11.945 8.173 723 HE21 GLN 97 HE21 GLN 97 7.998 -14.011 8.926 724 HE22 GLN 97 HE22 GLN 97 8.985 -15.224 9.659 725 H ALA 98 H ALA 98 5.737 -12.382 6.200 726 HA ALA 98 HA ALA 98 5.001 -13.798 3.960 727 HB1 ALA 98 HB1 ALA 98 2.870 -13.682 4.739 728 HB2 ALA 98 HB2 ALA 98 3.712 -13.120 6.182 729 HB3 ALA 98 HB3 ALA 98 2.971 -11.956 5.085 730 H TYR 99 H TYR 99 5.257 -10.328 4.363 731 HA TYR 99 HA TYR 99 3.814 -9.419 2.185 732 HB2 TYR 99 HB2 TYR 99 4.766 -7.895 3.821 733 HB3 TYR 99 3HB TYR 99 6.397 -8.334 3.325 734 HD1 TYR 99 HD1 TYR 99 3.364 -6.486 2.388 735 HD2 TYR 99 HD2 TYR 99 7.374 -7.425 1.317 736 HE1 TYR 99 HE1 TYR 99 3.343 -4.667 0.731 737 HE2 TYR 99 HE2 TYR 99 7.362 -5.610 -0.342 738 HH TYR 99 HH TYR 99 4.443 -3.700 -0.955 739 H ALA 100 H ALA 100 7.290 -10.210 2.275 740 HA ALA 100 HA ALA 100 7.866 -9.785 -0.404 741 HB1 ALA 100 HB1 ALA 100 9.897 -10.637 0.072 742 HB2 ALA 100 HB2 ALA 100 9.313 -10.567 1.734 743 HB3 ALA 100 HB3 ALA 100 9.233 -12.081 0.834 744 H LYS 101 H LYS 101 6.277 -12.483 1.140 745 HA LYS 101 HA LYS 101 6.482 -14.262 -1.091 746 HB2 LYS 101 HB2 LYS 101 4.384 -14.455 1.053 747 HB3 LYS 101 HB3 LYS 101 5.161 -15.754 0.155 748 HG2 LYS 101 HG2 LYS 101 6.414 -14.036 2.287 749 HG3 LYS 101 HG3 LYS 101 5.969 -15.740 2.417 750 HD2 LYS 101 HD2 LYS 101 7.575 -16.182 0.523 751 HD3 LYS 101 HD3 LYS 101 8.127 -14.516 0.707 752 HE2 LYS 101 HE2 LYS 101 8.804 -14.954 2.985 753 HE3 LYS 101 HE3 LYS 101 8.139 -16.584 2.903 754 HZ1 LYS 101 HZ1 LYS 101 9.858 -17.324 1.630 755 HZ2 LYS 101 HZ2 LYS 101 10.674 -16.135 2.515 756 HZ3 LYS 101 HZ3 LYS 101 10.165 -15.813 0.934 757 H LEU 102 H LEU 102 3.930 -12.157 0.193 758 HA LEU 102 HA LEU 102 1.991 -12.836 -1.754 759 HB2 LEU 102 HB2 LEU 102 2.255 -10.315 -0.122 760 HB3 LEU 102 3HB LEU 102 0.815 -10.829 -0.998 761 HG LEU 102 HG LEU 102 2.039 -12.233 1.376 762 HD11 LEU 102 HD11 LEU 102 -0.489 -10.613 1.114 763 HD12 LEU 102 HD12 LEU 102 0.969 -10.136 1.983 764 HD13 LEU 102 HD13 LEU 102 0.018 -11.511 2.546 765 HD21 LEU 102 HD21 LEU 102 0.929 -13.711 -0.316 766 HD22 LEU 102 HD22 LEU 102 -0.564 -12.819 -0.022 767 HD23 LEU 102 HD23 LEU 102 0.191 -13.733 1.285 768 H MET 103 H MET 103 4.737 -10.762 -1.802 769 HA MET 103 HA MET 103 4.034 -8.876 -3.714 770 HB2 MET 103 HB2 MET 103 6.105 -8.605 -2.596 771 HB3 MET 103 HB3 MET 103 6.665 -10.201 -3.082 772 HG2 MET 103 HG2 MET 103 7.404 -9.480 -5.069 773 HG3 MET 103 HG3 MET 103 6.037 -8.392 -5.300 774 HE1 MET 103 HE1 MET 103 8.153 -7.588 -6.513 775 HE2 MET 103 HE2 MET 103 8.087 -5.887 -6.051 776 HE3 MET 103 HE3 MET 103 9.548 -6.828 -5.747 777 H ASN 104 H ASN 104 5.965 -11.799 -4.399 778 HA ASN 104 HA ASN 104 5.722 -11.698 -7.164 779 HB2 ASN 104 HB2 ASN 104 7.361 -13.130 -6.111 780 HB3 ASN 104 3HB ASN 104 6.094 -14.089 -5.351 781 HD21 ASN 104 HD21 ASN 104 4.735 -15.374 -6.709 782 HD22 ASN 104 HD22 ASN 104 5.325 -15.950 -8.227 783 H GLN 105 H GLN 105 3.519 -12.922 -4.754 784 HA GLN 105 HA GLN 105 1.892 -14.573 -6.263 785 HB2 GLN 105 HB2 GLN 105 1.806 -13.416 -3.712 786 HB3 GLN 105 HB3 GLN 105 0.309 -12.925 -4.492 787 HG2 GLN 105 HG2 GLN 105 1.251 -15.776 -4.396 788 HG3 GLN 105 HG3 GLN 105 0.216 -15.054 -3.164 789 HE21 GLN 105 HE21 GLN 105 -1.528 -13.577 -4.543 790 HE22 GLN 105 HE22 GLN 105 -2.463 -14.556 -5.616 791 H TYR 106 H TYR 106 1.766 -11.050 -5.915 792 HA TYR 106 HA TYR 106 0.071 -10.961 -8.317 793 HB2 TYR 106 HB2 TYR 106 -0.889 -8.810 -7.192 794 HB3 TYR 106 3HB TYR 106 -1.502 -10.388 -6.708 795 HD1 TYR 106 HD1 TYR 106 1.304 -8.097 -5.759 796 HD2 TYR 106 HD2 TYR 106 -1.794 -10.703 -4.449 797 HE1 TYR 106 HE1 TYR 106 1.879 -7.597 -3.421 798 HE2 TYR 106 HE2 TYR 106 -1.227 -10.210 -2.106 799 HH TYR 106 HH TYR 106 1.619 -8.400 -1.248 800 H ARG 107 H ARG 107 2.901 -10.744 -8.199 801 HA ARG 107 HA ARG 107 3.650 -7.976 -8.281 802 HB2 ARG 107 HB2 ARG 107 5.833 -8.741 -8.839 803 HB3 ARG 107 HB3 ARG 107 5.186 -9.879 -7.665 804 HG2 ARG 107 HG2 ARG 107 5.964 -11.400 -9.121 805 HG3 ARG 107 HG3 ARG 107 4.435 -11.088 -9.944 806 HD2 ARG 107 HD2 ARG 107 6.047 -9.107 -10.929 807 HD3 ARG 107 HD3 ARG 107 7.173 -10.452 -10.749 808 HE ARG 107 HE ARG 107 4.746 -11.224 -12.045 809 HH11 ARG 107 HH11 ARG 107 7.848 -9.721 -12.532 810 HH12 ARG 107 HH12 ARG 107 7.924 -10.124 -14.215 811 HH21 ARG 107 HH21 ARG 107 4.835 -11.762 -14.259 812 HH22 ARG 107 HH22 ARG 107 6.210 -11.284 -15.197 813 H GLY 108 H GLY 108 4.661 -6.991 -10.220 814 HA2 GLY 108 HA1 GLY 108 4.854 -7.235 -12.705 815 HA3 GLY 108 HA2 GLY 108 3.185 -7.783 -12.655 816 H ILE 109 H ILE 109 1.927 -6.027 -11.069 817 HA ILE 109 HA ILE 109 1.814 -3.688 -12.727 818 HB ILE 109 HB ILE 109 0.036 -2.949 -11.113 819 HG12 ILE 109 HG12 ILE 109 1.224 -4.714 -9.387 820 HG13 ILE 109 HG13 ILE 109 -0.391 -4.043 -9.186 821 HG21 ILE 109 HG21 ILE 109 -0.181 -5.649 -12.428 822 HG22 ILE 109 HG22 ILE 109 -1.560 -4.768 -11.770 823 HG23 ILE 109 HG23 ILE 109 -0.628 -4.080 -13.100 824 HD11 ILE 109 HD11 ILE 109 -0.202 -6.525 -8.915 825 HD12 ILE 109 HD12 ILE 109 -1.399 -5.983 -10.092 826 HD13 ILE 109 HD13 ILE 109 0.154 -6.613 -10.640 827 H TYR 110 H TYR 110 3.217 -4.520 -9.660 828 HA TYR 110 HA TYR 110 4.213 -1.761 -9.418 829 HB2 TYR 110 HB2 TYR 110 3.770 -1.652 -7.153 830 HB3 TYR 110 3HB TYR 110 2.388 -2.585 -7.716 831 HD1 TYR 110 HD1 TYR 110 2.651 -5.178 -7.624 832 HD2 TYR 110 HD2 TYR 110 5.064 -2.465 -5.407 833 HE1 TYR 110 HE1 TYR 110 3.224 -6.981 -6.053 834 HE2 TYR 110 HE2 TYR 110 5.646 -4.262 -3.830 835 HH TYR 110 HH TYR 110 4.275 -6.640 -3.165 836 H SER 111 H SER 111 6.085 -1.799 -7.673 837 HA SER 111 HA SER 111 7.710 -4.187 -7.756 838 HB2 SER 111 HB2 SER 111 8.940 -1.704 -8.931 839 HB3 SER 111 3HB SER 111 9.499 -3.374 -9.042 840 HG SER 111 HG SER 111 8.497 -2.585 -10.980 841 H PHE 112 H PHE 112 9.728 -3.927 -6.513 842 HA PHE 112 HA PHE 112 10.208 -1.627 -4.932 843 HB2 PHE 112 HB2 PHE 112 8.328 -3.627 -3.888 844 HB3 PHE 112 3HB PHE 112 9.650 -3.244 -2.790 845 HD1 PHE 112 HD1 PHE 112 10.145 -0.564 -2.762 846 HD2 PHE 112 HD2 PHE 112 6.408 -2.441 -3.551 847 HE1 PHE 112 HE1 PHE 112 8.974 1.484 -2.064 848 HE2 PHE 112 HE2 PHE 112 5.229 -0.397 -2.855 849 HZ PHE 112 HZ PHE 112 6.512 1.569 -2.109 850 H GLU 113 H GLU 113 11.784 -2.166 -3.096 851 HA GLU 113 HA GLU 113 13.945 -3.628 -4.198 852 HB2 GLU 113 HB2 GLU 113 13.657 -1.713 -2.229 853 HB3 GLU 113 HB3 GLU 113 14.111 -3.148 -1.320 854 HG2 GLU 113 HG2 GLU 113 16.218 -2.726 -1.830 855 HG3 GLU 113 HG3 GLU 113 15.836 -3.092 -3.511 856 H LYS 114 H LYS 114 15.154 -5.269 -2.751 857 HA LYS 114 HA LYS 114 13.500 -7.570 -2.522 858 HB2 LYS 114 HB2 LYS 114 15.848 -7.731 -3.188 859 HB3 LYS 114 HB3 LYS 114 16.350 -7.114 -1.620 860 HG2 LYS 114 HG2 LYS 114 15.509 -9.082 -0.520 861 HG3 LYS 114 HG3 LYS 114 14.836 -9.684 -2.038 862 HD2 LYS 114 HD2 LYS 114 16.790 -10.582 -2.626 863 HD3 LYS 114 HD3 LYS 114 17.643 -9.068 -2.317 864 HE2 LYS 114 HE2 LYS 114 18.655 -10.421 -0.776 865 HE3 LYS 114 HE3 LYS 114 17.325 -9.790 0.194 866 HZ1 LYS 114 HZ1 LYS 114 17.861 -12.475 -0.615 867 HZ2 LYS 114 HZ2 LYS 114 16.292 -12.003 -1.036 868 HZ3 LYS 114 HZ3 LYS 114 16.803 -11.901 0.574 869 H VAL 115 H VAL 115 11.912 -6.900 -0.984 870 HA VAL 115 HA VAL 115 12.487 -6.062 1.636 871 HB VAL 115 HB VAL 115 10.157 -6.980 2.147 872 HG11 VAL 115 HG11 VAL 115 9.195 -5.261 0.328 873 HG12 VAL 115 HG12 VAL 115 10.028 -4.747 1.797 874 HG13 VAL 115 HG13 VAL 115 10.903 -4.826 0.267 875 HG21 VAL 115 HG21 VAL 115 10.585 -8.361 -0.225 876 HG22 VAL 115 HG22 VAL 115 9.064 -8.227 0.658 877 HG23 VAL 115 HG23 VAL 115 9.427 -7.102 -0.651 878 H LYS 116 H LYS 116 12.469 -7.187 3.607 879 HA LYS 116 HA LYS 116 12.835 -10.101 3.415 880 HB2 LYS 116 HB2 LYS 116 14.504 -8.156 5.016 881 HB3 LYS 116 HB3 LYS 116 14.593 -9.905 5.177 882 HG2 LYS 116 HG2 LYS 116 14.882 -9.095 2.423 883 HG3 LYS 116 HG3 LYS 116 16.070 -8.300 3.460 884 HD2 LYS 116 HD2 LYS 116 15.615 -11.213 3.841 885 HD3 LYS 116 HD3 LYS 116 16.502 -10.697 2.405 886 HE2 LYS 116 HE2 LYS 116 17.438 -9.298 4.744 887 HE3 LYS 116 HE3 LYS 116 17.504 -11.042 4.995 888 HZ1 LYS 116 HZ1 LYS 116 19.264 -11.172 3.681 889 HZ2 LYS 116 HZ2 LYS 116 19.295 -9.484 3.578 890 HZ3 LYS 116 HZ3 LYS 116 18.461 -10.387 2.415 891 H ALA 117 H ALA 117 12.895 -7.765 6.096 892 HA ALA 117 HA ALA 117 10.337 -8.234 7.088 893 HB1 ALA 117 HB1 ALA 117 12.190 -10.385 7.628 894 HB2 ALA 117 HB2 ALA 117 11.579 -9.667 9.118 895 HB3 ALA 117 HB3 ALA 117 10.452 -10.295 7.916 896 H HIS 118 H HIS 118 10.374 -6.115 7.691 897 HA HIS 118 HA HIS 118 11.385 -5.438 10.221 898 HB2 HIS 118 HB2 HIS 118 13.560 -5.394 9.120 899 HB3 HIS 118 3HB HIS 118 12.941 -4.296 7.889 900 HD1 HIS 118 HD1 HIS 118 13.791 -2.022 8.287 901 HD2 HIS 118 HD2 HIS 118 13.014 -4.010 11.851 902 HE1 HIS 118 HE1 HIS 118 14.341 -0.377 10.108 903 H SER 119 H SER 119 10.754 -3.338 10.900 904 HA SER 119 HA SER 119 9.645 -1.376 9.230 905 HB2 SER 119 HB2 SER 119 7.806 -3.534 10.111 906 HB3 SER 119 3HB SER 119 7.205 -1.882 10.248 907 HG SER 119 HG SER 119 7.445 -1.611 8.076 908 H GLY 120 H GLY 120 8.564 0.348 10.446 909 HA2 GLY 120 HA1 GLY 120 7.853 0.928 12.819 910 HA3 GLY 120 HA2 GLY 120 9.445 0.329 13.262 911 H ASN 121 H ASN 121 7.726 2.842 11.491 912 HA ASN 121 HA ASN 121 9.391 4.910 12.353 913 HB2 ASN 121 HB2 ASN 121 10.346 5.373 9.942 914 HB3 ASN 121 3HB ASN 121 11.200 4.304 11.051 915 HD21 ASN 121 HD21 ASN 121 11.739 2.378 10.322 916 HD22 ASN 121 HD22 ASN 121 11.060 1.589 8.944 917 H GLU 122 H GLU 122 9.132 6.907 10.778 918 HA GLU 122 HA GLU 122 6.271 7.055 10.198 919 HB2 GLU 122 HB2 GLU 122 6.535 9.452 10.254 920 HB3 GLU 122 HB3 GLU 122 7.316 8.761 11.669 921 HG2 GLU 122 HG2 GLU 122 9.490 8.959 10.542 922 HG3 GLU 122 HG3 GLU 122 8.687 9.710 9.165 923 H PHE 123 H PHE 123 8.879 6.176 8.520 924 HA PHE 123 HA PHE 123 9.023 7.707 6.229 925 HB2 PHE 123 HB2 PHE 123 9.485 4.814 6.812 926 HB3 PHE 123 3HB PHE 123 9.483 5.343 5.133 927 HD1 PHE 123 HD1 PHE 123 11.107 7.112 4.415 928 HD2 PHE 123 HD2 PHE 123 11.330 5.198 8.210 929 HE1 PHE 123 HE1 PHE 123 13.444 7.847 4.645 930 HE2 PHE 123 HE2 PHE 123 13.666 5.931 8.446 931 HZ PHE 123 HZ PHE 123 14.727 7.256 6.661 932 H ASN 124 H ASN 124 6.556 5.460 7.223 933 HA ASN 124 HA ASN 124 5.309 5.262 4.647 934 HB2 ASN 124 HB2 ASN 124 3.448 4.187 5.933 935 HB3 ASN 124 3HB ASN 124 5.020 3.434 6.189 936 HD21 ASN 124 HD21 ASN 124 2.396 5.107 7.613 937 HD22 ASN 124 HD22 ASN 124 2.972 5.084 9.241 938 H ASP 125 H ASP 125 4.531 6.954 7.677 939 HA ASP 125 HA ASP 125 2.181 8.190 6.904 940 HB2 ASP 125 HB2 ASP 125 4.303 8.774 8.895 941 HB3 ASP 125 3HB ASP 125 3.218 10.102 8.490 942 H TYR 126 H TYR 126 5.418 8.838 5.900 943 HA TYR 126 HA TYR 126 5.329 11.489 5.140 944 HB2 TYR 126 HB2 TYR 126 7.419 10.560 4.845 945 HB3 TYR 126 3HB TYR 126 6.782 9.090 4.117 946 HD1 TYR 126 HD1 TYR 126 6.182 9.042 1.736 947 HD2 TYR 126 HD2 TYR 126 7.926 12.495 3.507 948 HE1 TYR 126 HE1 TYR 126 6.710 9.915 -0.502 949 HE2 TYR 126 HE2 TYR 126 8.458 13.378 1.274 950 HH TYR 126 HH TYR 126 8.811 11.948 -1.234 951 H VAL 127 H VAL 127 3.790 8.732 3.680 952 HA VAL 127 HA VAL 127 3.264 9.708 1.122 953 HB VAL 127 HB VAL 127 1.290 8.190 1.131 954 HG11 VAL 127 HG11 VAL 127 2.557 6.145 1.291 955 HG12 VAL 127 HG12 VAL 127 3.579 7.406 0.598 956 HG13 VAL 127 HG13 VAL 127 3.777 6.936 2.288 957 HG21 VAL 127 HG21 VAL 127 1.611 8.466 3.967 958 HG22 VAL 127 HG22 VAL 127 0.294 7.722 3.062 959 HG23 VAL 127 HG23 VAL 127 1.705 6.765 3.514 960 H ASP 128 H ASP 128 2.007 10.689 4.157 961 HA ASP 128 HA ASP 128 -0.513 11.666 3.443 962 HB2 ASP 128 HB2 ASP 128 1.433 12.716 5.508 963 HB3 ASP 128 3HB ASP 128 -0.263 13.175 5.401 964 H MET 129 H MET 129 2.605 13.390 3.570 965 HA MET 129 HA MET 129 1.539 15.776 2.424 966 HB2 MET 129 HB2 MET 129 3.864 15.098 3.761 967 HB3 MET 129 HB3 MET 129 4.422 15.416 2.123 968 HG2 MET 129 HG2 MET 129 4.014 17.620 2.265 969 HG3 MET 129 HG3 MET 129 2.556 17.398 3.230 970 HE1 MET 129 HE1 MET 129 6.743 16.927 5.080 971 HE2 MET 129 HE2 MET 129 5.755 15.540 4.620 972 HE3 MET 129 HE3 MET 129 6.340 16.655 3.385 973 H LYS 130 H LYS 130 3.351 13.012 1.174 974 HA LYS 130 HA LYS 130 3.847 13.984 -1.404 975 HB2 LYS 130 HB2 LYS 130 4.336 11.626 -0.018 976 HB3 LYS 130 HB3 LYS 130 3.290 11.126 -1.341 977 HG2 LYS 130 HG2 LYS 130 5.810 12.733 -1.701 978 HG3 LYS 130 HG3 LYS 130 5.721 10.975 -1.835 979 HD2 LYS 130 HD2 LYS 130 5.343 11.389 -4.013 980 HD3 LYS 130 HD3 LYS 130 3.696 11.733 -3.481 981 HE2 LYS 130 HE2 LYS 130 4.978 14.117 -3.041 982 HE3 LYS 130 HE3 LYS 130 5.758 13.531 -4.510 983 HZ1 LYS 130 HZ1 LYS 130 3.291 13.081 -5.202 984 HZ2 LYS 130 HZ2 LYS 130 3.973 14.618 -5.384 985 HZ3 LYS 130 HZ3 LYS 130 2.963 14.292 -4.067 986 H ALA 131 H ALA 131 1.199 11.890 -0.261 987 HA ALA 131 HA ALA 131 -0.204 11.648 -2.631 988 HB1 ALA 131 HB1 ALA 131 -1.008 11.580 0.241 989 HB2 ALA 131 HB2 ALA 131 -2.249 11.529 -1.012 990 HB3 ALA 131 HB3 ALA 131 -1.001 10.285 -0.957 991 H LYS 132 H LYS 132 -0.143 14.309 -0.344 992 HA LYS 132 HA LYS 132 -2.368 15.751 -1.122 993 HB2 LYS 132 HB2 LYS 132 -0.080 16.208 0.456 994 HB3 LYS 132 HB3 LYS 132 -0.151 17.540 -0.690 995 HG2 LYS 132 HG2 LYS 132 -2.725 17.454 0.107 996 HG3 LYS 132 HG3 LYS 132 -1.914 16.888 1.570 997 HD2 LYS 132 HD2 LYS 132 -0.401 18.889 1.377 998 HD3 LYS 132 HD3 LYS 132 -1.462 19.477 0.094 999 HE2 LYS 132 HE2 LYS 132 -2.216 20.542 2.046 1000 HE3 LYS 132 HE3 LYS 132 -3.360 19.229 1.770 1001 HZ1 LYS 132 HZ1 LYS 132 -1.242 18.294 3.367 1002 HZ2 LYS 132 HZ2 LYS 132 -2.884 18.416 3.757 1003 HZ3 LYS 132 HZ3 LYS 132 -1.846 19.718 4.052 1004 H SER 133 H SER 133 0.819 15.598 -2.628 1005 HA SER 133 HA SER 133 0.190 17.600 -4.598 1006 HB2 SER 133 HB2 SER 133 2.537 16.338 -3.660 1007 HB3 SER 133 3HB SER 133 2.407 15.937 -5.372 1008 HG SER 133 HG SER 133 3.459 18.035 -4.637 1009 H ALA 134 H ALA 134 0.104 14.111 -4.384 1010 HA ALA 134 HA ALA 134 -0.084 13.467 -7.097 1011 HB1 ALA 134 HB1 ALA 134 -1.381 12.057 -4.767 1012 HB2 ALA 134 HB2 ALA 134 -1.092 11.374 -6.368 1013 HB3 ALA 134 HB3 ALA 134 0.271 11.805 -5.335 1014 H LEU 135 H LEU 135 -2.520 14.565 -4.811 1015 HA LEU 135 HA LEU 135 -4.690 14.169 -6.679 1016 HB2 LEU 135 HB2 LEU 135 -5.395 13.869 -4.503 1017 HB3 LEU 135 3HB LEU 135 -4.432 15.216 -3.897 1018 HG LEU 135 HG LEU 135 -6.689 15.859 -5.715 1019 HD11 LEU 135 HD11 LEU 135 -8.374 15.309 -4.333 1020 HD12 LEU 135 HD12 LEU 135 -7.428 15.623 -2.880 1021 HD13 LEU 135 HD13 LEU 135 -7.238 14.096 -3.741 1022 HD21 LEU 135 HD21 LEU 135 -6.517 17.366 -3.290 1023 HD22 LEU 135 HD22 LEU 135 -6.259 17.896 -4.952 1024 HD23 LEU 135 HD23 LEU 135 -4.916 17.234 -4.018 1025 H GLY 136 H GLY 136 -2.980 16.939 -5.247 1026 HA2 GLY 136 HA1 GLY 136 -2.417 18.763 -6.813 1027 HA3 GLY 136 HA2 GLY 136 -4.041 18.586 -7.460 1028 H ILE 137 H ILE 137 -2.125 19.751 -4.778 1029 HA ILE 137 HA ILE 137 -4.485 21.218 -3.793 1030 HB ILE 137 HB ILE 137 -2.023 20.414 -2.240 1031 HG12 ILE 137 HG12 ILE 137 -3.545 18.531 -2.765 1032 HG13 ILE 137 HG13 ILE 137 -3.492 18.889 -1.042 1033 HG21 ILE 137 HG21 ILE 137 -4.208 22.296 -1.710 1034 HG22 ILE 137 HG22 ILE 137 -3.885 21.154 -0.406 1035 HG23 ILE 137 HG23 ILE 137 -2.595 22.198 -1.004 1036 HD11 ILE 137 HD11 ILE 137 -5.666 19.652 -2.975 1037 HD12 ILE 137 HD12 ILE 137 -5.752 18.437 -1.699 1038 HD13 ILE 137 HD13 ILE 137 -5.603 20.145 -1.283 1039 H ARG 138 H ARG 138 -4.310 23.399 -3.372 1040 HA ARG 138 HA ARG 138 -2.664 24.944 -4.971 1041 HB2 ARG 138 HB2 ARG 138 -3.268 26.823 -3.349 1042 HB3 ARG 138 HB3 ARG 138 -4.601 25.978 -4.123 1043 HG2 ARG 138 HG2 ARG 138 -3.862 24.743 -1.613 1044 HG3 ARG 138 HG3 ARG 138 -4.283 26.445 -1.418 1045 HD2 ARG 138 HD2 ARG 138 -6.271 25.678 -3.045 1046 HD3 ARG 138 HD3 ARG 138 -5.961 24.149 -2.225 1047 HE ARG 138 HE ARG 138 -6.917 25.020 -0.345 1048 HH11 ARG 138 HH11 ARG 138 -6.033 27.635 -2.466 1049 HH12 ARG 138 HH12 ARG 138 -6.791 28.852 -1.495 1050 HH21 ARG 138 HH21 ARG 138 -7.918 26.614 0.943 1051 HH22 ARG 138 HH22 ARG 138 -7.863 28.271 0.445 1052 H ASP 139 H ASP 139 -1.159 26.708 -4.060 1053 HA ASP 139 HA ASP 139 0.353 26.313 -1.745 1054 HB2 ASP 139 HB2 ASP 139 0.932 24.333 -3.567 1055 HB3 ASP 139 3HB ASP 139 2.186 25.527 -3.892 1056 H LEU 140 H LEU 140 2.702 27.347 -2.137 1057 HA LEU 140 HA LEU 140 2.708 29.426 -4.138 1058 HB2 LEU 140 HB2 LEU 140 2.484 31.281 -2.794 1059 HB3 LEU 140 3HB LEU 140 1.293 30.178 -2.107 1060 HG LEU 140 HG LEU 140 4.006 30.861 -0.984 1061 HD11 LEU 140 HD11 LEU 140 1.799 31.169 0.803 1062 HD12 LEU 140 HD12 LEU 140 1.468 32.043 -0.693 1063 HD13 LEU 140 HD13 LEU 140 2.938 32.383 0.220 1064 HD21 LEU 140 HD21 LEU 140 3.513 29.348 0.829 1065 HD22 LEU 140 HD22 LEU 140 3.476 28.466 -0.698 1066 HD23 LEU 140 HD23 LEU 140 1.966 28.920 0.096 1067 H GLU 141 H GLU 141 4.638 31.057 -3.348 1068 HA GLU 141 HA GLU 141 6.994 29.642 -3.696 1069 HB2 GLU 141 HB2 GLU 141 6.427 32.224 -3.809 1070 HB3 GLU 141 HB3 GLU 141 7.065 32.208 -2.171 1071 HG2 GLU 141 HG2 GLU 141 9.126 31.115 -3.091 1072 HG3 GLU 141 HG3 GLU 141 8.486 31.431 -4.702 1073 H HIS 142 H HIS 142 8.249 28.464 -2.407 1074 HA HIS 142 HA HIS 142 8.630 29.005 0.358 1075 HB2 HIS 142 HB2 HIS 142 7.574 27.083 1.335 1076 HB3 HIS 142 3HB HIS 142 6.360 27.934 0.386 1077 HD1 HIS 142 HD1 HIS 142 6.947 24.692 1.165 1078 HD2 HIS 142 HD2 HIS 142 6.780 26.612 -2.516 1079 HE1 HIS 142 HE1 HIS 142 6.437 22.888 -0.512 1080 H HIS 143 H HIS 143 10.342 27.839 1.236 1081 HA HIS 143 HA HIS 143 11.476 25.565 -0.068 1082 HB2 HIS 143 HB2 HIS 143 12.187 27.425 -1.586 1083 HB3 HIS 143 3HB HIS 143 13.056 28.138 -0.230 1084 HD1 HIS 143 HD1 HIS 143 15.464 27.677 -0.442 1085 HD2 HIS 143 HD2 HIS 143 13.170 24.476 -1.766 1086 HE1 HIS 143 HE1 HIS 143 17.113 25.911 -1.140 1087 H HIS 144 H HIS 144 11.615 24.548 1.871 1088 HA HIS 144 HA HIS 144 13.825 25.052 3.532 1089 HB2 HIS 144 HB2 HIS 144 12.504 26.937 4.350 1090 HB3 HIS 144 3HB HIS 144 11.151 25.863 4.693 1091 HD1 HIS 144 HD1 HIS 144 10.995 25.806 7.165 1092 HD2 HIS 144 HD2 HIS 144 14.918 25.438 5.847 1093 HE1 HIS 144 HE1 HIS 144 12.362 25.382 9.233 1094 H HIS 145 H HIS 145 14.338 23.227 4.595 1095 HA HIS 145 HA HIS 145 12.450 21.416 5.680 1096 HB2 HIS 145 HB2 HIS 145 12.444 21.088 3.051 1097 HB3 HIS 145 3HB HIS 145 13.896 20.151 3.392 1098 HD1 HIS 145 HD1 HIS 145 10.565 20.280 5.234 1099 HD2 HIS 145 HD2 HIS 145 13.090 17.573 3.349 1100 HE1 HIS 145 HE1 HIS 145 9.510 18.025 5.581 1101 H HIS 146 H HIS 146 14.928 22.795 6.355 1102 HA HIS 146 HA HIS 146 16.889 22.440 7.456 1103 HB2 HIS 146 HB2 HIS 146 15.056 20.418 8.292 1104 HB3 HIS 146 3HB HIS 146 16.664 19.706 8.210 1105 HD1 HIS 146 HD1 HIS 146 18.434 21.878 9.263 1106 HD2 HIS 146 HD2 HIS 146 14.703 21.054 10.892 1107 HE1 HIS 146 HE1 HIS 146 18.512 22.777 11.611 1108 H HIS 147 H HIS 147 18.676 20.498 7.735 1109 HA HIS 147 HA HIS 147 19.159 19.348 5.080 1110 HB2 HIS 147 HB2 HIS 147 20.360 21.590 5.440 1111 HB3 HIS 147 3HB HIS 147 21.361 20.728 6.604 1112 HD1 HIS 147 HD1 HIS 147 23.415 21.206 5.038 1113 HD2 HIS 147 HD2 HIS 147 20.480 18.769 3.391 1114 HE1 HIS 147 HE1 HIS 147 24.479 20.136 3.027 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -6.042 2.992 -19.645 2 HA MET 1 HA MET 1 -3.531 1.792 -20.123 3 HB2 MET 1 HB2 MET 1 -5.150 3.896 -21.290 4 HB3 MET 1 HB3 MET 1 -3.446 4.333 -21.286 5 HG2 MET 1 HG2 MET 1 -3.011 2.959 -22.965 6 HG3 MET 1 HG3 MET 1 -3.799 1.612 -22.150 7 HE1 MET 1 HE1 MET 1 -4.259 4.441 -24.944 8 HE2 MET 1 HE2 MET 1 -5.996 4.697 -24.768 9 HE3 MET 1 HE3 MET 1 -4.910 5.064 -23.426 10 H ASP 2 H ASP 2 -4.411 4.911 -18.657 11 HA ASP 2 HA ASP 2 -1.998 4.831 -17.049 12 HB2 ASP 2 HB2 ASP 2 -2.253 6.522 -19.407 13 HB3 ASP 2 3HB ASP 2 -1.949 7.461 -17.948 14 H ASP 3 H ASP 3 -1.940 7.055 -15.744 15 HA ASP 3 HA ASP 3 -4.651 7.892 -15.038 16 HB2 ASP 3 HB2 ASP 3 -4.250 7.529 -12.646 17 HB3 ASP 3 3HB ASP 3 -4.149 6.013 -13.539 18 H ARG 4 H ARG 4 -4.156 9.438 -12.873 19 HA ARG 4 HA ARG 4 -2.194 11.393 -13.877 20 HB2 ARG 4 HB2 ARG 4 -3.602 13.162 -13.198 21 HB3 ARG 4 HB3 ARG 4 -4.662 12.008 -13.996 22 HG2 ARG 4 HG2 ARG 4 -5.222 11.110 -11.712 23 HG3 ARG 4 HG3 ARG 4 -4.362 12.503 -11.049 24 HD2 ARG 4 HD2 ARG 4 -6.395 13.057 -13.124 25 HD3 ARG 4 HD3 ARG 4 -6.993 12.503 -11.561 26 HE ARG 4 HE ARG 4 -5.906 15.066 -12.165 27 HH11 ARG 4 HH11 ARG 4 -6.204 12.676 -9.652 28 HH12 ARG 4 HH12 ARG 4 -6.055 13.823 -8.363 29 HH21 ARG 4 HH21 ARG 4 -5.708 16.587 -10.477 30 HH22 ARG 4 HH22 ARG 4 -5.773 16.048 -8.833 31 H THR 5 H THR 5 -1.931 9.160 -11.881 32 HA THR 5 HA THR 5 -1.775 10.199 -9.274 33 HB THR 5 HB THR 5 -0.075 8.299 -8.936 34 HG1 THR 5 HG1 THR 5 0.584 7.353 -10.701 35 HG21 THR 5 HG21 THR 5 -2.490 8.153 -8.402 36 HG22 THR 5 HG22 THR 5 -1.817 6.615 -8.943 37 HG23 THR 5 HG23 THR 5 -2.792 7.587 -10.045 38 H GLU 6 H GLU 6 0.004 10.905 -8.046 39 HA GLU 6 HA GLU 6 1.879 12.508 -9.525 40 HB2 GLU 6 HB2 GLU 6 0.884 12.370 -6.809 41 HB3 GLU 6 HB3 GLU 6 2.635 12.527 -6.831 42 HG2 GLU 6 HG2 GLU 6 0.650 14.363 -8.150 43 HG3 GLU 6 HG3 GLU 6 1.611 14.703 -6.713 44 H TYR 7 H TYR 7 2.190 9.861 -7.158 45 HA TYR 7 HA TYR 7 4.186 8.481 -8.532 46 HB2 TYR 7 HB2 TYR 7 5.212 10.812 -7.399 47 HB3 TYR 7 3HB TYR 7 5.671 9.542 -6.270 48 HD1 TYR 7 HD1 TYR 7 5.368 9.444 -9.984 49 HD2 TYR 7 HD2 TYR 7 7.945 9.195 -6.609 50 HE1 TYR 7 HE1 TYR 7 7.231 8.813 -11.462 51 HE2 TYR 7 HE2 TYR 7 9.816 8.564 -8.076 52 HH TYR 7 HH TYR 7 10.463 8.796 -10.436 53 H ASP 8 H ASP 8 4.020 9.403 -5.096 54 HA ASP 8 HA ASP 8 3.973 6.621 -4.319 55 HB2 ASP 8 HB2 ASP 8 5.079 8.745 -3.139 56 HB3 ASP 8 3HB ASP 8 3.518 8.784 -2.325 57 H VAL 9 H VAL 9 2.370 5.875 -2.664 58 HA VAL 9 HA VAL 9 -0.319 6.831 -3.395 59 HB VAL 9 HB VAL 9 0.596 4.090 -2.522 60 HG11 VAL 9 HG11 VAL 9 -1.845 3.497 -2.947 61 HG12 VAL 9 HG12 VAL 9 -1.480 4.361 -1.452 62 HG13 VAL 9 HG13 VAL 9 -2.169 5.227 -2.827 63 HG21 VAL 9 HG21 VAL 9 -0.851 4.850 -5.043 64 HG22 VAL 9 HG22 VAL 9 0.908 4.873 -4.927 65 HG23 VAL 9 HG23 VAL 9 0.029 3.365 -4.686 66 H TYR 10 H TYR 10 -1.829 7.227 -1.814 67 HA TYR 10 HA TYR 10 -0.829 7.947 0.757 68 HB2 TYR 10 HB2 TYR 10 -2.595 9.263 -0.225 69 HB3 TYR 10 3HB TYR 10 -3.638 7.851 -0.353 70 HD1 TYR 10 HD1 TYR 10 -1.606 9.324 2.422 71 HD2 TYR 10 HD2 TYR 10 -5.428 8.016 1.087 72 HE1 TYR 10 HE1 TYR 10 -2.545 9.825 4.639 73 HE2 TYR 10 HE2 TYR 10 -6.378 8.514 3.300 74 HH TYR 10 HH TYR 10 -5.790 8.896 5.513 75 H THR 11 H THR 11 -0.005 5.860 1.432 76 HA THR 11 HA THR 11 -2.126 4.131 2.530 77 HB THR 11 HB THR 11 -0.416 2.267 2.412 78 HG1 THR 11 HG1 THR 11 0.865 3.797 0.418 79 HG21 THR 11 HG21 THR 11 -2.022 3.424 0.303 80 HG22 THR 11 HG22 THR 11 -1.773 1.730 0.722 81 HG23 THR 11 HG23 THR 11 -0.639 2.549 -0.352 82 H ASP 12 H ASP 12 -1.014 2.636 4.305 83 HA ASP 12 HA ASP 12 -0.254 2.553 6.449 84 HB2 ASP 12 HB2 ASP 12 1.851 4.582 5.796 85 HB3 ASP 12 3HB ASP 12 1.971 3.130 6.785 86 H GLY 13 H GLY 13 -2.113 3.576 7.307 87 HA2 GLY 13 HA1 GLY 13 -1.886 5.470 9.165 88 HA3 GLY 13 HA2 GLY 13 -2.028 6.459 7.719 89 H SER 14 H SER 14 -3.662 4.139 9.783 90 HA SER 14 HA SER 14 -6.174 5.358 9.485 91 HB2 SER 14 HB2 SER 14 -5.724 4.050 7.219 92 HB3 SER 14 3HB SER 14 -6.277 2.677 8.177 93 HG SER 14 HG SER 14 -8.018 3.690 7.127 94 H TYR 15 H TYR 15 -7.610 4.625 11.000 95 HA TYR 15 HA TYR 15 -7.660 2.080 12.154 96 HB2 TYR 15 HB2 TYR 15 -6.699 2.745 14.429 97 HB3 TYR 15 3HB TYR 15 -5.543 2.428 13.140 98 HD1 TYR 15 HD1 TYR 15 -7.291 5.172 14.934 99 HD2 TYR 15 HD2 TYR 15 -3.971 4.053 12.520 100 HE1 TYR 15 HE1 TYR 15 -6.289 7.389 15.295 101 HE2 TYR 15 HE2 TYR 15 -2.958 6.266 12.875 102 HH TYR 15 HH TYR 15 -3.817 8.321 15.244 103 H VAL 16 H VAL 16 -9.037 1.985 14.096 104 HA VAL 16 HA VAL 16 -10.658 4.399 14.512 105 HB VAL 16 HB VAL 16 -11.925 3.110 12.923 106 HG11 VAL 16 HG11 VAL 16 -12.478 0.825 13.159 107 HG12 VAL 16 HG12 VAL 16 -10.748 0.941 13.489 108 HG13 VAL 16 HG13 VAL 16 -11.892 0.777 14.821 109 HG21 VAL 16 HG21 VAL 16 -13.158 2.567 15.614 110 HG22 VAL 16 HG22 VAL 16 -13.070 4.181 14.908 111 HG23 VAL 16 HG23 VAL 16 -13.976 2.908 14.090 112 H ASN 17 H ASN 17 -10.577 4.865 16.602 113 HA ASN 17 HA ASN 17 -10.722 4.659 18.866 114 HB2 ASN 17 HB2 ASN 17 -12.569 2.986 18.198 115 HB3 ASN 17 3HB ASN 17 -11.378 1.738 18.547 116 HD21 ASN 17 HD21 ASN 17 -13.940 3.153 19.803 117 HD22 ASN 17 HD22 ASN 17 -13.552 3.118 21.486 118 H GLY 18 H GLY 18 -9.615 1.399 17.936 119 HA2 GLY 18 HA1 GLY 18 -6.901 1.981 18.724 120 HA3 GLY 18 HA2 GLY 18 -7.758 0.957 19.865 121 H GLN 19 H GLN 19 -8.574 0.728 16.517 122 HA GLN 19 HA GLN 19 -7.261 -1.902 16.425 123 HB2 GLN 19 HB2 GLN 19 -9.898 -1.098 15.830 124 HB3 GLN 19 HB3 GLN 19 -9.145 -1.492 14.290 125 HG2 GLN 19 HG2 GLN 19 -8.351 -3.595 15.788 126 HG3 GLN 19 HG3 GLN 19 -9.913 -3.234 16.521 127 HE21 GLN 19 HE21 GLN 19 -11.331 -2.357 14.343 128 HE22 GLN 19 HE22 GLN 19 -11.537 -3.658 13.226 129 H TYR 20 H TYR 20 -7.043 -2.518 13.891 130 HA TYR 20 HA TYR 20 -5.345 -0.397 12.759 131 HB2 TYR 20 HB2 TYR 20 -3.979 -2.078 11.786 132 HB3 TYR 20 3HB TYR 20 -4.279 -2.598 13.440 133 HD1 TYR 20 HD1 TYR 20 -5.960 -4.407 13.869 134 HD2 TYR 20 HD2 TYR 20 -4.660 -3.403 9.944 135 HE1 TYR 20 HE1 TYR 20 -6.805 -6.564 13.043 136 HE2 TYR 20 HE2 TYR 20 -5.502 -5.557 9.107 137 HH TYR 20 HH TYR 20 -6.162 -7.668 9.796 138 H ALA 21 H ALA 21 -5.720 0.355 10.753 139 HA ALA 21 HA ALA 21 -7.665 -1.058 9.064 140 HB1 ALA 21 HB1 ALA 21 -8.902 0.897 8.601 141 HB2 ALA 21 HB2 ALA 21 -8.710 0.853 10.355 142 HB3 ALA 21 HB3 ALA 21 -7.707 1.931 9.384 143 H TRP 22 H TRP 22 -7.711 0.033 6.807 144 HA TRP 22 HA TRP 22 -5.096 1.070 6.022 145 HB2 TRP 22 HB2 TRP 22 -5.116 -0.604 4.077 146 HB3 TRP 22 3HB TRP 22 -4.668 -1.218 5.665 147 HD1 TRP 22 HD1 TRP 22 -6.360 -2.907 6.854 148 HE1 TRP 22 HE1 TRP 22 -8.308 -4.322 5.944 149 HE3 TRP 22 HE3 TRP 22 -7.008 -0.590 2.343 150 HZ2 TRP 22 HZ2 TRP 22 -9.907 -4.442 3.621 151 HZ3 TRP 22 HZ3 TRP 22 -8.768 -1.417 0.835 152 HH2 TRP 22 HH2 TRP 22 -10.186 -3.302 1.462 153 H ALA 23 H ALA 23 -5.262 2.616 4.520 154 HA ALA 23 HA ALA 23 -7.630 2.687 2.794 155 HB1 ALA 23 HB1 ALA 23 -6.744 5.297 3.856 156 HB2 ALA 23 HB2 ALA 23 -8.364 4.720 3.462 157 HB3 ALA 23 HB3 ALA 23 -7.599 4.237 4.976 158 H TYR 24 H TYR 24 -7.191 3.221 0.738 159 HA TYR 24 HA TYR 24 -4.663 4.582 0.133 160 HB2 TYR 24 HB2 TYR 24 -4.482 2.967 -1.867 161 HB3 TYR 24 3HB TYR 24 -4.024 2.363 -0.278 162 HD1 TYR 24 HD1 TYR 24 -6.962 2.513 -2.577 163 HD2 TYR 24 HD2 TYR 24 -4.911 0.353 0.461 164 HE1 TYR 24 HE1 TYR 24 -8.553 0.655 -2.834 165 HE2 TYR 24 HE2 TYR 24 -6.496 -1.512 0.212 166 HH TYR 24 HH TYR 24 -8.453 -1.931 -2.359 167 H ALA 25 H ALA 25 -4.680 5.866 -1.697 168 HA ALA 25 HA ALA 25 -7.320 6.617 -2.643 169 HB1 ALA 25 HB1 ALA 25 -5.957 8.408 -3.865 170 HB2 ALA 25 HB2 ALA 25 -6.014 8.478 -2.104 171 HB3 ALA 25 HB3 ALA 25 -4.589 7.828 -2.915 172 H PHE 26 H PHE 26 -8.165 6.082 -4.554 173 HA PHE 26 HA PHE 26 -6.394 4.819 -6.542 174 HB2 PHE 26 HB2 PHE 26 -9.036 4.041 -5.475 175 HB3 PHE 26 3HB PHE 26 -8.851 3.885 -7.219 176 HD1 PHE 26 HD1 PHE 26 -6.279 3.384 -4.595 177 HD2 PHE 26 HD2 PHE 26 -8.778 1.578 -7.529 178 HE1 PHE 26 HE1 PHE 26 -5.104 1.246 -4.275 179 HE2 PHE 26 HE2 PHE 26 -7.608 -0.564 -7.212 180 HZ PHE 26 HZ PHE 26 -5.767 -0.730 -5.584 181 H VAL 27 H VAL 27 -6.283 5.739 -8.486 182 HA VAL 27 HA VAL 27 -8.509 7.291 -9.526 183 HB VAL 27 HB VAL 27 -5.841 8.505 -8.858 184 HG11 VAL 27 HG11 VAL 27 -7.020 10.479 -10.243 185 HG12 VAL 27 HG12 VAL 27 -5.870 9.346 -10.957 186 HG13 VAL 27 HG13 VAL 27 -7.604 9.087 -11.153 187 HG21 VAL 27 HG21 VAL 27 -7.643 8.722 -7.220 188 HG22 VAL 27 HG22 VAL 27 -7.223 10.285 -7.919 189 HG23 VAL 27 HG23 VAL 27 -8.679 9.445 -8.451 190 H LYS 28 H LYS 28 -8.776 6.320 -11.429 191 HA LYS 28 HA LYS 28 -6.392 5.844 -13.097 192 HB2 LYS 28 HB2 LYS 28 -7.602 3.985 -14.138 193 HB3 LYS 28 HB3 LYS 28 -7.434 3.744 -12.404 194 HG2 LYS 28 HG2 LYS 28 -9.628 3.575 -12.159 195 HG3 LYS 28 HG3 LYS 28 -9.888 5.119 -12.975 196 HD2 LYS 28 HD2 LYS 28 -9.172 2.936 -14.784 197 HD3 LYS 28 HD3 LYS 28 -10.683 2.668 -13.911 198 HE2 LYS 28 HE2 LYS 28 -10.518 5.380 -14.874 199 HE3 LYS 28 HE3 LYS 28 -10.291 4.235 -16.194 200 HZ1 LYS 28 HZ1 LYS 28 -12.391 3.254 -14.705 201 HZ2 LYS 28 HZ2 LYS 28 -12.481 4.000 -16.220 202 HZ3 LYS 28 HZ3 LYS 28 -12.671 4.919 -14.813 203 H ASP 29 H ASP 29 -6.451 6.458 -15.231 204 HA ASP 29 HA ASP 29 -7.160 7.495 -17.139 205 HB2 ASP 29 HB2 ASP 29 -9.343 6.157 -16.520 206 HB3 ASP 29 3HB ASP 29 -9.958 7.756 -16.109 207 H GLY 30 H GLY 30 -6.899 8.763 -14.220 208 HA2 GLY 30 HA1 GLY 30 -6.355 10.985 -13.721 209 HA3 GLY 30 HA2 GLY 30 -7.113 11.484 -15.227 210 H LYS 31 H LYS 31 -8.780 9.384 -13.013 211 HA LYS 31 HA LYS 31 -10.247 11.577 -11.797 212 HB2 LYS 31 HB2 LYS 31 -12.441 10.656 -12.497 213 HB3 LYS 31 HB3 LYS 31 -11.494 11.273 -13.845 214 HG2 LYS 31 HG2 LYS 31 -10.722 8.801 -14.086 215 HG3 LYS 31 HG3 LYS 31 -12.171 8.454 -13.139 216 HD2 LYS 31 HD2 LYS 31 -12.755 8.299 -15.452 217 HD3 LYS 31 HD3 LYS 31 -13.481 9.776 -14.812 218 HE2 LYS 31 HE2 LYS 31 -11.861 11.140 -15.855 219 HE3 LYS 31 HE3 LYS 31 -10.816 9.765 -16.204 220 HZ1 LYS 31 HZ1 LYS 31 -13.499 9.730 -17.353 221 HZ2 LYS 31 HZ2 LYS 31 -12.040 9.166 -17.996 222 HZ3 LYS 31 HZ3 LYS 31 -12.391 10.821 -18.019 223 H VAL 32 H VAL 32 -11.789 10.797 -10.138 224 HA VAL 32 HA VAL 32 -10.572 8.829 -8.495 225 HB VAL 32 HB VAL 32 -13.344 9.979 -8.178 226 HG11 VAL 32 HG11 VAL 32 -13.047 9.490 -5.829 227 HG12 VAL 32 HG12 VAL 32 -12.794 8.022 -6.775 228 HG13 VAL 32 HG13 VAL 32 -11.411 8.904 -6.128 229 HG21 VAL 32 HG21 VAL 32 -11.543 11.303 -6.481 230 HG22 VAL 32 HG22 VAL 32 -10.794 11.294 -8.078 231 HG23 VAL 32 HG23 VAL 32 -12.408 11.972 -7.866 232 H HIS 33 H HIS 33 -10.683 6.713 -8.819 233 HA HIS 33 HA HIS 33 -12.999 5.574 -10.194 234 HB2 HIS 33 HB2 HIS 33 -10.680 5.011 -10.947 235 HB3 HIS 33 3HB HIS 33 -10.417 4.212 -9.400 236 HD1 HIS 33 HD1 HIS 33 -12.215 3.823 -12.653 237 HD2 HIS 33 HD2 HIS 33 -11.661 1.722 -9.111 238 HE1 HIS 33 HE1 HIS 33 -13.081 1.505 -13.103 239 H TYR 34 H TYR 34 -11.226 5.343 -7.152 240 HA TYR 34 HA TYR 34 -13.539 3.938 -6.002 241 HB2 TYR 34 HB2 TYR 34 -10.746 3.061 -6.112 242 HB3 TYR 34 3HB TYR 34 -11.425 3.033 -4.489 243 HD1 TYR 34 HD1 TYR 34 -14.050 2.107 -4.633 244 HD2 TYR 34 HD2 TYR 34 -10.796 1.008 -7.145 245 HE1 TYR 34 HE1 TYR 34 -15.164 -0.027 -5.133 246 HE2 TYR 34 HE2 TYR 34 -11.902 -1.129 -7.652 247 HH TYR 34 HH TYR 34 -15.073 -1.731 -7.113 248 H GLU 35 H GLU 35 -13.099 3.888 -3.440 249 HA GLU 35 HA GLU 35 -11.783 6.090 -2.275 250 HB2 GLU 35 HB2 GLU 35 -14.211 6.776 -3.518 251 HB3 GLU 35 HB3 GLU 35 -14.554 6.729 -1.794 252 HG2 GLU 35 HG2 GLU 35 -12.071 8.104 -2.381 253 HG3 GLU 35 HG3 GLU 35 -13.454 8.833 -3.195 254 H ASP 36 H ASP 36 -13.010 6.564 -0.003 255 HA ASP 36 HA ASP 36 -13.510 5.738 2.057 256 HB2 ASP 36 HB2 ASP 36 -15.264 4.419 0.264 257 HB3 ASP 36 3HB ASP 36 -14.694 3.208 1.408 258 H ALA 37 H ALA 37 -13.046 3.923 3.573 259 HA ALA 37 HA ALA 37 -10.859 2.209 2.594 260 HB1 ALA 37 HB1 ALA 37 -10.253 4.326 4.020 261 HB2 ALA 37 HB2 ALA 37 -10.748 3.297 5.366 262 HB3 ALA 37 HB3 ALA 37 -9.438 2.786 4.300 263 H ASP 38 H ASP 38 -10.287 0.733 4.740 264 HA ASP 38 HA ASP 38 -12.703 -0.245 6.001 265 HB2 ASP 38 HB2 ASP 38 -11.145 -1.945 4.045 266 HB3 ASP 38 3HB ASP 38 -12.339 -2.578 5.173 267 H VAL 39 H VAL 39 -12.277 -1.834 7.660 268 HA VAL 39 HA VAL 39 -9.496 -1.703 8.628 269 HB VAL 39 HB VAL 39 -10.358 -1.938 10.889 270 HG11 VAL 39 HG11 VAL 39 -10.704 0.296 9.223 271 HG12 VAL 39 HG12 VAL 39 -12.149 0.204 10.233 272 HG13 VAL 39 HG13 VAL 39 -10.552 0.272 10.980 273 HG21 VAL 39 HG21 VAL 39 -12.750 -1.917 11.358 274 HG22 VAL 39 HG22 VAL 39 -13.101 -1.921 9.630 275 HG23 VAL 39 HG23 VAL 39 -12.317 -3.315 10.375 276 H GLY 40 H GLY 40 -9.032 -3.567 10.235 277 HA2 GLY 40 HA1 GLY 40 -9.975 -6.071 8.982 278 HA3 GLY 40 HA2 GLY 40 -8.349 -5.843 9.609 279 H LYS 41 H LYS 41 -8.558 -7.668 10.949 280 HA LYS 41 HA LYS 41 -9.365 -7.156 13.575 281 HB2 LYS 41 HB2 LYS 41 -11.241 -8.908 13.651 282 HB3 LYS 41 HB3 LYS 41 -11.634 -7.318 13.009 283 HG2 LYS 41 HG2 LYS 41 -12.657 -8.887 11.580 284 HG3 LYS 41 HG3 LYS 41 -11.246 -8.274 10.712 285 HD2 LYS 41 HD2 LYS 41 -10.002 -10.249 11.177 286 HD3 LYS 41 HD3 LYS 41 -11.216 -10.818 12.325 287 HE2 LYS 41 HE2 LYS 41 -12.765 -11.281 10.609 288 HE3 LYS 41 HE3 LYS 41 -11.845 -10.359 9.422 289 HZ1 LYS 41 HZ1 LYS 41 -11.728 -12.976 9.554 290 HZ2 LYS 41 HZ2 LYS 41 -10.513 -12.633 10.679 291 HZ3 LYS 41 HZ3 LYS 41 -10.390 -12.047 9.097 292 H ASN 42 H ASN 42 -7.182 -8.296 12.092 293 HA ASN 42 HA ASN 42 -7.200 -11.114 12.879 294 HB2 ASN 42 HB2 ASN 42 -5.358 -9.471 11.146 295 HB3 ASN 42 3HB ASN 42 -4.944 -11.100 11.669 296 HD21 ASN 42 HD21 ASN 42 -5.114 -10.545 9.025 297 HD22 ASN 42 HD22 ASN 42 -6.505 -11.308 8.343 298 HA PRO 43 HA PRO 43 -4.772 -10.508 16.487 299 HB2 PRO 43 HB2 PRO 43 -3.365 -12.830 16.542 300 HB3 PRO 43 HB3 PRO 43 -5.090 -12.742 16.920 301 HG2 PRO 43 HG2 PRO 43 -3.748 -13.562 14.373 302 HG3 PRO 43 HG3 PRO 43 -5.131 -14.304 15.198 303 HD2 PRO 43 HD2 PRO 43 -5.417 -12.664 13.061 304 HD3 PRO 43 HD3 PRO 43 -6.620 -12.755 14.364 305 H ALA 44 H ALA 44 -2.881 -11.924 13.809 306 HA ALA 44 HA ALA 44 -0.363 -11.077 14.676 307 HB1 ALA 44 HB1 ALA 44 -0.731 -12.763 12.920 308 HB2 ALA 44 HB2 ALA 44 -1.268 -11.485 11.828 309 HB3 ALA 44 HB3 ALA 44 0.395 -11.502 12.417 310 H ALA 45 H ALA 45 -2.928 -9.337 13.142 311 HA ALA 45 HA ALA 45 -1.218 -7.119 12.366 312 HB1 ALA 45 HB1 ALA 45 -3.991 -7.941 11.843 313 HB2 ALA 45 HB2 ALA 45 -3.733 -6.200 11.976 314 HB3 ALA 45 HB3 ALA 45 -2.824 -7.139 10.791 315 H ALA 46 H ALA 46 -4.078 -7.522 14.464 316 HA ALA 46 HA ALA 46 -3.999 -5.017 15.669 317 HB1 ALA 46 HB1 ALA 46 -5.592 -7.243 15.876 318 HB2 ALA 46 HB2 ALA 46 -4.859 -7.134 17.477 319 HB3 ALA 46 HB3 ALA 46 -5.758 -5.764 16.824 320 H THR 47 H THR 47 -2.315 -7.997 16.520 321 HA THR 47 HA THR 47 -1.303 -7.247 19.008 322 HB THR 47 HB THR 47 -1.161 -9.544 18.037 323 HG1 THR 47 HG1 THR 47 0.788 -9.979 19.076 324 HG21 THR 47 HG21 THR 47 1.386 -8.807 16.687 325 HG22 THR 47 HG22 THR 47 -0.126 -8.472 15.842 326 HG23 THR 47 HG23 THR 47 0.262 -10.119 16.338 327 H MET 48 H MET 48 -0.409 -6.235 15.826 328 HA MET 48 HA MET 48 2.102 -5.072 16.762 329 HB2 MET 48 HB2 MET 48 0.886 -5.568 14.074 330 HB3 MET 48 HB3 MET 48 2.128 -4.334 14.239 331 HG2 MET 48 HG2 MET 48 3.143 -6.555 15.572 332 HG3 MET 48 HG3 MET 48 2.383 -7.197 14.118 333 HE1 MET 48 HE1 MET 48 4.129 -4.142 15.315 334 HE2 MET 48 HE2 MET 48 5.722 -4.894 15.227 335 HE3 MET 48 HE3 MET 48 5.252 -3.682 14.033 336 H ARG 49 H ARG 49 -0.765 -4.152 17.372 337 HA ARG 49 HA ARG 49 -1.736 -2.151 17.868 338 HB2 ARG 49 HB2 ARG 49 0.681 -0.759 16.730 339 HB3 ARG 49 HB3 ARG 49 -0.434 -0.175 17.958 340 HG2 ARG 49 HG2 ARG 49 0.408 -2.129 19.382 341 HG3 ARG 49 HG3 ARG 49 1.727 -2.233 18.214 342 HD2 ARG 49 HD2 ARG 49 2.758 -0.463 19.092 343 HD3 ARG 49 HD3 ARG 49 1.275 0.491 19.083 344 HE ARG 49 HE ARG 49 0.977 -1.215 21.192 345 HH11 ARG 49 HH11 ARG 49 3.367 1.130 20.238 346 HH12 ARG 49 HH12 ARG 49 3.819 1.523 21.864 347 HH21 ARG 49 HH21 ARG 49 1.563 -0.705 23.337 348 HH22 ARG 49 HH22 ARG 49 2.793 0.479 23.625 349 H ASN 50 H ASN 50 0.181 -1.224 15.015 350 HA ASN 50 HA ASN 50 -2.066 -1.372 13.245 351 HB2 ASN 50 HB2 ASN 50 -1.937 1.145 12.725 352 HB3 ASN 50 3HB ASN 50 -2.807 0.657 14.177 353 HD21 ASN 50 HD21 ASN 50 -2.343 1.730 15.949 354 HD22 ASN 50 HD22 ASN 50 -0.883 2.599 16.261 355 H VAL 51 H VAL 51 0.844 -2.098 13.573 356 HA VAL 51 HA VAL 51 2.274 -0.667 11.550 357 HB VAL 51 HB VAL 51 2.920 -3.387 12.692 358 HG11 VAL 51 HG11 VAL 51 5.088 -1.583 11.923 359 HG12 VAL 51 HG12 VAL 51 4.865 -3.300 11.583 360 HG13 VAL 51 HG13 VAL 51 4.069 -2.090 10.576 361 HG21 VAL 51 HG21 VAL 51 4.530 -1.359 13.830 362 HG22 VAL 51 HG22 VAL 51 2.851 -0.846 13.985 363 HG23 VAL 51 HG23 VAL 51 3.360 -2.404 14.636 364 H ALA 52 H ALA 52 0.843 -3.925 11.705 365 HA ALA 52 HA ALA 52 1.431 -4.639 9.046 366 HB1 ALA 52 HB1 ALA 52 -1.000 -5.847 10.102 367 HB2 ALA 52 HB2 ALA 52 0.517 -6.597 9.608 368 HB3 ALA 52 HB3 ALA 52 0.357 -5.917 11.227 369 H GLY 53 H GLY 53 -1.393 -3.091 10.514 370 HA2 GLY 53 HA1 GLY 53 -3.142 -3.156 8.357 371 HA3 GLY 53 HA2 GLY 53 -3.112 -1.893 9.577 372 H GLU 54 H GLU 54 -0.270 -1.264 8.784 373 HA GLU 54 HA GLU 54 -0.921 0.754 6.870 374 HB2 GLU 54 HB2 GLU 54 1.667 -0.114 8.148 375 HB3 GLU 54 HB3 GLU 54 1.592 1.176 6.956 376 HG2 GLU 54 HG2 GLU 54 0.579 2.627 8.377 377 HG3 GLU 54 HG3 GLU 54 -0.241 1.350 9.274 378 H ILE 55 H ILE 55 1.296 -2.037 6.776 379 HA ILE 55 HA ILE 55 1.855 -1.771 4.004 380 HB ILE 55 HB ILE 55 2.245 -4.078 5.908 381 HG12 ILE 55 HG12 ILE 55 4.496 -2.637 4.621 382 HG13 ILE 55 HG13 ILE 55 3.581 -1.741 5.827 383 HG21 ILE 55 HG21 ILE 55 2.993 -3.825 3.004 384 HG22 ILE 55 HG22 ILE 55 3.757 -4.976 4.100 385 HG23 ILE 55 HG23 ILE 55 2.027 -5.084 3.774 386 HD11 ILE 55 HD11 ILE 55 4.715 -2.749 7.429 387 HD12 ILE 55 HD12 ILE 55 4.124 -4.316 6.874 388 HD13 ILE 55 HD13 ILE 55 5.622 -3.656 6.218 389 H ALA 56 H ALA 56 -0.569 -3.492 5.843 390 HA ALA 56 HA ALA 56 -1.465 -5.389 4.077 391 HB1 ALA 56 HB1 ALA 56 -2.705 -5.570 5.941 392 HB2 ALA 56 HB2 ALA 56 -2.677 -3.834 6.253 393 HB3 ALA 56 HB3 ALA 56 -3.820 -4.502 5.088 394 H ALA 57 H ALA 57 -1.896 -1.921 3.928 395 HA ALA 57 HA ALA 57 -3.948 -1.859 1.987 396 HB1 ALA 57 HB1 ALA 57 -1.823 0.207 2.550 397 HB2 ALA 57 HB2 ALA 57 -3.325 0.472 1.664 398 HB3 ALA 57 HB3 ALA 57 -3.374 0.071 3.380 399 H ALA 58 H ALA 58 -0.409 -1.674 1.707 400 HA ALA 58 HA ALA 58 -0.178 -1.256 -1.015 401 HB1 ALA 58 HB1 ALA 58 1.906 -2.977 -0.449 402 HB2 ALA 58 HB2 ALA 58 1.922 -1.221 -0.272 403 HB3 ALA 58 HB3 ALA 58 1.533 -2.243 1.111 404 H LEU 59 H LEU 59 -0.971 -4.190 0.715 405 HA LEU 59 HA LEU 59 -0.510 -6.054 -1.331 406 HB2 LEU 59 HB2 LEU 59 -2.733 -6.297 0.667 407 HB3 LEU 59 3HB LEU 59 -1.766 -7.577 -0.062 408 HG LEU 59 HG LEU 59 -1.055 -5.719 2.179 409 HD11 LEU 59 HD11 LEU 59 -1.909 -7.671 3.052 410 HD12 LEU 59 HD12 LEU 59 -0.184 -8.034 2.994 411 HD13 LEU 59 HD13 LEU 59 -1.260 -8.666 1.748 412 HD21 LEU 59 HD21 LEU 59 1.232 -7.112 1.782 413 HD22 LEU 59 HD22 LEU 59 0.964 -5.460 1.222 414 HD23 LEU 59 HD23 LEU 59 0.730 -6.816 0.117 415 H TYR 60 H TYR 60 -3.701 -4.872 -0.258 416 HA TYR 60 HA TYR 60 -5.107 -5.769 -2.494 417 HB2 TYR 60 HB2 TYR 60 -5.844 -3.340 -0.858 418 HB3 TYR 60 3HB TYR 60 -6.928 -4.418 -1.731 419 HD1 TYR 60 HD1 TYR 60 -7.319 -6.724 -0.877 420 HD2 TYR 60 HD2 TYR 60 -5.112 -3.847 1.349 421 HE1 TYR 60 HE1 TYR 60 -7.620 -8.075 1.156 422 HE2 TYR 60 HE2 TYR 60 -5.406 -5.190 3.388 423 HH TYR 60 HH TYR 60 -7.598 -7.370 3.854 424 H ALA 61 H ALA 61 -3.254 -2.859 -1.975 425 HA ALA 61 HA ALA 61 -4.247 -1.271 -4.053 426 HB1 ALA 61 HB1 ALA 61 -1.395 -1.341 -3.081 427 HB2 ALA 61 HB2 ALA 61 -2.227 0.003 -3.864 428 HB3 ALA 61 HB3 ALA 61 -2.709 -0.512 -2.248 429 H VAL 62 H VAL 62 -1.750 -3.773 -4.044 430 HA VAL 62 HA VAL 62 -1.022 -3.365 -6.787 431 HB VAL 62 HB VAL 62 -0.447 -5.671 -4.922 432 HG11 VAL 62 HG11 VAL 62 0.684 -5.049 -7.649 433 HG12 VAL 62 HG12 VAL 62 1.292 -6.294 -6.555 434 HG13 VAL 62 HG13 VAL 62 -0.336 -6.423 -7.222 435 HG21 VAL 62 HG21 VAL 62 1.450 -3.533 -5.853 436 HG22 VAL 62 HG22 VAL 62 0.484 -3.367 -4.387 437 HG23 VAL 62 HG23 VAL 62 1.654 -4.679 -4.529 438 H LYS 63 H LYS 63 -2.971 -5.760 -5.036 439 HA LYS 63 HA LYS 63 -3.586 -7.469 -7.125 440 HB2 LYS 63 HB2 LYS 63 -5.399 -6.632 -4.854 441 HB3 LYS 63 HB3 LYS 63 -5.597 -8.071 -5.847 442 HG2 LYS 63 HG2 LYS 63 -3.462 -8.932 -5.014 443 HG3 LYS 63 HG3 LYS 63 -3.284 -7.495 -4.005 444 HD2 LYS 63 HD2 LYS 63 -4.437 -8.520 -2.406 445 HD3 LYS 63 HD3 LYS 63 -5.844 -8.543 -3.472 446 HE2 LYS 63 HE2 LYS 63 -5.165 -10.680 -4.377 447 HE3 LYS 63 HE3 LYS 63 -3.677 -10.641 -3.434 448 HZ1 LYS 63 HZ1 LYS 63 -4.751 -11.201 -1.541 449 HZ2 LYS 63 HZ2 LYS 63 -5.831 -11.919 -2.626 450 HZ3 LYS 63 HZ3 LYS 63 -6.183 -10.405 -1.962 451 H LYS 64 H LYS 64 -5.320 -4.539 -6.101 452 HA LYS 64 HA LYS 64 -7.209 -4.709 -8.253 453 HB2 LYS 64 HB2 LYS 64 -6.596 -2.353 -6.461 454 HB3 LYS 64 HB3 LYS 64 -8.037 -2.576 -7.444 455 HG2 LYS 64 HG2 LYS 64 -7.632 -4.805 -5.653 456 HG3 LYS 64 HG3 LYS 64 -7.708 -3.271 -4.781 457 HD2 LYS 64 HD2 LYS 64 -9.821 -2.744 -5.902 458 HD3 LYS 64 HD3 LYS 64 -9.744 -4.279 -6.769 459 HE2 LYS 64 HE2 LYS 64 -10.203 -5.519 -4.884 460 HE3 LYS 64 HE3 LYS 64 -9.593 -4.278 -3.790 461 HZ1 LYS 64 HZ1 LYS 64 -11.857 -3.401 -5.307 462 HZ2 LYS 64 HZ2 LYS 64 -11.596 -3.353 -3.638 463 HZ3 LYS 64 HZ3 LYS 64 -12.209 -4.756 -4.358 464 H ALA 65 H ALA 65 -4.148 -3.128 -7.703 465 HA ALA 65 HA ALA 65 -4.160 -1.137 -9.612 466 HB1 ALA 65 HB1 ALA 65 -1.627 -1.829 -9.814 467 HB2 ALA 65 HB2 ALA 65 -2.260 -1.091 -8.342 468 HB3 ALA 65 HB3 ALA 65 -2.029 -2.837 -8.423 469 H SER 66 H SER 66 -3.735 -4.600 -10.031 470 HA SER 66 HA SER 66 -2.907 -4.485 -12.749 471 HB2 SER 66 HB2 SER 66 -2.345 -6.493 -11.701 472 HB3 SER 66 3HB SER 66 -3.929 -6.657 -10.945 473 HG SER 66 HG SER 66 -3.656 -6.737 -13.748 474 H GLN 67 H GLN 67 -5.991 -4.466 -11.145 475 HA GLN 67 HA GLN 67 -7.547 -5.162 -13.438 476 HB2 GLN 67 HB2 GLN 67 -8.234 -3.921 -10.780 477 HB3 GLN 67 HB3 GLN 67 -9.441 -4.200 -12.026 478 HG2 GLN 67 HG2 GLN 67 -8.347 -6.641 -11.920 479 HG3 GLN 67 HG3 GLN 67 -8.056 -6.113 -10.264 480 HE21 GLN 67 HE21 GLN 67 -10.715 -5.676 -12.576 481 HE22 GLN 67 HE22 GLN 67 -11.955 -6.249 -11.519 482 H LEU 68 H LEU 68 -6.557 -2.135 -11.914 483 HA LEU 68 HA LEU 68 -8.019 -0.551 -13.853 484 HB2 LEU 68 HB2 LEU 68 -6.038 0.438 -11.819 485 HB3 LEU 68 3HB LEU 68 -7.318 1.349 -12.618 486 HG LEU 68 HG LEU 68 -8.618 -0.712 -11.240 487 HD11 LEU 68 HD11 LEU 68 -7.723 -0.939 -9.170 488 HD12 LEU 68 HD12 LEU 68 -6.978 0.659 -9.192 489 HD13 LEU 68 HD13 LEU 68 -6.228 -0.674 -10.069 490 HD21 LEU 68 HD21 LEU 68 -9.483 1.524 -11.597 491 HD22 LEU 68 HD22 LEU 68 -8.236 2.200 -10.550 492 HD23 LEU 68 HD23 LEU 68 -9.478 1.145 -9.874 493 H GLY 69 H GLY 69 -5.110 -2.156 -13.816 494 HA2 GLY 69 HA1 GLY 69 -3.199 -2.036 -15.087 495 HA3 GLY 69 HA2 GLY 69 -4.235 -1.275 -16.286 496 H VAL 70 H VAL 70 -3.500 0.044 -13.108 497 HA VAL 70 HA VAL 70 -2.183 2.311 -14.446 498 HB VAL 70 HB VAL 70 -2.759 3.660 -12.513 499 HG11 VAL 70 HG11 VAL 70 -4.645 2.446 -14.276 500 HG12 VAL 70 HG12 VAL 70 -5.418 2.735 -12.716 501 HG13 VAL 70 HG13 VAL 70 -4.658 4.069 -13.585 502 HG21 VAL 70 HG21 VAL 70 -2.839 2.532 -10.570 503 HG22 VAL 70 HG22 VAL 70 -4.539 2.299 -10.978 504 HG23 VAL 70 HG23 VAL 70 -3.364 1.036 -11.343 505 H LYS 71 H LYS 71 -1.866 -0.072 -11.900 506 HA LYS 71 HA LYS 71 -0.077 -0.795 -10.697 507 HB2 LYS 71 HB2 LYS 71 1.611 0.845 -12.590 508 HB3 LYS 71 HB3 LYS 71 2.137 -0.515 -11.607 509 HG2 LYS 71 HG2 LYS 71 1.773 -1.808 -13.367 510 HG3 LYS 71 HG3 LYS 71 0.047 -1.526 -13.131 511 HD2 LYS 71 HD2 LYS 71 0.078 0.329 -14.650 512 HD3 LYS 71 HD3 LYS 71 1.838 0.265 -14.766 513 HE2 LYS 71 HE2 LYS 71 1.803 -1.428 -16.249 514 HE3 LYS 71 HE3 LYS 71 0.464 -2.241 -15.439 515 HZ1 LYS 71 HZ1 LYS 71 0.373 -0.757 -17.779 516 HZ2 LYS 71 HZ2 LYS 71 -0.445 0.158 -16.615 517 HZ3 LYS 71 HZ3 LYS 71 -0.930 -1.430 -16.936 518 H ILE 72 H ILE 72 2.244 0.338 -9.844 519 HA ILE 72 HA ILE 72 1.582 2.989 -8.800 520 HB ILE 72 HB ILE 72 2.170 2.349 -6.508 521 HG12 ILE 72 HG12 ILE 72 2.446 -0.374 -7.757 522 HG13 ILE 72 HG13 ILE 72 3.590 0.485 -6.731 523 HG21 ILE 72 HG21 ILE 72 -0.210 2.081 -7.675 524 HG22 ILE 72 HG22 ILE 72 0.038 0.407 -7.179 525 HG23 ILE 72 HG23 ILE 72 0.062 1.696 -5.975 526 HD11 ILE 72 HD11 ILE 72 1.835 0.248 -4.893 527 HD12 ILE 72 HD12 ILE 72 1.080 -0.944 -5.952 528 HD13 ILE 72 HD13 ILE 72 2.727 -1.195 -5.374 529 H ARG 73 H ARG 73 3.549 3.635 -7.249 530 HA ARG 73 HA ARG 73 5.761 4.024 -8.879 531 HB2 ARG 73 HB2 ARG 73 5.004 5.106 -6.577 532 HB3 ARG 73 HB3 ARG 73 6.156 3.949 -5.924 533 HG2 ARG 73 HG2 ARG 73 6.956 5.751 -8.167 534 HG3 ARG 73 HG3 ARG 73 6.933 6.349 -6.507 535 HD2 ARG 73 HD2 ARG 73 8.488 4.651 -5.817 536 HD3 ARG 73 HD3 ARG 73 8.410 3.878 -7.400 537 HE ARG 73 HE ARG 73 9.930 6.224 -6.679 538 HH11 ARG 73 HH11 ARG 73 8.535 4.356 -9.265 539 HH12 ARG 73 HH12 ARG 73 9.609 4.983 -10.472 540 HH21 ARG 73 HH21 ARG 73 11.349 7.056 -8.258 541 HH22 ARG 73 HH22 ARG 73 11.209 6.518 -9.898 542 H ILE 74 H ILE 74 7.452 2.814 -9.437 543 HA ILE 74 HA ILE 74 7.790 0.214 -8.124 544 HB ILE 74 HB ILE 74 9.108 -0.428 -10.090 545 HG12 ILE 74 HG12 ILE 74 8.369 2.292 -11.193 546 HG13 ILE 74 HG13 ILE 74 9.967 1.858 -10.595 547 HG21 ILE 74 HG21 ILE 74 6.601 -0.655 -9.985 548 HG22 ILE 74 HG22 ILE 74 6.508 0.794 -10.985 549 HG23 ILE 74 HG23 ILE 74 7.298 -0.655 -11.605 550 HD11 ILE 74 HD11 ILE 74 10.416 1.327 -12.706 551 HD12 ILE 74 HD12 ILE 74 9.449 -0.119 -12.417 552 HD13 ILE 74 HD13 ILE 74 8.710 1.301 -13.155 553 H LEU 75 H LEU 75 9.893 -0.558 -7.583 554 HA LEU 75 HA LEU 75 11.979 -0.414 -6.689 555 HB2 LEU 75 HB2 LEU 75 12.310 2.207 -8.115 556 HB3 LEU 75 3HB LEU 75 13.559 1.061 -7.633 557 HG LEU 75 HG LEU 75 11.504 0.518 -9.772 558 HD11 LEU 75 HD11 LEU 75 13.217 0.994 -11.389 559 HD12 LEU 75 HD12 LEU 75 14.383 1.340 -10.113 560 HD13 LEU 75 HD13 LEU 75 12.999 2.405 -10.353 561 HD21 LEU 75 HD21 LEU 75 13.576 -1.053 -8.453 562 HD22 LEU 75 HD22 LEU 75 13.715 -1.050 -10.212 563 HD23 LEU 75 HD23 LEU 75 12.214 -1.575 -9.445 564 H HIS 76 H HIS 76 13.492 1.651 -5.724 565 HA HIS 76 HA HIS 76 12.412 2.200 -3.257 566 HB2 HIS 76 HB2 HIS 76 14.102 4.073 -3.142 567 HB3 HIS 76 3HB HIS 76 14.757 2.501 -3.589 568 HD1 HIS 76 HD1 HIS 76 14.258 5.951 -4.856 569 HD2 HIS 76 HD2 HIS 76 15.610 2.292 -6.287 570 HE1 HIS 76 HE1 HIS 76 15.406 6.464 -7.034 571 H ASP 77 H ASP 77 10.767 3.404 -2.606 572 HA ASP 77 HA ASP 77 9.896 5.640 -4.314 573 HB2 ASP 77 HB2 ASP 77 7.671 5.310 -3.524 574 HB3 ASP 77 3HB ASP 77 8.294 3.718 -3.947 575 H TYR 78 H TYR 78 11.840 5.331 -1.882 576 HA TYR 78 HA TYR 78 12.484 6.566 -0.081 577 HB2 TYR 78 HB2 TYR 78 10.880 8.633 -1.590 578 HB3 TYR 78 3HB TYR 78 11.863 9.008 -0.180 579 HD1 TYR 78 HD1 TYR 78 14.346 8.645 -0.295 580 HD2 TYR 78 HD2 TYR 78 11.853 8.398 -3.734 581 HE1 TYR 78 HE1 TYR 78 16.320 8.911 -1.738 582 HE2 TYR 78 HE2 TYR 78 13.820 8.662 -5.186 583 HH TYR 78 HH TYR 78 17.039 9.243 -3.833 584 H ALA 79 H ALA 79 9.922 5.055 0.027 585 HA ALA 79 HA ALA 79 8.572 6.586 2.151 586 HB1 ALA 79 HB1 ALA 79 7.254 5.921 0.081 587 HB2 ALA 79 HB2 ALA 79 7.366 4.264 0.677 588 HB3 ALA 79 HB3 ALA 79 6.554 5.496 1.643 589 H GLY 80 H GLY 80 7.183 4.616 3.411 590 HA2 GLY 80 HA1 GLY 80 9.194 3.437 5.054 591 HA3 GLY 80 HA2 GLY 80 7.460 3.180 5.189 592 H ILE 81 H ILE 81 7.713 2.420 2.167 593 HA ILE 81 HA ILE 81 7.898 -0.409 2.677 594 HB ILE 81 HB ILE 81 7.581 0.943 0.001 595 HG12 ILE 81 HG12 ILE 81 5.839 1.773 1.471 596 HG13 ILE 81 HG13 ILE 81 5.140 0.619 0.341 597 HG21 ILE 81 HG21 ILE 81 6.312 -1.649 0.597 598 HG22 ILE 81 HG22 ILE 81 7.120 -1.088 -0.866 599 HG23 ILE 81 HG23 ILE 81 8.074 -1.655 0.505 600 HD11 ILE 81 HD11 ILE 81 5.942 -0.811 2.644 601 HD12 ILE 81 HD12 ILE 81 5.046 0.614 3.170 602 HD13 ILE 81 HD13 ILE 81 4.312 -0.521 2.037 603 H ALA 82 H ALA 82 9.711 1.962 0.755 604 HA ALA 82 HA ALA 82 11.646 0.055 -0.142 605 HB1 ALA 82 HB1 ALA 82 11.371 1.861 -1.587 606 HB2 ALA 82 HB2 ALA 82 11.439 3.042 -0.279 607 HB3 ALA 82 HB3 ALA 82 12.905 2.203 -0.786 608 H PHE 83 H PHE 83 11.444 2.377 2.490 609 HA PHE 83 HA PHE 83 14.098 2.419 3.312 610 HB2 PHE 83 HB2 PHE 83 11.532 3.160 4.420 611 HB3 PHE 83 3HB PHE 83 12.568 2.471 5.665 612 HD1 PHE 83 HD1 PHE 83 14.798 3.488 6.105 613 HD2 PHE 83 HD2 PHE 83 11.922 5.316 3.554 614 HE1 PHE 83 HE1 PHE 83 15.991 5.631 6.302 615 HE2 PHE 83 HE2 PHE 83 13.111 7.462 3.747 616 HZ PHE 83 HZ PHE 83 15.148 7.622 5.121 617 H TRP 84 H TRP 84 11.494 0.213 4.308 618 HA TRP 84 HA TRP 84 13.287 -1.379 5.907 619 HB2 TRP 84 HB2 TRP 84 11.323 -1.825 6.889 620 HB3 TRP 84 3HB TRP 84 10.429 -1.147 5.532 621 HD1 TRP 84 HD1 TRP 84 12.137 -4.496 6.493 622 HE1 TRP 84 HE1 TRP 84 10.797 -6.407 5.405 623 HE3 TRP 84 HE3 TRP 84 8.728 -1.716 3.887 624 HZ2 TRP 84 HZ2 TRP 84 8.589 -6.697 3.672 625 HZ3 TRP 84 HZ3 TRP 84 7.036 -2.888 2.540 626 HH2 TRP 84 HH2 TRP 84 6.969 -5.326 2.435 627 H ALA 85 H ALA 85 11.972 -1.462 2.678 628 HA ALA 85 HA ALA 85 12.491 -4.164 2.072 629 HB1 ALA 85 HB1 ALA 85 12.379 -3.436 -0.288 630 HB2 ALA 85 HB2 ALA 85 11.029 -2.847 0.681 631 HB3 ALA 85 HB3 ALA 85 12.351 -1.760 0.259 632 H THR 86 H THR 86 14.598 -1.575 2.631 633 HA THR 86 HA THR 86 16.714 -2.182 0.873 634 HB THR 86 HB THR 86 18.140 -0.880 2.379 635 HG1 THR 86 HG1 THR 86 17.173 -0.066 4.334 636 HG21 THR 86 HG21 THR 86 17.240 0.999 1.576 637 HG22 THR 86 HG22 THR 86 15.827 0.839 2.620 638 HG23 THR 86 HG23 THR 86 15.861 0.032 1.053 639 H GLY 87 H GLY 87 15.621 -3.678 3.787 640 HA2 GLY 87 HA1 GLY 87 16.320 -5.580 4.870 641 HA3 GLY 87 HA2 GLY 87 17.323 -5.912 3.465 642 H GLU 88 H GLU 88 17.222 -3.745 6.294 643 HA GLU 88 HA GLU 88 20.152 -3.793 6.364 644 HB2 GLU 88 HB2 GLU 88 18.065 -1.939 7.413 645 HB3 GLU 88 HB3 GLU 88 19.597 -2.033 8.270 646 HG2 GLU 88 HG2 GLU 88 20.803 -1.214 6.462 647 HG3 GLU 88 HG3 GLU 88 19.520 -1.589 5.314 648 H TRP 89 H TRP 89 17.350 -4.924 8.036 649 HA TRP 89 HA TRP 89 19.087 -6.051 10.133 650 HB2 TRP 89 HB2 TRP 89 16.294 -4.937 10.361 651 HB3 TRP 89 3HB TRP 89 16.981 -6.009 11.577 652 HD1 TRP 89 HD1 TRP 89 18.399 -2.849 9.797 653 HE1 TRP 89 HE1 TRP 89 19.336 -1.284 11.612 654 HE3 TRP 89 HE3 TRP 89 17.252 -5.625 13.934 655 HZ2 TRP 89 HZ2 TRP 89 19.562 -1.233 14.426 656 HZ3 TRP 89 HZ3 TRP 89 17.862 -4.747 16.150 657 HH2 TRP 89 HH2 TRP 89 18.994 -2.597 16.388 658 H LYS 90 H LYS 90 18.330 -8.091 11.051 659 HA LYS 90 HA LYS 90 17.882 -10.065 9.199 660 HB2 LYS 90 HB2 LYS 90 17.725 -9.856 12.120 661 HB3 LYS 90 HB3 LYS 90 16.713 -11.128 11.448 662 HG2 LYS 90 HG2 LYS 90 18.470 -12.400 10.861 663 HG3 LYS 90 HG3 LYS 90 19.458 -11.012 10.397 664 HD2 LYS 90 HD2 LYS 90 18.849 -11.403 13.283 665 HD3 LYS 90 HD3 LYS 90 20.026 -12.479 12.528 666 HE2 LYS 90 HE2 LYS 90 20.660 -9.889 11.652 667 HE3 LYS 90 HE3 LYS 90 20.327 -9.750 13.377 668 HZ1 LYS 90 HZ1 LYS 90 22.277 -10.664 13.820 669 HZ2 LYS 90 HZ2 LYS 90 22.638 -10.696 12.169 670 HZ3 LYS 90 HZ3 LYS 90 21.906 -12.035 12.899 671 H ALA 91 H ALA 91 16.057 -11.384 8.687 672 HA ALA 91 HA ALA 91 13.670 -9.852 8.249 673 HB1 ALA 91 HB1 ALA 91 13.019 -11.517 6.807 674 HB2 ALA 91 HB2 ALA 91 14.772 -11.715 6.774 675 HB3 ALA 91 HB3 ALA 91 13.782 -12.791 7.760 676 H LYS 92 H LYS 92 14.786 -11.502 10.884 677 HA LYS 92 HA LYS 92 12.260 -12.647 11.724 678 HB2 LYS 92 HB2 LYS 92 14.483 -13.684 12.260 679 HB3 LYS 92 HB3 LYS 92 14.802 -12.321 13.324 680 HG2 LYS 92 HG2 LYS 92 12.245 -13.502 13.922 681 HG3 LYS 92 HG3 LYS 92 13.529 -14.713 13.969 682 HD2 LYS 92 HD2 LYS 92 14.728 -13.529 15.613 683 HD3 LYS 92 HD3 LYS 92 13.793 -12.055 15.349 684 HE2 LYS 92 HE2 LYS 92 12.191 -14.384 16.127 685 HE3 LYS 92 HE3 LYS 92 13.352 -13.862 17.346 686 HZ1 LYS 92 HZ1 LYS 92 12.097 -12.117 17.836 687 HZ2 LYS 92 HZ2 LYS 92 10.884 -12.765 16.851 688 HZ3 LYS 92 HZ3 LYS 92 11.980 -11.644 16.216 689 H ASN 93 H ASN 93 13.314 -9.590 11.526 690 HA ASN 93 HA ASN 93 12.963 -8.400 13.999 691 HB2 ASN 93 HB2 ASN 93 13.259 -7.529 11.345 692 HB3 ASN 93 3HB ASN 93 11.780 -6.770 11.925 693 HD21 ASN 93 HD21 ASN 93 15.197 -6.870 12.116 694 HD22 ASN 93 HD22 ASN 93 15.399 -5.554 13.218 695 H GLU 94 H GLU 94 10.464 -8.426 11.451 696 HA GLU 94 HA GLU 94 8.443 -8.842 13.543 697 HB2 GLU 94 HB2 GLU 94 8.038 -6.950 11.231 698 HB3 GLU 94 HB3 GLU 94 7.013 -7.163 12.644 699 HG2 GLU 94 HG2 GLU 94 9.768 -5.956 12.583 700 HG3 GLU 94 HG3 GLU 94 8.244 -5.108 12.833 701 H PHE 95 H PHE 95 6.203 -8.782 11.905 702 HA PHE 95 HA PHE 95 6.455 -11.349 10.602 703 HB2 PHE 95 HB2 PHE 95 4.197 -9.573 11.406 704 HB3 PHE 95 3HB PHE 95 3.910 -10.756 10.134 705 HD1 PHE 95 HD1 PHE 95 4.989 -10.365 13.648 706 HD2 PHE 95 HD2 PHE 95 3.582 -13.024 10.637 707 HE1 PHE 95 HE1 PHE 95 4.641 -12.105 15.352 708 HE2 PHE 95 HE2 PHE 95 3.232 -14.769 12.335 709 HZ PHE 95 HZ PHE 95 3.762 -14.311 14.696 710 H THR 96 H THR 96 7.350 -8.479 9.587 711 HA THR 96 HA THR 96 6.040 -7.871 7.230 712 HB THR 96 HB THR 96 8.785 -7.468 6.704 713 HG1 THR 96 HG1 THR 96 9.124 -6.271 8.839 714 HG21 THR 96 HG21 THR 96 6.411 -5.857 7.433 715 HG22 THR 96 HG22 THR 96 7.521 -5.691 6.072 716 HG23 THR 96 HG23 THR 96 7.980 -5.088 7.663 717 H GLN 97 H GLN 97 8.127 -10.533 7.942 718 HA GLN 97 HA GLN 97 9.175 -11.260 5.524 719 HB2 GLN 97 HB2 GLN 97 7.898 -13.164 7.492 720 HB3 GLN 97 HB3 GLN 97 9.128 -13.563 6.300 721 HG2 GLN 97 HG2 GLN 97 10.804 -12.741 7.552 722 HG3 GLN 97 HG3 GLN 97 9.830 -11.412 8.179 723 HE21 GLN 97 HE21 GLN 97 9.262 -14.898 8.287 724 HE22 GLN 97 HE22 GLN 97 9.232 -15.019 10.010 725 H ALA 98 H ALA 98 5.924 -12.069 6.725 726 HA ALA 98 HA ALA 98 5.044 -13.511 4.509 727 HB1 ALA 98 HB1 ALA 98 2.742 -12.397 5.359 728 HB2 ALA 98 HB2 ALA 98 3.527 -13.761 6.158 729 HB3 ALA 98 HB3 ALA 98 3.764 -12.124 6.771 730 H TYR 99 H TYR 99 4.786 -10.034 5.193 731 HA TYR 99 HA TYR 99 3.295 -9.260 2.990 732 HB2 TYR 99 HB2 TYR 99 5.405 -7.848 4.602 733 HB3 TYR 99 3HB TYR 99 4.624 -7.055 3.238 734 HD1 TYR 99 HD1 TYR 99 1.851 -8.007 3.497 735 HD2 TYR 99 HD2 TYR 99 4.601 -6.737 6.485 736 HE1 TYR 99 HE1 TYR 99 -0.029 -7.361 4.945 737 HE2 TYR 99 HE2 TYR 99 2.729 -6.090 7.941 738 HH TYR 99 HH TYR 99 -0.611 -6.775 7.056 739 H ALA 100 H ALA 100 6.789 -9.733 3.273 740 HA ALA 100 HA ALA 100 7.454 -8.819 0.683 741 HB1 ALA 100 HB1 ALA 100 9.235 -8.908 2.186 742 HB2 ALA 100 HB2 ALA 100 8.858 -10.559 2.681 743 HB3 ALA 100 HB3 ALA 100 9.545 -10.252 1.087 744 H LYS 101 H LYS 101 6.252 -11.849 1.894 745 HA LYS 101 HA LYS 101 6.963 -13.413 -0.391 746 HB2 LYS 101 HB2 LYS 101 4.782 -13.999 1.612 747 HB3 LYS 101 HB3 LYS 101 5.629 -15.151 0.591 748 HG2 LYS 101 HG2 LYS 101 7.689 -14.022 1.966 749 HG3 LYS 101 HG3 LYS 101 6.395 -13.998 3.166 750 HD2 LYS 101 HD2 LYS 101 6.194 -16.302 3.187 751 HD3 LYS 101 HD3 LYS 101 6.902 -16.482 1.580 752 HE2 LYS 101 HE2 LYS 101 9.042 -16.383 2.363 753 HE3 LYS 101 HE3 LYS 101 8.614 -15.343 3.721 754 HZ1 LYS 101 HZ1 LYS 101 8.026 -17.109 5.011 755 HZ2 LYS 101 HZ2 LYS 101 9.234 -17.843 4.082 756 HZ3 LYS 101 HZ3 LYS 101 7.605 -18.094 3.701 757 H LEU 102 H LEU 102 3.949 -11.895 0.725 758 HA LEU 102 HA LEU 102 2.270 -12.728 -1.319 759 HB2 LEU 102 HB2 LEU 102 2.244 -10.065 0.094 760 HB3 LEU 102 3HB LEU 102 0.899 -10.778 -0.793 761 HG LEU 102 HG LEU 102 2.098 -11.782 1.786 762 HD11 LEU 102 HD11 LEU 102 0.692 -9.835 2.080 763 HD12 LEU 102 HD12 LEU 102 -0.131 -11.272 2.686 764 HD13 LEU 102 HD13 LEU 102 -0.588 -10.585 1.128 765 HD21 LEU 102 HD21 LEU 102 1.302 -13.787 1.261 766 HD22 LEU 102 HD22 LEU 102 0.642 -13.177 -0.256 767 HD23 LEU 102 HD23 LEU 102 -0.317 -13.090 1.221 768 H MET 103 H MET 103 4.870 -10.484 -1.408 769 HA MET 103 HA MET 103 4.158 -8.788 -3.481 770 HB2 MET 103 HB2 MET 103 6.185 -8.437 -2.211 771 HB3 MET 103 HB3 MET 103 6.861 -9.951 -2.797 772 HG2 MET 103 HG2 MET 103 6.152 -8.344 -5.034 773 HG3 MET 103 HG3 MET 103 7.097 -7.371 -3.911 774 HE1 MET 103 HE1 MET 103 9.548 -7.789 -6.345 775 HE2 MET 103 HE2 MET 103 8.788 -6.844 -5.064 776 HE3 MET 103 HE3 MET 103 10.271 -7.742 -4.738 777 H ASN 104 H ASN 104 6.237 -11.663 -3.870 778 HA ASN 104 HA ASN 104 6.163 -11.780 -6.631 779 HB2 ASN 104 HB2 ASN 104 7.719 -13.124 -5.344 780 HB3 ASN 104 3HB ASN 104 6.394 -14.049 -4.644 781 HD21 ASN 104 HD21 ASN 104 5.154 -15.409 -6.051 782 HD22 ASN 104 HD22 ASN 104 5.881 -16.068 -7.473 783 H GLN 105 H GLN 105 3.823 -12.919 -4.292 784 HA GLN 105 HA GLN 105 2.301 -14.661 -5.780 785 HB2 GLN 105 HB2 GLN 105 2.015 -13.268 -3.354 786 HB3 GLN 105 HB3 GLN 105 0.569 -12.902 -4.288 787 HG2 GLN 105 HG2 GLN 105 1.549 -15.711 -3.918 788 HG3 GLN 105 HG3 GLN 105 0.501 -14.920 -2.742 789 HE21 GLN 105 HE21 GLN 105 -1.292 -13.595 -4.148 790 HE22 GLN 105 HE22 GLN 105 -2.196 -14.638 -5.187 791 H TYR 106 H TYR 106 1.990 -11.121 -5.640 792 HA TYR 106 HA TYR 106 0.478 -11.254 -8.167 793 HB2 TYR 106 HB2 TYR 106 -0.393 -8.927 -7.261 794 HB3 TYR 106 3HB TYR 106 -1.150 -10.436 -6.762 795 HD1 TYR 106 HD1 TYR 106 1.515 -8.043 -5.716 796 HD2 TYR 106 HD2 TYR 106 -1.410 -10.885 -4.500 797 HE1 TYR 106 HE1 TYR 106 1.952 -7.477 -3.363 798 HE2 TYR 106 HE2 TYR 106 -0.981 -10.326 -2.144 799 HH TYR 106 HH TYR 106 1.620 -8.144 -1.216 800 H ARG 107 H ARG 107 3.357 -11.030 -7.790 801 HA ARG 107 HA ARG 107 4.091 -8.299 -8.294 802 HB2 ARG 107 HB2 ARG 107 5.749 -9.565 -7.204 803 HB3 ARG 107 HB3 ARG 107 5.579 -10.911 -8.323 804 HG2 ARG 107 HG2 ARG 107 6.391 -8.433 -9.621 805 HG3 ARG 107 HG3 ARG 107 7.534 -8.998 -8.401 806 HD2 ARG 107 HD2 ARG 107 7.934 -10.992 -9.515 807 HD3 ARG 107 HD3 ARG 107 6.423 -10.903 -10.420 808 HE ARG 107 HE ARG 107 8.051 -8.749 -11.170 809 HH11 ARG 107 HH11 ARG 107 7.926 -12.217 -11.436 810 HH12 ARG 107 HH12 ARG 107 8.802 -12.265 -12.930 811 HH21 ARG 107 HH21 ARG 107 9.206 -8.797 -13.137 812 HH22 ARG 107 HH22 ARG 107 9.530 -10.319 -13.897 813 H GLY 108 H GLY 108 4.249 -7.279 -10.196 814 HA2 GLY 108 HA1 GLY 108 5.065 -8.120 -12.624 815 HA3 GLY 108 HA2 GLY 108 3.395 -8.667 -12.588 816 H ILE 109 H ILE 109 2.799 -6.241 -10.833 817 HA ILE 109 HA ILE 109 2.542 -4.346 -13.068 818 HB ILE 109 HB ILE 109 0.747 -3.309 -11.559 819 HG12 ILE 109 HG12 ILE 109 1.653 -4.923 -9.643 820 HG13 ILE 109 HG13 ILE 109 -0.034 -4.423 -9.714 821 HG21 ILE 109 HG21 ILE 109 -0.018 -4.351 -13.489 822 HG22 ILE 109 HG22 ILE 109 0.516 -5.944 -12.959 823 HG23 ILE 109 HG23 ILE 109 -0.892 -5.193 -12.210 824 HD11 ILE 109 HD11 ILE 109 0.350 -6.853 -9.280 825 HD12 ILE 109 HD12 ILE 109 -0.689 -6.496 -10.660 826 HD13 ILE 109 HD13 ILE 109 0.988 -6.978 -10.919 827 H TYR 110 H TYR 110 3.568 -4.689 -9.732 828 HA TYR 110 HA TYR 110 4.680 -1.963 -9.854 829 HB2 TYR 110 HB2 TYR 110 4.182 -1.589 -7.618 830 HB3 TYR 110 3HB TYR 110 2.784 -2.519 -8.147 831 HD1 TYR 110 HD1 TYR 110 2.775 -5.027 -7.675 832 HD2 TYR 110 HD2 TYR 110 5.507 -2.334 -5.834 833 HE1 TYR 110 HE1 TYR 110 3.195 -6.675 -5.898 834 HE2 TYR 110 HE2 TYR 110 5.935 -3.976 -4.053 835 HH TYR 110 HH TYR 110 4.724 -5.925 -3.017 836 H SER 111 H SER 111 6.472 -1.800 -8.022 837 HA SER 111 HA SER 111 8.090 -4.192 -7.798 838 HB2 SER 111 HB2 SER 111 9.648 -1.948 -8.912 839 HB3 SER 111 3HB SER 111 9.753 -3.676 -9.253 840 HG SER 111 HG SER 111 8.984 -2.658 -11.079 841 H PHE 112 H PHE 112 9.903 -3.927 -6.361 842 HA PHE 112 HA PHE 112 10.333 -1.469 -4.970 843 HB2 PHE 112 HB2 PHE 112 8.395 -3.399 -3.907 844 HB3 PHE 112 3HB PHE 112 9.649 -2.946 -2.757 845 HD1 PHE 112 HD1 PHE 112 10.082 -0.395 -2.500 846 HD2 PHE 112 HD2 PHE 112 6.528 -2.068 -4.141 847 HE1 PHE 112 HE1 PHE 112 8.877 1.692 -2.008 848 HE2 PHE 112 HE2 PHE 112 5.318 0.017 -3.653 849 HZ PHE 112 HZ PHE 112 6.491 1.900 -2.584 850 H GLU 113 H GLU 113 11.841 -1.810 -3.071 851 HA GLU 113 HA GLU 113 14.093 -3.240 -3.891 852 HB2 GLU 113 HB2 GLU 113 13.389 -1.511 -1.742 853 HB3 GLU 113 HB3 GLU 113 14.176 -2.927 -1.058 854 HG2 GLU 113 HG2 GLU 113 15.557 -1.896 -3.397 855 HG3 GLU 113 HG3 GLU 113 15.426 -0.712 -2.097 856 H LYS 114 H LYS 114 15.168 -4.741 -2.020 857 HA LYS 114 HA LYS 114 13.744 -7.200 -2.208 858 HB2 LYS 114 HB2 LYS 114 16.204 -7.082 -2.244 859 HB3 LYS 114 HB3 LYS 114 16.198 -6.511 -0.581 860 HG2 LYS 114 HG2 LYS 114 16.073 -8.577 0.213 861 HG3 LYS 114 HG3 LYS 114 14.718 -8.975 -0.846 862 HD2 LYS 114 HD2 LYS 114 17.391 -8.795 -2.106 863 HD3 LYS 114 HD3 LYS 114 17.110 -10.165 -1.027 864 HE2 LYS 114 HE2 LYS 114 15.193 -9.432 -3.223 865 HE3 LYS 114 HE3 LYS 114 16.575 -10.491 -3.501 866 HZ1 LYS 114 HZ1 LYS 114 15.286 -12.139 -2.809 867 HZ2 LYS 114 HZ2 LYS 114 14.070 -11.084 -2.292 868 HZ3 LYS 114 HZ3 LYS 114 15.345 -11.479 -1.253 869 H VAL 115 H VAL 115 11.758 -6.655 -1.130 870 HA VAL 115 HA VAL 115 11.609 -5.850 1.565 871 HB VAL 115 HB VAL 115 9.273 -6.848 1.460 872 HG11 VAL 115 HG11 VAL 115 8.566 -5.158 -0.350 873 HG12 VAL 115 HG12 VAL 115 9.407 -4.553 1.078 874 HG13 VAL 115 HG13 VAL 115 10.280 -4.759 -0.440 875 HG21 VAL 115 HG21 VAL 115 9.903 -8.534 -0.295 876 HG22 VAL 115 HG22 VAL 115 8.426 -7.628 -0.623 877 HG23 VAL 115 HG23 VAL 115 9.921 -7.209 -1.459 878 H LYS 116 H LYS 116 11.758 -6.936 3.431 879 HA LYS 116 HA LYS 116 11.534 -9.844 3.454 880 HB2 LYS 116 HB2 LYS 116 14.017 -8.300 4.097 881 HB3 LYS 116 HB3 LYS 116 13.671 -9.780 4.982 882 HG2 LYS 116 HG2 LYS 116 13.347 -10.166 2.141 883 HG3 LYS 116 HG3 LYS 116 14.955 -9.552 2.531 884 HD2 LYS 116 HD2 LYS 116 14.852 -11.389 4.406 885 HD3 LYS 116 HD3 LYS 116 13.647 -12.109 3.337 886 HE2 LYS 116 HE2 LYS 116 15.492 -11.653 1.512 887 HE3 LYS 116 HE3 LYS 116 16.565 -11.687 2.911 888 HZ1 LYS 116 HZ1 LYS 116 15.715 -13.882 3.461 889 HZ2 LYS 116 HZ2 LYS 116 16.366 -13.869 1.900 890 HZ3 LYS 116 HZ3 LYS 116 14.688 -13.848 2.117 891 H ALA 117 H ALA 117 12.917 -7.609 5.830 892 HA ALA 117 HA ALA 117 10.644 -7.150 7.368 893 HB1 ALA 117 HB1 ALA 117 11.351 -9.819 7.537 894 HB2 ALA 117 HB2 ALA 117 12.021 -9.107 9.004 895 HB3 ALA 117 HB3 ALA 117 10.303 -8.940 8.648 896 H HIS 118 H HIS 118 11.210 -5.383 8.438 897 HA HIS 118 HA HIS 118 13.706 -5.320 9.934 898 HB2 HIS 118 HB2 HIS 118 14.391 -4.380 7.813 899 HB3 HIS 118 3HB HIS 118 13.007 -3.293 7.802 900 HD1 HIS 118 HD1 HIS 118 14.804 -1.352 7.574 901 HD2 HIS 118 HD2 HIS 118 14.850 -3.427 11.174 902 HE1 HIS 118 HE1 HIS 118 16.134 0.080 9.159 903 H SER 119 H SER 119 11.525 -2.715 8.918 904 HA SER 119 HA SER 119 9.885 -2.640 11.167 905 HB2 SER 119 HB2 SER 119 10.966 -0.612 12.305 906 HB3 SER 119 3HB SER 119 11.725 -2.180 12.583 907 HG SER 119 HG SER 119 12.697 0.040 11.301 908 H GLY 120 H GLY 120 9.254 -0.095 11.563 909 HA2 GLY 120 HA1 GLY 120 9.407 1.758 9.528 910 HA3 GLY 120 HA2 GLY 120 8.092 0.684 9.074 911 H ASN 121 H ASN 121 8.359 3.588 10.075 912 HA ASN 121 HA ASN 121 5.951 3.508 11.674 913 HB2 ASN 121 HB2 ASN 121 7.436 5.294 13.172 914 HB3 ASN 121 3HB ASN 121 7.024 3.648 13.644 915 HD21 ASN 121 HD21 ASN 121 9.505 5.814 12.883 916 HD22 ASN 121 HD22 ASN 121 10.823 4.697 12.917 917 H GLU 122 H GLU 122 8.475 5.983 11.308 918 HA GLU 122 HA GLU 122 6.498 7.881 10.384 919 HB2 GLU 122 HB2 GLU 122 8.176 8.648 11.955 920 HB3 GLU 122 HB3 GLU 122 9.468 8.144 10.874 921 HG2 GLU 122 HG2 GLU 122 9.134 9.901 9.430 922 HG3 GLU 122 HG3 GLU 122 7.460 10.133 9.930 923 H PHE 123 H PHE 123 9.104 5.974 9.057 924 HA PHE 123 HA PHE 123 9.619 7.251 6.672 925 HB2 PHE 123 HB2 PHE 123 9.371 4.255 6.990 926 HB3 PHE 123 3HB PHE 123 10.350 5.120 5.809 927 HD1 PHE 123 HD1 PHE 123 12.329 6.425 6.584 928 HD2 PHE 123 HD2 PHE 123 10.177 3.802 9.153 929 HE1 PHE 123 HE1 PHE 123 14.238 6.383 8.136 930 HE2 PHE 123 HE2 PHE 123 12.082 3.757 10.710 931 HZ PHE 123 HZ PHE 123 14.117 5.047 10.201 932 H ASN 124 H ASN 124 6.878 5.233 7.539 933 HA ASN 124 HA ASN 124 5.814 5.115 4.879 934 HB2 ASN 124 HB2 ASN 124 4.082 4.677 7.272 935 HB3 ASN 124 3HB ASN 124 4.151 3.780 5.757 936 HD21 ASN 124 HD21 ASN 124 5.712 4.305 8.843 937 HD22 ASN 124 HD22 ASN 124 6.573 2.808 8.878 938 H ASP 125 H ASP 125 5.143 7.019 7.784 939 HA ASP 125 HA ASP 125 2.868 8.364 6.992 940 HB2 ASP 125 HB2 ASP 125 5.206 9.376 8.621 941 HB3 ASP 125 3HB ASP 125 3.666 10.220 8.479 942 H TYR 126 H TYR 126 6.094 8.681 5.806 943 HA TYR 126 HA TYR 126 6.159 11.252 4.811 944 HB2 TYR 126 HB2 TYR 126 8.151 10.076 4.560 945 HB3 TYR 126 3HB TYR 126 7.352 8.667 3.872 946 HD1 TYR 126 HD1 TYR 126 6.643 8.679 1.504 947 HD2 TYR 126 HD2 TYR 126 8.873 11.893 3.178 948 HE1 TYR 126 HE1 TYR 126 7.203 9.461 -0.759 949 HE2 TYR 126 HE2 TYR 126 9.438 12.684 0.920 950 HH TYR 126 HH TYR 126 8.754 12.516 -1.315 951 H VAL 127 H VAL 127 4.493 8.435 3.546 952 HA VAL 127 HA VAL 127 3.867 9.329 0.988 953 HB VAL 127 HB VAL 127 1.907 7.822 1.097 954 HG11 VAL 127 HG11 VAL 127 3.998 6.843 0.498 955 HG12 VAL 127 HG12 VAL 127 4.513 6.770 2.184 956 HG13 VAL 127 HG13 VAL 127 3.198 5.740 1.617 957 HG21 VAL 127 HG21 VAL 127 2.331 6.541 3.571 958 HG22 VAL 127 HG22 VAL 127 2.209 8.268 3.907 959 HG23 VAL 127 HG23 VAL 127 0.909 7.444 3.047 960 H ASP 128 H ASP 128 2.663 10.355 4.053 961 HA ASP 128 HA ASP 128 0.156 11.359 3.389 962 HB2 ASP 128 HB2 ASP 128 1.379 11.234 5.683 963 HB3 ASP 128 3HB ASP 128 1.978 12.837 5.263 964 H MET 129 H MET 129 3.298 13.037 3.321 965 HA MET 129 HA MET 129 2.221 15.415 2.171 966 HB2 MET 129 HB2 MET 129 4.635 14.671 3.353 967 HB3 MET 129 HB3 MET 129 5.058 15.040 1.686 968 HG2 MET 129 HG2 MET 129 4.561 17.244 1.897 969 HG3 MET 129 HG3 MET 129 3.315 16.962 3.110 970 HE1 MET 129 HE1 MET 129 7.062 16.322 2.512 971 HE2 MET 129 HE2 MET 129 7.793 16.585 4.095 972 HE3 MET 129 HE3 MET 129 6.785 15.166 3.814 973 H LYS 130 H LYS 130 4.160 12.732 0.869 974 HA LYS 130 HA LYS 130 4.390 13.612 -1.752 975 HB2 LYS 130 HB2 LYS 130 5.217 11.412 -0.415 976 HB3 LYS 130 HB3 LYS 130 3.926 10.712 -1.382 977 HG2 LYS 130 HG2 LYS 130 6.261 12.280 -2.458 978 HG3 LYS 130 HG3 LYS 130 6.102 10.523 -2.478 979 HD2 LYS 130 HD2 LYS 130 5.212 10.830 -4.515 980 HD3 LYS 130 HD3 LYS 130 3.758 11.313 -3.635 981 HE2 LYS 130 HE2 LYS 130 3.911 13.237 -4.758 982 HE3 LYS 130 HE3 LYS 130 5.247 13.622 -3.675 983 HZ1 LYS 130 HZ1 LYS 130 5.407 13.518 -6.368 984 HZ2 LYS 130 HZ2 LYS 130 6.012 12.002 -5.926 985 HZ3 LYS 130 HZ3 LYS 130 6.726 13.408 -5.314 986 H ALA 131 H ALA 131 1.722 11.972 -0.155 987 HA ALA 131 HA ALA 131 0.223 11.503 -2.542 988 HB1 ALA 131 HB1 ALA 131 -0.413 11.366 0.384 989 HB2 ALA 131 HB2 ALA 131 -1.673 11.174 -0.836 990 HB3 ALA 131 HB3 ALA 131 -0.309 10.057 -0.795 991 H LYS 132 H LYS 132 0.398 14.085 -0.175 992 HA LYS 132 HA LYS 132 -1.933 15.472 -0.682 993 HB2 LYS 132 HB2 LYS 132 0.551 15.991 0.606 994 HB3 LYS 132 HB3 LYS 132 0.185 17.371 -0.423 995 HG2 LYS 132 HG2 LYS 132 -2.213 16.996 0.749 996 HG3 LYS 132 HG3 LYS 132 -1.136 16.431 2.029 997 HD2 LYS 132 HD2 LYS 132 0.154 18.580 1.724 998 HD3 LYS 132 HD3 LYS 132 -1.167 19.130 0.691 999 HE2 LYS 132 HE2 LYS 132 -2.711 19.080 2.473 1000 HE3 LYS 132 HE3 LYS 132 -1.626 18.136 3.490 1001 HZ1 LYS 132 HZ1 LYS 132 -0.942 20.867 2.585 1002 HZ2 LYS 132 HZ2 LYS 132 -0.253 19.979 3.849 1003 HZ3 LYS 132 HZ3 LYS 132 -1.824 20.589 4.001 1004 H SER 133 H SER 133 0.984 15.282 -2.603 1005 HA SER 133 HA SER 133 0.252 17.422 -4.373 1006 HB2 SER 133 HB2 SER 133 2.621 16.728 -3.932 1007 HB3 SER 133 3HB SER 133 2.303 15.242 -4.826 1008 HG SER 133 HG SER 133 2.243 17.902 -5.798 1009 H ALA 134 H ALA 134 -0.147 13.949 -4.288 1010 HA ALA 134 HA ALA 134 -0.790 13.449 -6.953 1011 HB1 ALA 134 HB1 ALA 134 -1.016 11.384 -6.178 1012 HB2 ALA 134 HB2 ALA 134 -0.815 12.011 -4.542 1013 HB3 ALA 134 HB3 ALA 134 -2.429 11.850 -5.231 1014 H LEU 135 H LEU 135 -2.698 14.843 -4.373 1015 HA LEU 135 HA LEU 135 -5.179 14.681 -5.830 1016 HB2 LEU 135 HB2 LEU 135 -4.795 16.518 -3.518 1017 HB3 LEU 135 3HB LEU 135 -6.195 15.542 -3.957 1018 HG LEU 135 HG LEU 135 -3.655 14.591 -2.639 1019 HD11 LEU 135 HD11 LEU 135 -4.960 14.212 -0.728 1020 HD12 LEU 135 HD12 LEU 135 -6.471 14.412 -1.614 1021 HD13 LEU 135 HD13 LEU 135 -5.444 15.809 -1.298 1022 HD21 LEU 135 HD21 LEU 135 -5.963 13.082 -3.824 1023 HD22 LEU 135 HD22 LEU 135 -4.982 12.408 -2.521 1024 HD23 LEU 135 HD23 LEU 135 -4.233 12.826 -4.063 1025 H GLY 136 H GLY 136 -3.320 17.466 -4.580 1026 HA2 GLY 136 HA1 GLY 136 -2.689 19.031 -6.530 1027 HA3 GLY 136 HA2 GLY 136 -4.427 19.070 -6.785 1028 H ILE 137 H ILE 137 -2.746 19.033 -3.681 1029 HA ILE 137 HA ILE 137 -4.295 21.146 -2.634 1030 HB ILE 137 HB ILE 137 -1.624 20.177 -1.612 1031 HG12 ILE 137 HG12 ILE 137 -3.258 18.331 -1.925 1032 HG13 ILE 137 HG13 ILE 137 -2.864 18.610 -0.232 1033 HG21 ILE 137 HG21 ILE 137 -2.209 22.211 -0.543 1034 HG22 ILE 137 HG22 ILE 137 -3.885 21.703 -0.342 1035 HG23 ILE 137 HG23 ILE 137 -2.607 20.916 0.585 1036 HD11 ILE 137 HD11 ILE 137 -5.121 20.197 -0.886 1037 HD12 ILE 137 HD12 ILE 137 -5.402 18.554 -1.466 1038 HD13 ILE 137 HD13 ILE 137 -5.009 18.836 0.230 1039 H ARG 138 H ARG 138 -1.297 21.067 -4.387 1040 HA ARG 138 HA ARG 138 0.013 22.712 -5.256 1041 HB2 ARG 138 HB2 ARG 138 -1.511 24.043 -6.246 1042 HB3 ARG 138 HB3 ARG 138 -2.589 23.995 -4.857 1043 HG2 ARG 138 HG2 ARG 138 -1.482 25.782 -3.803 1044 HG3 ARG 138 HG3 ARG 138 -0.100 25.670 -4.894 1045 HD2 ARG 138 HD2 ARG 138 -2.897 26.437 -5.719 1046 HD3 ARG 138 HD3 ARG 138 -1.593 27.579 -5.399 1047 HE ARG 138 HE ARG 138 -0.674 25.771 -7.303 1048 HH11 ARG 138 HH11 ARG 138 -3.123 28.227 -7.001 1049 HH12 ARG 138 HH12 ARG 138 -3.115 28.627 -8.686 1050 HH21 ARG 138 HH21 ARG 138 -0.654 26.289 -9.525 1051 HH22 ARG 138 HH22 ARG 138 -1.711 27.523 -10.121 1052 H ASP 139 H ASP 139 1.831 23.283 -4.284 1053 HA ASP 139 HA ASP 139 2.051 25.284 -2.342 1054 HB2 ASP 139 HB2 ASP 139 1.169 22.916 -1.197 1055 HB3 ASP 139 3HB ASP 139 2.906 22.898 -0.896 1056 H LEU 140 H LEU 140 4.335 24.897 -1.102 1057 HA LEU 140 HA LEU 140 6.291 23.545 -2.725 1058 HB2 LEU 140 HB2 LEU 140 7.401 25.338 -3.644 1059 HB3 LEU 140 3HB LEU 140 5.715 25.817 -3.824 1060 HG LEU 140 HG LEU 140 7.695 26.840 -1.794 1061 HD11 LEU 140 HD11 LEU 140 6.173 28.596 -3.624 1062 HD12 LEU 140 HD12 LEU 140 7.460 27.621 -4.332 1063 HD13 LEU 140 HD13 LEU 140 7.824 28.740 -3.018 1064 HD21 LEU 140 HD21 LEU 140 5.450 26.539 -0.809 1065 HD22 LEU 140 HD22 LEU 140 4.778 27.550 -2.090 1066 HD23 LEU 140 HD23 LEU 140 5.923 28.234 -0.934 1067 H GLU 141 H GLU 141 8.597 24.341 -1.917 1068 HA GLU 141 HA GLU 141 8.884 25.365 0.677 1069 HB2 GLU 141 HB2 GLU 141 8.015 22.635 0.585 1070 HB3 GLU 141 HB3 GLU 141 9.650 22.695 1.227 1071 HG2 GLU 141 HG2 GLU 141 8.497 24.702 2.617 1072 HG3 GLU 141 HG3 GLU 141 7.121 23.624 2.393 1073 H HIS 142 H HIS 142 11.099 24.290 1.648 1074 HA HIS 142 HA HIS 142 13.020 23.570 -0.346 1075 HB2 HIS 142 HB2 HIS 142 12.743 26.031 -0.740 1076 HB3 HIS 142 3HB HIS 142 13.320 26.309 0.900 1077 HD1 HIS 142 HD1 HIS 142 14.472 25.698 -2.530 1078 HD2 HIS 142 HD2 HIS 142 16.080 25.556 1.298 1079 HE1 HIS 142 HE1 HIS 142 16.966 25.661 -2.850 1080 H HIS 143 H HIS 143 13.162 21.877 1.253 1081 HA HIS 143 HA HIS 143 15.356 22.130 2.963 1082 HB2 HIS 143 HB2 HIS 143 12.896 23.044 4.119 1083 HB3 HIS 143 3HB HIS 143 13.416 21.583 4.954 1084 HD1 HIS 143 HD1 HIS 143 15.903 21.685 5.977 1085 HD2 HIS 143 HD2 HIS 143 14.231 25.313 4.836 1086 HE1 HIS 143 HE1 HIS 143 17.285 23.449 7.117 1087 H HIS 144 H HIS 144 16.164 20.160 2.727 1088 HA HIS 144 HA HIS 144 14.963 17.844 3.724 1089 HB2 HIS 144 HB2 HIS 144 13.887 18.528 1.247 1090 HB3 HIS 144 3HB HIS 144 15.070 17.277 0.874 1091 HD1 HIS 144 HD1 HIS 144 11.734 17.281 1.077 1092 HD2 HIS 144 HD2 HIS 144 14.537 15.282 3.403 1093 HE1 HIS 144 HE1 HIS 144 10.508 15.327 2.077 1094 H HIS 145 H HIS 145 16.870 17.184 4.526 1095 HA HIS 145 HA HIS 145 18.732 15.851 2.928 1096 HB2 HIS 145 HB2 HIS 145 20.702 17.421 3.345 1097 HB3 HIS 145 3HB HIS 145 19.558 17.905 2.096 1098 HD1 HIS 145 HD1 HIS 145 20.754 18.829 5.520 1099 HD2 HIS 145 HD2 HIS 145 18.110 20.230 2.637 1100 HE1 HIS 145 HE1 HIS 145 20.111 21.144 6.265 1101 H HIS 146 H HIS 146 17.712 14.755 4.951 1102 HA HIS 146 HA HIS 146 19.488 15.159 7.264 1103 HB2 HIS 146 HB2 HIS 146 16.806 15.232 7.316 1104 HB3 HIS 146 3HB HIS 146 17.039 13.500 7.536 1105 HD1 HIS 146 HD1 HIS 146 16.880 16.584 9.388 1106 HD2 HIS 146 HD2 HIS 146 18.842 12.950 9.836 1107 HE1 HIS 146 HE1 HIS 146 17.560 16.482 11.806 1108 H HIS 147 H HIS 147 20.820 13.567 7.887 1109 HA HIS 147 HA HIS 147 20.336 10.809 7.292 1110 HB2 HIS 147 HB2 HIS 147 22.022 12.409 5.501 1111 HB3 HIS 147 3HB HIS 147 22.811 10.958 6.109 1112 HD1 HIS 147 HD1 HIS 147 21.236 11.877 3.221 1113 HD2 HIS 147 HD2 HIS 147 20.519 8.759 5.871 1114 HE1 HIS 147 HE1 HIS 147 19.969 10.151 1.901 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -9.482 1.538 -18.369 2 HA MET 1 HA MET 1 -7.419 1.171 -17.461 3 HB2 MET 1 HB2 MET 1 -6.874 0.015 -20.201 4 HB3 MET 1 HB3 MET 1 -6.006 -0.365 -18.719 5 HG2 MET 1 HG2 MET 1 -7.442 -1.976 -18.265 6 HG3 MET 1 HG3 MET 1 -8.772 -0.821 -18.274 7 HE1 MET 1 HE1 MET 1 -8.465 -3.768 -18.791 8 HE2 MET 1 HE2 MET 1 -9.778 -3.997 -19.946 9 HE3 MET 1 HE3 MET 1 -8.110 -4.303 -20.433 10 H ASP 2 H ASP 2 -7.061 3.526 -17.466 11 HA ASP 2 HA ASP 2 -4.499 4.153 -18.515 12 HB2 ASP 2 HB2 ASP 2 -5.534 4.570 -20.603 13 HB3 ASP 2 3HB ASP 2 -6.910 5.371 -19.850 14 H ASP 3 H ASP 3 -3.559 5.627 -17.238 15 HA ASP 3 HA ASP 3 -5.255 7.474 -15.714 16 HB2 ASP 3 HB2 ASP 3 -4.228 6.961 -13.642 17 HB3 ASP 3 3HB ASP 3 -4.632 5.405 -14.364 18 H ARG 4 H ARG 4 -3.343 8.715 -14.210 19 HA ARG 4 HA ARG 4 -1.160 9.511 -15.955 20 HB2 ARG 4 HB2 ARG 4 -1.737 11.802 -16.102 21 HB3 ARG 4 HB3 ARG 4 -3.188 10.913 -16.548 22 HG2 ARG 4 HG2 ARG 4 -3.903 11.194 -14.118 23 HG3 ARG 4 HG3 ARG 4 -2.611 12.391 -14.006 24 HD2 ARG 4 HD2 ARG 4 -3.616 13.670 -15.813 25 HD3 ARG 4 HD3 ARG 4 -4.880 12.455 -15.991 26 HE ARG 4 HE ARG 4 -5.137 13.193 -13.417 27 HH11 ARG 4 HH11 ARG 4 -4.925 15.009 -16.378 28 HH12 ARG 4 HH12 ARG 4 -5.899 16.320 -15.797 29 HH21 ARG 4 HH21 ARG 4 -6.421 14.911 -12.640 30 HH22 ARG 4 HH22 ARG 4 -6.748 16.263 -13.670 31 H THR 5 H THR 5 -1.784 8.354 -13.192 32 HA THR 5 HA THR 5 -0.733 10.309 -11.356 33 HB THR 5 HB THR 5 -0.735 8.424 -9.720 34 HG1 THR 5 HG1 THR 5 -1.904 6.495 -10.563 35 HG21 THR 5 HG21 THR 5 -2.707 9.696 -9.723 36 HG22 THR 5 HG22 THR 5 -3.267 8.030 -9.873 37 HG23 THR 5 HG23 THR 5 -3.211 9.073 -11.293 38 H GLU 6 H GLU 6 1.075 9.302 -9.806 39 HA GLU 6 HA GLU 6 3.109 7.729 -10.954 40 HB2 GLU 6 HB2 GLU 6 3.170 9.955 -12.303 41 HB3 GLU 6 HB3 GLU 6 3.920 10.617 -10.858 42 HG2 GLU 6 HG2 GLU 6 5.868 9.569 -11.226 43 HG3 GLU 6 HG3 GLU 6 5.089 8.104 -11.822 44 H TYR 7 H TYR 7 2.701 10.598 -8.882 45 HA TYR 7 HA TYR 7 4.710 10.114 -7.056 46 HB2 TYR 7 HB2 TYR 7 1.990 11.362 -6.655 47 HB3 TYR 7 3HB TYR 7 3.242 11.365 -5.419 48 HD1 TYR 7 HD1 TYR 7 5.655 11.872 -7.052 49 HD2 TYR 7 HD2 TYR 7 1.774 13.605 -7.261 50 HE1 TYR 7 HE1 TYR 7 6.623 13.907 -8.038 51 HE2 TYR 7 HE2 TYR 7 2.731 15.644 -8.248 52 HH TYR 7 HH TYR 7 4.768 16.289 -9.530 53 H ASP 8 H ASP 8 4.488 9.395 -4.773 54 HA ASP 8 HA ASP 8 3.832 6.724 -4.572 55 HB2 ASP 8 HB2 ASP 8 5.283 7.732 -2.944 56 HB3 ASP 8 3HB ASP 8 4.013 8.830 -2.413 57 H VAL 9 H VAL 9 2.151 5.614 -3.420 58 HA VAL 9 HA VAL 9 -0.455 6.832 -3.876 59 HB VAL 9 HB VAL 9 0.348 4.015 -3.152 60 HG11 VAL 9 HG11 VAL 9 -2.398 5.188 -3.559 61 HG12 VAL 9 HG12 VAL 9 -2.049 3.459 -3.537 62 HG13 VAL 9 HG13 VAL 9 -1.763 4.434 -2.096 63 HG21 VAL 9 HG21 VAL 9 0.754 4.892 -5.489 64 HG22 VAL 9 HG22 VAL 9 -0.243 3.442 -5.370 65 HG23 VAL 9 HG23 VAL 9 -0.998 5.011 -5.651 66 H TYR 10 H TYR 10 -1.994 7.182 -2.310 67 HA TYR 10 HA TYR 10 -1.047 7.744 0.313 68 HB2 TYR 10 HB2 TYR 10 -2.793 9.111 -0.650 69 HB3 TYR 10 3HB TYR 10 -3.844 7.711 -0.837 70 HD1 TYR 10 HD1 TYR 10 -1.929 9.410 1.894 71 HD2 TYR 10 HD2 TYR 10 -5.537 7.494 0.706 72 HE1 TYR 10 HE1 TYR 10 -2.882 9.839 4.121 73 HE2 TYR 10 HE2 TYR 10 -6.501 7.919 2.929 74 HH TYR 10 HH TYR 10 -5.622 8.320 5.269 75 H THR 11 H THR 11 -0.245 5.604 0.867 76 HA THR 11 HA THR 11 -2.382 3.921 1.991 77 HB THR 11 HB THR 11 -0.939 1.922 1.534 78 HG1 THR 11 HG1 THR 11 0.553 2.443 -0.364 79 HG21 THR 11 HG21 THR 11 -2.641 3.349 -0.226 80 HG22 THR 11 HG22 THR 11 -2.306 1.617 -0.197 81 HG23 THR 11 HG23 THR 11 -1.319 2.690 -1.188 82 H ASP 12 H ASP 12 -1.237 2.216 3.529 83 HA ASP 12 HA ASP 12 -0.245 1.905 5.554 84 HB2 ASP 12 HB2 ASP 12 1.954 3.793 4.813 85 HB3 ASP 12 3HB ASP 12 2.044 2.245 5.650 86 H GLY 13 H GLY 13 -1.699 2.892 6.911 87 HA2 GLY 13 HA1 GLY 13 -0.891 4.923 8.573 88 HA3 GLY 13 HA2 GLY 13 -1.777 5.730 7.287 89 H SER 14 H SER 14 -3.278 6.409 8.925 90 HA SER 14 HA SER 14 -5.303 6.298 9.959 91 HB2 SER 14 HB2 SER 14 -6.902 4.984 8.993 92 HB3 SER 14 3HB SER 14 -5.640 4.749 7.784 93 HG SER 14 HG SER 14 -5.259 2.767 8.536 94 H TYR 15 H TYR 15 -6.240 5.507 11.866 95 HA TYR 15 HA TYR 15 -5.616 3.094 13.127 96 HB2 TYR 15 HB2 TYR 15 -4.106 4.038 14.944 97 HB3 TYR 15 3HB TYR 15 -3.359 3.775 13.372 98 HD1 TYR 15 HD1 TYR 15 -2.684 5.656 11.984 99 HD2 TYR 15 HD2 TYR 15 -4.464 6.281 15.798 100 HE1 TYR 15 HE1 TYR 15 -1.934 7.999 11.944 101 HE2 TYR 15 HE2 TYR 15 -3.720 8.626 15.767 102 HH TYR 15 HH TYR 15 -1.469 9.810 13.492 103 H VAL 16 H VAL 16 -6.913 2.792 14.866 104 HA VAL 16 HA VAL 16 -8.094 5.122 16.187 105 HB VAL 16 HB VAL 16 -9.761 4.689 14.563 106 HG11 VAL 16 HG11 VAL 16 -8.968 2.502 13.822 107 HG12 VAL 16 HG12 VAL 16 -9.581 1.770 15.306 108 HG13 VAL 16 HG13 VAL 16 -10.703 2.474 14.140 109 HG21 VAL 16 HG21 VAL 16 -10.567 4.987 16.880 110 HG22 VAL 16 HG22 VAL 16 -11.669 4.026 15.893 111 HG23 VAL 16 HG23 VAL 16 -10.615 3.234 17.065 112 H ASN 17 H ASN 17 -7.964 4.872 18.311 113 HA ASN 17 HA ASN 17 -7.823 3.942 20.382 114 HB2 ASN 17 HB2 ASN 17 -9.974 2.999 20.095 115 HB3 ASN 17 3HB ASN 17 -9.386 1.805 18.941 116 HD21 ASN 17 HD21 ASN 17 -10.324 0.148 20.163 117 HD22 ASN 17 HD22 ASN 17 -9.608 -0.408 21.634 118 H GLY 18 H GLY 18 -7.613 0.857 18.663 119 HA2 GLY 18 HA1 GLY 18 -4.733 0.758 18.896 120 HA3 GLY 18 HA2 GLY 18 -5.580 -0.294 20.022 121 H GLN 19 H GLN 19 -7.030 0.302 16.948 122 HA GLN 19 HA GLN 19 -6.536 -2.485 16.215 123 HB2 GLN 19 HB2 GLN 19 -8.755 -0.682 15.944 124 HB3 GLN 19 HB3 GLN 19 -8.284 -1.274 14.357 125 HG2 GLN 19 HG2 GLN 19 -8.319 -3.601 15.463 126 HG3 GLN 19 HG3 GLN 19 -9.259 -2.811 16.727 127 HE21 GLN 19 HE21 GLN 19 -10.814 -1.088 15.346 128 HE22 GLN 19 HE22 GLN 19 -11.875 -1.948 14.287 129 H TYR 20 H TYR 20 -6.666 -2.649 13.609 130 HA TYR 20 HA TYR 20 -4.731 -0.737 12.495 131 HB2 TYR 20 HB2 TYR 20 -3.423 -2.504 11.518 132 HB3 TYR 20 3HB TYR 20 -3.579 -2.832 13.240 133 HD1 TYR 20 HD1 TYR 20 -5.296 -4.545 13.986 134 HD2 TYR 20 HD2 TYR 20 -4.125 -4.083 9.923 135 HE1 TYR 20 HE1 TYR 20 -6.168 -6.790 13.485 136 HE2 TYR 20 HE2 TYR 20 -4.995 -6.325 9.409 137 HH TYR 20 HH TYR 20 -6.240 -8.038 10.185 138 H ALA 21 H ALA 21 -5.143 -0.090 10.461 139 HA ALA 21 HA ALA 21 -7.000 -1.632 8.808 140 HB1 ALA 21 HB1 ALA 21 -8.057 0.341 10.235 141 HB2 ALA 21 HB2 ALA 21 -7.456 1.298 8.880 142 HB3 ALA 21 HB3 ALA 21 -8.591 -0.021 8.594 143 H TRP 22 H TRP 22 -7.096 -0.760 6.550 144 HA TRP 22 HA TRP 22 -4.591 0.580 5.787 145 HB2 TRP 22 HB2 TRP 22 -4.604 -0.961 3.748 146 HB3 TRP 22 3HB TRP 22 -4.138 -1.683 5.286 147 HD1 TRP 22 HD1 TRP 22 -6.607 -2.026 2.491 148 HE1 TRP 22 HE1 TRP 22 -8.232 -3.956 2.995 149 HE3 TRP 22 HE3 TRP 22 -5.394 -2.852 7.389 150 HZ2 TRP 22 HZ2 TRP 22 -8.911 -5.611 5.179 151 HZ3 TRP 22 HZ3 TRP 22 -6.579 -4.627 8.614 152 HH2 TRP 22 HH2 TRP 22 -8.301 -5.976 7.530 153 H ALA 23 H ALA 23 -4.653 1.708 3.767 154 HA ALA 23 HA ALA 23 -7.234 2.053 2.477 155 HB1 ALA 23 HB1 ALA 23 -7.631 4.232 3.027 156 HB2 ALA 23 HB2 ALA 23 -6.861 3.690 4.518 157 HB3 ALA 23 HB3 ALA 23 -5.928 4.585 3.319 158 H TYR 24 H TYR 24 -7.084 3.384 0.516 159 HA TYR 24 HA TYR 24 -4.482 4.047 -0.512 160 HB2 TYR 24 HB2 TYR 24 -4.927 2.487 -2.559 161 HB3 TYR 24 3HB TYR 24 -4.198 1.821 -1.102 162 HD1 TYR 24 HD1 TYR 24 -7.599 2.389 -2.551 163 HD2 TYR 24 HD2 TYR 24 -5.048 -0.167 -0.303 164 HE1 TYR 24 HE1 TYR 24 -9.398 0.716 -2.424 165 HE2 TYR 24 HE2 TYR 24 -6.838 -1.848 -0.171 166 HH TYR 24 HH TYR 24 -9.670 -1.538 -0.365 167 H ALA 25 H ALA 25 -4.569 5.251 -2.445 168 HA ALA 25 HA ALA 25 -7.233 6.342 -3.014 169 HB1 ALA 25 HB1 ALA 25 -5.894 8.132 -2.455 170 HB2 ALA 25 HB2 ALA 25 -4.466 7.442 -3.227 171 HB3 ALA 25 HB3 ALA 25 -5.758 8.125 -4.213 172 H PHE 26 H PHE 26 -8.221 5.905 -4.871 173 HA PHE 26 HA PHE 26 -6.642 4.693 -7.038 174 HB2 PHE 26 HB2 PHE 26 -9.435 4.274 -6.065 175 HB3 PHE 26 3HB PHE 26 -9.095 4.017 -7.773 176 HD1 PHE 26 HD1 PHE 26 -6.949 3.302 -4.827 177 HD2 PHE 26 HD2 PHE 26 -9.235 1.719 -8.049 178 HE1 PHE 26 HE1 PHE 26 -6.103 1.050 -4.316 179 HE2 PHE 26 HE2 PHE 26 -8.393 -0.536 -7.543 180 HZ PHE 26 HZ PHE 26 -6.824 -0.874 -5.674 181 H VAL 27 H VAL 27 -6.746 5.491 -9.093 182 HA VAL 27 HA VAL 27 -8.580 7.691 -9.672 183 HB VAL 27 HB VAL 27 -5.585 7.901 -9.703 184 HG11 VAL 27 HG11 VAL 27 -7.511 9.100 -11.600 185 HG12 VAL 27 HG12 VAL 27 -6.268 10.169 -10.945 186 HG13 VAL 27 HG13 VAL 27 -5.806 8.702 -11.811 187 HG21 VAL 27 HG21 VAL 27 -6.010 10.016 -8.594 188 HG22 VAL 27 HG22 VAL 27 -7.749 9.799 -8.795 189 HG23 VAL 27 HG23 VAL 27 -6.840 8.712 -7.745 190 H LYS 28 H LYS 28 -9.445 7.458 -11.624 191 HA LYS 28 HA LYS 28 -7.967 5.898 -13.640 192 HB2 LYS 28 HB2 LYS 28 -10.861 5.775 -12.844 193 HB3 LYS 28 HB3 LYS 28 -10.355 5.292 -14.458 194 HG2 LYS 28 HG2 LYS 28 -8.672 4.049 -12.500 195 HG3 LYS 28 HG3 LYS 28 -10.371 3.744 -12.125 196 HD2 LYS 28 HD2 LYS 28 -9.455 3.428 -14.941 197 HD3 LYS 28 HD3 LYS 28 -9.026 2.180 -13.770 198 HE2 LYS 28 HE2 LYS 28 -11.298 1.719 -13.294 199 HE3 LYS 28 HE3 LYS 28 -11.843 3.173 -14.130 200 HZ1 LYS 28 HZ1 LYS 28 -11.739 0.683 -15.198 201 HZ2 LYS 28 HZ2 LYS 28 -10.337 1.401 -15.812 202 HZ3 LYS 28 HZ3 LYS 28 -11.843 2.123 -16.080 203 H ASP 29 H ASP 29 -7.883 6.708 -15.674 204 HA ASP 29 HA ASP 29 -8.073 8.175 -17.403 205 HB2 ASP 29 HB2 ASP 29 -10.711 8.051 -16.247 206 HB3 ASP 29 3HB ASP 29 -10.390 9.676 -16.845 207 H GLY 30 H GLY 30 -7.181 8.940 -14.505 208 HA2 GLY 30 HA1 GLY 30 -5.847 10.773 -13.905 209 HA3 GLY 30 HA2 GLY 30 -6.562 11.696 -15.219 210 H LYS 31 H LYS 31 -8.805 10.043 -13.257 211 HA LYS 31 HA LYS 31 -9.220 12.375 -11.533 212 HB2 LYS 31 HB2 LYS 31 -11.443 12.698 -12.133 213 HB3 LYS 31 HB3 LYS 31 -10.675 12.373 -13.681 214 HG2 LYS 31 HG2 LYS 31 -11.366 9.891 -13.097 215 HG3 LYS 31 HG3 LYS 31 -12.578 10.720 -12.117 216 HD2 LYS 31 HD2 LYS 31 -12.101 11.174 -15.063 217 HD3 LYS 31 HD3 LYS 31 -13.402 10.198 -14.377 218 HE2 LYS 31 HE2 LYS 31 -13.658 12.576 -13.033 219 HE3 LYS 31 HE3 LYS 31 -13.164 13.098 -14.643 220 HZ1 LYS 31 HZ1 LYS 31 -15.383 11.187 -14.186 221 HZ2 LYS 31 HZ2 LYS 31 -15.007 12.020 -15.610 222 HZ3 LYS 31 HZ3 LYS 31 -15.620 12.860 -14.276 223 H VAL 32 H VAL 32 -10.855 11.903 -9.798 224 HA VAL 32 HA VAL 32 -10.127 9.581 -8.391 225 HB VAL 32 HB VAL 32 -12.564 11.305 -7.931 226 HG11 VAL 32 HG11 VAL 32 -11.231 9.143 -6.387 227 HG12 VAL 32 HG12 VAL 32 -11.916 10.504 -5.497 228 HG13 VAL 32 HG13 VAL 32 -12.945 9.529 -6.547 229 HG21 VAL 32 HG21 VAL 32 -10.990 12.329 -6.169 230 HG22 VAL 32 HG22 VAL 32 -9.691 11.625 -7.133 231 HG23 VAL 32 HG23 VAL 32 -10.781 12.808 -7.854 232 H HIS 33 H HIS 33 -10.771 7.553 -8.638 233 HA HIS 33 HA HIS 33 -13.307 7.038 -10.037 234 HB2 HIS 33 HB2 HIS 33 -11.015 6.164 -10.908 235 HB3 HIS 33 3HB HIS 33 -11.171 4.968 -9.623 236 HD1 HIS 33 HD1 HIS 33 -12.099 2.857 -10.477 237 HD2 HIS 33 HD2 HIS 33 -13.663 6.139 -12.488 238 HE1 HIS 33 HE1 HIS 33 -13.695 1.909 -12.174 239 H TYR 34 H TYR 34 -11.279 5.752 -7.406 240 HA TYR 34 HA TYR 34 -13.750 4.959 -6.018 241 HB2 TYR 34 HB2 TYR 34 -11.196 3.353 -6.231 242 HB3 TYR 34 3HB TYR 34 -12.538 2.956 -5.162 243 HD1 TYR 34 HD1 TYR 34 -14.813 3.604 -7.016 244 HD2 TYR 34 HD2 TYR 34 -11.178 1.491 -7.670 245 HE1 TYR 34 HE1 TYR 34 -15.885 2.333 -8.829 246 HE2 TYR 34 HE2 TYR 34 -12.239 0.215 -9.484 247 HH TYR 34 HH TYR 34 -15.601 0.210 -10.005 248 H GLU 35 H GLU 35 -13.214 4.421 -3.636 249 HA GLU 35 HA GLU 35 -10.997 5.527 -2.344 250 HB2 GLU 35 HB2 GLU 35 -12.156 7.548 -1.338 251 HB3 GLU 35 HB3 GLU 35 -11.655 7.697 -3.016 252 HG2 GLU 35 HG2 GLU 35 -14.328 6.666 -2.871 253 HG3 GLU 35 HG3 GLU 35 -14.192 8.156 -1.940 254 H ASP 36 H ASP 36 -10.989 4.155 -0.694 255 HA ASP 36 HA ASP 36 -12.846 4.255 1.395 256 HB2 ASP 36 HB2 ASP 36 -13.860 2.783 -0.720 257 HB3 ASP 36 3HB ASP 36 -13.193 1.551 0.349 258 H ALA 37 H ALA 37 -12.434 2.590 3.061 259 HA ALA 37 HA ALA 37 -9.814 1.289 2.753 260 HB1 ALA 37 HB1 ALA 37 -10.705 3.101 4.976 261 HB2 ALA 37 HB2 ALA 37 -9.398 1.933 5.182 262 HB3 ALA 37 HB3 ALA 37 -9.256 3.213 3.977 263 H ASP 38 H ASP 38 -9.411 -0.327 4.531 264 HA ASP 38 HA ASP 38 -11.893 -1.532 5.534 265 HB2 ASP 38 HB2 ASP 38 -9.909 -2.739 3.675 266 HB3 ASP 38 3HB ASP 38 -10.558 -3.777 4.941 267 H VAL 39 H VAL 39 -11.704 -2.667 7.455 268 HA VAL 39 HA VAL 39 -9.130 -2.324 8.846 269 HB VAL 39 HB VAL 39 -11.831 -2.689 10.141 270 HG11 VAL 39 HG11 VAL 39 -9.111 -1.908 11.159 271 HG12 VAL 39 HG12 VAL 39 -10.592 -1.652 12.083 272 HG13 VAL 39 HG13 VAL 39 -10.099 -3.287 11.638 273 HG21 VAL 39 HG21 VAL 39 -11.848 -0.636 8.829 274 HG22 VAL 39 HG22 VAL 39 -11.808 -0.271 10.553 275 HG23 VAL 39 HG23 VAL 39 -10.341 -0.124 9.586 276 H GLY 40 H GLY 40 -8.461 -3.984 10.330 277 HA2 GLY 40 HA1 GLY 40 -9.447 -6.648 9.524 278 HA3 GLY 40 HA2 GLY 40 -7.794 -6.308 10.016 279 H LYS 41 H LYS 41 -8.163 -8.138 11.477 280 HA LYS 41 HA LYS 41 -8.633 -7.276 14.112 281 HB2 LYS 41 HB2 LYS 41 -10.649 -8.563 14.653 282 HB3 LYS 41 HB3 LYS 41 -10.988 -7.320 13.456 283 HG2 LYS 41 HG2 LYS 41 -10.279 -9.955 12.363 284 HG3 LYS 41 HG3 LYS 41 -11.798 -9.883 13.259 285 HD2 LYS 41 HD2 LYS 41 -11.689 -7.596 11.596 286 HD3 LYS 41 HD3 LYS 41 -11.236 -8.987 10.608 287 HE2 LYS 41 HE2 LYS 41 -13.351 -9.995 11.961 288 HE3 LYS 41 HE3 LYS 41 -13.814 -8.298 11.853 289 HZ1 LYS 41 HZ1 LYS 41 -14.090 -10.215 9.898 290 HZ2 LYS 41 HZ2 LYS 41 -12.815 -9.239 9.367 291 HZ3 LYS 41 HZ3 LYS 41 -14.318 -8.548 9.723 292 H ASN 42 H ASN 42 -6.565 -8.597 12.878 293 HA ASN 42 HA ASN 42 -6.766 -11.354 13.888 294 HB2 ASN 42 HB2 ASN 42 -5.037 -10.101 11.761 295 HB3 ASN 42 3HB ASN 42 -4.635 -11.660 12.476 296 HD21 ASN 42 HD21 ASN 42 -5.197 -11.250 9.761 297 HD22 ASN 42 HD22 ASN 42 -6.643 -12.112 9.372 298 HA PRO 43 HA PRO 43 -3.881 -10.569 17.102 299 HB2 PRO 43 HB2 PRO 43 -2.534 -12.924 17.205 300 HB3 PRO 43 HB3 PRO 43 -4.201 -12.745 17.764 301 HG2 PRO 43 HG2 PRO 43 -3.180 -13.825 15.166 302 HG3 PRO 43 HG3 PRO 43 -4.477 -14.447 16.204 303 HD2 PRO 43 HD2 PRO 43 -4.967 -12.987 13.976 304 HD3 PRO 43 HD3 PRO 43 -6.014 -12.925 15.408 305 H ALA 44 H ALA 44 -2.354 -12.258 14.353 306 HA ALA 44 HA ALA 44 0.275 -11.520 14.827 307 HB1 ALA 44 HB1 ALA 44 0.178 -11.560 12.104 308 HB2 ALA 44 HB2 ALA 44 0.320 -12.987 13.132 309 HB3 ALA 44 HB3 ALA 44 -1.261 -12.488 12.529 310 H ALA 45 H ALA 45 -2.359 -9.644 13.558 311 HA ALA 45 HA ALA 45 -0.574 -7.497 12.698 312 HB1 ALA 45 HB1 ALA 45 -2.221 -7.687 11.115 313 HB2 ALA 45 HB2 ALA 45 -3.462 -8.110 12.295 314 HB3 ALA 45 HB3 ALA 45 -2.912 -6.439 12.153 315 H ALA 46 H ALA 46 -3.373 -7.916 14.867 316 HA ALA 46 HA ALA 46 -3.331 -5.388 16.031 317 HB1 ALA 46 HB1 ALA 46 -4.106 -7.909 17.480 318 HB2 ALA 46 HB2 ALA 46 -4.718 -6.275 17.737 319 HB3 ALA 46 HB3 ALA 46 -5.121 -7.145 16.256 320 H THR 47 H THR 47 -1.237 -8.094 16.504 321 HA THR 47 HA THR 47 -0.249 -7.385 19.076 322 HB THR 47 HB THR 47 -0.008 -9.662 18.157 323 HG1 THR 47 HG1 THR 47 1.450 -9.299 19.740 324 HG21 THR 47 HG21 THR 47 1.023 -8.296 15.913 325 HG22 THR 47 HG22 THR 47 0.828 -10.036 16.125 326 HG23 THR 47 HG23 THR 47 2.345 -9.257 16.574 327 H MET 48 H MET 48 0.120 -5.949 16.070 328 HA MET 48 HA MET 48 2.629 -4.652 16.913 329 HB2 MET 48 HB2 MET 48 1.658 -5.526 14.226 330 HB3 MET 48 HB3 MET 48 2.702 -4.114 14.331 331 HG2 MET 48 HG2 MET 48 3.656 -6.428 15.844 332 HG3 MET 48 HG3 MET 48 3.551 -6.686 14.104 333 HE1 MET 48 HE1 MET 48 5.786 -2.999 15.720 334 HE2 MET 48 HE2 MET 48 4.065 -3.053 15.341 335 HE3 MET 48 HE3 MET 48 4.692 -3.958 16.719 336 H ARG 49 H ARG 49 -0.209 -3.964 17.505 337 HA ARG 49 HA ARG 49 -1.464 -2.081 17.737 338 HB2 ARG 49 HB2 ARG 49 1.028 -0.753 16.660 339 HB3 ARG 49 HB3 ARG 49 -0.357 0.113 17.309 340 HG2 ARG 49 HG2 ARG 49 0.143 -1.526 19.369 341 HG3 ARG 49 HG3 ARG 49 1.769 -1.383 18.699 342 HD2 ARG 49 HD2 ARG 49 0.060 1.029 19.209 343 HD3 ARG 49 HD3 ARG 49 1.040 0.311 20.485 344 HE ARG 49 HE ARG 49 2.587 0.792 18.154 345 HH11 ARG 49 HH11 ARG 49 1.137 2.381 20.890 346 HH12 ARG 49 HH12 ARG 49 2.285 3.678 20.911 347 HH21 ARG 49 HH21 ARG 49 4.105 2.495 18.170 348 HH22 ARG 49 HH22 ARG 49 3.973 3.743 19.362 349 H ASN 50 H ASN 50 0.330 -0.912 14.924 350 HA ASN 50 HA ASN 50 -1.830 -1.572 13.115 351 HB2 ASN 50 HB2 ASN 50 -1.981 0.887 12.393 352 HB3 ASN 50 3HB ASN 50 -2.797 0.433 13.885 353 HD21 ASN 50 HD21 ASN 50 -1.800 0.970 15.889 354 HD22 ASN 50 HD22 ASN 50 -0.703 2.302 15.989 355 H VAL 51 H VAL 51 1.177 -1.854 13.567 356 HA VAL 51 HA VAL 51 2.434 -0.476 11.403 357 HB VAL 51 HB VAL 51 3.395 -2.919 12.900 358 HG11 VAL 51 HG11 VAL 51 5.218 -2.880 11.631 359 HG12 VAL 51 HG12 VAL 51 4.405 -1.706 10.593 360 HG13 VAL 51 HG13 VAL 51 5.442 -1.153 11.909 361 HG21 VAL 51 HG21 VAL 51 2.907 -0.952 14.344 362 HG22 VAL 51 HG22 VAL 51 4.608 -1.415 14.329 363 HG23 VAL 51 HG23 VAL 51 4.066 -0.020 13.396 364 H ALA 52 H ALA 52 1.129 -3.728 11.866 365 HA ALA 52 HA ALA 52 1.951 -4.657 9.280 366 HB1 ALA 52 HB1 ALA 52 1.372 -6.672 10.043 367 HB2 ALA 52 HB2 ALA 52 1.130 -5.879 11.600 368 HB3 ALA 52 HB3 ALA 52 -0.239 -6.127 10.515 369 H GLY 53 H GLY 53 -0.781 -2.959 10.550 370 HA2 GLY 53 HA1 GLY 53 -2.601 -3.641 8.441 371 HA3 GLY 53 HA2 GLY 53 -2.811 -2.360 9.626 372 H GLU 54 H GLU 54 -0.044 -1.362 8.777 373 HA GLU 54 HA GLU 54 -1.004 0.540 6.876 374 HB2 GLU 54 HB2 GLU 54 0.963 1.684 7.235 375 HB3 GLU 54 HB3 GLU 54 0.841 0.765 8.728 376 HG2 GLU 54 HG2 GLU 54 2.293 -0.981 7.560 377 HG3 GLU 54 HG3 GLU 54 2.626 0.279 6.373 378 H ILE 55 H ILE 55 1.033 -2.321 6.726 379 HA ILE 55 HA ILE 55 1.808 -1.918 3.995 380 HB ILE 55 HB ILE 55 2.008 -4.318 5.810 381 HG12 ILE 55 HG12 ILE 55 4.432 -3.072 4.725 382 HG13 ILE 55 HG13 ILE 55 3.481 -1.996 5.744 383 HG21 ILE 55 HG21 ILE 55 2.596 -4.016 2.913 384 HG22 ILE 55 HG22 ILE 55 3.695 -4.983 3.894 385 HG23 ILE 55 HG23 ILE 55 1.987 -5.411 3.804 386 HD11 ILE 55 HD11 ILE 55 3.506 -4.207 7.275 387 HD12 ILE 55 HD12 ILE 55 5.056 -4.370 6.448 388 HD13 ILE 55 HD13 ILE 55 4.702 -2.916 7.381 389 H ALA 56 H ALA 56 -0.773 -3.584 5.661 390 HA ALA 56 HA ALA 56 -1.684 -5.367 3.786 391 HB1 ALA 56 HB1 ALA 56 -2.717 -4.143 6.116 392 HB2 ALA 56 HB2 ALA 56 -3.958 -4.041 4.867 393 HB3 ALA 56 HB3 ALA 56 -3.278 -5.606 5.307 394 H ALA 57 H ALA 57 -1.927 -1.880 3.751 395 HA ALA 57 HA ALA 57 -3.915 -1.553 1.812 396 HB1 ALA 57 HB1 ALA 57 -2.953 0.667 1.441 397 HB2 ALA 57 HB2 ALA 57 -3.081 0.294 3.161 398 HB3 ALA 57 HB3 ALA 57 -1.518 0.195 2.351 399 H ALA 58 H ALA 58 -0.374 -1.629 1.393 400 HA ALA 58 HA ALA 58 -0.265 -1.375 -1.356 401 HB1 ALA 58 HB1 ALA 58 1.873 -1.381 -0.729 402 HB2 ALA 58 HB2 ALA 58 1.516 -2.291 0.741 403 HB3 ALA 58 HB3 ALA 58 1.783 -3.142 -0.781 404 H LEU 59 H LEU 59 -0.858 -4.258 0.584 405 HA LEU 59 HA LEU 59 -0.614 -6.234 -1.329 406 HB2 LEU 59 HB2 LEU 59 -2.731 -6.111 0.812 407 HB3 LEU 59 3HB LEU 59 -2.125 -7.559 0.011 408 HG LEU 59 HG LEU 59 -0.825 -5.874 2.117 409 HD11 LEU 59 HD11 LEU 59 -1.859 -8.592 1.827 410 HD12 LEU 59 HD12 LEU 59 -1.613 -7.616 3.275 411 HD13 LEU 59 HD13 LEU 59 -0.262 -8.507 2.573 412 HD21 LEU 59 HD21 LEU 59 1.280 -7.101 1.682 413 HD22 LEU 59 HD22 LEU 59 0.847 -5.985 0.387 414 HD23 LEU 59 HD23 LEU 59 0.578 -7.717 0.187 415 H TYR 60 H TYR 60 -3.747 -4.842 -0.340 416 HA TYR 60 HA TYR 60 -5.122 -5.812 -2.608 417 HB2 TYR 60 HB2 TYR 60 -5.836 -3.601 -0.673 418 HB3 TYR 60 3HB TYR 60 -6.937 -4.262 -1.878 419 HD1 TYR 60 HD1 TYR 60 -4.934 -5.163 1.117 420 HD2 TYR 60 HD2 TYR 60 -8.185 -6.200 -1.423 421 HE1 TYR 60 HE1 TYR 60 -5.612 -6.911 2.708 422 HE2 TYR 60 HE2 TYR 60 -8.873 -7.950 0.161 423 HH TYR 60 HH TYR 60 -7.657 -8.160 3.310 424 H ALA 61 H ALA 61 -3.465 -2.801 -1.919 425 HA ALA 61 HA ALA 61 -4.449 -1.199 -3.967 426 HB1 ALA 61 HB1 ALA 61 -3.043 -0.313 -2.207 427 HB2 ALA 61 HB2 ALA 61 -1.672 -1.255 -2.793 428 HB3 ALA 61 HB3 ALA 61 -2.333 0.048 -3.781 429 H VAL 62 H VAL 62 -1.835 -3.584 -4.016 430 HA VAL 62 HA VAL 62 -1.124 -3.056 -6.744 431 HB VAL 62 HB VAL 62 -0.424 -5.401 -4.971 432 HG11 VAL 62 HG11 VAL 62 -0.194 -6.045 -7.274 433 HG12 VAL 62 HG12 VAL 62 0.669 -4.552 -7.649 434 HG13 VAL 62 HG13 VAL 62 1.413 -5.763 -6.604 435 HG21 VAL 62 HG21 VAL 62 1.622 -3.421 -5.694 436 HG22 VAL 62 HG22 VAL 62 0.344 -2.818 -4.640 437 HG23 VAL 62 HG23 VAL 62 1.303 -4.215 -4.152 438 H LYS 63 H LYS 63 -2.884 -5.651 -5.070 439 HA LYS 63 HA LYS 63 -3.408 -7.325 -7.195 440 HB2 LYS 63 HB2 LYS 63 -5.279 -6.638 -4.919 441 HB3 LYS 63 HB3 LYS 63 -5.399 -8.059 -5.948 442 HG2 LYS 63 HG2 LYS 63 -3.624 -9.102 -4.956 443 HG3 LYS 63 HG3 LYS 63 -2.858 -7.585 -4.478 444 HD2 LYS 63 HD2 LYS 63 -3.739 -7.798 -2.449 445 HD3 LYS 63 HD3 LYS 63 -5.356 -7.729 -3.154 446 HE2 LYS 63 HE2 LYS 63 -3.937 -10.314 -3.354 447 HE3 LYS 63 HE3 LYS 63 -4.442 -9.821 -1.738 448 HZ1 LYS 63 HZ1 LYS 63 -6.010 -10.870 -3.841 449 HZ2 LYS 63 HZ2 LYS 63 -6.590 -9.339 -3.416 450 HZ3 LYS 63 HZ3 LYS 63 -6.457 -10.548 -2.241 451 H LYS 64 H LYS 64 -5.355 -4.551 -6.111 452 HA LYS 64 HA LYS 64 -7.251 -4.772 -8.222 453 HB2 LYS 64 HB2 LYS 64 -6.888 -3.168 -5.887 454 HB3 LYS 64 HB3 LYS 64 -7.158 -2.097 -7.256 455 HG2 LYS 64 HG2 LYS 64 -9.290 -2.493 -6.428 456 HG3 LYS 64 HG3 LYS 64 -9.159 -3.608 -7.791 457 HD2 LYS 64 HD2 LYS 64 -9.992 -5.035 -6.215 458 HD3 LYS 64 HD3 LYS 64 -8.267 -5.234 -5.901 459 HE2 LYS 64 HE2 LYS 64 -8.432 -4.333 -3.862 460 HE3 LYS 64 HE3 LYS 64 -9.430 -3.000 -4.443 461 HZ1 LYS 64 HZ1 LYS 64 -10.277 -5.668 -3.507 462 HZ2 LYS 64 HZ2 LYS 64 -11.279 -4.750 -4.515 463 HZ3 LYS 64 HZ3 LYS 64 -10.817 -4.144 -3.005 464 H ALA 65 H ALA 65 -4.174 -3.191 -7.867 465 HA ALA 65 HA ALA 65 -4.281 -1.238 -9.820 466 HB1 ALA 65 HB1 ALA 65 -1.741 -2.567 -9.942 467 HB2 ALA 65 HB2 ALA 65 -2.149 -0.996 -9.250 468 HB3 ALA 65 HB3 ALA 65 -2.285 -2.453 -8.267 469 H SER 66 H SER 66 -3.968 -4.708 -10.167 470 HA SER 66 HA SER 66 -3.279 -4.634 -12.948 471 HB2 SER 66 HB2 SER 66 -2.555 -6.585 -11.873 472 HB3 SER 66 3HB SER 66 -4.089 -6.806 -11.032 473 HG SER 66 HG SER 66 -4.821 -7.874 -12.686 474 H GLN 67 H GLN 67 -6.226 -4.695 -11.104 475 HA GLN 67 HA GLN 67 -7.946 -5.549 -13.201 476 HB2 GLN 67 HB2 GLN 67 -8.649 -3.902 -10.767 477 HB3 GLN 67 HB3 GLN 67 -9.762 -4.832 -11.761 478 HG2 GLN 67 HG2 GLN 67 -8.631 -6.896 -11.080 479 HG3 GLN 67 HG3 GLN 67 -7.544 -5.953 -10.062 480 HE21 GLN 67 HE21 GLN 67 -11.037 -5.750 -10.610 481 HE22 GLN 67 HE22 GLN 67 -11.485 -5.955 -8.954 482 H LEU 68 H LEU 68 -6.931 -2.386 -11.996 483 HA LEU 68 HA LEU 68 -8.599 -0.961 -13.866 484 HB2 LEU 68 HB2 LEU 68 -6.338 0.100 -12.182 485 HB3 LEU 68 3HB LEU 68 -7.618 1.034 -12.954 486 HG LEU 68 HG LEU 68 -8.935 -0.778 -11.279 487 HD11 LEU 68 HD11 LEU 68 -7.796 -1.048 -9.376 488 HD12 LEU 68 HD12 LEU 68 -7.170 0.600 -9.405 489 HD13 LEU 68 HD13 LEU 68 -6.368 -0.664 -10.338 490 HD21 LEU 68 HD21 LEU 68 -9.615 1.213 -10.094 491 HD22 LEU 68 HD22 LEU 68 -9.567 1.545 -11.826 492 HD23 LEU 68 HD23 LEU 68 -8.268 2.121 -10.781 493 H GLY 69 H GLY 69 -5.863 -2.705 -14.262 494 HA2 GLY 69 HA1 GLY 69 -4.280 -2.820 -15.917 495 HA3 GLY 69 HA2 GLY 69 -5.341 -1.778 -16.853 496 H VAL 70 H VAL 70 -4.168 -0.660 -13.797 497 HA VAL 70 HA VAL 70 -2.393 1.216 -15.213 498 HB VAL 70 HB VAL 70 -2.778 2.828 -13.498 499 HG11 VAL 70 HG11 VAL 70 -5.558 1.851 -13.758 500 HG12 VAL 70 HG12 VAL 70 -4.874 3.440 -14.107 501 HG13 VAL 70 HG13 VAL 70 -4.662 2.116 -15.253 502 HG21 VAL 70 HG21 VAL 70 -3.056 2.119 -11.406 503 HG22 VAL 70 HG22 VAL 70 -4.738 1.782 -11.816 504 HG23 VAL 70 HG23 VAL 70 -3.527 0.507 -11.949 505 H LYS 71 H LYS 71 -0.901 2.233 -13.240 506 HA LYS 71 HA LYS 71 0.336 -0.013 -11.822 507 HB2 LYS 71 HB2 LYS 71 1.702 1.850 -13.752 508 HB3 LYS 71 HB3 LYS 71 2.596 0.996 -12.501 509 HG2 LYS 71 HG2 LYS 71 2.840 -0.373 -14.346 510 HG3 LYS 71 HG3 LYS 71 1.500 -1.124 -13.477 511 HD2 LYS 71 HD2 LYS 71 0.032 -0.679 -15.118 512 HD3 LYS 71 HD3 LYS 71 0.685 0.938 -15.393 513 HE2 LYS 71 HE2 LYS 71 2.594 -0.108 -16.597 514 HE3 LYS 71 HE3 LYS 71 1.799 -1.671 -16.420 515 HZ1 LYS 71 HZ1 LYS 71 0.380 -1.214 -18.063 516 HZ2 LYS 71 HZ2 LYS 71 1.465 0.006 -18.502 517 HZ3 LYS 71 HZ3 LYS 71 0.118 0.377 -17.550 518 H ILE 72 H ILE 72 1.522 0.563 -9.969 519 HA ILE 72 HA ILE 72 0.826 3.210 -8.919 520 HB ILE 72 HB ILE 72 1.204 2.328 -6.718 521 HG12 ILE 72 HG12 ILE 72 2.206 -0.143 -8.143 522 HG13 ILE 72 HG13 ILE 72 3.139 0.937 -7.112 523 HG21 ILE 72 HG21 ILE 72 -0.606 0.863 -6.564 524 HG22 ILE 72 HG22 ILE 72 -0.919 1.771 -8.042 525 HG23 ILE 72 HG23 ILE 72 -0.268 0.134 -8.134 526 HD11 ILE 72 HD11 ILE 72 1.016 -1.024 -6.324 527 HD12 ILE 72 HD12 ILE 72 2.699 -0.946 -5.802 528 HD13 ILE 72 HD13 ILE 72 1.547 0.269 -5.249 529 H ARG 73 H ARG 73 2.577 3.810 -7.086 530 HA ARG 73 HA ARG 73 4.792 4.813 -8.400 531 HB2 ARG 73 HB2 ARG 73 5.782 5.039 -6.066 532 HB3 ARG 73 HB3 ARG 73 4.218 5.796 -6.333 533 HG2 ARG 73 HG2 ARG 73 3.599 4.762 -4.461 534 HG3 ARG 73 HG3 ARG 73 3.511 3.307 -5.456 535 HD2 ARG 73 HD2 ARG 73 6.200 3.922 -4.485 536 HD3 ARG 73 HD3 ARG 73 5.034 3.600 -3.202 537 HE ARG 73 HE ARG 73 6.195 1.695 -4.940 538 HH11 ARG 73 HH11 ARG 73 3.195 2.496 -3.365 539 HH12 ARG 73 HH12 ARG 73 2.635 0.857 -3.312 540 HH21 ARG 73 HH21 ARG 73 5.467 -0.466 -4.878 541 HH22 ARG 73 HH22 ARG 73 3.928 -0.826 -4.172 542 H ILE 74 H ILE 74 6.947 4.214 -8.562 543 HA ILE 74 HA ILE 74 7.565 1.424 -7.844 544 HB ILE 74 HB ILE 74 7.265 1.426 -10.211 545 HG12 ILE 74 HG12 ILE 74 10.230 1.617 -9.633 546 HG13 ILE 74 HG13 ILE 74 9.232 0.198 -9.337 547 HG21 ILE 74 HG21 ILE 74 9.214 3.716 -10.396 548 HG22 ILE 74 HG22 ILE 74 8.323 2.964 -11.718 549 HG23 ILE 74 HG23 ILE 74 7.462 3.889 -10.488 550 HD11 ILE 74 HD11 ILE 74 10.014 1.407 -11.965 551 HD12 ILE 74 HD12 ILE 74 10.340 -0.216 -11.356 552 HD13 ILE 74 HD13 ILE 74 8.700 0.241 -11.813 553 H LEU 75 H LEU 75 8.891 4.629 -8.576 554 HA LEU 75 HA LEU 75 11.023 4.115 -6.632 555 HB2 LEU 75 HB2 LEU 75 11.421 4.195 -9.409 556 HB3 LEU 75 3HB LEU 75 12.014 5.735 -8.791 557 HG LEU 75 HG LEU 75 13.274 4.172 -7.077 558 HD11 LEU 75 HD11 LEU 75 14.022 2.101 -8.196 559 HD12 LEU 75 HD12 LEU 75 12.826 2.382 -9.460 560 HD13 LEU 75 HD13 LEU 75 12.303 2.089 -7.802 561 HD21 LEU 75 HD21 LEU 75 15.191 4.534 -8.304 562 HD22 LEU 75 HD22 LEU 75 14.099 5.737 -8.992 563 HD23 LEU 75 HD23 LEU 75 14.393 4.221 -9.846 564 H HIS 76 H HIS 76 12.355 6.372 -6.534 565 HA HIS 76 HA HIS 76 12.321 8.492 -5.710 566 HB2 HIS 76 HB2 HIS 76 10.978 8.557 -8.147 567 HB3 HIS 76 3HB HIS 76 9.913 9.428 -7.048 568 HD1 HIS 76 HD1 HIS 76 10.506 11.801 -6.574 569 HD2 HIS 76 HD2 HIS 76 13.678 9.688 -8.226 570 HE1 HIS 76 HE1 HIS 76 12.301 13.510 -7.004 571 H ASP 77 H ASP 77 10.578 6.323 -4.535 572 HA ASP 77 HA ASP 77 8.785 8.090 -3.001 573 HB2 ASP 77 HB2 ASP 77 7.398 6.604 -4.255 574 HB3 ASP 77 3HB ASP 77 8.398 5.216 -3.839 575 H TYR 78 H TYR 78 9.434 8.369 -0.983 576 HA TYR 78 HA TYR 78 11.269 6.444 0.222 577 HB2 TYR 78 HB2 TYR 78 11.223 9.189 0.238 578 HB3 TYR 78 3HB TYR 78 10.527 8.801 1.807 579 HD1 TYR 78 HD1 TYR 78 13.486 8.185 -0.352 580 HD2 TYR 78 HD2 TYR 78 11.900 8.143 3.595 581 HE1 TYR 78 HE1 TYR 78 15.742 7.795 0.544 582 HE2 TYR 78 HE2 TYR 78 14.152 7.753 4.502 583 HH TYR 78 HH TYR 78 16.410 6.628 3.399 584 H ALA 79 H ALA 79 8.503 5.715 -0.107 585 HA ALA 79 HA ALA 79 6.976 6.027 2.222 586 HB1 ALA 79 HB1 ALA 79 6.102 5.187 0.068 587 HB2 ALA 79 HB2 ALA 79 6.956 3.669 0.343 588 HB3 ALA 79 HB3 ALA 79 5.663 4.163 1.435 589 H GLY 80 H GLY 80 6.297 3.565 3.175 590 HA2 GLY 80 HA1 GLY 80 8.527 3.011 4.924 591 HA3 GLY 80 HA2 GLY 80 6.922 2.303 5.020 592 H ILE 81 H ILE 81 6.948 1.427 2.226 593 HA ILE 81 HA ILE 81 7.911 -1.165 2.558 594 HB ILE 81 HB ILE 81 7.153 0.418 0.125 595 HG12 ILE 81 HG12 ILE 81 5.381 -1.355 0.026 596 HG13 ILE 81 HG13 ILE 81 6.012 -2.002 1.537 597 HG21 ILE 81 HG21 ILE 81 7.307 -2.006 -0.945 598 HG22 ILE 81 HG22 ILE 81 8.661 -0.878 -0.979 599 HG23 ILE 81 HG23 ILE 81 8.613 -2.161 0.229 600 HD11 ILE 81 HD11 ILE 81 5.257 0.867 1.442 601 HD12 ILE 81 HD12 ILE 81 3.977 -0.347 1.492 602 HD13 ILE 81 HD13 ILE 81 5.182 -0.283 2.777 603 H ALA 82 H ALA 82 9.379 1.593 0.869 604 HA ALA 82 HA ALA 82 11.739 0.124 0.154 605 HB1 ALA 82 HB1 ALA 82 10.591 2.667 -0.475 606 HB2 ALA 82 HB2 ALA 82 12.276 2.881 0.003 607 HB3 ALA 82 HB3 ALA 82 11.865 1.781 -1.314 608 H PHE 83 H PHE 83 10.656 1.445 3.020 609 HA PHE 83 HA PHE 83 13.179 2.390 4.029 610 HB2 PHE 83 HB2 PHE 83 10.620 2.894 4.738 611 HB3 PHE 83 3HB PHE 83 11.033 1.673 5.937 612 HD1 PHE 83 HD1 PHE 83 12.014 4.967 4.579 613 HD2 PHE 83 HD2 PHE 83 12.384 2.193 7.786 614 HE1 PHE 83 HE1 PHE 83 13.145 6.685 5.930 615 HE2 PHE 83 HE2 PHE 83 13.515 3.907 9.142 616 HZ PHE 83 HZ PHE 83 13.898 6.156 8.214 617 H TRP 84 H TRP 84 11.069 -0.365 4.854 618 HA TRP 84 HA TRP 84 13.176 -1.630 6.365 619 HB2 TRP 84 HB2 TRP 84 11.478 -2.722 7.333 620 HB3 TRP 84 3HB TRP 84 10.378 -1.791 6.319 621 HD1 TRP 84 HD1 TRP 84 12.244 -5.177 6.310 622 HE1 TRP 84 HE1 TRP 84 10.896 -6.828 4.867 623 HE3 TRP 84 HE3 TRP 84 8.641 -1.988 4.581 624 HZ2 TRP 84 HZ2 TRP 84 8.609 -6.784 3.214 625 HZ3 TRP 84 HZ3 TRP 84 6.910 -2.872 3.074 626 HH2 TRP 84 HH2 TRP 84 6.896 -5.220 2.404 627 H ALA 85 H ALA 85 12.085 -1.638 3.123 628 HA ALA 85 HA ALA 85 12.678 -4.199 2.245 629 HB1 ALA 85 HB1 ALA 85 12.833 -1.526 0.889 630 HB2 ALA 85 HB2 ALA 85 13.237 -3.021 0.043 631 HB3 ALA 85 HB3 ALA 85 11.619 -2.793 0.707 632 H THR 86 H THR 86 14.831 -1.485 2.870 633 HA THR 86 HA THR 86 17.145 -2.966 1.915 634 HB THR 86 HB THR 86 18.422 -0.983 2.262 635 HG1 THR 86 HG1 THR 86 17.076 0.874 3.240 636 HG21 THR 86 HG21 THR 86 17.010 -0.879 0.300 637 HG22 THR 86 HG22 THR 86 17.111 0.723 1.031 638 HG23 THR 86 HG23 THR 86 15.667 -0.262 1.261 639 H GLY 87 H GLY 87 15.429 -3.451 4.489 640 HA2 GLY 87 HA1 GLY 87 17.573 -3.328 6.483 641 HA3 GLY 87 HA2 GLY 87 15.880 -3.677 6.804 642 H GLU 88 H GLU 88 18.862 -5.002 5.459 643 HA GLU 88 HA GLU 88 18.064 -7.582 4.897 644 HB2 GLU 88 HB2 GLU 88 20.652 -6.397 5.820 645 HB3 GLU 88 HB3 GLU 88 20.501 -8.144 5.695 646 HG2 GLU 88 HG2 GLU 88 20.097 -8.042 3.373 647 HG3 GLU 88 HG3 GLU 88 19.852 -6.296 3.420 648 H TRP 89 H TRP 89 18.602 -6.075 7.987 649 HA TRP 89 HA TRP 89 18.674 -8.520 9.485 650 HB2 TRP 89 HB2 TRP 89 18.607 -5.610 10.138 651 HB3 TRP 89 3HB TRP 89 18.126 -6.751 11.390 652 HD1 TRP 89 HD1 TRP 89 21.133 -6.462 8.931 653 HE1 TRP 89 HE1 TRP 89 23.271 -7.050 10.239 654 HE3 TRP 89 HE3 TRP 89 19.044 -7.487 13.484 655 HZ2 TRP 89 HZ2 TRP 89 23.978 -7.843 12.855 656 HZ3 TRP 89 HZ3 TRP 89 20.521 -8.153 15.336 657 HH2 TRP 89 HH2 TRP 89 22.936 -8.327 15.025 658 H LYS 90 H LYS 90 17.013 -9.719 10.126 659 HA LYS 90 HA LYS 90 14.306 -8.587 9.902 660 HB2 LYS 90 HB2 LYS 90 15.123 -11.497 9.930 661 HB3 LYS 90 HB3 LYS 90 13.507 -10.868 9.636 662 HG2 LYS 90 HG2 LYS 90 14.300 -9.796 7.587 663 HG3 LYS 90 HG3 LYS 90 15.918 -10.437 7.881 664 HD2 LYS 90 HD2 LYS 90 13.514 -12.229 7.687 665 HD3 LYS 90 HD3 LYS 90 14.408 -11.716 6.254 666 HE2 LYS 90 HE2 LYS 90 16.130 -13.086 6.696 667 HE3 LYS 90 HE3 LYS 90 16.098 -12.726 8.421 668 HZ1 LYS 90 HZ1 LYS 90 13.964 -14.175 8.360 669 HZ2 LYS 90 HZ2 LYS 90 15.483 -14.921 8.384 670 HZ3 LYS 90 HZ3 LYS 90 14.628 -14.788 6.930 671 H ALA 91 H ALA 91 13.999 -7.703 11.907 672 HA ALA 91 HA ALA 91 14.700 -9.090 14.319 673 HB1 ALA 91 HB1 ALA 91 14.737 -6.914 14.862 674 HB2 ALA 91 HB2 ALA 91 13.580 -6.475 13.603 675 HB3 ALA 91 HB3 ALA 91 13.008 -7.133 15.137 676 H LYS 92 H LYS 92 11.679 -8.392 12.596 677 HA LYS 92 HA LYS 92 10.113 -9.898 14.508 678 HB2 LYS 92 HB2 LYS 92 9.233 -8.769 11.849 679 HB3 LYS 92 HB3 LYS 92 8.201 -9.267 13.183 680 HG2 LYS 92 HG2 LYS 92 10.060 -7.305 14.110 681 HG3 LYS 92 HG3 LYS 92 9.251 -6.713 12.657 682 HD2 LYS 92 HD2 LYS 92 7.766 -6.038 14.274 683 HD3 LYS 92 HD3 LYS 92 7.106 -7.625 13.870 684 HE2 LYS 92 HE2 LYS 92 8.846 -8.329 15.791 685 HE3 LYS 92 HE3 LYS 92 8.463 -6.693 16.325 686 HZ1 LYS 92 HZ1 LYS 92 6.964 -8.254 17.337 687 HZ2 LYS 92 HZ2 LYS 92 6.520 -8.884 15.831 688 HZ3 LYS 92 HZ3 LYS 92 6.099 -7.298 16.242 689 H ASN 93 H ASN 93 10.843 -10.177 11.029 690 HA ASN 93 HA ASN 93 10.592 -11.950 9.592 691 HB2 ASN 93 HB2 ASN 93 11.967 -13.861 10.200 692 HB3 ASN 93 3HB ASN 93 12.764 -12.376 10.711 693 HD21 ASN 93 HD21 ASN 93 12.948 -11.911 12.891 694 HD22 ASN 93 HD22 ASN 93 12.670 -13.098 14.114 695 H GLU 94 H GLU 94 8.238 -11.519 11.057 696 HA GLU 94 HA GLU 94 7.189 -14.258 11.139 697 HB2 GLU 94 HB2 GLU 94 5.719 -13.519 13.073 698 HB3 GLU 94 HB3 GLU 94 7.417 -13.785 13.443 699 HG2 GLU 94 HG2 GLU 94 7.774 -11.328 13.217 700 HG3 GLU 94 HG3 GLU 94 6.028 -11.146 13.060 701 H PHE 95 H PHE 95 6.363 -10.802 11.127 702 HA PHE 95 HA PHE 95 3.918 -11.438 9.629 703 HB2 PHE 95 HB2 PHE 95 4.622 -8.767 10.836 704 HB3 PHE 95 3HB PHE 95 3.039 -9.344 10.329 705 HD1 PHE 95 HD1 PHE 95 2.682 -11.873 11.553 706 HD2 PHE 95 HD2 PHE 95 4.669 -8.442 13.101 707 HE1 PHE 95 HE1 PHE 95 2.232 -12.650 13.844 708 HE2 PHE 95 HE2 PHE 95 4.223 -9.214 15.394 709 HZ PHE 95 HZ PHE 95 3.002 -11.321 15.768 710 H THR 96 H THR 96 6.467 -8.943 9.664 711 HA THR 96 HA THR 96 5.961 -7.826 7.183 712 HB THR 96 HB THR 96 8.822 -8.100 7.907 713 HG1 THR 96 HG1 THR 96 8.477 -6.605 9.680 714 HG21 THR 96 HG21 THR 96 8.969 -6.087 6.919 715 HG22 THR 96 HG22 THR 96 7.567 -5.458 7.785 716 HG23 THR 96 HG23 THR 96 7.344 -6.421 6.325 717 H GLN 97 H GLN 97 7.666 -10.775 7.990 718 HA GLN 97 HA GLN 97 9.034 -11.248 5.620 719 HB2 GLN 97 HB2 GLN 97 8.404 -12.699 7.963 720 HB3 GLN 97 HB3 GLN 97 7.931 -13.709 6.603 721 HG2 GLN 97 HG2 GLN 97 10.409 -12.759 5.863 722 HG3 GLN 97 HG3 GLN 97 10.570 -13.038 7.596 723 HE21 GLN 97 HE21 GLN 97 8.753 -14.717 5.059 724 HE22 GLN 97 HE22 GLN 97 9.461 -16.268 5.338 725 H ALA 98 H ALA 98 5.750 -12.308 6.505 726 HA ALA 98 HA ALA 98 5.089 -13.592 4.136 727 HB1 ALA 98 HB1 ALA 98 2.906 -12.069 5.388 728 HB2 ALA 98 HB2 ALA 98 3.029 -13.790 5.020 729 HB3 ALA 98 HB3 ALA 98 3.800 -13.140 6.467 730 H TYR 99 H TYR 99 4.743 -10.172 5.002 731 HA TYR 99 HA TYR 99 3.353 -9.262 2.791 732 HB2 TYR 99 HB2 TYR 99 5.515 -7.890 4.395 733 HB3 TYR 99 3HB TYR 99 4.504 -7.069 3.213 734 HD1 TYR 99 HD1 TYR 99 1.965 -8.717 3.944 735 HD2 TYR 99 HD2 TYR 99 4.795 -6.534 6.252 736 HE1 TYR 99 HE1 TYR 99 0.254 -8.334 5.669 737 HE2 TYR 99 HE2 TYR 99 3.093 -6.146 7.985 738 HH TYR 99 HH TYR 99 -0.189 -6.677 7.487 739 H ALA 100 H ALA 100 6.849 -9.708 3.177 740 HA ALA 100 HA ALA 100 7.609 -8.689 0.667 741 HB1 ALA 100 HB1 ALA 100 9.729 -9.801 1.036 742 HB2 ALA 100 HB2 ALA 100 9.174 -9.048 2.532 743 HB3 ALA 100 HB3 ALA 100 9.014 -10.790 2.310 744 H LYS 101 H LYS 101 6.433 -11.823 1.674 745 HA LYS 101 HA LYS 101 7.149 -13.187 -0.737 746 HB2 LYS 101 HB2 LYS 101 4.985 -14.048 1.171 747 HB3 LYS 101 HB3 LYS 101 6.002 -15.054 0.149 748 HG2 LYS 101 HG2 LYS 101 7.889 -13.893 1.667 749 HG3 LYS 101 HG3 LYS 101 6.537 -13.892 2.802 750 HD2 LYS 101 HD2 LYS 101 6.497 -16.160 2.965 751 HD3 LYS 101 HD3 LYS 101 7.024 -16.396 1.297 752 HE2 LYS 101 HE2 LYS 101 9.042 -15.138 2.990 753 HE3 LYS 101 HE3 LYS 101 8.572 -16.746 3.539 754 HZ1 LYS 101 HZ1 LYS 101 10.360 -16.175 1.556 755 HZ2 LYS 101 HZ2 LYS 101 8.973 -16.647 0.712 756 HZ3 LYS 101 HZ3 LYS 101 9.657 -17.684 1.860 757 H LEU 102 H LEU 102 4.160 -11.761 0.533 758 HA LEU 102 HA LEU 102 2.407 -12.521 -1.475 759 HB2 LEU 102 HB2 LEU 102 2.509 -10.480 0.596 760 HB3 LEU 102 3HB LEU 102 1.607 -9.957 -0.825 761 HG LEU 102 HG LEU 102 1.033 -12.490 0.708 762 HD11 LEU 102 HD11 LEU 102 -0.460 -11.401 2.021 763 HD12 LEU 102 HD12 LEU 102 -0.790 -10.159 0.813 764 HD13 LEU 102 HD13 LEU 102 0.682 -10.079 1.781 765 HD21 LEU 102 HD21 LEU 102 -1.069 -11.256 -0.891 766 HD22 LEU 102 HD22 LEU 102 -0.538 -12.937 -0.817 767 HD23 LEU 102 HD23 LEU 102 0.317 -11.785 -1.845 768 H MET 103 H MET 103 5.020 -10.296 -1.596 769 HA MET 103 HA MET 103 4.276 -8.507 -3.558 770 HB2 MET 103 HB2 MET 103 6.377 -8.226 -2.471 771 HB3 MET 103 HB3 MET 103 6.940 -9.806 -3.002 772 HG2 MET 103 HG2 MET 103 6.219 -8.116 -5.236 773 HG3 MET 103 HG3 MET 103 7.440 -7.369 -4.209 774 HE1 MET 103 HE1 MET 103 10.261 -8.298 -4.523 775 HE2 MET 103 HE2 MET 103 10.174 -8.395 -6.281 776 HE3 MET 103 HE3 MET 103 9.227 -7.184 -5.417 777 H ASN 104 H ASN 104 6.188 -11.451 -4.205 778 HA ASN 104 HA ASN 104 5.927 -11.431 -6.961 779 HB2 ASN 104 HB2 ASN 104 7.520 -12.890 -5.879 780 HB3 ASN 104 3HB ASN 104 6.228 -13.778 -5.078 781 HD21 ASN 104 HD21 ASN 104 4.826 -15.072 -6.374 782 HD22 ASN 104 HD22 ASN 104 5.377 -15.713 -7.879 783 H GLN 105 H GLN 105 3.689 -12.522 -4.519 784 HA GLN 105 HA GLN 105 2.007 -14.157 -5.989 785 HB2 GLN 105 HB2 GLN 105 1.967 -12.957 -3.464 786 HB3 GLN 105 HB3 GLN 105 0.492 -12.407 -4.247 787 HG2 GLN 105 HG2 GLN 105 1.288 -15.299 -4.143 788 HG3 GLN 105 HG3 GLN 105 0.332 -14.524 -2.881 789 HE21 GLN 105 HE21 GLN 105 -1.470 -13.063 -4.025 790 HE22 GLN 105 HE22 GLN 105 -2.450 -13.948 -5.140 791 H TYR 106 H TYR 106 1.847 -10.624 -5.607 792 HA TYR 106 HA TYR 106 0.064 -10.543 -7.952 793 HB2 TYR 106 HB2 TYR 106 -0.586 -8.251 -6.994 794 HB3 TYR 106 3HB TYR 106 -1.189 -9.679 -6.160 795 HD1 TYR 106 HD1 TYR 106 1.922 -7.595 -6.063 796 HD2 TYR 106 HD2 TYR 106 -1.178 -9.512 -3.868 797 HE1 TYR 106 HE1 TYR 106 2.912 -6.778 -3.965 798 HE2 TYR 106 HE2 TYR 106 -0.198 -8.699 -1.764 799 HH TYR 106 HH TYR 106 1.694 -6.328 -1.410 800 H ARG 107 H ARG 107 3.038 -10.553 -7.820 801 HA ARG 107 HA ARG 107 3.898 -7.900 -8.489 802 HB2 ARG 107 HB2 ARG 107 5.546 -9.284 -7.510 803 HB3 ARG 107 HB3 ARG 107 5.204 -10.609 -8.615 804 HG2 ARG 107 HG2 ARG 107 6.024 -8.234 -10.039 805 HG3 ARG 107 HG3 ARG 107 7.223 -8.724 -8.841 806 HD2 ARG 107 HD2 ARG 107 7.185 -11.005 -9.775 807 HD3 ARG 107 HD3 ARG 107 6.038 -10.465 -10.999 808 HE ARG 107 HE ARG 107 8.346 -8.843 -11.057 809 HH11 ARG 107 HH11 ARG 107 7.244 -12.041 -11.882 810 HH12 ARG 107 HH12 ARG 107 8.395 -12.251 -13.159 811 HH21 ARG 107 HH21 ARG 107 9.868 -9.107 -12.737 812 HH22 ARG 107 HH22 ARG 107 9.889 -10.582 -13.643 813 H GLY 108 H GLY 108 3.828 -6.926 -10.410 814 HA2 GLY 108 HA1 GLY 108 4.395 -7.844 -12.887 815 HA3 GLY 108 HA2 GLY 108 2.723 -8.343 -12.677 816 H ILE 109 H ILE 109 2.336 -5.875 -10.939 817 HA ILE 109 HA ILE 109 1.948 -4.008 -13.181 818 HB ILE 109 HB ILE 109 0.292 -2.913 -11.554 819 HG12 ILE 109 HG12 ILE 109 1.292 -4.545 -9.700 820 HG13 ILE 109 HG13 ILE 109 -0.382 -4.001 -9.652 821 HG21 ILE 109 HG21 ILE 109 -0.100 -5.548 -12.920 822 HG22 ILE 109 HG22 ILE 109 -1.433 -4.761 -12.077 823 HG23 ILE 109 HG23 ILE 109 -0.634 -3.943 -13.420 824 HD11 ILE 109 HD11 ILE 109 -1.153 -6.060 -10.554 825 HD12 ILE 109 HD12 ILE 109 0.494 -6.590 -10.900 826 HD13 ILE 109 HD13 ILE 109 -0.050 -6.432 -9.230 827 H TYR 110 H TYR 110 3.204 -4.328 -9.923 828 HA TYR 110 HA TYR 110 4.316 -1.607 -10.138 829 HB2 TYR 110 HB2 TYR 110 4.023 -1.260 -7.871 830 HB3 TYR 110 3HB TYR 110 2.613 -2.247 -8.242 831 HD1 TYR 110 HD1 TYR 110 2.840 -4.790 -7.848 832 HD2 TYR 110 HD2 TYR 110 5.491 -1.909 -6.183 833 HE1 TYR 110 HE1 TYR 110 3.524 -6.419 -6.137 834 HE2 TYR 110 HE2 TYR 110 6.184 -3.530 -4.467 835 HH TYR 110 HH TYR 110 6.139 -5.730 -3.888 836 H SER 111 H SER 111 6.290 -1.460 -8.503 837 HA SER 111 HA SER 111 7.947 -3.849 -8.572 838 HB2 SER 111 HB2 SER 111 8.703 -3.102 -10.630 839 HB3 SER 111 3HB SER 111 8.453 -1.404 -10.222 840 HG SER 111 HG SER 111 10.642 -3.015 -9.809 841 H PHE 112 H PHE 112 9.979 -3.565 -7.368 842 HA PHE 112 HA PHE 112 10.541 -1.294 -5.816 843 HB2 PHE 112 HB2 PHE 112 8.395 -2.892 -4.808 844 HB3 PHE 112 3HB PHE 112 9.772 -3.052 -3.721 845 HD1 PHE 112 HD1 PHE 112 10.963 -0.337 -4.034 846 HD2 PHE 112 HD2 PHE 112 6.923 -1.588 -3.557 847 HE1 PHE 112 HE1 PHE 112 10.413 1.836 -3.020 848 HE2 PHE 112 HE2 PHE 112 6.367 0.583 -2.542 849 HZ PHE 112 HZ PHE 112 8.113 2.299 -2.272 850 H GLU 113 H GLU 113 12.019 -1.920 -3.887 851 HA GLU 113 HA GLU 113 13.997 -3.744 -4.942 852 HB2 GLU 113 HB2 GLU 113 13.981 -1.482 -3.178 853 HB3 GLU 113 HB3 GLU 113 14.762 -2.836 -2.374 854 HG2 GLU 113 HG2 GLU 113 16.207 -3.097 -4.394 855 HG3 GLU 113 HG3 GLU 113 15.512 -1.598 -5.008 856 H LYS 114 H LYS 114 15.089 -5.302 -3.453 857 HA LYS 114 HA LYS 114 13.380 -7.298 -2.614 858 HB2 LYS 114 HB2 LYS 114 15.926 -7.363 -3.007 859 HB3 LYS 114 HB3 LYS 114 16.065 -6.864 -1.326 860 HG2 LYS 114 HG2 LYS 114 14.536 -8.896 -0.848 861 HG3 LYS 114 HG3 LYS 114 15.034 -9.431 -2.455 862 HD2 LYS 114 HD2 LYS 114 17.425 -9.061 -1.661 863 HD3 LYS 114 HD3 LYS 114 16.750 -8.934 -0.035 864 HE2 LYS 114 HE2 LYS 114 15.693 -11.175 -0.397 865 HE3 LYS 114 HE3 LYS 114 16.600 -11.293 -1.904 866 HZ1 LYS 114 HZ1 LYS 114 18.602 -10.785 -0.344 867 HZ2 LYS 114 HZ2 LYS 114 17.991 -12.358 -0.458 868 HZ3 LYS 114 HZ3 LYS 114 17.576 -11.384 0.861 869 H VAL 115 H VAL 115 12.650 -8.023 -0.596 870 HA VAL 115 HA VAL 115 12.819 -6.089 1.615 871 HB VAL 115 HB VAL 115 10.351 -7.004 2.056 872 HG11 VAL 115 HG11 VAL 115 9.544 -4.948 0.775 873 HG12 VAL 115 HG12 VAL 115 10.752 -4.692 2.036 874 HG13 VAL 115 HG13 VAL 115 11.235 -4.704 0.339 875 HG21 VAL 115 HG21 VAL 115 10.306 -6.771 -0.930 876 HG22 VAL 115 HG22 VAL 115 10.594 -8.327 -0.150 877 HG23 VAL 115 HG23 VAL 115 9.093 -7.454 0.153 878 H LYS 116 H LYS 116 13.075 -6.952 3.607 879 HA LYS 116 HA LYS 116 13.095 -9.893 3.792 880 HB2 LYS 116 HB2 LYS 116 14.778 -7.838 5.231 881 HB3 LYS 116 HB3 LYS 116 14.749 -9.544 5.654 882 HG2 LYS 116 HG2 LYS 116 15.581 -8.421 2.987 883 HG3 LYS 116 HG3 LYS 116 16.673 -8.973 4.259 884 HD2 LYS 116 HD2 LYS 116 14.841 -11.062 3.818 885 HD3 LYS 116 HD3 LYS 116 15.342 -10.494 2.224 886 HE2 LYS 116 HE2 LYS 116 17.661 -10.805 2.788 887 HE3 LYS 116 HE3 LYS 116 17.242 -11.208 4.453 888 HZ1 LYS 116 HZ1 LYS 116 15.798 -12.959 2.924 889 HZ2 LYS 116 HZ2 LYS 116 17.211 -13.311 3.784 890 HZ3 LYS 116 HZ3 LYS 116 17.300 -12.887 2.149 891 H ALA 117 H ALA 117 13.215 -7.391 6.301 892 HA ALA 117 HA ALA 117 10.572 -7.536 7.168 893 HB1 ALA 117 HB1 ALA 117 10.760 -9.794 7.731 894 HB2 ALA 117 HB2 ALA 117 12.386 -9.592 8.384 895 HB3 ALA 117 HB3 ALA 117 10.997 -8.951 9.262 896 H HIS 118 H HIS 118 10.367 -5.684 8.223 897 HA HIS 118 HA HIS 118 11.733 -4.978 10.542 898 HB2 HIS 118 HB2 HIS 118 13.259 -4.466 8.191 899 HB3 HIS 118 3HB HIS 118 12.754 -2.915 8.859 900 HD1 HIS 118 HD1 HIS 118 15.706 -4.211 8.858 901 HD2 HIS 118 HD2 HIS 118 13.079 -3.935 12.065 902 HE1 HIS 118 HE1 HIS 118 17.146 -4.312 10.916 903 H SER 119 H SER 119 11.117 -2.892 11.363 904 HA SER 119 HA SER 119 9.580 -1.010 9.987 905 HB2 SER 119 HB2 SER 119 7.326 -1.568 11.027 906 HB3 SER 119 3HB SER 119 7.845 -2.616 9.708 907 HG SER 119 HG SER 119 7.612 -3.158 12.436 908 H GLY 120 H GLY 120 7.980 0.107 11.777 909 HA2 GLY 120 HA1 GLY 120 7.801 0.762 14.078 910 HA3 GLY 120 HA2 GLY 120 9.450 0.206 14.324 911 H ASN 121 H ASN 121 7.582 2.642 12.529 912 HA ASN 121 HA ASN 121 9.033 4.828 13.476 913 HB2 ASN 121 HB2 ASN 121 10.461 3.382 11.509 914 HB3 ASN 121 3HB ASN 121 9.891 4.857 10.734 915 HD21 ASN 121 HD21 ASN 121 12.055 5.555 10.584 916 HD22 ASN 121 HD22 ASN 121 12.878 6.208 11.957 917 H GLU 122 H GLU 122 8.939 6.603 11.388 918 HA GLU 122 HA GLU 122 6.062 6.645 10.781 919 HB2 GLU 122 HB2 GLU 122 6.292 9.075 10.590 920 HB3 GLU 122 HB3 GLU 122 6.848 8.508 12.159 921 HG2 GLU 122 HG2 GLU 122 9.108 8.491 10.522 922 HG3 GLU 122 HG3 GLU 122 8.258 9.987 10.143 923 H PHE 123 H PHE 123 8.599 5.551 9.299 924 HA PHE 123 HA PHE 123 9.063 6.899 6.952 925 HB2 PHE 123 HB2 PHE 123 9.312 4.508 5.959 926 HB3 PHE 123 3HB PHE 123 10.387 5.008 7.260 927 HD1 PHE 123 HD1 PHE 123 7.126 3.290 6.716 928 HD2 PHE 123 HD2 PHE 123 10.646 3.630 9.086 929 HE1 PHE 123 HE1 PHE 123 6.418 1.341 8.041 930 HE2 PHE 123 HE2 PHE 123 9.944 1.681 10.414 931 HZ PHE 123 HZ PHE 123 7.828 0.533 9.891 932 H ASN 124 H ASN 124 6.231 5.117 7.897 933 HA ASN 124 HA ASN 124 5.108 4.926 5.270 934 HB2 ASN 124 HB2 ASN 124 3.074 4.181 6.420 935 HB3 ASN 124 3HB ASN 124 4.491 3.343 7.046 936 HD21 ASN 124 HD21 ASN 124 5.270 3.878 9.106 937 HD22 ASN 124 HD22 ASN 124 4.270 4.676 10.268 938 H ASP 125 H ASP 125 4.695 7.094 8.031 939 HA ASP 125 HA ASP 125 2.541 8.593 7.149 940 HB2 ASP 125 HB2 ASP 125 4.795 9.030 9.006 941 HB3 ASP 125 3HB ASP 125 4.025 10.492 8.397 942 H TYR 126 H TYR 126 5.790 8.527 5.984 943 HA TYR 126 HA TYR 126 6.095 11.020 4.836 944 HB2 TYR 126 HB2 TYR 126 7.976 9.641 4.719 945 HB3 TYR 126 3HB TYR 126 7.064 8.287 4.057 946 HD1 TYR 126 HD1 TYR 126 6.403 8.292 1.669 947 HD2 TYR 126 HD2 TYR 126 8.924 11.308 3.297 948 HE1 TYR 126 HE1 TYR 126 7.099 8.929 -0.603 949 HE2 TYR 126 HE2 TYR 126 9.626 11.954 1.030 950 HH TYR 126 HH TYR 126 9.720 10.615 -1.320 951 H VAL 127 H VAL 127 4.310 8.227 3.637 952 HA VAL 127 HA VAL 127 3.766 9.084 1.048 953 HB VAL 127 HB VAL 127 1.847 7.601 1.069 954 HG11 VAL 127 HG11 VAL 127 4.106 6.625 0.948 955 HG12 VAL 127 HG12 VAL 127 4.098 6.429 2.702 956 HG13 VAL 127 HG13 VAL 127 2.945 5.537 1.709 957 HG21 VAL 127 HG21 VAL 127 1.808 8.261 3.860 958 HG22 VAL 127 HG22 VAL 127 0.578 7.454 2.888 959 HG23 VAL 127 HG23 VAL 127 1.853 6.510 3.657 960 H ASP 128 H ASP 128 2.572 10.256 4.054 961 HA ASP 128 HA ASP 128 0.116 11.352 3.241 962 HB2 ASP 128 HB2 ASP 128 2.034 12.263 5.395 963 HB3 ASP 128 3HB ASP 128 0.387 12.859 5.208 964 H MET 129 H MET 129 3.350 12.828 3.431 965 HA MET 129 HA MET 129 2.501 15.309 2.312 966 HB2 MET 129 HB2 MET 129 4.570 14.805 3.787 967 HB3 MET 129 HB3 MET 129 5.342 14.332 2.280 968 HG2 MET 129 HG2 MET 129 5.171 16.501 1.390 969 HG3 MET 129 HG3 MET 129 4.036 17.007 2.639 970 HE1 MET 129 HE1 MET 129 7.159 14.824 3.788 971 HE2 MET 129 HE2 MET 129 7.521 15.420 2.168 972 HE3 MET 129 HE3 MET 129 8.440 16.014 3.551 973 H LYS 130 H LYS 130 4.115 12.435 1.026 974 HA LYS 130 HA LYS 130 4.631 13.415 -1.553 975 HB2 LYS 130 HB2 LYS 130 5.087 11.050 -0.198 976 HB3 LYS 130 HB3 LYS 130 3.961 10.571 -1.462 977 HG2 LYS 130 HG2 LYS 130 6.542 12.050 -1.929 978 HG3 LYS 130 HG3 LYS 130 6.322 10.308 -2.113 979 HD2 LYS 130 HD2 LYS 130 5.829 10.781 -4.247 980 HD3 LYS 130 HD3 LYS 130 4.269 11.319 -3.619 981 HE2 LYS 130 HE2 LYS 130 4.813 13.226 -4.700 982 HE3 LYS 130 HE3 LYS 130 5.717 13.547 -3.221 983 HZ1 LYS 130 HZ1 LYS 130 6.862 13.763 -5.526 984 HZ2 LYS 130 HZ2 LYS 130 7.020 12.083 -5.410 985 HZ3 LYS 130 HZ3 LYS 130 7.706 13.080 -4.229 986 H ALA 131 H ALA 131 1.930 11.391 -0.401 987 HA ALA 131 HA ALA 131 0.490 11.241 -2.758 988 HB1 ALA 131 HB1 ALA 131 -0.368 11.212 0.117 989 HB2 ALA 131 HB2 ALA 131 -1.531 11.039 -1.199 990 HB3 ALA 131 HB3 ALA 131 -0.229 9.864 -1.012 991 H LYS 132 H LYS 132 0.660 13.842 -0.409 992 HA LYS 132 HA LYS 132 -1.536 15.362 -1.109 993 HB2 LYS 132 HB2 LYS 132 0.843 15.734 0.392 994 HB3 LYS 132 HB3 LYS 132 0.686 17.117 -0.684 995 HG2 LYS 132 HG2 LYS 132 -1.843 16.916 0.269 996 HG3 LYS 132 HG3 LYS 132 -0.907 16.352 1.655 997 HD2 LYS 132 HD2 LYS 132 0.523 18.419 1.360 998 HD3 LYS 132 HD3 LYS 132 -0.698 18.991 0.222 999 HE2 LYS 132 HE2 LYS 132 -1.252 19.960 2.299 1000 HE3 LYS 132 HE3 LYS 132 -2.391 18.633 2.071 1001 HZ1 LYS 132 HZ1 LYS 132 -1.760 18.056 4.122 1002 HZ2 LYS 132 HZ2 LYS 132 -0.342 18.975 4.072 1003 HZ3 LYS 132 HZ3 LYS 132 -0.374 17.432 3.381 1004 H SER 133 H SER 133 1.493 14.945 -2.797 1005 HA SER 133 HA SER 133 1.113 17.131 -4.605 1006 HB2 SER 133 HB2 SER 133 2.911 14.721 -4.943 1007 HB3 SER 133 3HB SER 133 3.052 16.271 -5.772 1008 HG SER 133 HG SER 133 3.504 15.687 -3.042 1009 H ALA 134 H ALA 134 0.390 13.694 -4.626 1010 HA ALA 134 HA ALA 134 -0.208 13.365 -7.335 1011 HB1 ALA 134 HB1 ALA 134 -0.024 11.612 -5.453 1012 HB2 ALA 134 HB2 ALA 134 -1.738 11.938 -5.192 1013 HB3 ALA 134 HB3 ALA 134 -1.183 11.337 -6.754 1014 H LEU 135 H LEU 135 -2.137 14.642 -4.689 1015 HA LEU 135 HA LEU 135 -4.583 14.727 -6.170 1016 HB2 LEU 135 HB2 LEU 135 -4.021 16.467 -3.805 1017 HB3 LEU 135 3HB LEU 135 -5.534 15.708 -4.295 1018 HG LEU 135 HG LEU 135 -3.162 14.364 -3.007 1019 HD11 LEU 135 HD11 LEU 135 -5.456 13.852 -1.559 1020 HD12 LEU 135 HD12 LEU 135 -5.622 15.545 -2.024 1021 HD13 LEU 135 HD13 LEU 135 -4.191 15.009 -1.144 1022 HD21 LEU 135 HD21 LEU 135 -4.047 12.822 -4.593 1023 HD22 LEU 135 HD22 LEU 135 -5.706 13.210 -4.137 1024 HD23 LEU 135 HD23 LEU 135 -4.656 12.353 -3.006 1025 H GLY 136 H GLY 136 -2.490 17.348 -4.933 1026 HA2 GLY 136 HA1 GLY 136 -1.754 18.931 -6.773 1027 HA3 GLY 136 HA2 GLY 136 -3.465 19.017 -7.164 1028 H ILE 137 H ILE 137 -1.993 18.956 -3.951 1029 HA ILE 137 HA ILE 137 -3.555 21.178 -3.087 1030 HB ILE 137 HB ILE 137 -1.146 20.060 -1.662 1031 HG12 ILE 137 HG12 ILE 137 -2.573 18.184 -2.255 1032 HG13 ILE 137 HG13 ILE 137 -2.725 18.517 -0.532 1033 HG21 ILE 137 HG21 ILE 137 -1.738 21.809 -0.359 1034 HG22 ILE 137 HG22 ILE 137 -3.391 21.846 -0.971 1035 HG23 ILE 137 HG23 ILE 137 -2.930 20.661 0.250 1036 HD11 ILE 137 HD11 ILE 137 -4.761 18.333 -2.469 1037 HD12 ILE 137 HD12 ILE 137 -4.912 18.705 -0.752 1038 HD13 ILE 137 HD13 ILE 137 -4.706 20.008 -1.922 1039 H ARG 138 H ARG 138 -2.799 23.220 -2.350 1040 HA ARG 138 HA ARG 138 -0.578 24.231 -3.953 1041 HB2 ARG 138 HB2 ARG 138 -3.089 25.281 -3.093 1042 HB3 ARG 138 HB3 ARG 138 -1.813 26.303 -2.446 1043 HG2 ARG 138 HG2 ARG 138 -1.166 25.758 -5.142 1044 HG3 ARG 138 HG3 ARG 138 -2.869 26.217 -5.082 1045 HD2 ARG 138 HD2 ARG 138 -1.876 28.088 -3.459 1046 HD3 ARG 138 HD3 ARG 138 -0.444 27.797 -4.446 1047 HE ARG 138 HE ARG 138 -2.805 29.180 -5.229 1048 HH11 ARG 138 HH11 ARG 138 -0.269 27.108 -6.410 1049 HH12 ARG 138 HH12 ARG 138 -0.382 27.680 -8.041 1050 HH21 ARG 138 HH21 ARG 138 -2.963 29.942 -7.374 1051 HH22 ARG 138 HH22 ARG 138 -1.914 29.293 -8.588 1052 H ASP 139 H ASP 139 0.836 25.916 -2.920 1053 HA ASP 139 HA ASP 139 1.210 26.123 -0.162 1054 HB2 ASP 139 HB2 ASP 139 1.966 23.605 -1.029 1055 HB3 ASP 139 3HB ASP 139 3.487 24.492 -0.985 1056 H LEU 140 H LEU 140 3.862 26.492 0.150 1057 HA LEU 140 HA LEU 140 4.493 28.517 -1.895 1058 HB2 LEU 140 HB2 LEU 140 4.231 28.770 0.867 1059 HB3 LEU 140 3HB LEU 140 5.969 28.785 0.577 1060 HG LEU 140 HG LEU 140 4.522 30.544 -1.234 1061 HD11 LEU 140 HD11 LEU 140 4.302 31.013 1.734 1062 HD12 LEU 140 HD12 LEU 140 2.982 30.832 0.580 1063 HD13 LEU 140 HD13 LEU 140 4.030 32.248 0.505 1064 HD21 LEU 140 HD21 LEU 140 6.231 32.119 0.049 1065 HD22 LEU 140 HD22 LEU 140 6.754 30.988 -1.198 1066 HD23 LEU 140 HD23 LEU 140 6.927 30.564 0.505 1067 H GLU 141 H GLU 141 7.035 29.057 -1.598 1068 HA GLU 141 HA GLU 141 8.371 26.798 -2.674 1069 HB2 GLU 141 HB2 GLU 141 8.990 29.616 -2.155 1070 HB3 GLU 141 HB3 GLU 141 10.379 28.550 -1.999 1071 HG2 GLU 141 HG2 GLU 141 8.618 28.354 -4.399 1072 HG3 GLU 141 HG3 GLU 141 9.822 29.637 -4.287 1073 H HIS 142 H HIS 142 9.495 28.712 0.104 1074 HA HIS 142 HA HIS 142 10.455 28.119 2.079 1075 HB2 HIS 142 HB2 HIS 142 8.303 26.300 1.701 1076 HB3 HIS 142 3HB HIS 142 9.660 25.386 2.355 1077 HD1 HIS 142 HD1 HIS 142 6.929 26.215 3.848 1078 HD2 HIS 142 HD2 HIS 142 10.685 27.917 4.351 1079 HE1 HIS 142 HE1 HIS 142 6.892 27.263 6.134 1080 H HIS 143 H HIS 143 12.108 26.707 3.049 1081 HA HIS 143 HA HIS 143 13.356 24.601 1.702 1082 HB2 HIS 143 HB2 HIS 143 15.433 25.842 0.942 1083 HB3 HIS 143 3HB HIS 143 13.993 26.087 -0.041 1084 HD1 HIS 143 HD1 HIS 143 16.564 27.891 1.786 1085 HD2 HIS 143 HD2 HIS 143 12.683 28.650 0.514 1086 HE1 HIS 143 HE1 HIS 143 16.296 30.389 1.898 1087 H HIS 144 H HIS 144 13.428 23.871 3.842 1088 HA HIS 144 HA HIS 144 15.618 25.032 5.422 1089 HB2 HIS 144 HB2 HIS 144 13.304 25.657 6.295 1090 HB3 HIS 144 3HB HIS 144 13.101 23.953 6.688 1091 HD1 HIS 144 HD1 HIS 144 13.235 23.945 9.175 1092 HD2 HIS 144 HD2 HIS 144 16.308 26.141 7.443 1093 HE1 HIS 144 HE1 HIS 144 14.760 24.578 11.071 1094 H HIS 145 H HIS 145 16.848 23.574 6.609 1095 HA HIS 145 HA HIS 145 16.235 20.877 7.042 1096 HB2 HIS 145 HB2 HIS 145 17.810 19.854 5.370 1097 HB3 HIS 145 3HB HIS 145 16.345 20.535 4.672 1098 HD1 HIS 145 HD1 HIS 145 16.606 22.484 3.054 1099 HD2 HIS 145 HD2 HIS 145 20.188 21.292 4.790 1100 HE1 HIS 145 HE1 HIS 145 18.407 23.678 1.768 1101 H HIS 146 H HIS 146 17.847 19.802 8.199 1102 HA HIS 146 HA HIS 146 20.525 20.611 8.393 1103 HB2 HIS 146 HB2 HIS 146 18.802 22.364 9.736 1104 HB3 HIS 146 3HB HIS 146 19.500 21.352 10.998 1105 HD1 HIS 146 HD1 HIS 146 20.957 23.069 7.918 1106 HD2 HIS 146 HD2 HIS 146 21.678 22.590 11.981 1107 HE1 HIS 146 HE1 HIS 146 23.075 24.344 8.379 1108 H HIS 147 H HIS 147 21.717 19.401 9.964 1109 HA HIS 147 HA HIS 147 20.363 17.532 11.677 1110 HB2 HIS 147 HB2 HIS 147 20.375 16.587 9.239 1111 HB3 HIS 147 3HB HIS 147 22.072 16.256 9.569 1112 HD1 HIS 147 HD1 HIS 147 19.015 15.760 11.784 1113 HD2 HIS 147 HD2 HIS 147 22.153 13.608 10.115 1114 HE1 HIS 147 HE1 HIS 147 18.790 13.426 12.695 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -8.281 2.856 -19.081 2 HA MET 1 HA MET 1 -6.608 1.307 -18.893 3 HB2 MET 1 HB2 MET 1 -6.002 2.697 -21.495 4 HB3 MET 1 HB3 MET 1 -5.080 1.301 -20.953 5 HG2 MET 1 HG2 MET 1 -7.191 0.012 -20.843 6 HG3 MET 1 HG3 MET 1 -8.031 1.405 -21.523 7 HE1 MET 1 HE1 MET 1 -5.202 -1.535 -23.435 8 HE2 MET 1 HE2 MET 1 -4.325 -0.056 -23.042 9 HE3 MET 1 HE3 MET 1 -5.182 -0.937 -21.776 10 H ASP 2 H ASP 2 -5.387 4.541 -19.615 11 HA ASP 2 HA ASP 2 -2.943 3.916 -18.104 12 HB2 ASP 2 HB2 ASP 2 -3.544 6.038 -20.163 13 HB3 ASP 2 3HB ASP 2 -2.097 6.073 -19.158 14 H ASP 3 H ASP 3 -2.058 5.783 -16.817 15 HA ASP 3 HA ASP 3 -4.179 7.446 -15.656 16 HB2 ASP 3 HB2 ASP 3 -3.733 6.818 -13.457 17 HB3 ASP 3 3HB ASP 3 -3.621 5.287 -14.319 18 H ARG 4 H ARG 4 -2.751 8.711 -13.703 19 HA ARG 4 HA ARG 4 -0.216 9.642 -14.655 20 HB2 ARG 4 HB2 ARG 4 -0.801 11.875 -15.248 21 HB3 ARG 4 HB3 ARG 4 -1.860 10.810 -16.162 22 HG2 ARG 4 HG2 ARG 4 -3.564 11.184 -14.303 23 HG3 ARG 4 HG3 ARG 4 -2.523 12.514 -13.788 24 HD2 ARG 4 HD2 ARG 4 -3.375 12.324 -16.643 25 HD3 ARG 4 HD3 ARG 4 -4.502 12.947 -15.440 26 HE ARG 4 HE ARG 4 -2.096 14.297 -15.101 27 HH11 ARG 4 HH11 ARG 4 -4.573 13.953 -17.523 28 HH12 ARG 4 HH12 ARG 4 -4.331 15.536 -18.183 29 HH21 ARG 4 HH21 ARG 4 -1.768 16.384 -15.962 30 HH22 ARG 4 HH22 ARG 4 -2.735 16.918 -17.294 31 H THR 5 H THR 5 -1.372 8.562 -12.229 32 HA THR 5 HA THR 5 -1.954 10.359 -10.231 33 HB THR 5 HB THR 5 -0.692 8.699 -8.698 34 HG1 THR 5 HG1 THR 5 0.571 7.869 -10.537 35 HG21 THR 5 HG21 THR 5 -2.480 7.001 -8.981 36 HG22 THR 5 HG22 THR 5 -2.958 7.800 -10.480 37 HG23 THR 5 HG23 THR 5 -3.097 8.652 -8.942 38 H GLU 6 H GLU 6 -0.673 11.317 -8.551 39 HA GLU 6 HA GLU 6 1.409 12.904 -9.414 40 HB2 GLU 6 HB2 GLU 6 0.112 12.335 -6.915 41 HB3 GLU 6 HB3 GLU 6 1.847 12.457 -6.657 42 HG2 GLU 6 HG2 GLU 6 0.012 14.525 -7.828 43 HG3 GLU 6 HG3 GLU 6 0.920 14.610 -6.320 44 H TYR 7 H TYR 7 1.924 10.322 -7.017 45 HA TYR 7 HA TYR 7 4.021 9.077 -8.482 46 HB2 TYR 7 HB2 TYR 7 4.703 11.260 -6.623 47 HB3 TYR 7 3HB TYR 7 5.624 9.777 -6.394 48 HD1 TYR 7 HD1 TYR 7 6.169 8.737 -8.964 49 HD2 TYR 7 HD2 TYR 7 5.921 12.822 -7.797 50 HE1 TYR 7 HE1 TYR 7 7.638 9.356 -10.838 51 HE2 TYR 7 HE2 TYR 7 7.387 13.451 -9.668 52 HH TYR 7 HH TYR 7 8.736 12.689 -11.288 53 H ASP 8 H ASP 8 3.487 9.770 -5.024 54 HA ASP 8 HA ASP 8 3.565 6.907 -4.471 55 HB2 ASP 8 HB2 ASP 8 4.921 8.334 -3.044 56 HB3 ASP 8 3HB ASP 8 3.510 9.300 -2.621 57 H VAL 9 H VAL 9 1.947 5.884 -3.152 58 HA VAL 9 HA VAL 9 -0.729 6.942 -3.706 59 HB VAL 9 HB VAL 9 0.214 4.177 -2.955 60 HG11 VAL 9 HG11 VAL 9 -2.333 3.734 -3.539 61 HG12 VAL 9 HG12 VAL 9 -1.807 4.124 -1.899 62 HG13 VAL 9 HG13 VAL 9 -2.502 5.379 -2.926 63 HG21 VAL 9 HG21 VAL 9 -1.400 4.715 -5.373 64 HG22 VAL 9 HG22 VAL 9 0.255 5.326 -5.377 65 HG23 VAL 9 HG23 VAL 9 -0.049 3.606 -5.132 66 H TYR 10 H TYR 10 -2.258 7.257 -2.123 67 HA TYR 10 HA TYR 10 -1.297 7.923 0.469 68 HB2 TYR 10 HB2 TYR 10 -3.128 9.178 -0.493 69 HB3 TYR 10 3HB TYR 10 -4.108 7.723 -0.628 70 HD1 TYR 10 HD1 TYR 10 -2.320 9.737 1.962 71 HD2 TYR 10 HD2 TYR 10 -5.678 7.302 1.015 72 HE1 TYR 10 HE1 TYR 10 -3.257 10.170 4.195 73 HE2 TYR 10 HE2 TYR 10 -6.624 7.729 3.245 74 HH TYR 10 HH TYR 10 -4.909 9.750 5.612 75 H THR 11 H THR 11 -0.381 5.855 1.081 76 HA THR 11 HA THR 11 -2.413 3.953 2.055 77 HB THR 11 HB THR 11 -0.324 2.364 2.106 78 HG1 THR 11 HG1 THR 11 1.082 4.142 1.395 79 HG21 THR 11 HG21 THR 11 -1.092 2.704 -0.693 80 HG22 THR 11 HG22 THR 11 -2.465 2.681 0.414 81 HG23 THR 11 HG23 THR 11 -1.330 1.331 0.388 82 H ASP 12 H ASP 12 -1.309 2.532 3.890 83 HA ASP 12 HA ASP 12 -0.788 2.509 6.109 84 HB2 ASP 12 HB2 ASP 12 1.342 4.553 5.678 85 HB3 ASP 12 3HB ASP 12 1.404 3.039 6.576 86 H GLY 13 H GLY 13 -2.736 4.497 5.217 87 HA2 GLY 13 HA1 GLY 13 -2.486 6.331 7.508 88 HA3 GLY 13 HA2 GLY 13 -2.920 6.958 5.924 89 H SER 14 H SER 14 -3.954 4.772 8.501 90 HA SER 14 HA SER 14 -6.610 5.640 8.487 91 HB2 SER 14 HB2 SER 14 -7.670 3.530 7.552 92 HB3 SER 14 3HB SER 14 -6.929 4.600 6.362 93 HG SER 14 HG SER 14 -5.340 2.593 7.466 94 H TYR 15 H TYR 15 -6.713 5.487 10.644 95 HA TYR 15 HA TYR 15 -6.955 2.898 11.851 96 HB2 TYR 15 HB2 TYR 15 -5.170 3.286 13.560 97 HB3 TYR 15 3HB TYR 15 -4.552 3.015 11.934 98 HD1 TYR 15 HD1 TYR 15 -3.496 4.819 10.686 99 HD2 TYR 15 HD2 TYR 15 -4.962 5.453 14.630 100 HE1 TYR 15 HE1 TYR 15 -2.220 6.918 10.816 101 HE2 TYR 15 HE2 TYR 15 -3.689 7.553 14.771 102 HH TYR 15 HH TYR 15 -1.762 8.723 12.027 103 H VAL 16 H VAL 16 -7.486 3.072 14.194 104 HA VAL 16 HA VAL 16 -8.460 5.711 15.006 105 HB VAL 16 HB VAL 16 -10.430 4.840 14.024 106 HG11 VAL 16 HG11 VAL 16 -9.919 2.272 15.523 107 HG12 VAL 16 HG12 VAL 16 -11.316 2.612 14.499 108 HG13 VAL 16 HG13 VAL 16 -9.703 2.520 13.791 109 HG21 VAL 16 HG21 VAL 16 -10.608 4.199 16.965 110 HG22 VAL 16 HG22 VAL 16 -10.692 5.822 16.282 111 HG23 VAL 16 HG23 VAL 16 -11.940 4.639 15.897 112 H ASN 17 H ASN 17 -7.852 6.111 17.022 113 HA ASN 17 HA ASN 17 -7.199 5.844 19.183 114 HB2 ASN 17 HB2 ASN 17 -9.287 4.868 19.698 115 HB3 ASN 17 3HB ASN 17 -8.900 3.383 18.832 116 HD21 ASN 17 HD21 ASN 17 -9.419 2.154 20.653 117 HD22 ASN 17 HD22 ASN 17 -8.359 2.056 22.014 118 H GLY 18 H GLY 18 -7.168 2.389 18.425 119 HA2 GLY 18 HA1 GLY 18 -4.245 2.434 18.244 120 HA3 GLY 18 HA2 GLY 18 -4.968 1.488 19.536 121 H GLN 19 H GLN 19 -6.751 1.663 16.614 122 HA GLN 19 HA GLN 19 -6.232 -1.162 16.136 123 HB2 GLN 19 HB2 GLN 19 -8.453 0.628 15.740 124 HB3 GLN 19 HB3 GLN 19 -8.062 -0.185 14.230 125 HG2 GLN 19 HG2 GLN 19 -8.119 -2.349 15.529 126 HG3 GLN 19 HG3 GLN 19 -8.818 -1.424 16.857 127 HE21 GLN 19 HE21 GLN 19 -9.267 -2.226 13.449 128 HE22 GLN 19 HE22 GLN 19 -10.992 -2.141 13.472 129 H TYR 20 H TYR 20 -6.541 -1.580 13.545 130 HA TYR 20 HA TYR 20 -4.662 0.166 12.123 131 HB2 TYR 20 HB2 TYR 20 -3.304 -1.633 11.383 132 HB3 TYR 20 3HB TYR 20 -3.495 -1.861 13.118 133 HD1 TYR 20 HD1 TYR 20 -5.013 -3.631 13.971 134 HD2 TYR 20 HD2 TYR 20 -4.132 -3.240 9.827 135 HE1 TYR 20 HE1 TYR 20 -5.841 -5.915 13.587 136 HE2 TYR 20 HE2 TYR 20 -4.957 -5.523 9.431 137 HH TYR 20 HH TYR 20 -5.752 -7.379 10.351 138 H ALA 21 H ALA 21 -5.184 0.538 10.045 139 HA ALA 21 HA ALA 21 -7.149 -1.212 8.744 140 HB1 ALA 21 HB1 ALA 21 -8.639 0.458 8.241 141 HB2 ALA 21 HB2 ALA 21 -8.093 0.972 9.838 142 HB3 ALA 21 HB3 ALA 21 -7.430 1.734 8.392 143 H TRP 22 H TRP 22 -7.191 -1.029 6.420 144 HA TRP 22 HA TRP 22 -4.727 0.135 5.300 145 HB2 TRP 22 HB2 TRP 22 -4.688 -1.760 3.693 146 HB3 TRP 22 3HB TRP 22 -4.485 -2.275 5.366 147 HD1 TRP 22 HD1 TRP 22 -6.376 -3.797 6.422 148 HE1 TRP 22 HE1 TRP 22 -8.356 -5.086 5.401 149 HE3 TRP 22 HE3 TRP 22 -6.462 -1.621 1.797 150 HZ2 TRP 22 HZ2 TRP 22 -9.766 -5.170 2.957 151 HZ3 TRP 22 HZ3 TRP 22 -8.157 -2.364 0.176 152 HH2 TRP 22 HH2 TRP 22 -9.774 -4.102 0.746 153 H ALA 23 H ALA 23 -4.980 1.460 3.611 154 HA ALA 23 HA ALA 23 -7.185 1.214 1.782 155 HB1 ALA 23 HB1 ALA 23 -8.411 3.098 2.290 156 HB2 ALA 23 HB2 ALA 23 -7.992 2.503 3.897 157 HB3 ALA 23 HB3 ALA 23 -7.090 3.845 3.191 158 H TYR 24 H TYR 24 -6.861 2.340 -0.129 159 HA TYR 24 HA TYR 24 -4.477 4.039 -0.306 160 HB2 TYR 24 HB2 TYR 24 -3.864 2.878 -2.443 161 HB3 TYR 24 3HB TYR 24 -3.672 1.888 -1.000 162 HD1 TYR 24 HD1 TYR 24 -5.737 0.372 -0.406 163 HD2 TYR 24 HD2 TYR 24 -4.977 1.989 -4.268 164 HE1 TYR 24 HE1 TYR 24 -7.150 -1.374 -1.410 165 HE2 TYR 24 HE2 TYR 24 -6.390 0.249 -5.281 166 HH TYR 24 HH TYR 24 -8.393 -1.820 -3.395 167 H ALA 25 H ALA 25 -4.366 4.954 -2.667 168 HA ALA 25 HA ALA 25 -7.030 6.043 -3.235 169 HB1 ALA 25 HB1 ALA 25 -4.252 7.055 -3.653 170 HB2 ALA 25 HB2 ALA 25 -5.574 7.685 -4.636 171 HB3 ALA 25 HB3 ALA 25 -5.630 7.840 -2.880 172 H PHE 26 H PHE 26 -7.878 6.094 -5.320 173 HA PHE 26 HA PHE 26 -6.482 4.462 -7.331 174 HB2 PHE 26 HB2 PHE 26 -9.382 4.261 -7.500 175 HB3 PHE 26 3HB PHE 26 -8.168 2.987 -7.495 176 HD1 PHE 26 HD1 PHE 26 -7.077 2.530 -5.135 177 HD2 PHE 26 HD2 PHE 26 -10.870 4.361 -5.756 178 HE1 PHE 26 HE1 PHE 26 -7.754 1.893 -2.857 179 HE2 PHE 26 HE2 PHE 26 -11.552 3.727 -3.479 180 HZ PHE 26 HZ PHE 26 -9.994 2.492 -2.025 181 H VAL 27 H VAL 27 -6.617 5.155 -9.420 182 HA VAL 27 HA VAL 27 -8.471 7.265 -10.153 183 HB VAL 27 HB VAL 27 -5.509 7.696 -9.957 184 HG11 VAL 27 HG11 VAL 27 -6.174 9.841 -11.367 185 HG12 VAL 27 HG12 VAL 27 -5.631 8.350 -12.138 186 HG13 VAL 27 HG13 VAL 27 -7.354 8.720 -12.046 187 HG21 VAL 27 HG21 VAL 27 -6.897 8.518 -8.144 188 HG22 VAL 27 HG22 VAL 27 -6.230 9.871 -9.057 189 HG23 VAL 27 HG23 VAL 27 -7.912 9.394 -9.290 190 H LYS 28 H LYS 28 -9.061 7.122 -12.237 191 HA LYS 28 HA LYS 28 -7.386 5.521 -14.051 192 HB2 LYS 28 HB2 LYS 28 -10.349 5.327 -13.563 193 HB3 LYS 28 HB3 LYS 28 -9.630 4.773 -15.069 194 HG2 LYS 28 HG2 LYS 28 -8.301 3.757 -12.672 195 HG3 LYS 28 HG3 LYS 28 -9.983 3.251 -12.841 196 HD2 LYS 28 HD2 LYS 28 -8.672 3.044 -15.376 197 HD3 LYS 28 HD3 LYS 28 -7.711 2.210 -14.153 198 HE2 LYS 28 HE2 LYS 28 -9.477 0.772 -13.590 199 HE3 LYS 28 HE3 LYS 28 -10.674 1.792 -14.386 200 HZ1 LYS 28 HZ1 LYS 28 -10.427 0.567 -16.195 201 HZ2 LYS 28 HZ2 LYS 28 -9.223 -0.362 -15.457 202 HZ3 LYS 28 HZ3 LYS 28 -8.806 1.039 -16.308 203 H ASP 29 H ASP 29 -7.090 6.337 -16.051 204 HA ASP 29 HA ASP 29 -7.187 7.751 -17.833 205 HB2 ASP 29 HB2 ASP 29 -9.783 7.214 -17.349 206 HB3 ASP 29 3HB ASP 29 -9.787 8.952 -17.058 207 H GLY 30 H GLY 30 -6.631 8.600 -14.866 208 HA2 GLY 30 HA1 GLY 30 -5.423 10.489 -14.177 209 HA3 GLY 30 HA2 GLY 30 -6.029 11.361 -15.577 210 H LYS 31 H LYS 31 -8.273 9.612 -13.617 211 HA LYS 31 HA LYS 31 -8.958 11.937 -12.014 212 HB2 LYS 31 HB2 LYS 31 -11.368 11.783 -12.764 213 HB3 LYS 31 HB3 LYS 31 -10.248 12.462 -13.938 214 HG2 LYS 31 HG2 LYS 31 -10.117 10.116 -14.922 215 HG3 LYS 31 HG3 LYS 31 -11.536 9.754 -13.934 216 HD2 LYS 31 HD2 LYS 31 -12.510 10.398 -15.924 217 HD3 LYS 31 HD3 LYS 31 -12.497 11.920 -15.032 218 HE2 LYS 31 HE2 LYS 31 -10.372 12.508 -16.168 219 HE3 LYS 31 HE3 LYS 31 -10.512 11.033 -17.122 220 HZ1 LYS 31 HZ1 LYS 31 -11.490 13.426 -17.853 221 HZ2 LYS 31 HZ2 LYS 31 -12.860 12.708 -17.172 222 HZ3 LYS 31 HZ3 LYS 31 -12.050 11.944 -18.444 223 H VAL 32 H VAL 32 -10.588 11.454 -10.376 224 HA VAL 32 HA VAL 32 -10.105 9.092 -9.001 225 HB VAL 32 HB VAL 32 -12.608 10.770 -8.790 226 HG11 VAL 32 HG11 VAL 32 -11.251 8.934 -6.818 227 HG12 VAL 32 HG12 VAL 32 -12.646 9.959 -6.469 228 HG13 VAL 32 HG13 VAL 32 -12.787 8.643 -7.636 229 HG21 VAL 32 HG21 VAL 32 -11.077 11.626 -6.763 230 HG22 VAL 32 HG22 VAL 32 -9.818 11.246 -7.938 231 HG23 VAL 32 HG23 VAL 32 -11.091 12.394 -8.350 232 H HIS 33 H HIS 33 -10.845 7.072 -9.148 233 HA HIS 33 HA HIS 33 -13.028 6.539 -11.042 234 HB2 HIS 33 HB2 HIS 33 -10.752 5.497 -11.425 235 HB3 HIS 33 3HB HIS 33 -11.030 4.544 -9.971 236 HD1 HIS 33 HD1 HIS 33 -13.449 5.271 -12.811 237 HD2 HIS 33 HD2 HIS 33 -11.543 2.073 -10.966 238 HE1 HIS 33 HE1 HIS 33 -14.396 3.208 -13.894 239 H TYR 34 H TYR 34 -11.741 5.364 -7.932 240 HA TYR 34 HA TYR 34 -14.512 4.830 -7.098 241 HB2 TYR 34 HB2 TYR 34 -12.104 3.061 -6.626 242 HB3 TYR 34 3HB TYR 34 -13.675 2.830 -5.866 243 HD1 TYR 34 HD1 TYR 34 -15.433 3.462 -8.216 244 HD2 TYR 34 HD2 TYR 34 -11.904 1.103 -7.912 245 HE1 TYR 34 HE1 TYR 34 -16.170 2.120 -10.142 246 HE2 TYR 34 HE2 TYR 34 -12.631 -0.245 -9.836 247 HH TYR 34 HH TYR 34 -15.168 0.688 -11.878 248 H GLU 35 H GLU 35 -14.217 4.132 -4.543 249 HA GLU 35 HA GLU 35 -12.326 5.626 -3.062 250 HB2 GLU 35 HB2 GLU 35 -14.044 7.238 -2.075 251 HB3 GLU 35 HB3 GLU 35 -13.432 7.606 -3.682 252 HG2 GLU 35 HG2 GLU 35 -15.455 7.487 -4.582 253 HG3 GLU 35 HG3 GLU 35 -15.801 5.951 -3.790 254 H ASP 36 H ASP 36 -12.079 4.132 -1.529 255 HA ASP 36 HA ASP 36 -14.064 3.697 0.432 256 HB2 ASP 36 HB2 ASP 36 -14.086 1.111 -0.040 257 HB3 ASP 36 3HB ASP 36 -15.217 2.176 -0.870 258 H ALA 37 H ALA 37 -13.336 1.564 1.760 259 HA ALA 37 HA ALA 37 -10.558 0.967 1.751 260 HB1 ALA 37 HB1 ALA 37 -9.934 2.076 3.846 261 HB2 ALA 37 HB2 ALA 37 -10.369 3.241 2.594 262 HB3 ALA 37 HB3 ALA 37 -11.507 2.872 3.889 263 H ASP 38 H ASP 38 -10.030 0.120 4.200 264 HA ASP 38 HA ASP 38 -12.278 -1.205 5.424 265 HB2 ASP 38 HB2 ASP 38 -10.745 -2.553 3.386 266 HB3 ASP 38 3HB ASP 38 -10.548 -3.368 4.935 267 H VAL 39 H VAL 39 -11.760 -2.182 7.428 268 HA VAL 39 HA VAL 39 -9.083 -1.476 8.446 269 HB VAL 39 HB VAL 39 -11.624 -1.574 10.073 270 HG11 VAL 39 HG11 VAL 39 -8.805 -0.702 10.665 271 HG12 VAL 39 HG12 VAL 39 -10.181 -0.259 11.679 272 HG13 VAL 39 HG13 VAL 39 -9.750 -1.957 11.467 273 HG21 VAL 39 HG21 VAL 39 -10.649 1.057 9.930 274 HG22 VAL 39 HG22 VAL 39 -10.682 0.451 8.275 275 HG23 VAL 39 HG23 VAL 39 -12.149 0.424 9.253 276 H GLY 40 H GLY 40 -8.204 -2.841 10.106 277 HA2 GLY 40 HA1 GLY 40 -9.259 -5.596 9.958 278 HA3 GLY 40 HA2 GLY 40 -7.553 -5.201 10.107 279 H LYS 41 H LYS 41 -8.815 -6.978 11.828 280 HA LYS 41 HA LYS 41 -8.343 -5.640 14.360 281 HB2 LYS 41 HB2 LYS 41 -10.439 -6.469 15.364 282 HB3 LYS 41 HB3 LYS 41 -10.733 -5.305 14.079 283 HG2 LYS 41 HG2 LYS 41 -10.723 -8.178 13.351 284 HG3 LYS 41 HG3 LYS 41 -12.093 -7.566 14.281 285 HD2 LYS 41 HD2 LYS 41 -11.820 -5.638 12.376 286 HD3 LYS 41 HD3 LYS 41 -11.338 -7.083 11.486 287 HE2 LYS 41 HE2 LYS 41 -13.784 -7.236 13.163 288 HE3 LYS 41 HE3 LYS 41 -13.872 -6.308 11.666 289 HZ1 LYS 41 HZ1 LYS 41 -13.954 -8.168 10.488 290 HZ2 LYS 41 HZ2 LYS 41 -14.115 -9.033 11.932 291 HZ3 LYS 41 HZ3 LYS 41 -12.585 -8.806 11.248 292 H ASN 42 H ASN 42 -6.792 -7.523 13.042 293 HA ASN 42 HA ASN 42 -7.341 -10.097 14.297 294 HB2 ASN 42 HB2 ASN 42 -5.245 -9.197 12.315 295 HB3 ASN 42 3HB ASN 42 -5.289 -10.816 13.006 296 HD21 ASN 42 HD21 ASN 42 -7.888 -11.458 13.005 297 HD22 ASN 42 HD22 ASN 42 -8.516 -11.482 11.396 298 HA PRO 43 HA PRO 43 -4.566 -9.613 17.664 299 HB2 PRO 43 HB2 PRO 43 -3.605 -12.139 17.927 300 HB3 PRO 43 HB3 PRO 43 -5.254 -11.687 18.375 301 HG2 PRO 43 HG2 PRO 43 -4.265 -13.015 15.881 302 HG3 PRO 43 HG3 PRO 43 -5.699 -13.391 16.855 303 HD2 PRO 43 HD2 PRO 43 -5.832 -11.967 14.555 304 HD3 PRO 43 HD3 PRO 43 -6.937 -11.687 15.916 305 H ALA 44 H ALA 44 -3.160 -11.631 15.076 306 HA ALA 44 HA ALA 44 -0.478 -11.216 15.707 307 HB1 ALA 44 HB1 ALA 44 -1.974 -12.146 13.345 308 HB2 ALA 44 HB2 ALA 44 -0.342 -11.549 13.039 309 HB3 ALA 44 HB3 ALA 44 -0.599 -12.870 14.179 310 H ALA 45 H ALA 45 -2.769 -9.131 14.173 311 HA ALA 45 HA ALA 45 -0.687 -7.341 13.177 312 HB1 ALA 45 HB1 ALA 45 -2.517 -7.718 11.673 313 HB2 ALA 45 HB2 ALA 45 -3.688 -7.262 12.912 314 HB3 ALA 45 HB3 ALA 45 -2.594 -6.050 12.243 315 H ALA 46 H ALA 46 -3.467 -7.259 15.395 316 HA ALA 46 HA ALA 46 -3.231 -4.655 16.305 317 HB1 ALA 46 HB1 ALA 46 -4.010 -6.977 18.055 318 HB2 ALA 46 HB2 ALA 46 -4.541 -5.299 18.176 319 HB3 ALA 46 HB3 ALA 46 -5.070 -6.296 16.821 320 H THR 47 H THR 47 -1.468 -7.538 17.302 321 HA THR 47 HA THR 47 -0.228 -6.541 19.595 322 HB THR 47 HB THR 47 -0.069 -8.881 19.144 323 HG1 THR 47 HG1 THR 47 1.770 -7.944 20.186 324 HG21 THR 47 HG21 THR 47 0.146 -9.640 17.061 325 HG22 THR 47 HG22 THR 47 1.817 -9.075 17.045 326 HG23 THR 47 HG23 THR 47 0.523 -8.016 16.486 327 H MET 48 H MET 48 0.301 -5.803 16.276 328 HA MET 48 HA MET 48 2.893 -4.563 16.855 329 HB2 MET 48 HB2 MET 48 1.492 -5.387 14.339 330 HB3 MET 48 HB3 MET 48 2.747 -4.157 14.272 331 HG2 MET 48 HG2 MET 48 3.814 -6.239 15.801 332 HG3 MET 48 HG3 MET 48 2.992 -7.008 14.445 333 HE1 MET 48 HE1 MET 48 5.981 -4.566 15.487 334 HE2 MET 48 HE2 MET 48 6.221 -3.758 13.937 335 HE3 MET 48 HE3 MET 48 4.698 -3.562 14.807 336 H ARG 49 H ARG 49 0.140 -3.563 17.639 337 HA ARG 49 HA ARG 49 -0.854 -1.535 17.919 338 HB2 ARG 49 HB2 ARG 49 1.588 -0.437 16.513 339 HB3 ARG 49 HB3 ARG 49 0.426 0.491 17.452 340 HG2 ARG 49 HG2 ARG 49 1.144 -1.290 19.309 341 HG3 ARG 49 HG3 ARG 49 2.624 -1.263 18.348 342 HD2 ARG 49 HD2 ARG 49 1.250 1.177 19.468 343 HD3 ARG 49 HD3 ARG 49 2.629 0.370 20.212 344 HE ARG 49 HE ARG 49 3.436 0.934 17.657 345 HH11 ARG 49 HH11 ARG 49 2.226 2.783 20.348 346 HH12 ARG 49 HH12 ARG 49 3.096 4.219 19.920 347 HH21 ARG 49 HH21 ARG 49 4.586 2.818 17.084 348 HH22 ARG 49 HH22 ARG 49 4.438 4.238 18.063 349 H ASN 50 H ASN 50 0.823 -0.801 14.879 350 HA ASN 50 HA ASN 50 -1.530 -1.245 13.287 351 HB2 ASN 50 HB2 ASN 50 -1.719 1.119 12.525 352 HB3 ASN 50 3HB ASN 50 -2.150 0.902 14.220 353 HD21 ASN 50 HD21 ASN 50 -0.695 1.610 15.826 354 HD22 ASN 50 HD22 ASN 50 0.496 2.813 15.482 355 H VAL 51 H VAL 51 1.420 -1.853 13.483 356 HA VAL 51 HA VAL 51 2.667 -0.614 11.231 357 HB VAL 51 HB VAL 51 3.424 -3.143 12.703 358 HG11 VAL 51 HG11 VAL 51 5.709 -2.568 11.727 359 HG12 VAL 51 HG12 VAL 51 4.512 -3.252 10.625 360 HG13 VAL 51 HG13 VAL 51 4.838 -1.518 10.609 361 HG21 VAL 51 HG21 VAL 51 4.980 -1.782 13.930 362 HG22 VAL 51 HG22 VAL 51 4.545 -0.356 12.987 363 HG23 VAL 51 HG23 VAL 51 3.370 -1.079 14.087 364 H ALA 52 H ALA 52 1.336 -3.867 11.804 365 HA ALA 52 HA ALA 52 1.782 -4.900 9.248 366 HB1 ALA 52 HB1 ALA 52 -0.634 -5.995 10.265 367 HB2 ALA 52 HB2 ALA 52 0.978 -6.711 10.241 368 HB3 ALA 52 HB3 ALA 52 0.468 -5.731 11.617 369 H GLY 53 H GLY 53 -0.658 -2.720 10.426 370 HA2 GLY 53 HA1 GLY 53 -2.480 -3.087 8.243 371 HA3 GLY 53 HA2 GLY 53 -2.515 -1.786 9.422 372 H GLU 54 H GLU 54 0.411 -1.271 8.688 373 HA GLU 54 HA GLU 54 -0.119 0.782 6.793 374 HB2 GLU 54 HB2 GLU 54 2.481 -0.304 7.884 375 HB3 GLU 54 HB3 GLU 54 2.364 1.110 6.846 376 HG2 GLU 54 HG2 GLU 54 1.404 2.405 8.480 377 HG3 GLU 54 HG3 GLU 54 0.760 1.016 9.353 378 H ILE 55 H ILE 55 1.886 -2.160 6.603 379 HA ILE 55 HA ILE 55 2.418 -1.903 3.833 380 HB ILE 55 HB ILE 55 2.579 -4.296 5.664 381 HG12 ILE 55 HG12 ILE 55 5.019 -3.163 4.487 382 HG13 ILE 55 HG13 ILE 55 4.157 -2.048 5.542 383 HG21 ILE 55 HG21 ILE 55 4.204 -4.939 3.617 384 HG22 ILE 55 HG22 ILE 55 2.524 -5.462 3.733 385 HG23 ILE 55 HG23 ILE 55 2.945 -4.061 2.749 386 HD11 ILE 55 HD11 ILE 55 5.876 -4.185 6.243 387 HD12 ILE 55 HD12 ILE 55 5.041 -3.046 7.300 388 HD13 ILE 55 HD13 ILE 55 4.259 -4.558 6.842 389 H ALA 56 H ALA 56 -0.153 -3.408 5.660 390 HA ALA 56 HA ALA 56 -1.259 -5.181 3.902 391 HB1 ALA 56 HB1 ALA 56 -3.495 -3.953 4.891 392 HB2 ALA 56 HB2 ALA 56 -2.575 -5.215 5.711 393 HB3 ALA 56 HB3 ALA 56 -2.267 -3.518 6.080 394 H ALA 57 H ALA 57 -1.878 -1.674 3.982 395 HA ALA 57 HA ALA 57 -3.681 -1.465 1.914 396 HB1 ALA 57 HB1 ALA 57 -3.035 0.826 1.704 397 HB2 ALA 57 HB2 ALA 57 -2.918 0.383 3.408 398 HB3 ALA 57 HB3 ALA 57 -1.458 0.503 2.427 399 H ALA 58 H ALA 58 -0.131 -1.242 1.649 400 HA ALA 58 HA ALA 58 0.082 -0.917 -1.084 401 HB1 ALA 58 HB1 ALA 58 2.221 -2.559 -0.440 402 HB2 ALA 58 HB2 ALA 58 2.187 -0.797 -0.374 403 HB3 ALA 58 HB3 ALA 58 1.829 -1.741 1.073 404 H LEU 59 H LEU 59 -0.581 -3.826 0.748 405 HA LEU 59 HA LEU 59 -0.098 -5.695 -1.317 406 HB2 LEU 59 HB2 LEU 59 -2.114 -6.057 0.876 407 HB3 LEU 59 3HB LEU 59 -1.154 -7.288 0.057 408 HG LEU 59 HG LEU 59 -0.327 -5.374 2.212 409 HD11 LEU 59 HD11 LEU 59 0.778 -7.788 2.743 410 HD12 LEU 59 HD12 LEU 59 -0.686 -8.271 1.887 411 HD13 LEU 59 HD13 LEU 59 -0.801 -7.262 3.330 412 HD21 LEU 59 HD21 LEU 59 1.567 -5.031 1.042 413 HD22 LEU 59 HD22 LEU 59 1.307 -6.433 0.003 414 HD23 LEU 59 HD23 LEU 59 1.979 -6.646 1.621 415 H TYR 60 H TYR 60 -3.262 -4.726 0.015 416 HA TYR 60 HA TYR 60 -4.783 -5.742 -2.092 417 HB2 TYR 60 HB2 TYR 60 -5.544 -3.361 -0.396 418 HB3 TYR 60 3HB TYR 60 -6.624 -4.502 -1.188 419 HD1 TYR 60 HD1 TYR 60 -6.835 -6.815 -0.312 420 HD2 TYR 60 HD2 TYR 60 -4.579 -3.843 1.733 421 HE1 TYR 60 HE1 TYR 60 -6.888 -8.187 1.729 422 HE2 TYR 60 HE2 TYR 60 -4.624 -5.207 3.778 423 HH TYR 60 HH TYR 60 -6.232 -8.376 3.839 424 H ALA 61 H ALA 61 -2.999 -2.787 -1.804 425 HA ALA 61 HA ALA 61 -4.313 -1.292 -3.815 426 HB1 ALA 61 HB1 ALA 61 -1.844 -0.253 -3.880 427 HB2 ALA 61 HB2 ALA 61 -3.015 0.117 -2.614 428 HB3 ALA 61 HB3 ALA 61 -1.767 -1.096 -2.332 429 H VAL 62 H VAL 62 -1.631 -3.582 -3.883 430 HA VAL 62 HA VAL 62 -1.033 -3.148 -6.654 431 HB VAL 62 HB VAL 62 -0.222 -5.393 -4.802 432 HG11 VAL 62 HG11 VAL 62 1.489 -5.911 -6.479 433 HG12 VAL 62 HG12 VAL 62 -0.140 -6.113 -7.127 434 HG13 VAL 62 HG13 VAL 62 0.807 -4.686 -7.548 435 HG21 VAL 62 HG21 VAL 62 1.689 -4.215 -4.309 436 HG22 VAL 62 HG22 VAL 62 1.618 -3.265 -5.793 437 HG23 VAL 62 HG23 VAL 62 0.523 -2.901 -4.460 438 H LYS 63 H LYS 63 -2.948 -5.455 -4.811 439 HA LYS 63 HA LYS 63 -3.445 -7.319 -6.840 440 HB2 LYS 63 HB2 LYS 63 -5.251 -6.509 -4.555 441 HB3 LYS 63 HB3 LYS 63 -5.402 -7.980 -5.507 442 HG2 LYS 63 HG2 LYS 63 -3.283 -8.784 -4.678 443 HG3 LYS 63 HG3 LYS 63 -3.021 -7.272 -3.805 444 HD2 LYS 63 HD2 LYS 63 -4.064 -8.156 -2.052 445 HD3 LYS 63 HD3 LYS 63 -5.546 -8.221 -3.008 446 HE2 LYS 63 HE2 LYS 63 -4.899 -10.433 -3.844 447 HE3 LYS 63 HE3 LYS 63 -3.429 -10.366 -2.875 448 HZ1 LYS 63 HZ1 LYS 63 -4.916 -11.603 -1.606 449 HZ2 LYS 63 HZ2 LYS 63 -6.227 -10.592 -1.952 450 HZ3 LYS 63 HZ3 LYS 63 -5.000 -10.061 -0.914 451 H LYS 64 H LYS 64 -5.232 -4.401 -5.902 452 HA LYS 64 HA LYS 64 -7.214 -4.731 -7.946 453 HB2 LYS 64 HB2 LYS 64 -7.182 -3.347 -5.639 454 HB3 LYS 64 HB3 LYS 64 -6.756 -2.053 -6.753 455 HG2 LYS 64 HG2 LYS 64 -8.943 -1.792 -7.048 456 HG3 LYS 64 HG3 LYS 64 -8.876 -3.273 -8.007 457 HD2 LYS 64 HD2 LYS 64 -9.765 -4.558 -6.332 458 HD3 LYS 64 HD3 LYS 64 -9.139 -3.517 -5.053 459 HE2 LYS 64 HE2 LYS 64 -10.846 -1.923 -5.381 460 HE3 LYS 64 HE3 LYS 64 -11.315 -2.628 -6.927 461 HZ1 LYS 64 HZ1 LYS 64 -11.815 -3.669 -4.208 462 HZ2 LYS 64 HZ2 LYS 64 -11.897 -4.678 -5.563 463 HZ3 LYS 64 HZ3 LYS 64 -12.933 -3.347 -5.437 464 H ALA 65 H ALA 65 -4.147 -3.097 -7.664 465 HA ALA 65 HA ALA 65 -4.280 -1.236 -9.698 466 HB1 ALA 65 HB1 ALA 65 -1.901 -2.958 -9.011 467 HB2 ALA 65 HB2 ALA 65 -1.866 -1.409 -9.853 468 HB3 ALA 65 HB3 ALA 65 -2.374 -1.484 -8.165 469 H SER 66 H SER 66 -3.784 -4.716 -9.908 470 HA SER 66 HA SER 66 -3.144 -4.751 -12.683 471 HB2 SER 66 HB2 SER 66 -2.422 -6.646 -11.496 472 HB3 SER 66 3HB SER 66 -3.980 -6.854 -10.698 473 HG SER 66 HG SER 66 -4.181 -8.303 -12.242 474 H GLN 67 H GLN 67 -6.106 -4.759 -10.861 475 HA GLN 67 HA GLN 67 -7.788 -5.675 -12.978 476 HB2 GLN 67 HB2 GLN 67 -8.679 -4.004 -10.637 477 HB3 GLN 67 HB3 GLN 67 -9.611 -5.185 -11.548 478 HG2 GLN 67 HG2 GLN 67 -8.136 -6.964 -10.660 479 HG3 GLN 67 HG3 GLN 67 -7.334 -5.750 -9.665 480 HE21 GLN 67 HE21 GLN 67 -10.732 -6.391 -10.457 481 HE22 GLN 67 HE22 GLN 67 -11.270 -6.507 -8.820 482 H LEU 68 H LEU 68 -7.057 -2.472 -11.623 483 HA LEU 68 HA LEU 68 -8.678 -1.082 -13.521 484 HB2 LEU 68 HB2 LEU 68 -6.470 -0.054 -11.744 485 HB3 LEU 68 3HB LEU 68 -7.639 0.937 -12.614 486 HG LEU 68 HG LEU 68 -9.199 -0.770 -11.074 487 HD11 LEU 68 HD11 LEU 68 -6.676 -0.821 -9.930 488 HD12 LEU 68 HD12 LEU 68 -8.196 -1.265 -9.154 489 HD13 LEU 68 HD13 LEU 68 -7.563 0.372 -8.980 490 HD21 LEU 68 HD21 LEU 68 -8.318 2.042 -10.433 491 HD22 LEU 68 HD22 LEU 68 -9.790 1.245 -9.879 492 HD23 LEU 68 HD23 LEU 68 -9.578 1.615 -11.591 493 H GLY 69 H GLY 69 -5.741 -2.631 -13.796 494 HA2 GLY 69 HA1 GLY 69 -4.198 -2.712 -15.497 495 HA3 GLY 69 HA2 GLY 69 -5.297 -1.711 -16.435 496 H VAL 70 H VAL 70 -4.139 -0.605 -13.354 497 HA VAL 70 HA VAL 70 -2.499 1.402 -14.753 498 HB VAL 70 HB VAL 70 -2.902 2.926 -12.964 499 HG11 VAL 70 HG11 VAL 70 -5.648 1.895 -13.083 500 HG12 VAL 70 HG12 VAL 70 -5.001 3.464 -13.565 501 HG13 VAL 70 HG13 VAL 70 -4.855 2.079 -14.647 502 HG21 VAL 70 HG21 VAL 70 -3.474 0.513 -11.482 503 HG22 VAL 70 HG22 VAL 70 -3.051 2.120 -10.892 504 HG23 VAL 70 HG23 VAL 70 -4.733 1.726 -11.248 505 H LYS 71 H LYS 71 -1.005 2.417 -12.764 506 HA LYS 71 HA LYS 71 0.445 0.150 -11.583 507 HB2 LYS 71 HB2 LYS 71 1.753 2.481 -12.995 508 HB3 LYS 71 HB3 LYS 71 2.580 1.136 -12.221 509 HG2 LYS 71 HG2 LYS 71 2.659 0.365 -14.335 510 HG3 LYS 71 HG3 LYS 71 1.047 -0.231 -13.933 511 HD2 LYS 71 HD2 LYS 71 -0.003 1.556 -15.060 512 HD3 LYS 71 HD3 LYS 71 1.499 2.477 -15.161 513 HE2 LYS 71 HE2 LYS 71 2.323 1.198 -16.888 514 HE3 LYS 71 HE3 LYS 71 1.352 -0.207 -16.452 515 HZ1 LYS 71 HZ1 LYS 71 -0.292 1.996 -17.180 516 HZ2 LYS 71 HZ2 LYS 71 -0.246 0.434 -17.827 517 HZ3 LYS 71 HZ3 LYS 71 0.797 1.626 -18.420 518 H ILE 72 H ILE 72 2.328 1.216 -10.149 519 HA ILE 72 HA ILE 72 1.288 3.538 -8.707 520 HB ILE 72 HB ILE 72 1.431 2.508 -6.553 521 HG12 ILE 72 HG12 ILE 72 2.392 0.044 -8.022 522 HG13 ILE 72 HG13 ILE 72 3.337 1.043 -6.924 523 HG21 ILE 72 HG21 ILE 72 -0.633 2.169 -7.952 524 HG22 ILE 72 HG22 ILE 72 -0.036 0.547 -8.301 525 HG23 ILE 72 HG23 ILE 72 -0.409 1.011 -6.641 526 HD11 ILE 72 HD11 ILE 72 2.751 -0.807 -5.653 527 HD12 ILE 72 HD12 ILE 72 1.580 0.419 -5.168 528 HD13 ILE 72 HD13 ILE 72 1.110 -0.852 -6.296 529 H ARG 73 H ARG 73 2.945 3.920 -6.746 530 HA ARG 73 HA ARG 73 5.313 4.815 -7.860 531 HB2 ARG 73 HB2 ARG 73 6.052 5.288 -5.653 532 HB3 ARG 73 HB3 ARG 73 4.304 5.480 -5.639 533 HG2 ARG 73 HG2 ARG 73 5.652 2.941 -4.773 534 HG3 ARG 73 HG3 ARG 73 5.335 4.280 -3.667 535 HD2 ARG 73 HD2 ARG 73 2.924 4.142 -4.340 536 HD3 ARG 73 HD3 ARG 73 3.322 2.669 -5.224 537 HE ARG 73 HE ARG 73 3.079 2.974 -2.366 538 HH11 ARG 73 HH11 ARG 73 4.374 1.058 -4.969 539 HH12 ARG 73 HH12 ARG 73 4.491 -0.387 -4.021 540 HH21 ARG 73 HH21 ARG 73 3.229 1.078 -1.107 541 HH22 ARG 73 HH22 ARG 73 3.838 -0.375 -1.825 542 H ILE 74 H ILE 74 7.397 4.047 -7.986 543 HA ILE 74 HA ILE 74 7.857 1.259 -7.180 544 HB ILE 74 HB ILE 74 9.195 0.974 -9.306 545 HG12 ILE 74 HG12 ILE 74 7.640 3.452 -10.078 546 HG13 ILE 74 HG13 ILE 74 9.389 3.318 -9.940 547 HG21 ILE 74 HG21 ILE 74 6.528 1.296 -10.375 548 HG22 ILE 74 HG22 ILE 74 7.444 -0.176 -10.055 549 HG23 ILE 74 HG23 ILE 74 6.502 0.575 -8.766 550 HD11 ILE 74 HD11 ILE 74 9.216 3.077 -12.173 551 HD12 ILE 74 HD12 ILE 74 8.960 1.389 -11.728 552 HD13 ILE 74 HD13 ILE 74 7.580 2.425 -12.089 553 H LEU 75 H LEU 75 9.255 4.355 -8.147 554 HA LEU 75 HA LEU 75 11.627 3.695 -6.532 555 HB2 LEU 75 HB2 LEU 75 11.763 3.902 -9.177 556 HB3 LEU 75 3HB LEU 75 11.872 5.616 -8.782 557 HG LEU 75 HG LEU 75 13.713 4.075 -7.180 558 HD11 LEU 75 HD11 LEU 75 13.761 2.492 -8.978 559 HD12 LEU 75 HD12 LEU 75 15.229 3.466 -9.052 560 HD13 LEU 75 HD13 LEU 75 13.905 3.781 -10.173 561 HD21 LEU 75 HD21 LEU 75 13.724 6.532 -7.660 562 HD22 LEU 75 HD22 LEU 75 14.242 6.147 -9.302 563 HD23 LEU 75 HD23 LEU 75 15.267 5.720 -7.930 564 H HIS 76 H HIS 76 9.678 6.336 -7.894 565 HA HIS 76 HA HIS 76 10.743 8.307 -6.121 566 HB2 HIS 76 HB2 HIS 76 9.627 8.651 -8.429 567 HB3 HIS 76 3HB HIS 76 8.105 8.552 -7.548 568 HD1 HIS 76 HD1 HIS 76 10.329 10.980 -8.786 569 HD2 HIS 76 HD2 HIS 76 8.271 10.532 -5.204 570 HE1 HIS 76 HE1 HIS 76 10.246 13.278 -7.767 571 H ASP 77 H ASP 77 10.431 7.059 -4.126 572 HA ASP 77 HA ASP 77 8.246 8.007 -2.635 573 HB2 ASP 77 HB2 ASP 77 6.854 6.424 -3.742 574 HB3 ASP 77 3HB ASP 77 8.056 5.147 -3.575 575 H TYR 78 H TYR 78 9.172 8.307 -0.730 576 HA TYR 78 HA TYR 78 11.319 6.519 0.127 577 HB2 TYR 78 HB2 TYR 78 10.999 9.279 0.254 578 HB3 TYR 78 3HB TYR 78 10.737 8.743 1.910 579 HD1 TYR 78 HD1 TYR 78 13.085 7.833 -0.862 580 HD2 TYR 78 HD2 TYR 78 12.612 8.899 3.230 581 HE1 TYR 78 HE1 TYR 78 15.517 7.657 -0.540 582 HE2 TYR 78 HE2 TYR 78 15.043 8.727 3.562 583 HH TYR 78 HH TYR 78 17.044 8.596 2.484 584 H ALA 79 H ALA 79 8.463 5.767 0.215 585 HA ALA 79 HA ALA 79 7.380 5.891 2.778 586 HB1 ALA 79 HB1 ALA 79 5.947 5.134 1.099 587 HB2 ALA 79 HB2 ALA 79 7.086 3.904 0.550 588 HB3 ALA 79 HB3 ALA 79 6.242 3.702 2.085 589 H GLY 80 H GLY 80 6.975 3.615 3.972 590 HA2 GLY 80 HA1 GLY 80 9.482 2.986 5.182 591 HA3 GLY 80 HA2 GLY 80 7.935 2.233 5.544 592 H ILE 81 H ILE 81 7.970 1.809 2.406 593 HA ILE 81 HA ILE 81 8.603 -0.923 2.493 594 HB ILE 81 HB ILE 81 8.169 1.005 0.239 595 HG12 ILE 81 HG12 ILE 81 6.244 -0.534 -0.182 596 HG13 ILE 81 HG13 ILE 81 6.713 -1.447 1.249 597 HG21 ILE 81 HG21 ILE 81 9.383 -1.694 0.103 598 HG22 ILE 81 HG22 ILE 81 8.166 -1.289 -1.107 599 HG23 ILE 81 HG23 ILE 81 9.612 -0.293 -0.944 600 HD11 ILE 81 HD11 ILE 81 4.850 0.167 1.594 601 HD12 ILE 81 HD12 ILE 81 6.229 0.400 2.670 602 HD13 ILE 81 HD13 ILE 81 5.997 1.472 1.289 603 H ALA 82 H ALA 82 10.444 1.841 1.231 604 HA ALA 82 HA ALA 82 12.703 0.202 0.523 605 HB1 ALA 82 HB1 ALA 82 12.112 2.242 -0.733 606 HB2 ALA 82 HB2 ALA 82 12.516 3.208 0.687 607 HB3 ALA 82 HB3 ALA 82 13.768 2.271 -0.128 608 H PHE 83 H PHE 83 11.539 1.331 3.415 609 HA PHE 83 HA PHE 83 14.095 1.934 4.637 610 HB2 PHE 83 HB2 PHE 83 12.203 3.206 5.412 611 HB3 PHE 83 3HB PHE 83 11.297 1.737 5.761 612 HD1 PHE 83 HD1 PHE 83 14.271 3.699 6.768 613 HD2 PHE 83 HD2 PHE 83 11.460 0.689 7.845 614 HE1 PHE 83 HE1 PHE 83 15.137 3.720 9.071 615 HE2 PHE 83 HE2 PHE 83 12.322 0.707 10.150 616 HZ PHE 83 HZ PHE 83 14.161 2.223 10.766 617 H TRP 84 H TRP 84 11.544 -0.506 5.140 618 HA TRP 84 HA TRP 84 13.280 -2.127 6.770 619 HB2 TRP 84 HB2 TRP 84 11.344 -2.980 7.494 620 HB3 TRP 84 3HB TRP 84 10.502 -1.905 6.382 621 HD1 TRP 84 HD1 TRP 84 11.979 -5.484 6.446 622 HE1 TRP 84 HE1 TRP 84 10.614 -6.936 4.816 623 HE3 TRP 84 HE3 TRP 84 8.919 -1.875 4.509 624 HZ2 TRP 84 HZ2 TRP 84 8.518 -6.596 2.956 625 HZ3 TRP 84 HZ3 TRP 84 7.261 -2.522 2.809 626 HH2 TRP 84 HH2 TRP 84 7.068 -4.834 2.050 627 H ALA 85 H ALA 85 12.508 -1.871 3.432 628 HA ALA 85 HA ALA 85 12.827 -4.403 2.431 629 HB1 ALA 85 HB1 ALA 85 14.169 -2.968 0.565 630 HB2 ALA 85 HB2 ALA 85 12.412 -3.037 0.694 631 HB3 ALA 85 HB3 ALA 85 13.296 -1.690 1.409 632 H THR 86 H THR 86 15.274 -2.274 3.736 633 HA THR 86 HA THR 86 17.543 -3.652 2.753 634 HB THR 86 HB THR 86 18.840 -2.400 4.336 635 HG1 THR 86 HG1 THR 86 17.597 -1.096 5.930 636 HG21 THR 86 HG21 THR 86 18.296 -0.203 3.707 637 HG22 THR 86 HG22 THR 86 16.569 -0.556 3.644 638 HG23 THR 86 HG23 THR 86 17.648 -1.204 2.408 639 H GLY 87 H GLY 87 15.683 -3.911 5.758 640 HA2 GLY 87 HA1 GLY 87 15.571 -5.589 7.321 641 HA3 GLY 87 HA2 GLY 87 16.254 -6.650 6.097 642 H GLU 88 H GLU 88 16.797 -5.039 9.025 643 HA GLU 88 HA GLU 88 19.703 -5.383 8.844 644 HB2 GLU 88 HB2 GLU 88 18.012 -3.995 10.932 645 HB3 GLU 88 HB3 GLU 88 19.766 -4.100 10.965 646 HG2 GLU 88 HG2 GLU 88 19.298 -3.065 8.481 647 HG3 GLU 88 HG3 GLU 88 18.017 -2.330 9.444 648 H TRP 89 H TRP 89 17.187 -5.937 11.316 649 HA TRP 89 HA TRP 89 18.775 -8.110 12.427 650 HB2 TRP 89 HB2 TRP 89 16.883 -6.239 13.464 651 HB3 TRP 89 3HB TRP 89 16.268 -7.864 13.753 652 HD1 TRP 89 HD1 TRP 89 19.792 -6.246 14.120 653 HE1 TRP 89 HE1 TRP 89 20.739 -6.947 16.409 654 HE3 TRP 89 HE3 TRP 89 15.875 -9.077 15.786 655 HZ2 TRP 89 HZ2 TRP 89 19.933 -8.496 18.625 656 HZ3 TRP 89 HZ3 TRP 89 16.042 -10.135 18.001 657 HH2 TRP 89 HH2 TRP 89 18.030 -9.850 19.390 658 H LYS 90 H LYS 90 17.775 -10.189 12.924 659 HA LYS 90 HA LYS 90 16.522 -11.321 10.650 660 HB2 LYS 90 HB2 LYS 90 17.108 -12.359 13.416 661 HB3 LYS 90 HB3 LYS 90 16.265 -13.337 12.221 662 HG2 LYS 90 HG2 LYS 90 18.139 -13.356 10.778 663 HG3 LYS 90 HG3 LYS 90 18.958 -12.102 11.713 664 HD2 LYS 90 HD2 LYS 90 18.347 -14.237 13.477 665 HD3 LYS 90 HD3 LYS 90 19.080 -14.930 12.029 666 HE2 LYS 90 HE2 LYS 90 20.811 -13.002 12.326 667 HE3 LYS 90 HE3 LYS 90 20.218 -12.977 13.985 668 HZ1 LYS 90 HZ1 LYS 90 21.327 -14.828 14.463 669 HZ2 LYS 90 HZ2 LYS 90 22.156 -14.617 13.004 670 HZ3 LYS 90 HZ3 LYS 90 20.798 -15.624 13.067 671 H ALA 91 H ALA 91 14.596 -10.140 10.344 672 HA ALA 91 HA ALA 91 12.560 -10.117 12.383 673 HB1 ALA 91 HB1 ALA 91 11.166 -9.151 10.478 674 HB2 ALA 91 HB2 ALA 91 12.559 -8.214 11.017 675 HB3 ALA 91 HB3 ALA 91 12.659 -9.168 9.537 676 H LYS 92 H LYS 92 13.679 -12.514 10.491 677 HA LYS 92 HA LYS 92 11.603 -13.708 9.171 678 HB2 LYS 92 HB2 LYS 92 13.727 -15.022 10.870 679 HB3 LYS 92 HB3 LYS 92 12.680 -15.891 9.757 680 HG2 LYS 92 HG2 LYS 92 13.598 -14.677 7.883 681 HG3 LYS 92 HG3 LYS 92 14.581 -13.692 8.969 682 HD2 LYS 92 HD2 LYS 92 15.282 -16.229 9.706 683 HD3 LYS 92 HD3 LYS 92 15.020 -16.410 7.970 684 HE2 LYS 92 HE2 LYS 92 16.613 -14.710 7.476 685 HE3 LYS 92 HE3 LYS 92 16.729 -14.241 9.171 686 HZ1 LYS 92 HZ1 LYS 92 18.191 -15.856 9.589 687 HZ2 LYS 92 HZ2 LYS 92 18.403 -15.943 7.913 688 HZ3 LYS 92 HZ3 LYS 92 17.345 -17.012 8.688 689 H ASN 93 H ASN 93 12.026 -13.366 12.603 690 HA ASN 93 HA ASN 93 9.721 -15.111 13.112 691 HB2 ASN 93 HB2 ASN 93 11.561 -13.867 15.160 692 HB3 ASN 93 3HB ASN 93 10.418 -15.184 15.405 693 HD21 ASN 93 HD21 ASN 93 10.955 -17.241 14.774 694 HD22 ASN 93 HD22 ASN 93 12.551 -17.688 14.283 695 H GLU 94 H GLU 94 8.495 -13.264 12.039 696 HA GLU 94 HA GLU 94 7.326 -11.655 14.145 697 HB2 GLU 94 HB2 GLU 94 8.776 -10.459 11.798 698 HB3 GLU 94 HB3 GLU 94 7.467 -9.596 12.593 699 HG2 GLU 94 HG2 GLU 94 10.046 -10.512 13.842 700 HG3 GLU 94 HG3 GLU 94 9.573 -8.854 13.472 701 H PHE 95 H PHE 95 7.183 -11.041 10.679 702 HA PHE 95 HA PHE 95 5.063 -12.631 9.931 703 HB2 PHE 95 HB2 PHE 95 4.212 -10.646 11.776 704 HB3 PHE 95 3HB PHE 95 3.572 -10.205 10.197 705 HD1 PHE 95 HD1 PHE 95 2.491 -12.218 8.864 706 HD2 PHE 95 HD2 PHE 95 2.980 -12.064 13.090 707 HE1 PHE 95 HE1 PHE 95 0.693 -13.876 9.129 708 HE2 PHE 95 HE2 PHE 95 1.183 -13.723 13.361 709 HZ PHE 95 HZ PHE 95 0.037 -14.631 11.380 710 H THR 96 H THR 96 6.694 -9.573 9.709 711 HA THR 96 HA THR 96 5.724 -8.528 7.349 712 HB THR 96 HB THR 96 8.673 -8.445 7.697 713 HG1 THR 96 HG1 THR 96 6.818 -7.408 9.594 714 HG21 THR 96 HG21 THR 96 7.314 -7.050 6.076 715 HG22 THR 96 HG22 THR 96 8.402 -6.154 7.137 716 HG23 THR 96 HG23 THR 96 6.674 -6.202 7.483 717 H GLN 97 H GLN 97 7.711 -11.329 7.834 718 HA GLN 97 HA GLN 97 8.981 -11.650 5.421 719 HB2 GLN 97 HB2 GLN 97 7.590 -13.910 6.855 720 HB3 GLN 97 HB3 GLN 97 9.040 -13.995 5.863 721 HG2 GLN 97 HG2 GLN 97 10.181 -13.897 7.761 722 HG3 GLN 97 HG3 GLN 97 9.728 -12.194 7.823 723 HE21 GLN 97 HE21 GLN 97 7.961 -15.216 8.403 724 HE22 GLN 97 HE22 GLN 97 7.418 -14.794 9.988 725 H ALA 98 H ALA 98 5.633 -12.504 6.224 726 HA ALA 98 HA ALA 98 4.939 -13.674 3.779 727 HB1 ALA 98 HB1 ALA 98 2.575 -12.747 4.510 728 HB2 ALA 98 HB2 ALA 98 3.350 -14.082 5.362 729 HB3 ALA 98 HB3 ALA 98 3.428 -12.449 6.024 730 H TYR 99 H TYR 99 4.784 -10.301 4.853 731 HA TYR 99 HA TYR 99 3.432 -9.188 2.708 732 HB2 TYR 99 HB2 TYR 99 5.664 -8.023 4.382 733 HB3 TYR 99 3HB TYR 99 4.679 -7.084 3.266 734 HD1 TYR 99 HD1 TYR 99 2.087 -8.704 3.939 735 HD2 TYR 99 HD2 TYR 99 5.009 -6.720 6.311 736 HE1 TYR 99 HE1 TYR 99 0.411 -8.360 5.705 737 HE2 TYR 99 HE2 TYR 99 3.341 -6.371 8.085 738 HH TYR 99 HH TYR 99 0.440 -7.992 8.224 739 H ALA 100 H ALA 100 6.836 -10.043 3.011 740 HA ALA 100 HA ALA 100 7.645 -8.854 0.549 741 HB1 ALA 100 HB1 ALA 100 9.682 -10.334 0.872 742 HB2 ALA 100 HB2 ALA 100 9.340 -9.171 2.153 743 HB3 ALA 100 HB3 ALA 100 8.927 -10.871 2.374 744 H LYS 101 H LYS 101 6.412 -11.994 1.487 745 HA LYS 101 HA LYS 101 7.070 -13.305 -0.968 746 HB2 LYS 101 HB2 LYS 101 4.899 -14.167 0.930 747 HB3 LYS 101 HB3 LYS 101 5.891 -15.168 -0.120 748 HG2 LYS 101 HG2 LYS 101 7.786 -14.033 1.448 749 HG3 LYS 101 HG3 LYS 101 6.429 -14.139 2.572 750 HD2 LYS 101 HD2 LYS 101 6.397 -16.430 2.528 751 HD3 LYS 101 HD3 LYS 101 7.065 -16.516 0.897 752 HE2 LYS 101 HE2 LYS 101 9.135 -15.395 2.224 753 HE3 LYS 101 HE3 LYS 101 8.428 -16.377 3.506 754 HZ1 LYS 101 HZ1 LYS 101 8.457 -18.038 1.353 755 HZ2 LYS 101 HZ2 LYS 101 9.575 -18.047 2.622 756 HZ3 LYS 101 HZ3 LYS 101 9.916 -17.195 1.201 757 H LEU 102 H LEU 102 4.112 -11.871 0.372 758 HA LEU 102 HA LEU 102 2.318 -12.526 -1.619 759 HB2 LEU 102 HB2 LEU 102 2.557 -10.370 0.374 760 HB3 LEU 102 3HB LEU 102 1.493 -10.029 -0.989 761 HG LEU 102 HG LEU 102 1.233 -12.400 0.861 762 HD11 LEU 102 HD11 LEU 102 -0.253 -11.254 2.126 763 HD12 LEU 102 HD12 LEU 102 -0.783 -10.238 0.786 764 HD13 LEU 102 HD13 LEU 102 0.737 -9.888 1.609 765 HD21 LEU 102 HD21 LEU 102 -0.406 -13.166 -0.456 766 HD22 LEU 102 HD22 LEU 102 0.316 -12.149 -1.702 767 HD23 LEU 102 HD23 LEU 102 -1.049 -11.552 -0.756 768 H MET 103 H MET 103 4.975 -10.331 -1.737 769 HA MET 103 HA MET 103 4.246 -8.546 -3.711 770 HB2 MET 103 HB2 MET 103 6.342 -8.263 -2.616 771 HB3 MET 103 HB3 MET 103 6.903 -9.850 -3.127 772 HG2 MET 103 HG2 MET 103 7.434 -9.147 -5.224 773 HG3 MET 103 HG3 MET 103 6.202 -7.886 -5.233 774 HE1 MET 103 HE1 MET 103 9.688 -9.013 -4.296 775 HE2 MET 103 HE2 MET 103 10.445 -7.622 -3.519 776 HE3 MET 103 HE3 MET 103 9.259 -8.588 -2.639 777 H ASN 104 H ASN 104 6.155 -11.499 -4.335 778 HA ASN 104 HA ASN 104 5.895 -11.485 -7.096 779 HB2 ASN 104 HB2 ASN 104 7.502 -12.922 -5.993 780 HB3 ASN 104 3HB ASN 104 6.210 -13.832 -5.215 781 HD21 ASN 104 HD21 ASN 104 4.824 -15.116 -6.549 782 HD22 ASN 104 HD22 ASN 104 5.407 -15.746 -8.049 783 H GLN 105 H GLN 105 3.682 -12.614 -4.642 784 HA GLN 105 HA GLN 105 2.010 -14.279 -6.049 785 HB2 GLN 105 HB2 GLN 105 1.935 -12.976 -3.589 786 HB3 GLN 105 HB3 GLN 105 0.484 -12.423 -4.416 787 HG2 GLN 105 HG2 GLN 105 1.209 -15.327 -4.190 788 HG3 GLN 105 HG3 GLN 105 0.257 -14.481 -2.970 789 HE21 GLN 105 HE21 GLN 105 -1.398 -12.928 -4.366 790 HE22 GLN 105 HE22 GLN 105 -2.425 -13.867 -5.390 791 H TYR 106 H TYR 106 2.061 -10.746 -6.038 792 HA TYR 106 HA TYR 106 0.391 -10.792 -8.454 793 HB2 TYR 106 HB2 TYR 106 -0.560 -8.552 -7.513 794 HB3 TYR 106 3HB TYR 106 -1.216 -10.081 -6.934 795 HD1 TYR 106 HD1 TYR 106 1.662 -7.847 -6.064 796 HD2 TYR 106 HD2 TYR 106 -1.632 -10.153 -4.675 797 HE1 TYR 106 HE1 TYR 106 2.183 -7.188 -3.753 798 HE2 TYR 106 HE2 TYR 106 -1.122 -9.500 -2.360 799 HH TYR 106 HH TYR 106 0.268 -8.405 -1.020 800 H ARG 107 H ARG 107 3.258 -10.574 -8.125 801 HA ARG 107 HA ARG 107 3.983 -7.818 -8.495 802 HB2 ARG 107 HB2 ARG 107 5.641 -9.174 -7.488 803 HB3 ARG 107 HB3 ARG 107 5.485 -10.418 -8.722 804 HG2 ARG 107 HG2 ARG 107 6.244 -7.875 -9.868 805 HG3 ARG 107 HG3 ARG 107 7.378 -8.400 -8.620 806 HD2 ARG 107 HD2 ARG 107 7.678 -10.524 -9.738 807 HD3 ARG 107 HD3 ARG 107 6.456 -10.097 -10.936 808 HE ARG 107 HE ARG 107 8.013 -8.807 -12.026 809 HH11 ARG 107 HH11 ARG 107 9.225 -9.694 -8.886 810 HH12 ARG 107 HH12 ARG 107 10.827 -9.111 -9.194 811 HH21 ARG 107 HH21 ARG 107 10.119 -8.037 -12.446 812 HH22 ARG 107 HH22 ARG 107 11.334 -8.169 -11.220 813 H GLY 108 H GLY 108 4.019 -6.697 -10.337 814 HA2 GLY 108 HA1 GLY 108 4.827 -7.402 -12.823 815 HA3 GLY 108 HA2 GLY 108 3.164 -7.971 -12.784 816 H ILE 109 H ILE 109 2.547 -5.660 -10.905 817 HA ILE 109 HA ILE 109 2.200 -3.664 -13.033 818 HB ILE 109 HB ILE 109 0.475 -2.700 -11.416 819 HG12 ILE 109 HG12 ILE 109 1.511 -4.349 -9.589 820 HG13 ILE 109 HG13 ILE 109 -0.174 -3.842 -9.543 821 HG21 ILE 109 HG21 ILE 109 0.189 -5.328 -12.827 822 HG22 ILE 109 HG22 ILE 109 -1.180 -4.574 -12.013 823 HG23 ILE 109 HG23 ILE 109 -0.365 -3.732 -13.330 824 HD11 ILE 109 HD11 ILE 109 0.754 -6.378 -10.858 825 HD12 ILE 109 HD12 ILE 109 0.221 -6.280 -9.179 826 HD13 ILE 109 HD13 ILE 109 -0.900 -5.892 -10.485 827 H TYR 110 H TYR 110 3.467 -4.151 -9.812 828 HA TYR 110 HA TYR 110 4.506 -1.394 -9.856 829 HB2 TYR 110 HB2 TYR 110 4.167 -1.158 -7.575 830 HB3 TYR 110 3HB TYR 110 2.762 -2.109 -8.042 831 HD1 TYR 110 HD1 TYR 110 2.879 -4.640 -7.714 832 HD2 TYR 110 HD2 TYR 110 5.650 -1.943 -5.940 833 HE1 TYR 110 HE1 TYR 110 3.494 -6.363 -6.070 834 HE2 TYR 110 HE2 TYR 110 6.274 -3.658 -4.291 835 HH TYR 110 HH TYR 110 5.290 -5.686 -3.284 836 H SER 111 H SER 111 6.438 -1.280 -8.182 837 HA SER 111 HA SER 111 8.116 -3.638 -8.198 838 HB2 SER 111 HB2 SER 111 9.289 -1.191 -9.483 839 HB3 SER 111 3HB SER 111 9.823 -2.867 -9.592 840 HG SER 111 HG SER 111 8.232 -3.297 -11.019 841 H PHE 112 H PHE 112 10.148 -3.292 -7.013 842 HA PHE 112 HA PHE 112 10.722 -0.944 -5.588 843 HB2 PHE 112 HB2 PHE 112 8.594 -2.533 -4.472 844 HB3 PHE 112 3HB PHE 112 9.970 -2.518 -3.375 845 HD1 PHE 112 HD1 PHE 112 11.084 0.117 -3.659 846 HD2 PHE 112 HD2 PHE 112 7.004 -1.093 -3.649 847 HE1 PHE 112 HE1 PHE 112 10.427 2.351 -2.865 848 HE2 PHE 112 HE2 PHE 112 6.340 1.139 -2.856 849 HZ PHE 112 HZ PHE 112 8.052 2.865 -2.464 850 H GLU 113 H GLU 113 12.229 -1.435 -3.671 851 HA GLU 113 HA GLU 113 14.273 -3.176 -4.616 852 HB2 GLU 113 HB2 GLU 113 14.188 -0.997 -2.939 853 HB3 GLU 113 HB3 GLU 113 14.500 -2.320 -1.825 854 HG2 GLU 113 HG2 GLU 113 16.635 -2.244 -2.376 855 HG3 GLU 113 HG3 GLU 113 16.207 -2.714 -4.020 856 H LYS 114 H LYS 114 15.308 -4.847 -3.229 857 HA LYS 114 HA LYS 114 13.634 -6.973 -2.716 858 HB2 LYS 114 HB2 LYS 114 16.357 -6.544 -2.638 859 HB3 LYS 114 HB3 LYS 114 15.980 -6.939 -0.967 860 HG2 LYS 114 HG2 LYS 114 15.161 -9.060 -1.535 861 HG3 LYS 114 HG3 LYS 114 15.034 -8.644 -3.246 862 HD2 LYS 114 HD2 LYS 114 17.737 -8.283 -2.356 863 HD3 LYS 114 HD3 LYS 114 17.178 -9.901 -1.924 864 HE2 LYS 114 HE2 LYS 114 16.626 -10.400 -4.184 865 HE3 LYS 114 HE3 LYS 114 16.857 -8.723 -4.676 866 HZ1 LYS 114 HZ1 LYS 114 18.708 -10.357 -5.197 867 HZ2 LYS 114 HZ2 LYS 114 19.070 -10.322 -3.546 868 HZ3 LYS 114 HZ3 LYS 114 19.158 -8.902 -4.460 869 H VAL 115 H VAL 115 12.362 -7.612 -1.083 870 HA VAL 115 HA VAL 115 12.449 -6.046 1.416 871 HB VAL 115 HB VAL 115 9.944 -6.893 1.514 872 HG11 VAL 115 HG11 VAL 115 11.049 -4.524 0.040 873 HG12 VAL 115 HG12 VAL 115 9.314 -4.747 0.270 874 HG13 VAL 115 HG13 VAL 115 10.378 -4.598 1.669 875 HG21 VAL 115 HG21 VAL 115 10.431 -8.063 -0.771 876 HG22 VAL 115 HG22 VAL 115 8.878 -7.274 -0.494 877 HG23 VAL 115 HG23 VAL 115 10.127 -6.457 -1.434 878 H LYS 116 H LYS 116 12.914 -7.171 3.178 879 HA LYS 116 HA LYS 116 12.613 -10.098 3.099 880 HB2 LYS 116 HB2 LYS 116 14.535 -8.276 4.506 881 HB3 LYS 116 HB3 LYS 116 14.224 -9.886 5.144 882 HG2 LYS 116 HG2 LYS 116 14.711 -10.138 2.365 883 HG3 LYS 116 HG3 LYS 116 15.972 -9.111 3.050 884 HD2 LYS 116 HD2 LYS 116 15.945 -11.003 4.921 885 HD3 LYS 116 HD3 LYS 116 15.349 -11.968 3.567 886 HE2 LYS 116 HE2 LYS 116 17.305 -11.730 2.367 887 HE3 LYS 116 HE3 LYS 116 17.755 -10.239 3.194 888 HZ1 LYS 116 HZ1 LYS 116 17.996 -13.019 4.161 889 HZ2 LYS 116 HZ2 LYS 116 18.013 -11.713 5.236 890 HZ3 LYS 116 HZ3 LYS 116 19.199 -11.837 4.036 891 H ALA 117 H ALA 117 12.911 -7.869 5.841 892 HA ALA 117 HA ALA 117 10.264 -7.889 6.697 893 HB1 ALA 117 HB1 ALA 117 10.540 -9.540 8.627 894 HB2 ALA 117 HB2 ALA 117 10.276 -10.208 7.016 895 HB3 ALA 117 HB3 ALA 117 11.897 -10.195 7.711 896 H HIS 118 H HIS 118 9.974 -6.912 8.763 897 HA HIS 118 HA HIS 118 11.997 -6.348 10.598 898 HB2 HIS 118 HB2 HIS 118 12.435 -4.918 8.282 899 HB3 HIS 118 3HB HIS 118 11.566 -3.765 9.290 900 HD1 HIS 118 HD1 HIS 118 13.527 -2.259 9.825 901 HD2 HIS 118 HD2 HIS 118 14.234 -6.243 10.767 902 HE1 HIS 118 HE1 HIS 118 15.669 -2.268 11.143 903 H SER 119 H SER 119 11.336 -3.884 11.564 904 HA SER 119 HA SER 119 8.597 -4.348 12.454 905 HB2 SER 119 HB2 SER 119 10.394 -2.183 13.516 906 HB3 SER 119 3HB SER 119 9.104 -3.058 14.343 907 HG SER 119 HG SER 119 10.686 -4.238 15.068 908 H GLY 120 H GLY 120 7.772 -1.855 13.193 909 HA2 GLY 120 HA1 GLY 120 7.041 -0.734 10.623 910 HA3 GLY 120 HA2 GLY 120 6.396 -0.266 12.190 911 H ASN 121 H ASN 121 6.673 1.886 11.044 912 HA ASN 121 HA ASN 121 8.739 3.327 12.243 913 HB2 ASN 121 HB2 ASN 121 9.779 3.963 9.861 914 HB3 ASN 121 3HB ASN 121 10.428 2.662 10.855 915 HD21 ASN 121 HD21 ASN 121 8.428 3.435 8.097 916 HD22 ASN 121 HD22 ASN 121 8.502 1.873 7.362 917 H GLU 122 H GLU 122 9.033 5.548 10.890 918 HA GLU 122 HA GLU 122 6.287 6.472 10.457 919 HB2 GLU 122 HB2 GLU 122 7.653 7.640 12.152 920 HB3 GLU 122 HB3 GLU 122 8.816 8.067 10.906 921 HG2 GLU 122 HG2 GLU 122 7.223 9.457 9.797 922 HG3 GLU 122 HG3 GLU 122 5.929 8.904 10.857 923 H PHE 123 H PHE 123 8.927 5.500 8.685 924 HA PHE 123 HA PHE 123 9.170 7.332 6.622 925 HB2 PHE 123 HB2 PHE 123 9.504 4.353 6.760 926 HB3 PHE 123 3HB PHE 123 9.676 5.192 5.221 927 HD1 PHE 123 HD1 PHE 123 10.871 5.470 8.745 928 HD2 PHE 123 HD2 PHE 123 11.776 5.868 4.605 929 HE1 PHE 123 HE1 PHE 123 13.202 6.020 9.311 930 HE2 PHE 123 HE2 PHE 123 14.109 6.418 5.164 931 HZ PHE 123 HZ PHE 123 14.824 6.496 7.521 932 H ASN 124 H ASN 124 6.641 5.028 7.269 933 HA ASN 124 HA ASN 124 5.450 5.094 4.682 934 HB2 ASN 124 HB2 ASN 124 3.709 3.806 5.607 935 HB3 ASN 124 3HB ASN 124 5.135 3.328 6.522 936 HD21 ASN 124 HD21 ASN 124 5.067 3.463 8.661 937 HD22 ASN 124 HD22 ASN 124 3.832 4.251 9.575 938 H ASP 125 H ASP 125 5.034 6.943 7.643 939 HA ASP 125 HA ASP 125 2.656 8.265 7.055 940 HB2 ASP 125 HB2 ASP 125 4.880 8.616 8.902 941 HB3 ASP 125 3HB ASP 125 4.202 10.157 8.383 942 H TYR 126 H TYR 126 5.821 8.667 5.727 943 HA TYR 126 HA TYR 126 5.787 11.278 4.826 944 HB2 TYR 126 HB2 TYR 126 7.799 10.160 4.472 945 HB3 TYR 126 3HB TYR 126 7.012 8.760 3.754 946 HD1 TYR 126 HD1 TYR 126 6.194 8.866 1.415 947 HD2 TYR 126 HD2 TYR 126 8.463 12.026 3.139 948 HE1 TYR 126 HE1 TYR 126 6.661 9.751 -0.833 949 HE2 TYR 126 HE2 TYR 126 8.934 12.920 0.897 950 HH TYR 126 HH TYR 126 7.918 12.831 -1.372 951 H VAL 127 H VAL 127 4.182 8.447 3.502 952 HA VAL 127 HA VAL 127 3.430 9.420 1.008 953 HB VAL 127 HB VAL 127 1.630 7.798 1.031 954 HG11 VAL 127 HG11 VAL 127 4.057 6.720 2.461 955 HG12 VAL 127 HG12 VAL 127 2.906 5.783 1.505 956 HG13 VAL 127 HG13 VAL 127 3.927 6.991 0.723 957 HG21 VAL 127 HG21 VAL 127 1.706 8.276 3.862 958 HG22 VAL 127 HG22 VAL 127 0.473 7.461 2.899 959 HG23 VAL 127 HG23 VAL 127 1.844 6.550 3.531 960 H ASP 128 H ASP 128 2.351 10.336 4.138 961 HA ASP 128 HA ASP 128 -0.230 11.267 3.571 962 HB2 ASP 128 HB2 ASP 128 1.783 12.296 5.582 963 HB3 ASP 128 3HB ASP 128 0.071 12.711 5.567 964 H MET 129 H MET 129 2.882 12.994 3.535 965 HA MET 129 HA MET 129 1.742 15.432 2.584 966 HB2 MET 129 HB2 MET 129 4.213 14.625 3.624 967 HB3 MET 129 HB3 MET 129 4.561 15.155 1.983 968 HG2 MET 129 HG2 MET 129 3.181 17.240 2.601 969 HG3 MET 129 HG3 MET 129 3.427 16.715 4.266 970 HE1 MET 129 HE1 MET 129 7.132 16.603 4.727 971 HE2 MET 129 HE2 MET 129 5.789 15.474 4.548 972 HE3 MET 129 HE3 MET 129 6.989 15.628 3.264 973 H LYS 130 H LYS 130 3.419 12.716 1.068 974 HA LYS 130 HA LYS 130 3.663 13.807 -1.507 975 HB2 LYS 130 HB2 LYS 130 4.341 11.415 -0.269 976 HB3 LYS 130 HB3 LYS 130 3.183 10.934 -1.502 977 HG2 LYS 130 HG2 LYS 130 5.686 12.541 -1.974 978 HG3 LYS 130 HG3 LYS 130 5.477 10.823 -2.321 979 HD2 LYS 130 HD2 LYS 130 4.900 11.524 -4.375 980 HD3 LYS 130 HD3 LYS 130 3.348 11.915 -3.629 981 HE2 LYS 130 HE2 LYS 130 3.678 14.017 -4.278 982 HE3 LYS 130 HE3 LYS 130 4.962 14.107 -3.074 983 HZ1 LYS 130 HZ1 LYS 130 5.146 14.033 -5.935 984 HZ2 LYS 130 HZ2 LYS 130 6.154 12.896 -5.193 985 HZ3 LYS 130 HZ3 LYS 130 6.289 14.534 -4.793 986 H ALA 131 H ALA 131 1.202 11.568 -0.223 987 HA ALA 131 HA ALA 131 -0.419 11.417 -2.464 988 HB1 ALA 131 HB1 ALA 131 -0.949 11.139 0.464 989 HB2 ALA 131 HB2 ALA 131 -2.285 11.079 -0.687 990 HB3 ALA 131 HB3 ALA 131 -0.969 9.912 -0.802 991 H LYS 132 H LYS 132 -0.241 13.910 0.004 992 HA LYS 132 HA LYS 132 -2.580 15.304 -0.456 993 HB2 LYS 132 HB2 LYS 132 -0.066 15.804 0.826 994 HB3 LYS 132 HB3 LYS 132 -0.537 17.232 -0.086 995 HG2 LYS 132 HG2 LYS 132 -2.857 16.785 1.090 996 HG3 LYS 132 HG3 LYS 132 -1.827 15.969 2.268 997 HD2 LYS 132 HD2 LYS 132 -0.446 18.049 2.386 998 HD3 LYS 132 HD3 LYS 132 -1.649 18.840 1.362 999 HE2 LYS 132 HE2 LYS 132 -3.367 18.421 3.037 1000 HE3 LYS 132 HE3 LYS 132 -2.194 17.581 4.050 1001 HZ1 LYS 132 HZ1 LYS 132 -1.215 20.140 3.382 1002 HZ2 LYS 132 HZ2 LYS 132 -1.562 19.504 4.910 1003 HZ3 LYS 132 HZ3 LYS 132 -2.771 20.293 4.027 1004 H SER 133 H SER 133 0.396 15.291 -2.319 1005 HA SER 133 HA SER 133 -0.303 17.490 -3.995 1006 HB2 SER 133 HB2 SER 133 1.734 15.276 -4.302 1007 HB3 SER 133 3HB SER 133 1.564 16.607 -5.447 1008 HG SER 133 HG SER 133 2.351 17.982 -3.998 1009 H ALA 134 H ALA 134 -0.834 14.036 -4.101 1010 HA ALA 134 HA ALA 134 -1.574 13.809 -6.810 1011 HB1 ALA 134 HB1 ALA 134 -2.509 11.679 -6.222 1012 HB2 ALA 134 HB2 ALA 134 -1.011 11.903 -5.319 1013 HB3 ALA 134 HB3 ALA 134 -2.566 12.125 -4.517 1014 H LEU 135 H LEU 135 -3.466 14.458 -3.886 1015 HA LEU 135 HA LEU 135 -5.983 14.492 -5.218 1016 HB2 LEU 135 HB2 LEU 135 -6.125 14.067 -2.942 1017 HB3 LEU 135 3HB LEU 135 -4.996 15.357 -2.531 1018 HG LEU 135 HG LEU 135 -7.602 16.146 -3.715 1019 HD11 LEU 135 HD11 LEU 135 -8.580 14.687 -2.230 1020 HD12 LEU 135 HD12 LEU 135 -8.431 16.141 -1.244 1021 HD13 LEU 135 HD13 LEU 135 -7.268 14.828 -1.059 1022 HD21 LEU 135 HD21 LEU 135 -6.842 17.549 -1.362 1023 HD22 LEU 135 HD22 LEU 135 -6.880 18.126 -3.027 1024 HD23 LEU 135 HD23 LEU 135 -5.418 17.370 -2.388 1025 H GLY 136 H GLY 136 -3.847 17.074 -4.004 1026 HA2 GLY 136 HA1 GLY 136 -3.550 18.943 -5.654 1027 HA3 GLY 136 HA2 GLY 136 -5.304 18.949 -5.762 1028 H ILE 137 H ILE 137 -2.554 19.651 -3.699 1029 HA ILE 137 HA ILE 137 -4.314 21.354 -2.059 1030 HB ILE 137 HB ILE 137 -1.783 19.996 -1.128 1031 HG12 ILE 137 HG12 ILE 137 -3.654 18.409 -1.542 1032 HG13 ILE 137 HG13 ILE 137 -3.204 18.512 0.156 1033 HG21 ILE 137 HG21 ILE 137 -3.113 20.715 1.106 1034 HG22 ILE 137 HG22 ILE 137 -1.873 21.705 0.338 1035 HG23 ILE 137 HG23 ILE 137 -3.578 22.026 0.021 1036 HD11 ILE 137 HD11 ILE 137 -5.568 19.839 -1.147 1037 HD12 ILE 137 HD12 ILE 137 -5.600 18.440 -0.073 1038 HD13 ILE 137 HD13 ILE 137 -5.105 20.016 0.545 1039 H ARG 138 H ARG 138 -3.544 23.381 -1.453 1040 HA ARG 138 HA ARG 138 -1.942 24.733 -3.305 1041 HB2 ARG 138 HB2 ARG 138 -1.963 26.594 -1.650 1042 HB3 ARG 138 HB3 ARG 138 -3.558 25.935 -1.988 1043 HG2 ARG 138 HG2 ARG 138 -3.629 26.142 0.292 1044 HG3 ARG 138 HG3 ARG 138 -3.085 24.472 0.119 1045 HD2 ARG 138 HD2 ARG 138 -0.959 24.949 0.822 1046 HD3 ARG 138 HD3 ARG 138 -1.030 26.616 0.253 1047 HE ARG 138 HE ARG 138 -2.841 26.315 2.367 1048 HH11 ARG 138 HH11 ARG 138 0.591 26.305 1.780 1049 HH12 ARG 138 HH12 ARG 138 0.996 26.874 3.366 1050 HH21 ARG 138 HH21 ARG 138 -2.321 27.064 4.457 1051 HH22 ARG 138 HH22 ARG 138 -0.661 27.304 4.889 1052 H ASP 139 H ASP 139 -0.109 26.267 -2.154 1053 HA ASP 139 HA ASP 139 1.658 25.105 -0.329 1054 HB2 ASP 139 HB2 ASP 139 3.481 24.532 -2.087 1055 HB3 ASP 139 3HB ASP 139 2.213 23.352 -1.765 1056 H LEU 140 H LEU 140 3.914 26.116 -0.515 1057 HA LEU 140 HA LEU 140 4.324 28.414 -2.097 1058 HB2 LEU 140 HB2 LEU 140 2.818 28.756 0.381 1059 HB3 LEU 140 3HB LEU 140 4.244 29.787 0.279 1060 HG LEU 140 HG LEU 140 2.568 29.807 -2.128 1061 HD11 LEU 140 HD11 LEU 140 1.008 29.615 -0.035 1062 HD12 LEU 140 HD12 LEU 140 0.671 30.794 -1.301 1063 HD13 LEU 140 HD13 LEU 140 1.453 31.305 0.195 1064 HD21 LEU 140 HD21 LEU 140 4.568 31.301 -1.358 1065 HD22 LEU 140 HD22 LEU 140 3.319 32.172 -0.467 1066 HD23 LEU 140 HD23 LEU 140 3.206 32.016 -2.221 1067 H GLU 141 H GLU 141 6.323 27.311 -2.265 1068 HA GLU 141 HA GLU 141 7.987 26.511 -0.214 1069 HB2 GLU 141 HB2 GLU 141 9.780 26.565 -1.777 1070 HB3 GLU 141 HB3 GLU 141 8.332 26.147 -2.682 1071 HG2 GLU 141 HG2 GLU 141 8.146 28.454 -3.458 1072 HG3 GLU 141 HG3 GLU 141 9.597 28.875 -2.550 1073 H HIS 142 H HIS 142 9.957 27.505 0.624 1074 HA HIS 142 HA HIS 142 10.529 30.241 0.452 1075 HB2 HIS 142 HB2 HIS 142 8.221 29.869 1.894 1076 HB3 HIS 142 3HB HIS 142 9.445 29.908 3.159 1077 HD1 HIS 142 HD1 HIS 142 9.319 32.185 4.121 1078 HD2 HIS 142 HD2 HIS 142 9.182 32.245 -0.031 1079 HE1 HIS 142 HE1 HIS 142 9.338 34.617 3.483 1080 H HIS 143 H HIS 143 10.441 27.484 2.682 1081 HA HIS 143 HA HIS 143 12.973 28.230 3.868 1082 HB2 HIS 143 HB2 HIS 143 10.794 26.768 4.746 1083 HB3 HIS 143 3HB HIS 143 12.015 25.534 4.451 1084 HD1 HIS 143 HD1 HIS 143 13.101 24.993 6.597 1085 HD2 HIS 143 HD2 HIS 143 12.345 29.063 6.241 1086 HE1 HIS 143 HE1 HIS 143 14.051 26.037 8.678 1087 H HIS 144 H HIS 144 14.472 26.133 4.193 1088 HA HIS 144 HA HIS 144 14.727 24.351 2.018 1089 HB2 HIS 144 HB2 HIS 144 15.899 26.988 1.671 1090 HB3 HIS 144 3HB HIS 144 17.115 25.717 1.578 1091 HD1 HIS 144 HD1 HIS 144 15.750 23.544 0.050 1092 HD2 HIS 144 HD2 HIS 144 15.266 27.563 -0.889 1093 HE1 HIS 144 HE1 HIS 144 15.026 23.590 -2.358 1094 H HIS 145 H HIS 145 17.231 23.587 1.979 1095 HA HIS 145 HA HIS 145 17.814 22.953 4.781 1096 HB2 HIS 145 HB2 HIS 145 17.650 21.345 2.532 1097 HB3 HIS 145 3HB HIS 145 19.385 21.528 2.776 1098 HD1 HIS 145 HD1 HIS 145 20.432 20.246 4.679 1099 HD2 HIS 145 HD2 HIS 145 16.280 20.105 4.727 1100 HE1 HIS 145 HE1 HIS 145 19.837 18.538 6.427 1101 H HIS 146 H HIS 146 20.397 22.288 4.799 1102 HA HIS 146 HA HIS 146 22.001 24.365 3.569 1103 HB2 HIS 146 HB2 HIS 146 21.630 24.196 6.564 1104 HB3 HIS 146 3HB HIS 146 22.933 25.093 5.787 1105 HD1 HIS 146 HD1 HIS 146 19.405 25.340 6.767 1106 HD2 HIS 146 HD2 HIS 146 22.020 27.357 4.246 1107 HE1 HIS 146 HE1 HIS 146 18.283 27.531 6.247 1108 H HIS 147 H HIS 147 21.791 21.403 3.639 1109 HA HIS 147 HA HIS 147 23.126 19.558 3.754 1110 HB2 HIS 147 HB2 HIS 147 24.418 21.111 2.212 1111 HB3 HIS 147 3HB HIS 147 25.429 21.504 3.599 1112 HD1 HIS 147 HD1 HIS 147 27.480 20.145 3.736 1113 HD2 HIS 147 HD2 HIS 147 24.417 18.113 1.798 1114 HE1 HIS 147 HE1 HIS 147 28.474 17.946 3.028 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -8.050 2.662 -17.113 2 HA MET 1 HA MET 1 -6.789 1.003 -18.390 3 HB2 MET 1 HB2 MET 1 -7.464 2.929 -20.609 4 HB3 MET 1 HB3 MET 1 -6.206 1.712 -20.765 5 HG2 MET 1 HG2 MET 1 -7.731 -0.050 -20.656 6 HG3 MET 1 HG3 MET 1 -9.001 0.974 -19.993 7 HE1 MET 1 HE1 MET 1 -7.503 1.137 -24.340 8 HE2 MET 1 HE2 MET 1 -6.812 2.238 -23.147 9 HE3 MET 1 HE3 MET 1 -6.625 0.495 -22.951 10 H ASP 2 H ASP 2 -6.609 4.518 -18.564 11 HA ASP 2 HA ASP 2 -3.746 4.327 -17.895 12 HB2 ASP 2 HB2 ASP 2 -5.146 6.174 -19.811 13 HB3 ASP 2 3HB ASP 2 -3.618 6.634 -19.066 14 H ASP 3 H ASP 3 -2.906 6.026 -16.565 15 HA ASP 3 HA ASP 3 -4.923 7.606 -15.132 16 HB2 ASP 3 HB2 ASP 3 -4.176 6.947 -13.004 17 HB3 ASP 3 3HB ASP 3 -4.247 5.441 -13.917 18 H ARG 4 H ARG 4 -3.317 8.830 -13.292 19 HA ARG 4 HA ARG 4 -0.937 9.874 -14.525 20 HB2 ARG 4 HB2 ARG 4 -1.635 12.098 -14.906 21 HB3 ARG 4 HB3 ARG 4 -2.873 11.089 -15.641 22 HG2 ARG 4 HG2 ARG 4 -4.083 11.366 -13.359 23 HG3 ARG 4 HG3 ARG 4 -3.014 12.758 -13.175 24 HD2 ARG 4 HD2 ARG 4 -4.767 12.309 -15.583 25 HD3 ARG 4 HD3 ARG 4 -5.268 13.250 -14.178 26 HE ARG 4 HE ARG 4 -2.852 14.309 -14.987 27 HH11 ARG 4 HH11 ARG 4 -6.020 13.855 -16.359 28 HH12 ARG 4 HH12 ARG 4 -5.918 15.247 -17.386 29 HH21 ARG 4 HH21 ARG 4 -2.706 16.143 -16.334 30 HH22 ARG 4 HH22 ARG 4 -4.031 16.548 -17.371 31 H THR 5 H THR 5 -1.866 8.616 -12.010 32 HA THR 5 HA THR 5 -1.973 10.433 -9.890 33 HB THR 5 HB THR 5 -0.938 8.456 -8.559 34 HG1 THR 5 HG1 THR 5 -0.178 7.509 -10.661 35 HG21 THR 5 HG21 THR 5 -3.297 8.959 -8.486 36 HG22 THR 5 HG22 THR 5 -3.091 7.217 -8.673 37 HG23 THR 5 HG23 THR 5 -3.545 8.207 -10.060 38 H GLU 6 H GLU 6 -0.392 11.149 -8.414 39 HA GLU 6 HA GLU 6 1.931 12.191 -9.470 40 HB2 GLU 6 HB2 GLU 6 0.732 11.970 -6.858 41 HB3 GLU 6 HB3 GLU 6 2.473 11.756 -6.742 42 HG2 GLU 6 HG2 GLU 6 1.125 14.077 -8.102 43 HG3 GLU 6 HG3 GLU 6 1.731 14.094 -6.447 44 H TYR 7 H TYR 7 2.031 9.645 -6.986 45 HA TYR 7 HA TYR 7 3.517 7.779 -8.441 46 HB2 TYR 7 HB2 TYR 7 5.064 10.014 -7.401 47 HB3 TYR 7 3HB TYR 7 5.629 8.472 -6.765 48 HD1 TYR 7 HD1 TYR 7 5.440 6.596 -8.874 49 HD2 TYR 7 HD2 TYR 7 6.397 10.734 -9.134 50 HE1 TYR 7 HE1 TYR 7 6.659 6.177 -10.969 51 HE2 TYR 7 HE2 TYR 7 7.617 10.326 -11.230 52 HH TYR 7 HH TYR 7 7.266 7.868 -13.113 53 H ASP 8 H ASP 8 4.281 8.992 -5.197 54 HA ASP 8 HA ASP 8 4.068 6.460 -3.983 55 HB2 ASP 8 HB2 ASP 8 5.001 8.950 -3.222 56 HB3 ASP 8 3HB ASP 8 3.611 8.703 -2.168 57 H VAL 9 H VAL 9 2.419 5.393 -3.050 58 HA VAL 9 HA VAL 9 -0.255 6.505 -3.378 59 HB VAL 9 HB VAL 9 0.711 3.737 -2.674 60 HG11 VAL 9 HG11 VAL 9 -1.983 4.955 -2.462 61 HG12 VAL 9 HG12 VAL 9 -1.878 3.324 -3.128 62 HG13 VAL 9 HG13 VAL 9 -1.244 3.662 -1.517 63 HG21 VAL 9 HG21 VAL 9 0.228 5.086 -5.122 64 HG22 VAL 9 HG22 VAL 9 0.694 3.404 -4.870 65 HG23 VAL 9 HG23 VAL 9 -1.012 3.846 -4.932 66 H TYR 10 H TYR 10 -1.680 6.896 -1.732 67 HA TYR 10 HA TYR 10 -0.602 7.534 0.813 68 HB2 TYR 10 HB2 TYR 10 -2.437 8.837 0.002 69 HB3 TYR 10 3HB TYR 10 -3.438 7.406 -0.217 70 HD1 TYR 10 HD1 TYR 10 -1.496 8.989 2.567 71 HD2 TYR 10 HD2 TYR 10 -5.128 7.153 1.321 72 HE1 TYR 10 HE1 TYR 10 -2.421 9.299 4.825 73 HE2 TYR 10 HE2 TYR 10 -6.062 7.459 3.575 74 HH TYR 10 HH TYR 10 -4.107 8.545 6.244 75 H THR 11 H THR 11 0.299 5.569 1.564 76 HA THR 11 HA THR 11 -1.708 3.712 2.659 77 HB THR 11 HB THR 11 0.150 1.941 2.458 78 HG1 THR 11 HG1 THR 11 1.927 2.906 1.737 79 HG21 THR 11 HG21 THR 11 -1.829 2.873 0.585 80 HG22 THR 11 HG22 THR 11 -1.325 1.223 0.947 81 HG23 THR 11 HG23 THR 11 -0.463 2.161 -0.271 82 H ASP 12 H ASP 12 -0.480 2.230 4.361 83 HA ASP 12 HA ASP 12 0.314 2.176 6.497 84 HB2 ASP 12 HB2 ASP 12 2.477 4.100 5.742 85 HB3 ASP 12 3HB ASP 12 2.574 2.633 6.714 86 H GLY 13 H GLY 13 -1.410 3.268 7.487 87 HA2 GLY 13 HA1 GLY 13 -1.032 5.187 9.270 88 HA3 GLY 13 HA2 GLY 13 -1.199 6.161 7.816 89 H SER 14 H SER 14 -2.833 3.970 10.009 90 HA SER 14 HA SER 14 -5.295 5.287 9.822 91 HB2 SER 14 HB2 SER 14 -6.291 2.950 8.742 92 HB3 SER 14 3HB SER 14 -6.083 4.471 7.873 93 HG SER 14 HG SER 14 -4.975 2.236 7.257 94 H TYR 15 H TYR 15 -6.323 4.863 11.661 95 HA TYR 15 HA TYR 15 -6.795 2.330 12.741 96 HB2 TYR 15 HB2 TYR 15 -5.297 2.554 14.788 97 HB3 TYR 15 3HB TYR 15 -4.499 2.107 13.284 98 HD1 TYR 15 HD1 TYR 15 -5.279 5.074 15.402 99 HD2 TYR 15 HD2 TYR 15 -2.647 3.314 12.559 100 HE1 TYR 15 HE1 TYR 15 -3.736 6.971 15.665 101 HE2 TYR 15 HE2 TYR 15 -1.097 5.206 12.816 102 HH TYR 15 HH TYR 15 -1.894 8.072 14.128 103 H VAL 16 H VAL 16 -7.893 2.410 14.800 104 HA VAL 16 HA VAL 16 -8.638 5.096 15.715 105 HB VAL 16 HB VAL 16 -10.418 4.502 14.208 106 HG11 VAL 16 HG11 VAL 16 -11.633 2.474 14.274 107 HG12 VAL 16 HG12 VAL 16 -9.928 2.021 14.332 108 HG13 VAL 16 HG13 VAL 16 -10.900 1.998 15.804 109 HG21 VAL 16 HG21 VAL 16 -11.419 3.953 16.995 110 HG22 VAL 16 HG22 VAL 16 -10.950 5.556 16.430 111 HG23 VAL 16 HG23 VAL 16 -12.291 4.707 15.661 112 H ASN 17 H ASN 17 -8.191 5.190 17.806 113 HA ASN 17 HA ASN 17 -8.139 4.685 20.029 114 HB2 ASN 17 HB2 ASN 17 -10.469 3.731 19.460 115 HB3 ASN 17 3HB ASN 17 -9.680 2.157 19.483 116 HD21 ASN 17 HD21 ASN 17 -11.525 4.063 21.265 117 HD22 ASN 17 HD22 ASN 17 -10.987 3.652 22.854 118 H GLY 18 H GLY 18 -8.180 1.433 18.562 119 HA2 GLY 18 HA1 GLY 18 -5.346 1.097 19.052 120 HA3 GLY 18 HA2 GLY 18 -6.383 0.142 20.100 121 H GLN 19 H GLN 19 -7.518 0.795 16.916 122 HA GLN 19 HA GLN 19 -7.090 -2.023 16.226 123 HB2 GLN 19 HB2 GLN 19 -9.322 -0.321 16.012 124 HB3 GLN 19 HB3 GLN 19 -8.777 -0.616 14.366 125 HG2 GLN 19 HG2 GLN 19 -8.696 -3.117 15.277 126 HG3 GLN 19 HG3 GLN 19 -9.943 -2.475 16.345 127 HE21 GLN 19 HE21 GLN 19 -11.188 -0.685 14.672 128 HE22 GLN 19 HE22 GLN 19 -11.961 -1.542 13.387 129 H TYR 20 H TYR 20 -7.117 -2.209 13.632 130 HA TYR 20 HA TYR 20 -5.200 -0.280 12.532 131 HB2 TYR 20 HB2 TYR 20 -3.701 -1.950 11.784 132 HB3 TYR 20 3HB TYR 20 -4.052 -2.359 13.459 133 HD1 TYR 20 HD1 TYR 20 -5.389 -4.322 14.007 134 HD2 TYR 20 HD2 TYR 20 -4.482 -3.350 9.966 135 HE1 TYR 20 HE1 TYR 20 -6.074 -6.581 13.316 136 HE2 TYR 20 HE2 TYR 20 -5.166 -5.605 9.263 137 HH TYR 20 HH TYR 20 -5.580 -7.732 10.051 138 H ALA 21 H ALA 21 -5.549 0.245 10.449 139 HA ALA 21 HA ALA 21 -7.327 -1.447 8.841 140 HB1 ALA 21 HB1 ALA 21 -7.685 1.508 8.704 141 HB2 ALA 21 HB2 ALA 21 -8.830 0.215 8.345 142 HB3 ALA 21 HB3 ALA 21 -8.444 0.610 10.020 143 H TRP 22 H TRP 22 -7.215 -0.998 6.533 144 HA TRP 22 HA TRP 22 -4.687 0.291 5.743 145 HB2 TRP 22 HB2 TRP 22 -4.709 -1.484 3.856 146 HB3 TRP 22 3HB TRP 22 -4.196 -1.978 5.468 147 HD1 TRP 22 HD1 TRP 22 -5.913 -3.524 6.878 148 HE1 TRP 22 HE1 TRP 22 -7.795 -5.097 6.099 149 HE3 TRP 22 HE3 TRP 22 -6.490 -1.796 2.101 150 HZ2 TRP 22 HZ2 TRP 22 -9.323 -5.546 3.768 151 HZ3 TRP 22 HZ3 TRP 22 -8.184 -2.853 0.662 152 HH2 TRP 22 HH2 TRP 22 -9.569 -4.690 1.480 153 H ALA 23 H ALA 23 -4.835 1.769 4.173 154 HA ALA 23 HA ALA 23 -7.078 1.698 2.307 155 HB1 ALA 23 HB1 ALA 23 -6.469 4.268 3.727 156 HB2 ALA 23 HB2 ALA 23 -7.891 3.836 2.778 157 HB3 ALA 23 HB3 ALA 23 -7.640 3.116 4.368 158 H TYR 24 H TYR 24 -6.565 2.430 0.311 159 HA TYR 24 HA TYR 24 -3.986 3.808 -0.022 160 HB2 TYR 24 HB2 TYR 24 -3.849 2.485 -2.231 161 HB3 TYR 24 3HB TYR 24 -3.467 1.638 -0.736 162 HD1 TYR 24 HD1 TYR 24 -5.437 0.331 0.368 163 HD2 TYR 24 HD2 TYR 24 -5.382 1.556 -3.706 164 HE1 TYR 24 HE1 TYR 24 -7.123 -1.379 -0.161 165 HE2 TYR 24 HE2 TYR 24 -7.069 -0.150 -4.247 166 HH TYR 24 HH TYR 24 -8.125 -2.511 -1.867 167 H ALA 25 H ALA 25 -3.866 4.539 -2.485 168 HA ALA 25 HA ALA 25 -6.338 6.056 -2.968 169 HB1 ALA 25 HB1 ALA 25 -3.456 6.628 -3.557 170 HB2 ALA 25 HB2 ALA 25 -4.748 7.477 -4.406 171 HB3 ALA 25 HB3 ALA 25 -4.621 7.596 -2.652 172 H PHE 26 H PHE 26 -7.240 6.175 -5.021 173 HA PHE 26 HA PHE 26 -6.088 4.486 -7.117 174 HB2 PHE 26 HB2 PHE 26 -8.895 4.083 -7.208 175 HB3 PHE 26 3HB PHE 26 -7.637 2.891 -6.895 176 HD1 PHE 26 HD1 PHE 26 -6.850 2.590 -4.500 177 HD2 PHE 26 HD2 PHE 26 -10.395 4.705 -5.539 178 HE1 PHE 26 HE1 PHE 26 -7.686 2.312 -2.203 179 HE2 PHE 26 HE2 PHE 26 -11.235 4.430 -3.243 180 HZ PHE 26 HZ PHE 26 -9.880 3.233 -1.572 181 H VAL 27 H VAL 27 -6.475 5.182 -9.177 182 HA VAL 27 HA VAL 27 -8.437 7.271 -9.667 183 HB VAL 27 HB VAL 27 -5.475 7.721 -9.879 184 HG11 VAL 27 HG11 VAL 27 -6.408 9.905 -11.100 185 HG12 VAL 27 HG12 VAL 27 -5.902 8.462 -11.982 186 HG13 VAL 27 HG13 VAL 27 -7.613 8.744 -11.654 187 HG21 VAL 27 HG21 VAL 27 -6.480 8.510 -7.857 188 HG22 VAL 27 HG22 VAL 27 -6.131 9.910 -8.870 189 HG23 VAL 27 HG23 VAL 27 -7.781 9.298 -8.748 190 H LYS 28 H LYS 28 -9.257 7.173 -11.682 191 HA LYS 28 HA LYS 28 -7.829 5.547 -13.678 192 HB2 LYS 28 HB2 LYS 28 -10.743 5.445 -12.911 193 HB3 LYS 28 HB3 LYS 28 -10.154 4.818 -14.445 194 HG2 LYS 28 HG2 LYS 28 -8.727 3.866 -12.056 195 HG3 LYS 28 HG3 LYS 28 -10.406 3.346 -12.207 196 HD2 LYS 28 HD2 LYS 28 -9.023 3.121 -14.730 197 HD3 LYS 28 HD3 LYS 28 -8.172 2.235 -13.463 198 HE2 LYS 28 HE2 LYS 28 -9.734 0.738 -14.459 199 HE3 LYS 28 HE3 LYS 28 -10.355 1.166 -12.867 200 HZ1 LYS 28 HZ1 LYS 28 -11.836 2.762 -13.912 201 HZ2 LYS 28 HZ2 LYS 28 -12.097 1.213 -14.538 202 HZ3 LYS 28 HZ3 LYS 28 -11.238 2.357 -15.441 203 H ASP 29 H ASP 29 -7.701 6.395 -15.675 204 HA ASP 29 HA ASP 29 -7.974 7.810 -17.439 205 HB2 ASP 29 HB2 ASP 29 -10.485 7.298 -16.800 206 HB3 ASP 29 3HB ASP 29 -10.469 8.981 -16.281 207 H GLY 30 H GLY 30 -7.116 8.632 -14.518 208 HA2 GLY 30 HA1 GLY 30 -5.763 10.485 -13.986 209 HA3 GLY 30 HA2 GLY 30 -6.524 11.386 -15.288 210 H LYS 31 H LYS 31 -8.584 9.663 -13.136 211 HA LYS 31 HA LYS 31 -8.993 11.950 -11.389 212 HB2 LYS 31 HB2 LYS 31 -11.455 11.964 -11.870 213 HB3 LYS 31 HB3 LYS 31 -10.451 12.565 -13.184 214 HG2 LYS 31 HG2 LYS 31 -10.599 10.185 -14.123 215 HG3 LYS 31 HG3 LYS 31 -11.935 9.972 -12.990 216 HD2 LYS 31 HD2 LYS 31 -13.063 10.678 -14.866 217 HD3 LYS 31 HD3 LYS 31 -12.783 12.217 -14.047 218 HE2 LYS 31 HE2 LYS 31 -10.963 12.743 -15.477 219 HE3 LYS 31 HE3 LYS 31 -10.918 11.108 -16.133 220 HZ1 LYS 31 HZ1 LYS 31 -12.418 11.645 -17.655 221 HZ2 LYS 31 HZ2 LYS 31 -12.254 13.261 -17.185 222 HZ3 LYS 31 HZ3 LYS 31 -13.472 12.303 -16.506 223 H VAL 32 H VAL 32 -10.314 11.465 -9.544 224 HA VAL 32 HA VAL 32 -9.837 9.002 -8.374 225 HB VAL 32 HB VAL 32 -12.106 10.887 -7.723 226 HG11 VAL 32 HG11 VAL 32 -11.344 9.753 -5.377 227 HG12 VAL 32 HG12 VAL 32 -12.691 9.192 -6.369 228 HG13 VAL 32 HG13 VAL 32 -11.116 8.410 -6.498 229 HG21 VAL 32 HG21 VAL 32 -10.388 11.554 -5.893 230 HG22 VAL 32 HG22 VAL 32 -9.202 10.871 -7.005 231 HG23 VAL 32 HG23 VAL 32 -10.219 12.216 -7.519 232 H HIS 33 H HIS 33 -10.484 7.104 -9.170 233 HA HIS 33 HA HIS 33 -12.844 6.744 -10.706 234 HB2 HIS 33 HB2 HIS 33 -10.834 5.311 -10.928 235 HB3 HIS 33 3HB HIS 33 -11.148 4.653 -9.326 236 HD1 HIS 33 HD1 HIS 33 -11.913 2.330 -9.699 237 HD2 HIS 33 HD2 HIS 33 -13.679 4.990 -12.357 238 HE1 HIS 33 HE1 HIS 33 -13.567 0.967 -11.015 239 H TYR 34 H TYR 34 -11.980 5.479 -7.481 240 HA TYR 34 HA TYR 34 -14.767 5.809 -6.657 241 HB2 TYR 34 HB2 TYR 34 -14.899 3.555 -5.756 242 HB3 TYR 34 3HB TYR 34 -14.545 3.485 -7.479 243 HD1 TYR 34 HD1 TYR 34 -11.969 3.354 -8.064 244 HD2 TYR 34 HD2 TYR 34 -13.655 2.239 -4.321 245 HE1 TYR 34 HE1 TYR 34 -10.006 1.944 -7.606 246 HE2 TYR 34 HE2 TYR 34 -11.697 0.827 -3.851 247 HH TYR 34 HH TYR 34 -8.839 0.976 -5.705 248 H GLU 35 H GLU 35 -14.924 5.135 -4.220 249 HA GLU 35 HA GLU 35 -12.488 5.804 -2.755 250 HB2 GLU 35 HB2 GLU 35 -13.695 7.482 -1.389 251 HB3 GLU 35 HB3 GLU 35 -13.528 7.961 -3.071 252 HG2 GLU 35 HG2 GLU 35 -15.927 6.736 -3.153 253 HG3 GLU 35 HG3 GLU 35 -15.938 7.355 -1.503 254 H ASP 36 H ASP 36 -12.241 4.324 -1.232 255 HA ASP 36 HA ASP 36 -14.118 3.713 0.739 256 HB2 ASP 36 HB2 ASP 36 -14.668 2.364 -1.678 257 HB3 ASP 36 3HB ASP 36 -13.973 1.165 -0.591 258 H ALA 37 H ALA 37 -13.211 2.535 2.385 259 HA ALA 37 HA ALA 37 -10.526 1.425 1.878 260 HB1 ALA 37 HB1 ALA 37 -11.155 3.632 3.472 261 HB2 ALA 37 HB2 ALA 37 -10.839 2.312 4.599 262 HB3 ALA 37 HB3 ALA 37 -9.622 2.762 3.404 263 H ASP 38 H ASP 38 -10.012 0.352 4.341 264 HA ASP 38 HA ASP 38 -12.226 -1.281 5.210 265 HB2 ASP 38 HB2 ASP 38 -9.926 -2.453 3.648 266 HB3 ASP 38 3HB ASP 38 -10.915 -3.420 4.738 267 H VAL 39 H VAL 39 -11.749 -2.509 7.109 268 HA VAL 39 HA VAL 39 -9.231 -1.737 8.433 269 HB VAL 39 HB VAL 39 -11.887 -2.047 9.834 270 HG11 VAL 39 HG11 VAL 39 -10.114 -2.467 11.342 271 HG12 VAL 39 HG12 VAL 39 -9.162 -1.122 10.710 272 HG13 VAL 39 HG13 VAL 39 -10.627 -0.806 11.640 273 HG21 VAL 39 HG21 VAL 39 -12.425 -0.037 9.040 274 HG22 VAL 39 HG22 VAL 39 -11.100 0.613 10.006 275 HG23 VAL 39 HG23 VAL 39 -10.830 0.178 8.318 276 H GLY 40 H GLY 40 -8.452 -3.210 10.054 277 HA2 GLY 40 HA1 GLY 40 -9.529 -5.946 9.763 278 HA3 GLY 40 HA2 GLY 40 -7.802 -5.619 9.728 279 H LYS 41 H LYS 41 -9.093 -7.399 11.521 280 HA LYS 41 HA LYS 41 -8.286 -6.157 14.042 281 HB2 LYS 41 HB2 LYS 41 -10.273 -7.265 15.160 282 HB3 LYS 41 HB3 LYS 41 -10.632 -5.857 14.170 283 HG2 LYS 41 HG2 LYS 41 -10.777 -8.470 12.810 284 HG3 LYS 41 HG3 LYS 41 -12.005 -8.153 14.039 285 HD2 LYS 41 HD2 LYS 41 -11.932 -5.794 12.633 286 HD3 LYS 41 HD3 LYS 41 -11.673 -7.003 11.373 287 HE2 LYS 41 HE2 LYS 41 -13.813 -7.559 13.339 288 HE3 LYS 41 HE3 LYS 41 -14.105 -6.242 12.203 289 HZ1 LYS 41 HZ1 LYS 41 -14.150 -7.652 10.435 290 HZ2 LYS 41 HZ2 LYS 41 -14.729 -8.707 11.623 291 HZ3 LYS 41 HZ3 LYS 41 -13.109 -8.783 11.142 292 H ASN 42 H ASN 42 -7.046 -8.095 12.272 293 HA ASN 42 HA ASN 42 -7.341 -10.691 13.467 294 HB2 ASN 42 HB2 ASN 42 -5.320 -9.572 11.516 295 HB3 ASN 42 3HB ASN 42 -5.340 -11.252 12.047 296 HD21 ASN 42 HD21 ASN 42 -5.637 -10.276 9.379 297 HD22 ASN 42 HD22 ASN 42 -7.195 -10.776 8.824 298 HA PRO 43 HA PRO 43 -4.466 -10.402 16.771 299 HB2 PRO 43 HB2 PRO 43 -3.429 -12.910 16.791 300 HB3 PRO 43 HB3 PRO 43 -5.072 -12.547 17.330 301 HG2 PRO 43 HG2 PRO 43 -4.136 -13.635 14.702 302 HG3 PRO 43 HG3 PRO 43 -5.524 -14.132 15.687 303 HD2 PRO 43 HD2 PRO 43 -5.774 -12.528 13.520 304 HD3 PRO 43 HD3 PRO 43 -6.839 -12.395 14.935 305 H ALA 44 H ALA 44 -3.105 -12.141 13.968 306 HA ALA 44 HA ALA 44 -0.416 -11.779 14.517 307 HB1 ALA 44 HB1 ALA 44 -1.839 -12.916 12.487 308 HB2 ALA 44 HB2 ALA 44 -1.075 -11.549 11.675 309 HB3 ALA 44 HB3 ALA 44 -0.085 -12.739 12.521 310 H ALA 45 H ALA 45 -2.753 -9.502 13.331 311 HA ALA 45 HA ALA 45 -0.707 -7.573 12.569 312 HB1 ALA 45 HB1 ALA 45 -2.564 -7.677 11.085 313 HB2 ALA 45 HB2 ALA 45 -3.713 -7.509 12.413 314 HB3 ALA 45 HB3 ALA 45 -2.681 -6.151 11.963 315 H ALA 46 H ALA 46 -3.331 -7.904 14.936 316 HA ALA 46 HA ALA 46 -3.095 -5.448 16.206 317 HB1 ALA 46 HB1 ALA 46 -3.665 -7.896 17.815 318 HB2 ALA 46 HB2 ALA 46 -4.431 -6.308 17.870 319 HB3 ALA 46 HB3 ALA 46 -4.783 -7.411 16.540 320 H THR 47 H THR 47 -1.222 -8.398 16.638 321 HA THR 47 HA THR 47 0.154 -7.646 18.976 322 HB THR 47 HB THR 47 0.199 -9.949 18.293 323 HG1 THR 47 HG1 THR 47 2.090 -9.178 19.362 324 HG21 THR 47 HG21 THR 47 0.766 -8.836 15.711 325 HG22 THR 47 HG22 THR 47 0.305 -10.485 16.133 326 HG23 THR 47 HG23 THR 47 2.005 -10.017 16.133 327 H MET 48 H MET 48 0.391 -6.509 15.776 328 HA MET 48 HA MET 48 3.063 -5.386 16.280 329 HB2 MET 48 HB2 MET 48 1.548 -5.801 13.700 330 HB3 MET 48 HB3 MET 48 3.074 -4.935 13.810 331 HG2 MET 48 HG2 MET 48 3.823 -7.181 15.004 332 HG3 MET 48 HG3 MET 48 2.514 -7.832 14.019 333 HE1 MET 48 HE1 MET 48 2.931 -5.380 11.723 334 HE2 MET 48 HE2 MET 48 3.787 -6.304 10.488 335 HE3 MET 48 HE3 MET 48 2.386 -7.004 11.300 336 H ARG 49 H ARG 49 0.290 -4.456 17.167 337 HA ARG 49 HA ARG 49 -0.736 -2.465 17.560 338 HB2 ARG 49 HB2 ARG 49 1.840 -1.370 16.420 339 HB3 ARG 49 HB3 ARG 49 0.591 -0.382 17.165 340 HG2 ARG 49 HG2 ARG 49 0.979 -2.160 19.131 341 HG3 ARG 49 HG3 ARG 49 2.584 -2.171 18.396 342 HD2 ARG 49 HD2 ARG 49 2.611 0.310 18.569 343 HD3 ARG 49 HD3 ARG 49 1.081 0.226 19.440 344 HE ARG 49 HE ARG 49 3.121 -1.395 20.625 345 HH11 ARG 49 HH11 ARG 49 1.843 1.836 20.403 346 HH12 ARG 49 HH12 ARG 49 2.462 2.327 21.944 347 HH21 ARG 49 HH21 ARG 49 3.941 -0.761 22.656 348 HH22 ARG 49 HH22 ARG 49 3.656 0.848 23.225 349 H ASN 50 H ASN 50 1.023 -1.292 14.735 350 HA ASN 50 HA ASN 50 -1.326 -1.586 13.043 351 HB2 ASN 50 HB2 ASN 50 -0.114 1.152 13.223 352 HB3 ASN 50 3HB ASN 50 -1.705 0.678 12.640 353 HD21 ASN 50 HD21 ASN 50 -3.376 0.447 14.066 354 HD22 ASN 50 HD22 ASN 50 -3.272 0.912 15.728 355 H VAL 51 H VAL 51 1.675 -2.287 13.311 356 HA VAL 51 HA VAL 51 2.933 -1.094 11.042 357 HB VAL 51 HB VAL 51 3.712 -3.674 12.400 358 HG11 VAL 51 HG11 VAL 51 6.010 -2.467 11.651 359 HG12 VAL 51 HG12 VAL 51 5.149 -3.649 10.664 360 HG13 VAL 51 HG13 VAL 51 4.928 -1.924 10.369 361 HG21 VAL 51 HG21 VAL 51 3.677 -0.998 13.441 362 HG22 VAL 51 HG22 VAL 51 4.151 -2.499 14.236 363 HG23 VAL 51 HG23 VAL 51 5.337 -1.578 13.312 364 H ALA 52 H ALA 52 0.995 -3.947 11.585 365 HA ALA 52 HA ALA 52 1.619 -5.193 9.081 366 HB1 ALA 52 HB1 ALA 52 -0.915 -5.975 10.287 367 HB2 ALA 52 HB2 ALA 52 0.508 -6.945 9.908 368 HB3 ALA 52 HB3 ALA 52 0.440 -6.032 11.414 369 H GLY 53 H GLY 53 -1.250 -3.482 10.336 370 HA2 GLY 53 HA1 GLY 53 -2.779 -3.562 8.004 371 HA3 GLY 53 HA2 GLY 53 -2.915 -2.333 9.253 372 H GLU 54 H GLU 54 0.029 -1.700 8.713 373 HA GLU 54 HA GLU 54 -0.471 0.429 6.881 374 HB2 GLU 54 HB2 GLU 54 1.982 -0.572 8.304 375 HB3 GLU 54 HB3 GLU 54 2.089 0.706 7.103 376 HG2 GLU 54 HG2 GLU 54 0.934 2.215 8.400 377 HG3 GLU 54 HG3 GLU 54 0.136 0.955 9.340 378 H ILE 55 H ILE 55 1.697 -2.399 6.734 379 HA ILE 55 HA ILE 55 2.317 -1.984 3.975 380 HB ILE 55 HB ILE 55 2.867 -4.210 5.911 381 HG12 ILE 55 HG12 ILE 55 5.098 -3.118 4.421 382 HG13 ILE 55 HG13 ILE 55 4.177 -1.836 5.201 383 HG21 ILE 55 HG21 ILE 55 2.481 -5.420 3.922 384 HG22 ILE 55 HG22 ILE 55 3.311 -4.216 2.939 385 HG23 ILE 55 HG23 ILE 55 4.231 -5.238 4.041 386 HD11 ILE 55 HD11 ILE 55 5.167 -2.298 7.118 387 HD12 ILE 55 HD12 ILE 55 4.520 -3.938 7.071 388 HD13 ILE 55 HD13 ILE 55 6.084 -3.586 6.336 389 H ALA 56 H ALA 56 -0.021 -3.892 5.745 390 HA ALA 56 HA ALA 56 -0.808 -5.745 3.863 391 HB1 ALA 56 HB1 ALA 56 -3.144 -5.399 4.936 392 HB2 ALA 56 HB2 ALA 56 -1.814 -5.995 5.930 393 HB3 ALA 56 HB3 ALA 56 -2.291 -4.299 6.019 394 H ALA 57 H ALA 57 -1.531 -2.317 4.012 395 HA ALA 57 HA ALA 57 -3.635 -2.192 2.184 396 HB1 ALA 57 HB1 ALA 57 -2.914 -0.316 3.610 397 HB2 ALA 57 HB2 ALA 57 -1.475 -0.131 2.608 398 HB3 ALA 57 HB3 ALA 57 -3.073 0.146 1.916 399 H ALA 58 H ALA 58 -0.132 -1.959 1.626 400 HA ALA 58 HA ALA 58 -0.116 -1.459 -1.087 401 HB1 ALA 58 HB1 ALA 58 2.029 -3.097 -0.854 402 HB2 ALA 58 HB2 ALA 58 2.016 -1.399 -0.376 403 HB3 ALA 58 HB3 ALA 58 1.758 -2.656 0.833 404 H LEU 59 H LEU 59 -0.761 -4.457 0.597 405 HA LEU 59 HA LEU 59 -0.493 -6.211 -1.597 406 HB2 LEU 59 HB2 LEU 59 -2.426 -6.646 0.651 407 HB3 LEU 59 3HB LEU 59 -1.501 -7.841 -0.256 408 HG LEU 59 HG LEU 59 -0.571 -6.027 1.949 409 HD11 LEU 59 HD11 LEU 59 -1.210 -7.956 2.965 410 HD12 LEU 59 HD12 LEU 59 0.429 -8.421 2.512 411 HD13 LEU 59 HD13 LEU 59 -0.938 -8.938 1.525 412 HD21 LEU 59 HD21 LEU 59 0.945 -7.021 -0.347 413 HD22 LEU 59 HD22 LEU 59 1.644 -7.449 1.215 414 HD23 LEU 59 HD23 LEU 59 1.343 -5.756 0.818 415 H TYR 60 H TYR 60 -3.475 -4.971 -0.074 416 HA TYR 60 HA TYR 60 -5.207 -5.872 -2.087 417 HB2 TYR 60 HB2 TYR 60 -5.637 -3.482 -0.288 418 HB3 TYR 60 3HB TYR 60 -6.877 -4.449 -1.078 419 HD1 TYR 60 HD1 TYR 60 -7.368 -6.730 -0.278 420 HD2 TYR 60 HD2 TYR 60 -4.598 -4.214 1.746 421 HE1 TYR 60 HE1 TYR 60 -7.496 -8.188 1.697 422 HE2 TYR 60 HE2 TYR 60 -4.716 -5.666 3.727 423 HH TYR 60 HH TYR 60 -6.328 -7.294 4.721 424 H ALA 61 H ALA 61 -3.357 -2.912 -1.746 425 HA ALA 61 HA ALA 61 -4.619 -1.390 -3.745 426 HB1 ALA 61 HB1 ALA 61 -2.287 -1.172 -2.087 427 HB2 ALA 61 HB2 ALA 61 -1.909 -0.668 -3.735 428 HB3 ALA 61 HB3 ALA 61 -3.233 0.100 -2.860 429 H VAL 62 H VAL 62 -1.997 -3.749 -3.883 430 HA VAL 62 HA VAL 62 -1.436 -3.298 -6.659 431 HB VAL 62 HB VAL 62 -0.621 -5.497 -4.763 432 HG11 VAL 62 HG11 VAL 62 1.051 -6.031 -6.628 433 HG12 VAL 62 HG12 VAL 62 -0.610 -6.589 -6.832 434 HG13 VAL 62 HG13 VAL 62 -0.051 -5.152 -7.689 435 HG21 VAL 62 HG21 VAL 62 0.303 -3.146 -4.526 436 HG22 VAL 62 HG22 VAL 62 1.488 -4.440 -4.700 437 HG23 VAL 62 HG23 VAL 62 1.099 -3.410 -6.078 438 H LYS 63 H LYS 63 -3.158 -5.799 -4.820 439 HA LYS 63 HA LYS 63 -3.801 -7.529 -6.880 440 HB2 LYS 63 HB2 LYS 63 -5.380 -6.779 -4.418 441 HB3 LYS 63 HB3 LYS 63 -5.824 -8.104 -5.486 442 HG2 LYS 63 HG2 LYS 63 -3.670 -9.183 -5.024 443 HG3 LYS 63 HG3 LYS 63 -3.260 -7.865 -3.923 444 HD2 LYS 63 HD2 LYS 63 -4.462 -8.762 -2.271 445 HD3 LYS 63 HD3 LYS 63 -5.860 -8.996 -3.324 446 HE2 LYS 63 HE2 LYS 63 -3.464 -10.821 -3.135 447 HE3 LYS 63 HE3 LYS 63 -5.044 -11.119 -2.411 448 HZ1 LYS 63 HZ1 LYS 63 -5.483 -12.178 -4.307 449 HZ2 LYS 63 HZ2 LYS 63 -4.175 -11.486 -5.127 450 HZ3 LYS 63 HZ3 LYS 63 -5.639 -10.647 -5.008 451 H LYS 64 H LYS 64 -5.588 -4.667 -5.770 452 HA LYS 64 HA LYS 64 -7.604 -4.933 -7.797 453 HB2 LYS 64 HB2 LYS 64 -6.987 -2.517 -6.092 454 HB3 LYS 64 HB3 LYS 64 -8.490 -2.860 -6.940 455 HG2 LYS 64 HG2 LYS 64 -7.913 -5.046 -5.217 456 HG3 LYS 64 HG3 LYS 64 -7.763 -3.546 -4.298 457 HD2 LYS 64 HD2 LYS 64 -9.991 -2.865 -5.061 458 HD3 LYS 64 HD3 LYS 64 -10.138 -4.372 -5.969 459 HE2 LYS 64 HE2 LYS 64 -10.604 -5.579 -4.128 460 HE3 LYS 64 HE3 LYS 64 -9.439 -4.703 -3.137 461 HZ1 LYS 64 HZ1 LYS 64 -11.759 -4.375 -2.432 462 HZ2 LYS 64 HZ2 LYS 64 -12.102 -3.651 -3.922 463 HZ3 LYS 64 HZ3 LYS 64 -11.003 -2.924 -2.862 464 H ALA 65 H ALA 65 -4.602 -3.176 -7.421 465 HA ALA 65 HA ALA 65 -4.814 -1.224 -9.353 466 HB1 ALA 65 HB1 ALA 65 -2.460 -2.873 -8.477 467 HB2 ALA 65 HB2 ALA 65 -2.313 -1.561 -9.648 468 HB3 ALA 65 HB3 ALA 65 -2.882 -1.224 -8.014 469 H SER 66 H SER 66 -4.158 -4.663 -9.763 470 HA SER 66 HA SER 66 -3.545 -4.512 -12.538 471 HB2 SER 66 HB2 SER 66 -2.730 -6.429 -11.424 472 HB3 SER 66 3HB SER 66 -4.299 -6.775 -10.695 473 HG SER 66 HG SER 66 -3.478 -7.129 -13.374 474 H GLN 67 H GLN 67 -6.488 -4.761 -10.701 475 HA GLN 67 HA GLN 67 -8.135 -5.615 -12.880 476 HB2 GLN 67 HB2 GLN 67 -8.933 -4.288 -10.283 477 HB3 GLN 67 HB3 GLN 67 -10.010 -5.133 -11.387 478 HG2 GLN 67 HG2 GLN 67 -8.475 -7.160 -10.984 479 HG3 GLN 67 HG3 GLN 67 -7.904 -6.252 -9.584 480 HE21 GLN 67 HE21 GLN 67 -9.355 -5.795 -7.900 481 HE22 GLN 67 HE22 GLN 67 -10.806 -6.708 -7.686 482 H LEU 68 H LEU 68 -7.511 -2.502 -11.295 483 HA LEU 68 HA LEU 68 -9.240 -1.052 -13.065 484 HB2 LEU 68 HB2 LEU 68 -7.087 0.002 -11.239 485 HB3 LEU 68 3HB LEU 68 -8.399 0.929 -11.964 486 HG LEU 68 HG LEU 68 -9.649 -1.108 -10.510 487 HD11 LEU 68 HD11 LEU 68 -8.043 0.180 -8.449 488 HD12 LEU 68 HD12 LEU 68 -7.117 -0.916 -9.474 489 HD13 LEU 68 HD13 LEU 68 -8.540 -1.503 -8.615 490 HD21 LEU 68 HD21 LEU 68 -9.175 1.777 -9.770 491 HD22 LEU 68 HD22 LEU 68 -10.450 0.734 -9.139 492 HD23 LEU 68 HD23 LEU 68 -10.442 1.186 -10.844 493 H GLY 69 H GLY 69 -6.276 -2.446 -13.510 494 HA2 GLY 69 HA1 GLY 69 -4.775 -2.313 -15.248 495 HA3 GLY 69 HA2 GLY 69 -5.859 -1.161 -16.011 496 H VAL 70 H VAL 70 -4.825 -0.416 -12.824 497 HA VAL 70 HA VAL 70 -3.017 1.635 -13.918 498 HB VAL 70 HB VAL 70 -3.505 3.019 -12.040 499 HG11 VAL 70 HG11 VAL 70 -5.642 3.633 -12.579 500 HG12 VAL 70 HG12 VAL 70 -5.277 2.576 -13.944 501 HG13 VAL 70 HG13 VAL 70 -6.235 1.973 -12.591 502 HG21 VAL 70 HG21 VAL 70 -5.499 1.750 -10.572 503 HG22 VAL 70 HG22 VAL 70 -4.266 0.513 -10.814 504 HG23 VAL 70 HG23 VAL 70 -3.838 2.049 -10.062 505 H LYS 71 H LYS 71 -1.142 2.208 -12.636 506 HA LYS 71 HA LYS 71 -0.093 -0.098 -11.132 507 HB2 LYS 71 HB2 LYS 71 1.502 2.030 -12.567 508 HB3 LYS 71 HB3 LYS 71 2.123 0.555 -11.838 509 HG2 LYS 71 HG2 LYS 71 1.986 -0.330 -13.871 510 HG3 LYS 71 HG3 LYS 71 0.241 -0.376 -13.613 511 HD2 LYS 71 HD2 LYS 71 0.453 2.142 -14.452 512 HD3 LYS 71 HD3 LYS 71 1.875 1.475 -15.258 513 HE2 LYS 71 HE2 LYS 71 -0.893 0.300 -15.455 514 HE3 LYS 71 HE3 LYS 71 -0.214 1.427 -16.628 515 HZ1 LYS 71 HZ1 LYS 71 0.372 -0.507 -17.612 516 HZ2 LYS 71 HZ2 LYS 71 0.421 -1.381 -16.166 517 HZ3 LYS 71 HZ3 LYS 71 1.710 -0.370 -16.587 518 H ILE 72 H ILE 72 2.089 1.023 -9.947 519 HA ILE 72 HA ILE 72 1.184 3.352 -8.439 520 HB ILE 72 HB ILE 72 1.609 2.320 -6.279 521 HG12 ILE 72 HG12 ILE 72 2.208 -0.130 -7.936 522 HG13 ILE 72 HG13 ILE 72 3.263 0.678 -6.782 523 HG21 ILE 72 HG21 ILE 72 -0.250 0.416 -7.631 524 HG22 ILE 72 HG22 ILE 72 -0.416 1.237 -6.080 525 HG23 ILE 72 HG23 ILE 72 -0.639 2.134 -7.581 526 HD11 ILE 72 HD11 ILE 72 2.505 -1.304 -5.754 527 HD12 ILE 72 HD12 ILE 72 1.621 0.021 -4.997 528 HD13 ILE 72 HD13 ILE 72 0.831 -0.986 -6.211 529 H ARG 73 H ARG 73 3.009 3.742 -6.632 530 HA ARG 73 HA ARG 73 5.283 4.588 -7.966 531 HB2 ARG 73 HB2 ARG 73 4.791 5.564 -5.860 532 HB3 ARG 73 HB3 ARG 73 4.788 4.001 -5.054 533 HG2 ARG 73 HG2 ARG 73 6.782 5.331 -4.533 534 HG3 ARG 73 HG3 ARG 73 7.177 3.807 -5.329 535 HD2 ARG 73 HD2 ARG 73 7.911 4.829 -7.223 536 HD3 ARG 73 HD3 ARG 73 6.776 6.170 -7.068 537 HE ARG 73 HE ARG 73 8.549 6.501 -5.008 538 HH11 ARG 73 HH11 ARG 73 8.779 6.244 -8.472 539 HH12 ARG 73 HH12 ARG 73 10.189 7.246 -8.584 540 HH21 ARG 73 HH21 ARG 73 10.405 7.821 -5.142 541 HH22 ARG 73 HH22 ARG 73 11.113 8.141 -6.688 542 H ILE 74 H ILE 74 7.040 3.602 -8.712 543 HA ILE 74 HA ILE 74 7.683 0.918 -7.676 544 HB ILE 74 HB ILE 74 8.509 0.303 -9.884 545 HG12 ILE 74 HG12 ILE 74 7.457 2.992 -10.788 546 HG13 ILE 74 HG13 ILE 74 9.159 2.577 -10.617 547 HG21 ILE 74 HG21 ILE 74 6.465 -0.238 -10.755 548 HG22 ILE 74 HG22 ILE 74 5.986 0.241 -9.128 549 HG23 ILE 74 HG23 ILE 74 5.796 1.367 -10.472 550 HD11 ILE 74 HD11 ILE 74 7.192 1.706 -12.669 551 HD12 ILE 74 HD12 ILE 74 8.848 2.282 -12.861 552 HD13 ILE 74 HD13 ILE 74 8.546 0.650 -12.267 553 H LEU 75 H LEU 75 10.062 0.401 -8.701 554 HA LEU 75 HA LEU 75 12.281 0.712 -8.282 555 HB2 LEU 75 HB2 LEU 75 11.395 2.678 -10.012 556 HB3 LEU 75 3HB LEU 75 12.316 3.570 -8.803 557 HG LEU 75 HG LEU 75 14.245 2.048 -9.262 558 HD11 LEU 75 HD11 LEU 75 12.386 1.072 -11.414 559 HD12 LEU 75 HD12 LEU 75 13.211 0.130 -10.174 560 HD13 LEU 75 HD13 LEU 75 14.135 0.862 -11.486 561 HD21 LEU 75 HD21 LEU 75 13.862 3.118 -11.909 562 HD22 LEU 75 HD22 LEU 75 14.965 3.639 -10.636 563 HD23 LEU 75 HD23 LEU 75 13.316 4.264 -10.685 564 H HIS 76 H HIS 76 13.781 2.818 -7.349 565 HA HIS 76 HA HIS 76 13.589 2.622 -4.612 566 HB2 HIS 76 HB2 HIS 76 14.978 4.727 -4.552 567 HB3 HIS 76 3HB HIS 76 15.610 3.448 -5.584 568 HD1 HIS 76 HD1 HIS 76 14.428 6.937 -5.636 569 HD2 HIS 76 HD2 HIS 76 15.323 3.959 -8.392 570 HE1 HIS 76 HE1 HIS 76 14.619 8.109 -7.854 571 H ASP 77 H ASP 77 11.735 3.014 -3.550 572 HA ASP 77 HA ASP 77 10.236 5.458 -4.123 573 HB2 ASP 77 HB2 ASP 77 8.965 3.365 -3.992 574 HB3 ASP 77 3HB ASP 77 9.552 3.102 -2.351 575 H TYR 78 H TYR 78 10.358 7.205 -2.877 576 HA TYR 78 HA TYR 78 12.151 7.327 -0.680 577 HB2 TYR 78 HB2 TYR 78 10.790 9.171 -2.340 578 HB3 TYR 78 3HB TYR 78 10.336 9.552 -0.682 579 HD1 TYR 78 HD1 TYR 78 12.731 9.010 0.846 580 HD2 TYR 78 HD2 TYR 78 12.349 10.739 -3.023 581 HE1 TYR 78 HE1 TYR 78 14.868 10.184 1.167 582 HE2 TYR 78 HE2 TYR 78 14.486 11.917 -2.714 583 HH TYR 78 HH TYR 78 16.612 11.213 -0.102 584 H ALA 79 H ALA 79 8.977 6.261 -0.919 585 HA ALA 79 HA ALA 79 7.767 7.145 1.427 586 HB1 ALA 79 HB1 ALA 79 6.208 5.440 1.138 587 HB2 ALA 79 HB2 ALA 79 6.795 5.746 -0.497 588 HB3 ALA 79 HB3 ALA 79 7.389 4.352 0.407 589 H GLY 80 H GLY 80 7.146 5.293 3.160 590 HA2 GLY 80 HA1 GLY 80 9.486 4.972 4.733 591 HA3 GLY 80 HA2 GLY 80 7.900 4.306 5.094 592 H ILE 81 H ILE 81 8.016 2.988 2.335 593 HA ILE 81 HA ILE 81 8.795 0.442 3.177 594 HB ILE 81 HB ILE 81 8.692 1.402 0.316 595 HG12 ILE 81 HG12 ILE 81 6.615 1.988 1.434 596 HG13 ILE 81 HG13 ILE 81 6.337 0.622 0.359 597 HG21 ILE 81 HG21 ILE 81 7.763 -1.181 0.413 598 HG22 ILE 81 HG22 ILE 81 9.384 -0.686 -0.073 599 HG23 ILE 81 HG23 ILE 81 9.078 -1.190 1.589 600 HD11 ILE 81 HD11 ILE 81 5.830 0.842 3.147 601 HD12 ILE 81 HD12 ILE 81 5.459 -0.488 2.051 602 HD13 ILE 81 HD13 ILE 81 7.015 -0.437 2.878 603 H ALA 82 H ALA 82 10.671 3.071 2.024 604 HA ALA 82 HA ALA 82 12.882 1.600 1.002 605 HB1 ALA 82 HB1 ALA 82 13.633 4.182 2.035 606 HB2 ALA 82 HB2 ALA 82 13.579 3.612 0.367 607 HB3 ALA 82 HB3 ALA 82 12.130 4.284 1.117 608 H PHE 83 H PHE 83 12.023 2.859 4.173 609 HA PHE 83 HA PHE 83 14.552 2.344 5.379 610 HB2 PHE 83 HB2 PHE 83 12.810 3.967 6.227 611 HB3 PHE 83 3HB PHE 83 11.890 2.574 6.785 612 HD1 PHE 83 HD1 PHE 83 14.876 4.614 7.308 613 HD2 PHE 83 HD2 PHE 83 12.623 1.274 8.679 614 HE1 PHE 83 HE1 PHE 83 16.162 4.613 9.407 615 HE2 PHE 83 HE2 PHE 83 13.904 1.268 10.780 616 HZ PHE 83 HZ PHE 83 15.677 2.938 11.146 617 H TRP 84 H TRP 84 11.523 0.556 5.123 618 HA TRP 84 HA TRP 84 12.421 -1.592 6.809 619 HB2 TRP 84 HB2 TRP 84 10.119 -1.438 6.872 620 HB3 TRP 84 3HB TRP 84 9.992 -1.035 5.162 621 HD1 TRP 84 HD1 TRP 84 11.494 -4.191 6.863 622 HE1 TRP 84 HE1 TRP 84 10.369 -6.257 5.820 623 HE3 TRP 84 HE3 TRP 84 8.216 -1.833 3.728 624 HZ2 TRP 84 HZ2 TRP 84 8.357 -6.813 3.919 625 HZ3 TRP 84 HZ3 TRP 84 6.726 -3.204 2.332 626 HH2 TRP 84 HH2 TRP 84 6.797 -5.642 2.426 627 H ALA 85 H ALA 85 12.162 -1.007 3.339 628 HA ALA 85 HA ALA 85 12.649 -3.528 2.334 629 HB1 ALA 85 HB1 ALA 85 13.195 -0.775 1.367 630 HB2 ALA 85 HB2 ALA 85 13.958 -2.117 0.513 631 HB3 ALA 85 HB3 ALA 85 12.202 -2.051 0.660 632 H THR 86 H THR 86 14.860 -1.321 3.883 633 HA THR 86 HA THR 86 17.273 -2.546 3.030 634 HB THR 86 HB THR 86 18.389 -1.229 4.668 635 HG1 THR 86 HG1 THR 86 17.424 -0.495 6.484 636 HG21 THR 86 HG21 THR 86 16.675 -0.121 2.823 637 HG22 THR 86 HG22 THR 86 17.911 0.751 3.728 638 HG23 THR 86 HG23 THR 86 16.247 0.723 4.310 639 H GLY 87 H GLY 87 15.227 -2.948 5.897 640 HA2 GLY 87 HA1 GLY 87 15.249 -4.528 7.570 641 HA3 GLY 87 HA2 GLY 87 15.664 -5.638 6.271 642 H GLU 88 H GLU 88 16.932 -3.592 8.819 643 HA GLU 88 HA GLU 88 19.669 -4.287 8.393 644 HB2 GLU 88 HB2 GLU 88 18.136 -2.658 10.267 645 HB3 GLU 88 HB3 GLU 88 19.470 -3.505 11.040 646 HG2 GLU 88 HG2 GLU 88 20.463 -1.535 10.417 647 HG3 GLU 88 HG3 GLU 88 20.865 -2.581 9.057 648 H TRP 89 H TRP 89 17.475 -5.094 11.090 649 HA TRP 89 HA TRP 89 19.116 -7.442 11.668 650 HB2 TRP 89 HB2 TRP 89 17.225 -5.758 13.203 651 HB3 TRP 89 3HB TRP 89 17.226 -7.474 13.601 652 HD1 TRP 89 HD1 TRP 89 20.319 -5.320 12.721 653 HE1 TRP 89 HE1 TRP 89 21.950 -5.420 14.710 654 HE3 TRP 89 HE3 TRP 89 17.460 -8.029 15.979 655 HZ2 TRP 89 HZ2 TRP 89 22.016 -6.504 17.315 656 HZ3 TRP 89 HZ3 TRP 89 18.380 -8.556 18.200 657 HH2 TRP 89 HH2 TRP 89 20.612 -7.809 18.851 658 H LYS 90 H LYS 90 18.068 -9.507 12.122 659 HA LYS 90 HA LYS 90 16.338 -10.292 10.026 660 HB2 LYS 90 HB2 LYS 90 17.297 -11.682 12.522 661 HB3 LYS 90 HB3 LYS 90 16.209 -12.459 11.381 662 HG2 LYS 90 HG2 LYS 90 17.967 -11.916 9.608 663 HG3 LYS 90 HG3 LYS 90 19.047 -11.590 10.965 664 HD2 LYS 90 HD2 LYS 90 17.511 -14.158 10.821 665 HD3 LYS 90 HD3 LYS 90 19.016 -13.959 9.919 666 HE2 LYS 90 HE2 LYS 90 20.291 -13.990 11.787 667 HE3 LYS 90 HE3 LYS 90 19.086 -13.137 12.751 668 HZ1 LYS 90 HZ1 LYS 90 17.792 -15.334 12.591 669 HZ2 LYS 90 HZ2 LYS 90 19.099 -15.245 13.661 670 HZ3 LYS 90 HZ3 LYS 90 19.280 -16.019 12.168 671 H ALA 91 H ALA 91 14.493 -8.961 10.208 672 HA ALA 91 HA ALA 91 12.858 -9.061 12.581 673 HB1 ALA 91 HB1 ALA 91 11.225 -7.858 10.916 674 HB2 ALA 91 HB2 ALA 91 12.631 -7.016 11.570 675 HB3 ALA 91 HB3 ALA 91 12.687 -7.691 9.941 676 H LYS 92 H LYS 92 13.418 -11.266 10.251 677 HA LYS 92 HA LYS 92 11.031 -12.149 9.237 678 HB2 LYS 92 HB2 LYS 92 13.293 -13.846 10.311 679 HB3 LYS 92 HB3 LYS 92 12.020 -14.419 9.241 680 HG2 LYS 92 HG2 LYS 92 12.925 -13.450 7.414 681 HG3 LYS 92 HG3 LYS 92 13.549 -12.068 8.319 682 HD2 LYS 92 HD2 LYS 92 15.308 -13.531 9.262 683 HD3 LYS 92 HD3 LYS 92 14.710 -14.854 8.257 684 HE2 LYS 92 HE2 LYS 92 15.058 -13.203 6.297 685 HE3 LYS 92 HE3 LYS 92 16.076 -12.317 7.432 686 HZ1 LYS 92 HZ1 LYS 92 16.443 -15.174 6.709 687 HZ2 LYS 92 HZ2 LYS 92 17.455 -14.250 7.701 688 HZ3 LYS 92 HZ3 LYS 92 17.329 -13.891 6.052 689 H ASN 93 H ASN 93 12.144 -12.289 12.522 690 HA ASN 93 HA ASN 93 10.630 -14.313 13.613 691 HB2 ASN 93 HB2 ASN 93 11.764 -11.771 14.621 692 HB3 ASN 93 3HB ASN 93 10.478 -12.476 15.596 693 HD21 ASN 93 HD21 ASN 93 13.553 -13.238 14.036 694 HD22 ASN 93 HD22 ASN 93 14.061 -14.401 15.208 695 H GLU 94 H GLU 94 9.597 -11.187 12.471 696 HA GLU 94 HA GLU 94 6.980 -11.379 13.684 697 HB2 GLU 94 HB2 GLU 94 7.840 -9.448 11.533 698 HB3 GLU 94 HB3 GLU 94 6.526 -9.264 12.686 699 HG2 GLU 94 HG2 GLU 94 9.454 -9.317 13.382 700 HG3 GLU 94 HG3 GLU 94 8.463 -7.868 13.233 701 H PHE 95 H PHE 95 5.266 -10.524 11.758 702 HA PHE 95 HA PHE 95 5.115 -12.875 10.016 703 HB2 PHE 95 HB2 PHE 95 2.942 -10.860 10.616 704 HB3 PHE 95 3HB PHE 95 2.752 -12.430 9.841 705 HD1 PHE 95 HD1 PHE 95 2.828 -14.477 11.139 706 HD2 PHE 95 HD2 PHE 95 3.218 -10.669 13.000 707 HE1 PHE 95 HE1 PHE 95 2.405 -15.509 13.332 708 HE2 PHE 95 HE2 PHE 95 2.797 -11.695 15.196 709 HZ PHE 95 HZ PHE 95 2.391 -14.118 15.365 710 H THR 96 H THR 96 5.951 -9.630 9.908 711 HA THR 96 HA THR 96 4.920 -8.671 7.529 712 HB THR 96 HB THR 96 7.790 -8.115 8.135 713 HG1 THR 96 HG1 THR 96 5.615 -7.186 9.729 714 HG21 THR 96 HG21 THR 96 7.118 -5.831 7.612 715 HG22 THR 96 HG22 THR 96 5.434 -6.338 7.490 716 HG23 THR 96 HG23 THR 96 6.620 -6.928 6.326 717 H GLN 97 H GLN 97 7.355 -11.090 8.051 718 HA GLN 97 HA GLN 97 8.778 -11.087 5.702 719 HB2 GLN 97 HB2 GLN 97 8.376 -12.876 7.841 720 HB3 GLN 97 HB3 GLN 97 8.075 -13.798 6.374 721 HG2 GLN 97 HG2 GLN 97 10.411 -12.255 5.958 722 HG3 GLN 97 HG3 GLN 97 10.553 -13.044 7.528 723 HE21 GLN 97 HE21 GLN 97 9.168 -15.376 7.051 724 HE22 GLN 97 HE22 GLN 97 10.029 -16.325 5.890 725 H ALA 98 H ALA 98 5.708 -12.791 6.305 726 HA ALA 98 HA ALA 98 5.332 -13.912 3.809 727 HB1 ALA 98 HB1 ALA 98 3.574 -13.140 6.043 728 HB2 ALA 98 HB2 ALA 98 2.785 -13.349 4.479 729 HB3 ALA 98 HB3 ALA 98 3.714 -14.673 5.181 730 H TYR 99 H TYR 99 4.490 -10.655 4.917 731 HA TYR 99 HA TYR 99 3.055 -9.755 2.735 732 HB2 TYR 99 HB2 TYR 99 5.017 -8.197 4.430 733 HB3 TYR 99 3HB TYR 99 3.801 -7.485 3.376 734 HD1 TYR 99 HD1 TYR 99 1.930 -10.015 4.320 735 HD2 TYR 99 HD2 TYR 99 3.911 -6.751 6.199 736 HE1 TYR 99 HE1 TYR 99 0.296 -10.088 6.156 737 HE2 TYR 99 HE2 TYR 99 2.282 -6.816 8.040 738 HH TYR 99 HH TYR 99 -0.352 -9.202 8.080 739 H ALA 100 H ALA 100 6.533 -10.068 3.133 740 HA ALA 100 HA ALA 100 7.227 -8.680 0.741 741 HB1 ALA 100 HB1 ALA 100 8.908 -8.783 2.378 742 HB2 ALA 100 HB2 ALA 100 8.739 -10.530 2.563 743 HB3 ALA 100 HB3 ALA 100 9.452 -9.864 1.094 744 H LYS 101 H LYS 101 6.330 -11.953 1.505 745 HA LYS 101 HA LYS 101 7.320 -13.116 -0.917 746 HB2 LYS 101 HB2 LYS 101 5.125 -14.274 0.786 747 HB3 LYS 101 HB3 LYS 101 6.312 -15.123 -0.196 748 HG2 LYS 101 HG2 LYS 101 6.931 -13.568 2.307 749 HG3 LYS 101 HG3 LYS 101 6.752 -15.322 2.211 750 HD2 LYS 101 HD2 LYS 101 8.572 -14.752 0.216 751 HD3 LYS 101 HD3 LYS 101 9.016 -13.632 1.506 752 HE2 LYS 101 HE2 LYS 101 9.322 -15.403 3.055 753 HE3 LYS 101 HE3 LYS 101 8.563 -16.571 1.973 754 HZ1 LYS 101 HZ1 LYS 101 10.643 -15.535 0.529 755 HZ2 LYS 101 HZ2 LYS 101 10.607 -17.045 1.289 756 HZ3 LYS 101 HZ3 LYS 101 11.280 -15.714 2.086 757 H LEU 102 H LEU 102 4.169 -11.958 0.205 758 HA LEU 102 HA LEU 102 2.589 -12.784 -1.919 759 HB2 LEU 102 HB2 LEU 102 2.337 -10.185 -0.415 760 HB3 LEU 102 3HB LEU 102 1.061 -11.013 -1.304 761 HG LEU 102 HG LEU 102 2.406 -12.078 1.179 762 HD11 LEU 102 HD11 LEU 102 -0.249 -10.703 0.801 763 HD12 LEU 102 HD12 LEU 102 1.121 -10.132 1.752 764 HD13 LEU 102 HD13 LEU 102 0.234 -11.569 2.261 765 HD21 LEU 102 HD21 LEU 102 1.217 -13.962 0.936 766 HD22 LEU 102 HD22 LEU 102 1.120 -13.491 -0.761 767 HD23 LEU 102 HD23 LEU 102 -0.205 -13.108 0.338 768 H MET 103 H MET 103 5.024 -10.356 -1.817 769 HA MET 103 HA MET 103 4.270 -8.581 -3.785 770 HB2 MET 103 HB2 MET 103 6.264 -8.127 -2.600 771 HB3 MET 103 HB3 MET 103 6.969 -9.679 -3.032 772 HG2 MET 103 HG2 MET 103 7.681 -8.956 -5.044 773 HG3 MET 103 HG3 MET 103 6.294 -7.894 -5.275 774 HE1 MET 103 HE1 MET 103 10.338 -7.218 -3.571 775 HE2 MET 103 HE2 MET 103 9.650 -8.508 -4.558 776 HE3 MET 103 HE3 MET 103 10.102 -6.974 -5.302 777 H ASN 104 H ASN 104 6.439 -11.355 -4.375 778 HA ASN 104 HA ASN 104 6.300 -11.268 -7.153 779 HB2 ASN 104 HB2 ASN 104 8.016 -12.556 -6.042 780 HB3 ASN 104 3HB ASN 104 6.810 -13.611 -5.311 781 HD21 ASN 104 HD21 ASN 104 5.608 -15.016 -6.696 782 HD22 ASN 104 HD22 ASN 104 6.289 -15.551 -8.191 783 H GLN 105 H GLN 105 4.111 -12.646 -4.820 784 HA GLN 105 HA GLN 105 2.687 -14.459 -6.331 785 HB2 GLN 105 HB2 GLN 105 2.375 -13.209 -3.848 786 HB3 GLN 105 HB3 GLN 105 0.897 -12.844 -4.727 787 HG2 GLN 105 HG2 GLN 105 1.938 -15.641 -4.641 788 HG3 GLN 105 HG3 GLN 105 1.037 -14.980 -3.276 789 HE21 GLN 105 HE21 GLN 105 0.823 -15.150 -6.816 790 HE22 GLN 105 HE22 GLN 105 -0.870 -15.485 -6.868 791 H TYR 106 H TYR 106 2.155 -10.953 -6.083 792 HA TYR 106 HA TYR 106 0.658 -11.100 -8.615 793 HB2 TYR 106 HB2 TYR 106 -0.521 -8.972 -7.585 794 HB3 TYR 106 3HB TYR 106 -1.087 -10.593 -7.201 795 HD1 TYR 106 HD1 TYR 106 1.145 -7.894 -5.938 796 HD2 TYR 106 HD2 TYR 106 -1.242 -11.281 -4.978 797 HE1 TYR 106 HE1 TYR 106 1.462 -7.430 -3.544 798 HE2 TYR 106 HE2 TYR 106 -0.933 -10.827 -2.581 799 HH TYR 106 HH TYR 106 -0.282 -9.203 -1.083 800 H ARG 107 H ARG 107 3.446 -10.607 -8.311 801 HA ARG 107 HA ARG 107 3.962 -7.797 -8.430 802 HB2 ARG 107 HB2 ARG 107 6.222 -8.391 -8.914 803 HB3 ARG 107 HB3 ARG 107 5.626 -9.547 -7.729 804 HG2 ARG 107 HG2 ARG 107 6.561 -11.044 -9.114 805 HG3 ARG 107 HG3 ARG 107 5.048 -10.862 -10.005 806 HD2 ARG 107 HD2 ARG 107 6.013 -9.606 -11.658 807 HD3 ARG 107 HD3 ARG 107 7.267 -8.973 -10.592 808 HE ARG 107 HE ARG 107 7.371 -11.386 -12.157 809 HH11 ARG 107 HH11 ARG 107 8.646 -9.690 -9.398 810 HH12 ARG 107 HH12 ARG 107 10.141 -10.567 -9.385 811 HH21 ARG 107 HH21 ARG 107 9.335 -12.548 -12.151 812 HH22 ARG 107 HH22 ARG 107 10.531 -12.191 -10.952 813 H GLY 108 H GLY 108 4.992 -6.762 -10.345 814 HA2 GLY 108 HA1 GLY 108 5.286 -7.053 -12.826 815 HA3 GLY 108 HA2 GLY 108 3.635 -7.653 -12.814 816 H ILE 109 H ILE 109 2.201 -5.959 -11.407 817 HA ILE 109 HA ILE 109 2.032 -3.664 -13.072 818 HB ILE 109 HB ILE 109 0.297 -2.909 -11.380 819 HG12 ILE 109 HG12 ILE 109 1.547 -4.703 -9.723 820 HG13 ILE 109 HG13 ILE 109 -0.061 -4.037 -9.461 821 HG21 ILE 109 HG21 ILE 109 0.069 -5.587 -12.736 822 HG22 ILE 109 HG22 ILE 109 -1.299 -4.727 -12.032 823 HG23 ILE 109 HG23 ILE 109 -0.403 -4.011 -13.371 824 HD11 ILE 109 HD11 ILE 109 0.444 -6.582 -10.975 825 HD12 ILE 109 HD12 ILE 109 0.127 -6.519 -9.240 826 HD13 ILE 109 HD13 ILE 109 -1.095 -5.959 -10.382 827 H TYR 110 H TYR 110 3.439 -4.290 -9.936 828 HA TYR 110 HA TYR 110 4.395 -1.505 -9.872 829 HB2 TYR 110 HB2 TYR 110 4.045 -1.330 -7.572 830 HB3 TYR 110 3HB TYR 110 2.615 -2.199 -8.119 831 HD1 TYR 110 HD1 TYR 110 2.444 -4.654 -7.733 832 HD2 TYR 110 HD2 TYR 110 5.596 -2.330 -6.071 833 HE1 TYR 110 HE1 TYR 110 2.927 -6.462 -6.138 834 HE2 TYR 110 HE2 TYR 110 6.088 -4.131 -4.470 835 HH TYR 110 HH TYR 110 4.466 -6.178 -3.449 836 H SER 111 H SER 111 6.282 -1.412 -8.138 837 HA SER 111 HA SER 111 7.983 -3.763 -8.214 838 HB2 SER 111 HB2 SER 111 9.456 -1.388 -9.112 839 HB3 SER 111 3HB SER 111 9.516 -3.046 -9.711 840 HG SER 111 HG SER 111 7.991 -2.604 -11.142 841 H PHE 112 H PHE 112 9.666 -3.716 -6.700 842 HA PHE 112 HA PHE 112 10.159 -1.372 -5.108 843 HB2 PHE 112 HB2 PHE 112 8.244 -3.402 -4.226 844 HB3 PHE 112 3HB PHE 112 9.533 -3.113 -3.061 845 HD1 PHE 112 HD1 PHE 112 9.999 -0.643 -2.454 846 HD2 PHE 112 HD2 PHE 112 6.404 -2.006 -4.281 847 HE1 PHE 112 HE1 PHE 112 8.839 1.379 -1.670 848 HE2 PHE 112 HE2 PHE 112 5.238 0.015 -3.501 849 HZ PHE 112 HZ PHE 112 6.455 1.712 -2.195 850 H GLU 113 H GLU 113 11.760 -1.826 -3.358 851 HA GLU 113 HA GLU 113 13.797 -3.597 -4.391 852 HB2 GLU 113 HB2 GLU 113 13.723 -1.240 -2.771 853 HB3 GLU 113 HB3 GLU 113 14.578 -2.500 -1.892 854 HG2 GLU 113 HG2 GLU 113 16.269 -2.630 -3.442 855 HG3 GLU 113 HG3 GLU 113 15.268 -1.988 -4.743 856 H LYS 114 H LYS 114 15.146 -4.606 -2.363 857 HA LYS 114 HA LYS 114 13.844 -6.922 -1.641 858 HB2 LYS 114 HB2 LYS 114 16.345 -6.289 -1.466 859 HB3 LYS 114 HB3 LYS 114 15.935 -5.692 0.136 860 HG2 LYS 114 HG2 LYS 114 15.148 -7.903 0.777 861 HG3 LYS 114 HG3 LYS 114 15.514 -8.511 -0.839 862 HD2 LYS 114 HD2 LYS 114 17.905 -7.715 -0.397 863 HD3 LYS 114 HD3 LYS 114 17.418 -7.585 1.294 864 HE2 LYS 114 HE2 LYS 114 17.064 -10.100 -0.320 865 HE3 LYS 114 HE3 LYS 114 18.528 -9.755 0.601 866 HZ1 LYS 114 HZ1 LYS 114 17.433 -10.788 2.240 867 HZ2 LYS 114 HZ2 LYS 114 15.914 -10.567 1.528 868 HZ3 LYS 114 HZ3 LYS 114 16.616 -9.318 2.428 869 H VAL 115 H VAL 115 13.215 -7.690 0.526 870 HA VAL 115 HA VAL 115 12.327 -5.677 2.419 871 HB VAL 115 HB VAL 115 10.009 -6.984 2.373 872 HG11 VAL 115 HG11 VAL 115 10.271 -4.572 2.209 873 HG12 VAL 115 HG12 VAL 115 10.726 -4.721 0.510 874 HG13 VAL 115 HG13 VAL 115 9.095 -5.148 1.028 875 HG21 VAL 115 HG21 VAL 115 10.958 -8.335 0.386 876 HG22 VAL 115 HG22 VAL 115 9.305 -7.732 0.286 877 HG23 VAL 115 HG23 VAL 115 10.602 -6.892 -0.562 878 H LYS 116 H LYS 116 12.639 -6.410 4.413 879 HA LYS 116 HA LYS 116 12.986 -9.299 4.802 880 HB2 LYS 116 HB2 LYS 116 14.091 -6.873 6.148 881 HB3 LYS 116 HB3 LYS 116 13.935 -8.353 7.084 882 HG2 LYS 116 HG2 LYS 116 15.187 -8.734 4.473 883 HG3 LYS 116 HG3 LYS 116 16.084 -7.667 5.555 884 HD2 LYS 116 HD2 LYS 116 15.730 -9.501 7.322 885 HD3 LYS 116 HD3 LYS 116 15.307 -10.539 5.958 886 HE2 LYS 116 HE2 LYS 116 17.473 -10.917 5.643 887 HE3 LYS 116 HE3 LYS 116 17.670 -9.216 5.223 888 HZ1 LYS 116 HZ1 LYS 116 18.230 -8.685 7.437 889 HZ2 LYS 116 HZ2 LYS 116 19.135 -10.061 7.053 890 HZ3 LYS 116 HZ3 LYS 116 17.753 -10.201 8.017 891 H ALA 117 H ALA 117 12.106 -6.765 7.119 892 HA ALA 117 HA ALA 117 9.413 -7.344 7.429 893 HB1 ALA 117 HB1 ALA 117 9.660 -8.666 9.653 894 HB2 ALA 117 HB2 ALA 117 9.733 -9.526 8.114 895 HB3 ALA 117 HB3 ALA 117 11.220 -9.146 8.984 896 H HIS 118 H HIS 118 8.524 -6.539 9.532 897 HA HIS 118 HA HIS 118 8.307 -4.812 11.000 898 HB2 HIS 118 HB2 HIS 118 10.373 -6.367 11.872 899 HB3 HIS 118 3HB HIS 118 11.147 -4.788 11.781 900 HD1 HIS 118 HD1 HIS 118 10.819 -6.013 14.511 901 HD2 HIS 118 HD2 HIS 118 7.936 -3.578 12.774 902 HE1 HIS 118 HE1 HIS 118 9.468 -5.099 16.425 903 H SER 119 H SER 119 9.994 -2.807 11.854 904 HA SER 119 HA SER 119 10.848 -0.771 11.288 905 HB2 SER 119 HB2 SER 119 11.462 -1.852 8.540 906 HB3 SER 119 3HB SER 119 12.295 -0.573 9.424 907 HG SER 119 HG SER 119 12.348 -3.360 9.886 908 H GLY 120 H GLY 120 9.739 1.013 10.805 909 HA2 GLY 120 HA1 GLY 120 8.653 2.189 8.830 910 HA3 GLY 120 HA2 GLY 120 7.600 0.781 8.784 911 H ASN 121 H ASN 121 8.238 3.816 10.252 912 HA ASN 121 HA ASN 121 5.779 3.532 11.839 913 HB2 ASN 121 HB2 ASN 121 8.083 5.168 12.859 914 HB3 ASN 121 3HB ASN 121 6.717 4.504 13.751 915 HD21 ASN 121 HD21 ASN 121 9.748 3.743 12.177 916 HD22 ASN 121 HD22 ASN 121 10.031 2.259 13.017 917 H GLU 122 H GLU 122 8.155 6.104 11.151 918 HA GLU 122 HA GLU 122 5.921 7.861 10.421 919 HB2 GLU 122 HB2 GLU 122 7.414 8.672 12.193 920 HB3 GLU 122 HB3 GLU 122 8.787 8.539 11.104 921 HG2 GLU 122 HG2 GLU 122 7.677 10.199 9.615 922 HG3 GLU 122 HG3 GLU 122 6.448 10.412 10.861 923 H PHE 123 H PHE 123 8.915 6.491 9.224 924 HA PHE 123 HA PHE 123 9.363 7.991 6.958 925 HB2 PHE 123 HB2 PHE 123 9.655 4.986 7.118 926 HB3 PHE 123 3HB PHE 123 10.535 6.081 6.056 927 HD1 PHE 123 HD1 PHE 123 12.158 7.704 7.058 928 HD2 PHE 123 HD2 PHE 123 10.398 4.542 9.299 929 HE1 PHE 123 HE1 PHE 123 13.929 7.923 8.751 930 HE2 PHE 123 HE2 PHE 123 12.166 4.758 10.997 931 HZ PHE 123 HZ PHE 123 13.935 6.449 10.724 932 H ASN 124 H ASN 124 6.910 5.578 7.543 933 HA ASN 124 HA ASN 124 6.121 5.326 4.797 934 HB2 ASN 124 HB2 ASN 124 4.243 4.633 7.006 935 HB3 ASN 124 3HB ASN 124 4.609 3.752 5.526 936 HD21 ASN 124 HD21 ASN 124 6.486 2.473 5.437 937 HD22 ASN 124 HD22 ASN 124 7.257 1.913 6.879 938 H ASP 125 H ASP 125 4.923 7.092 7.621 939 HA ASP 125 HA ASP 125 2.565 8.112 6.619 940 HB2 ASP 125 HB2 ASP 125 4.485 8.905 8.702 941 HB3 ASP 125 3HB ASP 125 3.513 10.230 8.068 942 H TYR 126 H TYR 126 5.807 8.889 5.726 943 HA TYR 126 HA TYR 126 5.600 11.450 4.727 944 HB2 TYR 126 HB2 TYR 126 7.752 10.607 4.632 945 HB3 TYR 126 3HB TYR 126 7.234 9.067 3.959 946 HD1 TYR 126 HD1 TYR 126 6.743 8.865 1.552 947 HD2 TYR 126 HD2 TYR 126 8.272 12.471 3.213 948 HE1 TYR 126 HE1 TYR 126 7.354 9.638 -0.702 949 HE2 TYR 126 HE2 TYR 126 8.885 13.254 0.964 950 HH TYR 126 HH TYR 126 9.419 11.711 -1.438 951 H VAL 127 H VAL 127 4.354 8.468 3.409 952 HA VAL 127 HA VAL 127 3.889 9.202 0.769 953 HB VAL 127 HB VAL 127 2.004 7.561 0.823 954 HG11 VAL 127 HG11 VAL 127 3.451 5.604 1.433 955 HG12 VAL 127 HG12 VAL 127 4.180 6.744 0.299 956 HG13 VAL 127 HG13 VAL 127 4.659 6.758 1.997 957 HG21 VAL 127 HG21 VAL 127 2.454 6.361 3.330 958 HG22 VAL 127 HG22 VAL 127 2.187 8.077 3.632 959 HG23 VAL 127 HG23 VAL 127 0.981 7.140 2.750 960 H ASP 128 H ASP 128 2.318 10.231 3.667 961 HA ASP 128 HA ASP 128 -0.168 11.032 2.651 962 HB2 ASP 128 HB2 ASP 128 0.877 10.992 5.113 963 HB3 ASP 128 3HB ASP 128 1.110 12.701 4.757 964 H MET 129 H MET 129 2.851 12.878 3.035 965 HA MET 129 HA MET 129 1.803 15.234 1.817 966 HB2 MET 129 HB2 MET 129 4.097 14.564 3.262 967 HB3 MET 129 HB3 MET 129 4.691 15.015 1.669 968 HG2 MET 129 HG2 MET 129 4.162 17.181 1.934 969 HG3 MET 129 HG3 MET 129 2.682 16.821 2.823 970 HE1 MET 129 HE1 MET 129 6.114 15.199 4.114 971 HE2 MET 129 HE2 MET 129 6.507 16.502 2.994 972 HE3 MET 129 HE3 MET 129 6.880 16.673 4.710 973 H LYS 130 H LYS 130 3.891 12.598 0.693 974 HA LYS 130 HA LYS 130 4.416 13.599 -1.869 975 HB2 LYS 130 HB2 LYS 130 5.203 11.405 -0.473 976 HB3 LYS 130 HB3 LYS 130 4.109 10.672 -1.639 977 HG2 LYS 130 HG2 LYS 130 6.368 12.500 -2.411 978 HG3 LYS 130 HG3 LYS 130 6.515 10.744 -2.321 979 HD2 LYS 130 HD2 LYS 130 5.653 10.552 -4.360 980 HD3 LYS 130 HD3 LYS 130 4.186 11.383 -3.833 981 HE2 LYS 130 HE2 LYS 130 6.707 12.786 -4.706 982 HE3 LYS 130 HE3 LYS 130 5.348 12.446 -5.775 983 HZ1 LYS 130 HZ1 LYS 130 5.020 14.622 -5.030 984 HZ2 LYS 130 HZ2 LYS 130 5.425 14.247 -3.431 985 HZ3 LYS 130 HZ3 LYS 130 3.963 13.698 -4.084 986 H ALA 131 H ALA 131 1.718 11.713 -0.618 987 HA ALA 131 HA ALA 131 0.520 11.248 -3.172 988 HB1 ALA 131 HB1 ALA 131 -0.424 10.932 -0.341 989 HB2 ALA 131 HB2 ALA 131 -1.508 10.680 -1.710 990 HB3 ALA 131 HB3 ALA 131 -0.061 9.686 -1.536 991 H LYS 132 H LYS 132 0.228 13.710 -0.688 992 HA LYS 132 HA LYS 132 -2.137 14.941 -1.408 993 HB2 LYS 132 HB2 LYS 132 0.328 15.749 -0.022 994 HB3 LYS 132 HB3 LYS 132 -0.560 17.080 -0.752 995 HG2 LYS 132 HG2 LYS 132 -2.610 16.157 0.437 996 HG3 LYS 132 HG3 LYS 132 -1.483 15.159 1.358 997 HD2 LYS 132 HD2 LYS 132 -0.336 17.142 2.156 998 HD3 LYS 132 HD3 LYS 132 -1.380 18.169 1.170 999 HE2 LYS 132 HE2 LYS 132 -3.322 17.435 2.452 1000 HE3 LYS 132 HE3 LYS 132 -2.296 16.377 3.419 1001 HZ1 LYS 132 HZ1 LYS 132 -1.091 18.789 3.659 1002 HZ2 LYS 132 HZ2 LYS 132 -2.148 18.110 4.791 1003 HZ3 LYS 132 HZ3 LYS 132 -2.730 19.208 3.643 1004 H SER 133 H SER 133 1.073 15.302 -2.835 1005 HA SER 133 HA SER 133 0.564 17.457 -4.526 1006 HB2 SER 133 HB2 SER 133 2.437 15.104 -4.811 1007 HB3 SER 133 3HB SER 133 2.410 16.447 -5.954 1008 HG SER 133 HG SER 133 3.883 17.082 -4.509 1009 H ALA 134 H ALA 134 -0.240 14.070 -4.843 1010 HA ALA 134 HA ALA 134 -0.785 13.874 -7.549 1011 HB1 ALA 134 HB1 ALA 134 -2.604 12.571 -5.568 1012 HB2 ALA 134 HB2 ALA 134 -1.934 11.931 -7.069 1013 HB3 ALA 134 HB3 ALA 134 -0.905 12.103 -5.647 1014 H LEU 135 H LEU 135 -2.846 15.113 -4.950 1015 HA LEU 135 HA LEU 135 -5.083 15.592 -6.676 1016 HB2 LEU 135 HB2 LEU 135 -4.710 16.965 -4.051 1017 HB3 LEU 135 3HB LEU 135 -6.192 16.386 -4.807 1018 HG LEU 135 HG LEU 135 -4.080 14.727 -3.436 1019 HD11 LEU 135 HD11 LEU 135 -5.799 16.067 -2.098 1020 HD12 LEU 135 HD12 LEU 135 -5.658 14.343 -1.759 1021 HD13 LEU 135 HD13 LEU 135 -6.991 14.941 -2.748 1022 HD21 LEU 135 HD21 LEU 135 -6.594 13.822 -4.835 1023 HD22 LEU 135 HD22 LEU 135 -5.477 12.801 -3.928 1024 HD23 LEU 135 HD23 LEU 135 -4.949 13.577 -5.422 1025 H GLY 136 H GLY 136 -2.966 17.828 -4.861 1026 HA2 GLY 136 HA1 GLY 136 -1.973 19.527 -6.571 1027 HA3 GLY 136 HA2 GLY 136 -3.669 19.937 -6.777 1028 H ILE 137 H ILE 137 -2.029 19.066 -3.771 1029 HA ILE 137 HA ILE 137 -3.143 21.299 -2.399 1030 HB ILE 137 HB ILE 137 -0.865 19.574 -1.436 1031 HG12 ILE 137 HG12 ILE 137 -2.665 18.108 -2.167 1032 HG13 ILE 137 HG13 ILE 137 -2.608 18.142 -0.408 1033 HG21 ILE 137 HG21 ILE 137 -2.377 20.124 0.726 1034 HG22 ILE 137 HG22 ILE 137 -1.011 21.110 0.206 1035 HG23 ILE 137 HG23 ILE 137 -2.655 21.579 -0.230 1036 HD11 ILE 137 HD11 ILE 137 -4.383 20.176 -1.300 1037 HD12 ILE 137 HD12 ILE 137 -4.799 18.658 -2.096 1038 HD13 ILE 137 HD13 ILE 137 -4.729 18.740 -0.337 1039 H ARG 138 H ARG 138 -2.047 23.064 -1.444 1040 HA ARG 138 HA ARG 138 -0.207 24.370 -3.108 1041 HB2 ARG 138 HB2 ARG 138 -0.172 26.103 -1.490 1042 HB3 ARG 138 HB3 ARG 138 -1.793 25.424 -1.437 1043 HG2 ARG 138 HG2 ARG 138 -0.780 23.952 0.480 1044 HG3 ARG 138 HG3 ARG 138 0.399 25.262 0.567 1045 HD2 ARG 138 HD2 ARG 138 -1.059 26.364 1.836 1046 HD3 ARG 138 HD3 ARG 138 -2.064 26.541 0.398 1047 HE ARG 138 HE ARG 138 -3.543 25.095 1.345 1048 HH11 ARG 138 HH11 ARG 138 -0.416 24.561 2.779 1049 HH12 ARG 138 HH12 ARG 138 -0.992 23.384 3.913 1050 HH21 ARG 138 HH21 ARG 138 -4.314 23.548 2.833 1051 HH22 ARG 138 HH22 ARG 138 -3.209 22.809 3.942 1052 H ASP 139 H ASP 139 1.762 25.456 -1.586 1053 HA ASP 139 HA ASP 139 3.269 23.717 -0.003 1054 HB2 ASP 139 HB2 ASP 139 3.285 22.871 -2.646 1055 HB3 ASP 139 3HB ASP 139 4.792 23.770 -2.489 1056 H LEU 140 H LEU 140 5.845 24.373 -0.572 1057 HA LEU 140 HA LEU 140 7.399 26.017 -0.345 1058 HB2 LEU 140 HB2 LEU 140 6.023 26.714 -2.521 1059 HB3 LEU 140 3HB LEU 140 5.621 28.091 -1.497 1060 HG LEU 140 HG LEU 140 8.467 27.269 -2.001 1061 HD11 LEU 140 HD11 LEU 140 6.990 29.358 -3.575 1062 HD12 LEU 140 HD12 LEU 140 7.185 27.700 -4.142 1063 HD13 LEU 140 HD13 LEU 140 8.604 28.708 -3.860 1064 HD21 LEU 140 HD21 LEU 140 7.934 28.795 -0.115 1065 HD22 LEU 140 HD22 LEU 140 7.243 29.928 -1.276 1066 HD23 LEU 140 HD23 LEU 140 8.959 29.527 -1.349 1067 H GLU 141 H GLU 141 7.607 26.428 1.775 1068 HA GLU 141 HA GLU 141 6.484 28.804 2.863 1069 HB2 GLU 141 HB2 GLU 141 5.144 27.873 4.632 1070 HB3 GLU 141 HB3 GLU 141 4.553 27.251 3.098 1071 HG2 GLU 141 HG2 GLU 141 5.778 25.162 3.489 1072 HG3 GLU 141 HG3 GLU 141 6.321 25.787 5.045 1073 H HIS 142 H HIS 142 6.807 28.438 5.531 1074 HA HIS 142 HA HIS 142 9.644 28.375 5.787 1075 HB2 HIS 142 HB2 HIS 142 7.337 28.890 7.585 1076 HB3 HIS 142 3HB HIS 142 8.845 28.397 8.350 1077 HD1 HIS 142 HD1 HIS 142 9.009 30.501 5.283 1078 HD2 HIS 142 HD2 HIS 142 9.178 30.989 9.405 1079 HE1 HIS 142 HE1 HIS 142 9.851 32.842 5.649 1080 H HIS 143 H HIS 143 10.736 27.066 7.518 1081 HA HIS 143 HA HIS 143 9.596 24.529 8.217 1082 HB2 HIS 143 HB2 HIS 143 11.431 24.775 5.896 1083 HB3 HIS 143 3HB HIS 143 11.732 23.439 7.003 1084 HD1 HIS 143 HD1 HIS 143 9.256 22.125 7.568 1085 HD2 HIS 143 HD2 HIS 143 9.804 23.996 3.900 1086 HE1 HIS 143 HE1 HIS 143 7.576 21.074 6.020 1087 H HIS 144 H HIS 144 11.545 23.063 9.072 1088 HA HIS 144 HA HIS 144 13.376 24.811 10.576 1089 HB2 HIS 144 HB2 HIS 144 11.291 23.123 11.604 1090 HB3 HIS 144 3HB HIS 144 12.852 22.524 12.154 1091 HD1 HIS 144 HD1 HIS 144 10.307 24.906 13.002 1092 HD2 HIS 144 HD2 HIS 144 14.437 24.725 13.409 1093 HE1 HIS 144 HE1 HIS 144 10.882 26.599 14.770 1094 H HIS 145 H HIS 145 14.938 23.096 11.855 1095 HA HIS 145 HA HIS 145 15.943 21.227 9.814 1096 HB2 HIS 145 HB2 HIS 145 17.317 23.474 11.146 1097 HB3 HIS 145 3HB HIS 145 18.229 21.969 11.085 1098 HD1 HIS 145 HD1 HIS 145 16.152 23.931 8.556 1099 HD2 HIS 145 HD2 HIS 145 19.780 21.933 8.886 1100 HE1 HIS 145 HE1 HIS 145 17.253 24.160 6.307 1101 H HIS 146 H HIS 146 16.991 22.085 13.102 1102 HA HIS 146 HA HIS 146 15.972 19.721 14.303 1103 HB2 HIS 146 HB2 HIS 146 18.592 19.574 13.040 1104 HB3 HIS 146 3HB HIS 146 18.666 19.200 14.760 1105 HD1 HIS 146 HD1 HIS 146 16.518 17.427 15.416 1106 HD2 HIS 146 HD2 HIS 146 18.186 17.330 11.612 1107 HE1 HIS 146 HE1 HIS 146 15.926 15.168 14.479 1108 H HIS 147 H HIS 147 17.342 19.363 16.492 1109 HA HIS 147 HA HIS 147 17.709 22.048 17.652 1110 HB2 HIS 147 HB2 HIS 147 16.101 19.749 18.524 1111 HB3 HIS 147 3HB HIS 147 17.096 20.452 19.796 1112 HD1 HIS 147 HD1 HIS 147 13.820 20.650 18.761 1113 HD2 HIS 147 HD2 HIS 147 16.702 23.564 19.439 1114 HE1 HIS 147 HE1 HIS 147 12.543 22.779 19.158 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -8.148 5.854 -19.828 2 HA MET 1 HA MET 1 -7.873 3.354 -19.099 3 HB2 MET 1 HB2 MET 1 -6.146 3.515 -21.570 4 HB3 MET 1 HB3 MET 1 -6.404 2.115 -20.538 5 HG2 MET 1 HG2 MET 1 -8.052 1.478 -21.857 6 HG3 MET 1 HG3 MET 1 -8.942 2.934 -21.416 7 HE1 MET 1 HE1 MET 1 -6.923 0.997 -23.822 8 HE2 MET 1 HE2 MET 1 -8.510 1.123 -24.579 9 HE3 MET 1 HE3 MET 1 -7.101 1.845 -25.358 10 H ASP 2 H ASP 2 -5.633 2.662 -18.363 11 HA ASP 2 HA ASP 2 -3.737 3.119 -17.191 12 HB2 ASP 2 HB2 ASP 2 -3.472 4.463 -19.656 13 HB3 ASP 2 3HB ASP 2 -2.921 5.592 -18.420 14 H ASP 3 H ASP 3 -2.524 5.270 -16.200 15 HA ASP 3 HA ASP 3 -4.605 6.969 -15.016 16 HB2 ASP 3 HB2 ASP 3 -3.978 6.534 -12.819 17 HB3 ASP 3 3HB ASP 3 -3.854 4.941 -13.561 18 H ARG 4 H ARG 4 -3.082 8.441 -13.301 19 HA ARG 4 HA ARG 4 -0.679 9.372 -14.579 20 HB2 ARG 4 HB2 ARG 4 -1.405 11.533 -15.229 21 HB3 ARG 4 HB3 ARG 4 -2.577 10.407 -15.904 22 HG2 ARG 4 HG2 ARG 4 -3.942 10.892 -13.775 23 HG3 ARG 4 HG3 ARG 4 -2.887 12.296 -13.607 24 HD2 ARG 4 HD2 ARG 4 -4.415 11.685 -16.126 25 HD3 ARG 4 HD3 ARG 4 -5.073 12.674 -14.823 26 HE ARG 4 HE ARG 4 -2.496 13.536 -15.779 27 HH11 ARG 4 HH11 ARG 4 -5.945 13.774 -16.179 28 HH12 ARG 4 HH12 ARG 4 -5.880 15.321 -16.958 29 HH21 ARG 4 HH21 ARG 4 -2.395 15.572 -16.805 30 HH22 ARG 4 HH22 ARG 4 -3.860 16.341 -17.315 31 H THR 5 H THR 5 -1.595 8.395 -11.968 32 HA THR 5 HA THR 5 -1.900 10.361 -10.043 33 HB THR 5 HB THR 5 -0.689 8.714 -8.497 34 HG1 THR 5 HG1 THR 5 0.544 7.575 -9.971 35 HG21 THR 5 HG21 THR 5 -2.562 7.127 -8.544 36 HG22 THR 5 HG22 THR 5 -3.041 7.743 -10.125 37 HG23 THR 5 HG23 THR 5 -3.122 8.791 -8.710 38 H GLU 6 H GLU 6 -0.385 11.283 -8.534 39 HA GLU 6 HA GLU 6 1.730 12.634 -9.695 40 HB2 GLU 6 HB2 GLU 6 0.802 13.448 -7.652 41 HB3 GLU 6 HB3 GLU 6 1.188 11.956 -6.807 42 HG2 GLU 6 HG2 GLU 6 2.716 13.687 -6.142 43 HG3 GLU 6 HG3 GLU 6 3.580 12.454 -7.059 44 H TYR 7 H TYR 7 2.294 10.278 -7.096 45 HA TYR 7 HA TYR 7 4.240 8.840 -8.676 46 HB2 TYR 7 HB2 TYR 7 5.031 10.702 -6.461 47 HB3 TYR 7 3HB TYR 7 5.978 9.252 -6.772 48 HD1 TYR 7 HD1 TYR 7 6.121 9.017 -9.616 49 HD2 TYR 7 HD2 TYR 7 6.159 12.552 -7.248 50 HE1 TYR 7 HE1 TYR 7 7.339 10.191 -11.401 51 HE2 TYR 7 HE2 TYR 7 7.377 13.737 -9.027 52 HH TYR 7 HH TYR 7 7.503 12.921 -12.026 53 H ASP 8 H ASP 8 3.972 9.329 -5.170 54 HA ASP 8 HA ASP 8 3.724 6.466 -4.789 55 HB2 ASP 8 HB2 ASP 8 5.205 7.695 -3.303 56 HB3 ASP 8 3HB ASP 8 3.880 8.745 -2.806 57 H VAL 9 H VAL 9 2.042 5.501 -3.507 58 HA VAL 9 HA VAL 9 -0.550 6.753 -4.018 59 HB VAL 9 HB VAL 9 0.198 3.939 -3.226 60 HG11 VAL 9 HG11 VAL 9 -2.256 3.476 -3.619 61 HG12 VAL 9 HG12 VAL 9 -1.862 4.343 -2.135 62 HG13 VAL 9 HG13 VAL 9 -2.508 5.218 -3.524 63 HG21 VAL 9 HG21 VAL 9 -0.961 3.503 -5.471 64 HG22 VAL 9 HG22 VAL 9 -0.769 5.233 -5.756 65 HG23 VAL 9 HG23 VAL 9 0.651 4.218 -5.504 66 H TYR 10 H TYR 10 -2.049 7.191 -2.437 67 HA TYR 10 HA TYR 10 -1.047 7.823 0.145 68 HB2 TYR 10 HB2 TYR 10 -2.792 9.185 -0.806 69 HB3 TYR 10 3HB TYR 10 -3.858 7.794 -0.965 70 HD1 TYR 10 HD1 TYR 10 -1.883 9.447 1.754 71 HD2 TYR 10 HD2 TYR 10 -5.569 7.684 0.567 72 HE1 TYR 10 HE1 TYR 10 -2.819 9.919 3.980 73 HE2 TYR 10 HE2 TYR 10 -6.515 8.153 2.788 74 HH TYR 10 HH TYR 10 -5.029 10.224 5.020 75 H THR 11 H THR 11 -0.260 5.734 0.821 76 HA THR 11 HA THR 11 -2.393 3.921 1.742 77 HB THR 11 HB THR 11 -0.497 2.217 1.911 78 HG1 THR 11 HG1 THR 11 1.065 4.107 1.490 79 HG21 THR 11 HG21 THR 11 -0.575 2.641 -0.932 80 HG22 THR 11 HG22 THR 11 -2.157 2.972 -0.226 81 HG23 THR 11 HG23 THR 11 -1.384 1.408 0.033 82 H ASP 12 H ASP 12 -1.420 2.516 3.671 83 HA ASP 12 HA ASP 12 -0.969 2.498 5.902 84 HB2 ASP 12 HB2 ASP 12 1.055 4.672 5.499 85 HB3 ASP 12 3HB ASP 12 1.135 3.257 6.544 86 H GLY 13 H GLY 13 -0.267 4.372 7.752 87 HA2 GLY 13 HA1 GLY 13 -1.240 5.947 9.113 88 HA3 GLY 13 HA2 GLY 13 -1.411 6.886 7.637 89 H SER 14 H SER 14 -2.960 4.177 9.355 90 HA SER 14 HA SER 14 -5.525 5.458 9.196 91 HB2 SER 14 HB2 SER 14 -5.306 2.802 7.786 92 HB3 SER 14 3HB SER 14 -6.654 3.937 7.776 93 HG SER 14 HG SER 14 -4.434 3.861 6.199 94 H TYR 15 H TYR 15 -6.880 4.741 10.763 95 HA TYR 15 HA TYR 15 -6.927 2.186 11.891 96 HB2 TYR 15 HB2 TYR 15 -5.908 2.817 14.149 97 HB3 TYR 15 3HB TYR 15 -4.783 2.507 12.830 98 HD1 TYR 15 HD1 TYR 15 -6.570 5.315 14.521 99 HD2 TYR 15 HD2 TYR 15 -3.120 4.059 12.370 100 HE1 TYR 15 HE1 TYR 15 -5.545 7.520 14.888 101 HE2 TYR 15 HE2 TYR 15 -2.086 6.261 12.731 102 HH TYR 15 HH TYR 15 -2.245 8.146 14.234 103 H VAL 16 H VAL 16 -8.184 2.132 13.963 104 HA VAL 16 HA VAL 16 -9.826 4.533 14.359 105 HB VAL 16 HB VAL 16 -11.143 3.170 12.877 106 HG11 VAL 16 HG11 VAL 16 -10.991 0.907 14.852 107 HG12 VAL 16 HG12 VAL 16 -11.646 0.887 13.214 108 HG13 VAL 16 HG13 VAL 16 -9.907 1.040 13.469 109 HG21 VAL 16 HG21 VAL 16 -13.136 2.988 14.138 110 HG22 VAL 16 HG22 VAL 16 -12.251 2.701 15.635 111 HG23 VAL 16 HG23 VAL 16 -12.211 4.293 14.879 112 H ASN 17 H ASN 17 -9.652 5.076 16.424 113 HA ASN 17 HA ASN 17 -9.692 4.951 18.699 114 HB2 ASN 17 HB2 ASN 17 -11.546 3.234 18.177 115 HB3 ASN 17 3HB ASN 17 -10.322 2.012 18.515 116 HD21 ASN 17 HD21 ASN 17 -12.835 3.495 19.834 117 HD22 ASN 17 HD22 ASN 17 -12.373 3.504 21.499 118 H GLY 18 H GLY 18 -8.583 1.674 17.831 119 HA2 GLY 18 HA1 GLY 18 -5.843 2.312 18.463 120 HA3 GLY 18 HA2 GLY 18 -6.631 1.332 19.691 121 H GLN 19 H GLN 19 -7.597 0.954 16.394 122 HA GLN 19 HA GLN 19 -6.284 -1.676 16.362 123 HB2 GLN 19 HB2 GLN 19 -8.940 -0.891 15.825 124 HB3 GLN 19 HB3 GLN 19 -8.241 -1.355 14.279 125 HG2 GLN 19 HG2 GLN 19 -7.400 -3.387 15.862 126 HG3 GLN 19 HG3 GLN 19 -8.952 -2.994 16.599 127 HE21 GLN 19 HE21 GLN 19 -10.409 -2.228 14.410 128 HE22 GLN 19 HE22 GLN 19 -10.626 -3.578 13.355 129 H TYR 20 H TYR 20 -6.218 -2.377 13.814 130 HA TYR 20 HA TYR 20 -4.516 -0.328 12.559 131 HB2 TYR 20 HB2 TYR 20 -3.291 -2.111 11.500 132 HB3 TYR 20 3HB TYR 20 -3.404 -2.467 13.221 133 HD1 TYR 20 HD1 TYR 20 -4.957 -4.234 14.017 134 HD2 TYR 20 HD2 TYR 20 -4.273 -3.552 9.873 135 HE1 TYR 20 HE1 TYR 20 -5.909 -6.442 13.502 136 HE2 TYR 20 HE2 TYR 20 -5.224 -5.758 9.348 137 HH TYR 20 HH TYR 20 -5.734 -7.820 10.314 138 H ALA 21 H ALA 21 -4.960 0.382 10.552 139 HA ALA 21 HA ALA 21 -7.074 -0.990 9.031 140 HB1 ALA 21 HB1 ALA 21 -7.854 1.100 10.237 141 HB2 ALA 21 HB2 ALA 21 -6.823 2.004 9.127 142 HB3 ALA 21 HB3 ALA 21 -8.156 1.034 8.500 143 H TRP 22 H TRP 22 -7.144 -0.050 6.707 144 HA TRP 22 HA TRP 22 -4.533 0.749 5.707 145 HB2 TRP 22 HB2 TRP 22 -4.666 -1.130 3.967 146 HB3 TRP 22 3HB TRP 22 -4.179 -1.579 5.600 147 HD1 TRP 22 HD1 TRP 22 -5.937 -3.003 7.057 148 HE1 TRP 22 HE1 TRP 22 -7.927 -4.478 6.358 149 HE3 TRP 22 HE3 TRP 22 -6.525 -1.351 2.255 150 HZ2 TRP 22 HZ2 TRP 22 -9.534 -4.889 4.073 151 HZ3 TRP 22 HZ3 TRP 22 -8.311 -2.337 0.880 152 HH2 TRP 22 HH2 TRP 22 -9.783 -4.069 1.771 153 H ALA 23 H ALA 23 -4.723 2.115 4.042 154 HA ALA 23 HA ALA 23 -7.206 2.096 2.470 155 HB1 ALA 23 HB1 ALA 23 -7.846 4.077 3.230 156 HB2 ALA 23 HB2 ALA 23 -6.478 4.082 4.344 157 HB3 ALA 23 HB3 ALA 23 -6.307 4.785 2.736 158 H TYR 24 H TYR 24 -6.968 3.538 0.484 159 HA TYR 24 HA TYR 24 -4.303 3.958 -0.509 160 HB2 TYR 24 HB2 TYR 24 -4.859 2.432 -2.556 161 HB3 TYR 24 3HB TYR 24 -4.207 1.713 -1.088 162 HD1 TYR 24 HD1 TYR 24 -7.644 2.747 -2.145 163 HD2 TYR 24 HD2 TYR 24 -5.121 -0.369 -0.724 164 HE1 TYR 24 HE1 TYR 24 -9.583 1.238 -2.030 165 HE2 TYR 24 HE2 TYR 24 -7.052 -1.888 -0.606 166 HH TYR 24 HH TYR 24 -10.304 -0.760 -1.025 167 H ALA 25 H ALA 25 -4.376 4.706 -2.841 168 HA ALA 25 HA ALA 25 -6.842 6.260 -3.269 169 HB1 ALA 25 HB1 ALA 25 -5.191 7.843 -2.902 170 HB2 ALA 25 HB2 ALA 25 -3.962 6.909 -3.756 171 HB3 ALA 25 HB3 ALA 25 -5.231 7.731 -4.662 172 H PHE 26 H PHE 26 -8.013 5.762 -4.995 173 HA PHE 26 HA PHE 26 -6.737 4.232 -7.162 174 HB2 PHE 26 HB2 PHE 26 -9.485 4.196 -5.981 175 HB3 PHE 26 3HB PHE 26 -9.283 3.754 -7.673 176 HD1 PHE 26 HD1 PHE 26 -7.104 3.078 -4.735 177 HD2 PHE 26 HD2 PHE 26 -9.602 1.469 -7.783 178 HE1 PHE 26 HE1 PHE 26 -6.456 0.802 -4.059 179 HE2 PHE 26 HE2 PHE 26 -8.960 -0.808 -7.111 180 HZ PHE 26 HZ PHE 26 -7.386 -1.145 -5.247 181 H VAL 27 H VAL 27 -6.818 4.947 -9.227 182 HA VAL 27 HA VAL 27 -8.527 7.221 -9.898 183 HB VAL 27 HB VAL 27 -5.530 7.243 -9.985 184 HG11 VAL 27 HG11 VAL 27 -6.040 9.425 -11.411 185 HG12 VAL 27 HG12 VAL 27 -5.756 7.856 -12.166 186 HG13 VAL 27 HG13 VAL 27 -7.404 8.445 -11.946 187 HG21 VAL 27 HG21 VAL 27 -5.719 9.300 -8.882 188 HG22 VAL 27 HG22 VAL 27 -7.408 9.499 -9.350 189 HG23 VAL 27 HG23 VAL 27 -6.964 8.292 -8.142 190 H LYS 28 H LYS 28 -9.407 7.001 -11.853 191 HA LYS 28 HA LYS 28 -8.117 5.175 -13.771 192 HB2 LYS 28 HB2 LYS 28 -10.994 5.372 -12.937 193 HB3 LYS 28 HB3 LYS 28 -10.571 4.766 -14.532 194 HG2 LYS 28 HG2 LYS 28 -8.982 3.472 -12.519 195 HG3 LYS 28 HG3 LYS 28 -10.701 3.330 -12.143 196 HD2 LYS 28 HD2 LYS 28 -9.640 2.749 -14.891 197 HD3 LYS 28 HD3 LYS 28 -9.639 1.521 -13.622 198 HE2 LYS 28 HE2 LYS 28 -11.866 1.227 -13.738 199 HE3 LYS 28 HE3 LYS 28 -12.182 2.950 -13.945 200 HZ1 LYS 28 HZ1 LYS 28 -12.770 2.224 -15.992 201 HZ2 LYS 28 HZ2 LYS 28 -11.735 0.887 -15.960 202 HZ3 LYS 28 HZ3 LYS 28 -11.116 2.427 -16.291 203 H ASP 29 H ASP 29 -7.936 5.871 -15.833 204 HA ASP 29 HA ASP 29 -8.019 7.233 -17.655 205 HB2 ASP 29 HB2 ASP 29 -10.413 8.648 -16.520 206 HB3 ASP 29 3HB ASP 29 -10.024 8.305 -18.204 207 H GLY 30 H GLY 30 -7.036 8.084 -14.809 208 HA2 GLY 30 HA1 GLY 30 -5.529 9.811 -14.319 209 HA3 GLY 30 HA2 GLY 30 -6.149 10.712 -15.695 210 H LYS 31 H LYS 31 -8.378 9.351 -13.422 211 HA LYS 31 HA LYS 31 -8.592 11.817 -11.900 212 HB2 LYS 31 HB2 LYS 31 -11.083 11.908 -12.380 213 HB3 LYS 31 HB3 LYS 31 -10.023 12.422 -13.686 214 HG2 LYS 31 HG2 LYS 31 -10.252 10.078 -14.613 215 HG3 LYS 31 HG3 LYS 31 -11.551 9.849 -13.440 216 HD2 LYS 31 HD2 LYS 31 -12.766 10.562 -15.244 217 HD3 LYS 31 HD3 LYS 31 -12.418 12.115 -14.481 218 HE2 LYS 31 HE2 LYS 31 -11.251 12.802 -16.249 219 HE3 LYS 31 HE3 LYS 31 -10.287 11.327 -16.262 220 HZ1 LYS 31 HZ1 LYS 31 -12.415 12.082 -17.974 221 HZ2 LYS 31 HZ2 LYS 31 -12.775 10.615 -17.214 222 HZ3 LYS 31 HZ3 LYS 31 -11.349 10.775 -18.110 223 H VAL 32 H VAL 32 -10.075 11.623 -10.073 224 HA VAL 32 HA VAL 32 -9.726 9.286 -8.616 225 HB VAL 32 HB VAL 32 -11.936 11.314 -8.251 226 HG11 VAL 32 HG11 VAL 32 -11.399 10.500 -5.778 227 HG12 VAL 32 HG12 VAL 32 -12.580 9.682 -6.802 228 HG13 VAL 32 HG13 VAL 32 -10.950 9.028 -6.640 229 HG21 VAL 32 HG21 VAL 32 -10.004 12.593 -8.160 230 HG22 VAL 32 HG22 VAL 32 -10.246 12.148 -6.471 231 HG23 VAL 32 HG23 VAL 32 -9.053 11.290 -7.445 232 H HIS 33 H HIS 33 -10.611 7.342 -8.767 233 HA HIS 33 HA HIS 33 -13.172 7.064 -10.187 234 HB2 HIS 33 HB2 HIS 33 -11.031 5.887 -11.014 235 HB3 HIS 33 3HB HIS 33 -11.257 4.809 -9.640 236 HD1 HIS 33 HD1 HIS 33 -12.424 2.740 -10.281 237 HD2 HIS 33 HD2 HIS 33 -13.680 5.977 -12.563 238 HE1 HIS 33 HE1 HIS 33 -14.136 1.815 -11.874 239 H TYR 34 H TYR 34 -11.354 5.816 -7.402 240 HA TYR 34 HA TYR 34 -13.927 5.281 -6.079 241 HB2 TYR 34 HB2 TYR 34 -11.478 3.512 -6.106 242 HB3 TYR 34 3HB TYR 34 -12.819 3.301 -4.986 243 HD1 TYR 34 HD1 TYR 34 -15.120 3.841 -6.781 244 HD2 TYR 34 HD2 TYR 34 -11.566 1.596 -7.441 245 HE1 TYR 34 HE1 TYR 34 -16.301 2.473 -8.449 246 HE2 TYR 34 HE2 TYR 34 -12.738 0.223 -9.112 247 HH TYR 34 HH TYR 34 -15.796 -0.151 -9.369 248 H GLU 35 H GLU 35 -13.465 4.841 -3.628 249 HA GLU 35 HA GLU 35 -11.246 6.025 -2.378 250 HB2 GLU 35 HB2 GLU 35 -13.258 7.876 -3.302 251 HB3 GLU 35 HB3 GLU 35 -13.152 7.915 -1.548 252 HG2 GLU 35 HG2 GLU 35 -10.582 8.061 -2.007 253 HG3 GLU 35 HG3 GLU 35 -11.109 8.635 -3.589 254 H ASP 36 H ASP 36 -11.266 4.549 -0.795 255 HA ASP 36 HA ASP 36 -13.057 4.756 1.360 256 HB2 ASP 36 HB2 ASP 36 -13.934 3.033 -0.776 257 HB3 ASP 36 3HB ASP 36 -13.634 2.084 0.678 258 H ALA 37 H ALA 37 -12.649 3.100 3.036 259 HA ALA 37 HA ALA 37 -10.149 1.616 2.670 260 HB1 ALA 37 HB1 ALA 37 -10.044 4.027 3.853 261 HB2 ALA 37 HB2 ALA 37 -10.395 3.015 5.255 262 HB3 ALA 37 HB3 ALA 37 -8.970 2.690 4.266 263 H ASP 38 H ASP 38 -9.716 0.213 4.662 264 HA ASP 38 HA ASP 38 -12.109 -0.589 6.103 265 HB2 ASP 38 HB2 ASP 38 -10.715 -2.334 4.084 266 HB3 ASP 38 3HB ASP 38 -11.619 -3.029 5.427 267 H VAL 39 H VAL 39 -11.654 -2.132 7.825 268 HA VAL 39 HA VAL 39 -8.839 -2.006 8.693 269 HB VAL 39 HB VAL 39 -9.668 -2.073 11.016 270 HG11 VAL 39 HG11 VAL 39 -9.494 0.137 10.933 271 HG12 VAL 39 HG12 VAL 39 -9.795 0.094 9.195 272 HG13 VAL 39 HG13 VAL 39 -11.144 0.256 10.321 273 HG21 VAL 39 HG21 VAL 39 -12.404 -1.300 10.304 274 HG22 VAL 39 HG22 VAL 39 -12.005 -2.981 9.946 275 HG23 VAL 39 HG23 VAL 39 -11.821 -2.361 11.587 276 H GLY 40 H GLY 40 -8.295 -3.753 10.333 277 HA2 GLY 40 HA1 GLY 40 -9.427 -6.302 9.367 278 HA3 GLY 40 HA2 GLY 40 -7.784 -6.095 9.956 279 H LYS 41 H LYS 41 -8.152 -7.861 11.394 280 HA LYS 41 HA LYS 41 -8.814 -7.102 14.002 281 HB2 LYS 41 HB2 LYS 41 -10.838 -8.718 14.200 282 HB3 LYS 41 HB3 LYS 41 -11.099 -7.091 13.588 283 HG2 LYS 41 HG2 LYS 41 -12.332 -8.633 12.238 284 HG3 LYS 41 HG3 LYS 41 -10.994 -7.990 11.282 285 HD2 LYS 41 HD2 LYS 41 -9.723 -10.000 11.598 286 HD3 LYS 41 HD3 LYS 41 -10.911 -10.626 12.744 287 HE2 LYS 41 HE2 LYS 41 -12.271 -11.351 11.113 288 HE3 LYS 41 HE3 LYS 41 -12.033 -9.898 10.142 289 HZ1 LYS 41 HZ1 LYS 41 -10.741 -11.086 8.818 290 HZ2 LYS 41 HZ2 LYS 41 -10.868 -12.444 9.818 291 HZ3 LYS 41 HZ3 LYS 41 -9.643 -11.308 10.086 292 H ASN 42 H ASN 42 -6.804 -8.546 12.529 293 HA ASN 42 HA ASN 42 -7.063 -11.297 13.472 294 HB2 ASN 42 HB2 ASN 42 -4.976 -9.948 11.748 295 HB3 ASN 42 3HB ASN 42 -4.916 -11.642 12.227 296 HD21 ASN 42 HD21 ASN 42 -5.116 -10.406 9.577 297 HD22 ASN 42 HD22 ASN 42 -6.535 -11.075 8.854 298 HA PRO 43 HA PRO 43 -4.545 -10.792 17.033 299 HB2 PRO 43 HB2 PRO 43 -3.276 -13.190 17.126 300 HB3 PRO 43 HB3 PRO 43 -4.989 -12.994 17.513 301 HG2 PRO 43 HG2 PRO 43 -3.717 -13.940 14.973 302 HG3 PRO 43 HG3 PRO 43 -5.134 -14.584 15.822 303 HD2 PRO 43 HD2 PRO 43 -5.342 -12.972 13.656 304 HD3 PRO 43 HD3 PRO 43 -6.538 -12.967 14.968 305 H ALA 44 H ALA 44 -2.764 -12.360 14.365 306 HA ALA 44 HA ALA 44 -0.212 -11.494 15.243 307 HB1 ALA 44 HB1 ALA 44 -1.022 -12.325 12.460 308 HB2 ALA 44 HB2 ALA 44 0.609 -12.310 13.132 309 HB3 ALA 44 HB3 ALA 44 -0.592 -13.439 13.758 310 H ALA 45 H ALA 45 -2.753 -9.884 13.662 311 HA ALA 45 HA ALA 45 -0.976 -7.859 12.510 312 HB1 ALA 45 HB1 ALA 45 -2.823 -8.781 11.130 313 HB2 ALA 45 HB2 ALA 45 -3.972 -8.071 12.265 314 HB3 ALA 45 HB3 ALA 45 -2.897 -7.031 11.333 315 H ALA 46 H ALA 46 -3.095 -8.418 15.173 316 HA ALA 46 HA ALA 46 -3.417 -5.608 15.805 317 HB1 ALA 46 HB1 ALA 46 -5.168 -7.383 16.234 318 HB2 ALA 46 HB2 ALA 46 -4.148 -7.935 17.563 319 HB3 ALA 46 HB3 ALA 46 -4.811 -6.300 17.579 320 H THR 47 H THR 47 -1.424 -8.309 16.782 321 HA THR 47 HA THR 47 -0.386 -7.109 19.149 322 HB THR 47 HB THR 47 -0.307 -9.529 18.852 323 HG1 THR 47 HG1 THR 47 1.550 -9.638 19.905 324 HG21 THR 47 HG21 THR 47 0.976 -8.787 16.337 325 HG22 THR 47 HG22 THR 47 0.147 -10.277 16.787 326 HG23 THR 47 HG23 THR 47 1.843 -10.048 17.212 327 H MET 48 H MET 48 0.234 -6.677 15.817 328 HA MET 48 HA MET 48 2.919 -5.638 16.220 329 HB2 MET 48 HB2 MET 48 1.222 -5.758 13.721 330 HB3 MET 48 HB3 MET 48 2.914 -5.285 13.786 331 HG2 MET 48 HG2 MET 48 1.836 -7.991 14.543 332 HG3 MET 48 HG3 MET 48 2.605 -7.586 13.009 333 HE1 MET 48 HE1 MET 48 4.913 -9.908 15.350 334 HE2 MET 48 HE2 MET 48 3.514 -9.415 16.304 335 HE3 MET 48 HE3 MET 48 3.305 -9.917 14.626 336 H ARG 49 H ARG 49 0.114 -4.441 17.049 337 HA ARG 49 HA ARG 49 -0.622 -2.338 17.527 338 HB2 ARG 49 HB2 ARG 49 1.851 -1.226 16.217 339 HB3 ARG 49 HB3 ARG 49 0.873 -0.505 17.489 340 HG2 ARG 49 HG2 ARG 49 1.605 -2.538 18.895 341 HG3 ARG 49 HG3 ARG 49 2.865 -2.726 17.674 342 HD2 ARG 49 HD2 ARG 49 2.440 -0.039 18.880 343 HD3 ARG 49 HD3 ARG 49 3.248 -1.273 19.844 344 HE ARG 49 HE ARG 49 4.322 0.135 17.593 345 HH11 ARG 49 HH11 ARG 49 4.465 -2.825 19.420 346 HH12 ARG 49 HH12 ARG 49 6.094 -3.187 18.954 347 HH21 ARG 49 HH21 ARG 49 6.467 -0.331 16.972 348 HH22 ARG 49 HH22 ARG 49 7.232 -1.766 17.562 349 H ASN 50 H ASN 50 1.218 -1.707 14.545 350 HA ASN 50 HA ASN 50 -1.143 -1.652 12.917 351 HB2 ASN 50 HB2 ASN 50 -0.821 0.780 12.273 352 HB3 ASN 50 3HB ASN 50 -1.506 0.498 13.872 353 HD21 ASN 50 HD21 ASN 50 1.356 1.433 12.105 354 HD22 ASN 50 HD22 ASN 50 2.160 2.199 13.429 355 H VAL 51 H VAL 51 1.687 -2.714 13.116 356 HA VAL 51 HA VAL 51 3.128 -1.571 10.925 357 HB VAL 51 HB VAL 51 3.540 -4.280 12.194 358 HG11 VAL 51 HG11 VAL 51 4.955 -2.716 10.157 359 HG12 VAL 51 HG12 VAL 51 5.984 -3.362 11.437 360 HG13 VAL 51 HG13 VAL 51 4.979 -4.450 10.479 361 HG21 VAL 51 HG21 VAL 51 3.837 -1.691 13.332 362 HG22 VAL 51 HG22 VAL 51 4.236 -3.257 14.038 363 HG23 VAL 51 HG23 VAL 51 5.441 -2.382 13.093 364 H ALA 52 H ALA 52 1.129 -4.462 11.367 365 HA ALA 52 HA ALA 52 1.503 -5.383 8.679 366 HB1 ALA 52 HB1 ALA 52 0.736 -6.621 10.927 367 HB2 ALA 52 HB2 ALA 52 -0.845 -6.316 10.208 368 HB3 ALA 52 HB3 ALA 52 0.368 -7.233 9.315 369 H GLY 53 H GLY 53 -0.714 -3.248 10.294 370 HA2 GLY 53 HA1 GLY 53 -2.793 -3.343 8.346 371 HA3 GLY 53 HA2 GLY 53 -2.569 -2.097 9.564 372 H GLU 54 H GLU 54 -0.220 -0.954 8.961 373 HA GLU 54 HA GLU 54 -0.806 0.806 6.908 374 HB2 GLU 54 HB2 GLU 54 1.643 1.382 6.971 375 HB3 GLU 54 HB3 GLU 54 0.829 1.421 8.530 376 HG2 GLU 54 HG2 GLU 54 1.712 -0.879 8.952 377 HG3 GLU 54 HG3 GLU 54 2.670 -0.711 7.482 378 H ILE 55 H ILE 55 1.318 -2.043 6.815 379 HA ILE 55 HA ILE 55 1.975 -1.756 4.062 380 HB ILE 55 HB ILE 55 2.183 -4.132 5.912 381 HG12 ILE 55 HG12 ILE 55 4.611 -2.874 4.848 382 HG13 ILE 55 HG13 ILE 55 3.644 -1.801 5.854 383 HG21 ILE 55 HG21 ILE 55 2.966 -3.800 3.038 384 HG22 ILE 55 HG22 ILE 55 3.820 -4.924 4.093 385 HG23 ILE 55 HG23 ILE 55 2.092 -5.125 3.806 386 HD11 ILE 55 HD11 ILE 55 3.825 -4.311 7.160 387 HD12 ILE 55 HD12 ILE 55 5.444 -3.823 6.655 388 HD13 ILE 55 HD13 ILE 55 4.474 -2.750 7.664 389 H ALA 56 H ALA 56 -0.586 -3.368 5.809 390 HA ALA 56 HA ALA 56 -1.536 -5.208 4.024 391 HB1 ALA 56 HB1 ALA 56 -3.755 -3.714 5.078 392 HB2 ALA 56 HB2 ALA 56 -3.200 -5.338 5.488 393 HB3 ALA 56 HB3 ALA 56 -2.517 -3.938 6.313 394 H ALA 57 H ALA 57 -2.147 -1.713 3.998 395 HA ALA 57 HA ALA 57 -3.961 -1.580 1.909 396 HB1 ALA 57 HB1 ALA 57 -1.901 0.322 2.948 397 HB2 ALA 57 HB2 ALA 57 -2.834 0.724 1.506 398 HB3 ALA 57 HB3 ALA 57 -3.662 0.418 3.032 399 H ALA 58 H ALA 58 -0.408 -1.369 1.729 400 HA ALA 58 HA ALA 58 -0.122 -1.051 -1.000 401 HB1 ALA 58 HB1 ALA 58 1.961 -2.758 -0.203 402 HB2 ALA 58 HB2 ALA 58 1.991 -0.999 -0.325 403 HB3 ALA 58 HB3 ALA 58 1.562 -1.769 1.202 404 H LEU 59 H LEU 59 -0.955 -3.911 0.809 405 HA LEU 59 HA LEU 59 -0.409 -5.799 -1.246 406 HB2 LEU 59 HB2 LEU 59 -2.457 -6.165 0.915 407 HB3 LEU 59 3HB LEU 59 -1.468 -7.388 0.119 408 HG LEU 59 HG LEU 59 -0.699 -5.462 2.285 409 HD11 LEU 59 HD11 LEU 59 -1.017 -7.301 3.489 410 HD12 LEU 59 HD12 LEU 59 0.399 -7.982 2.691 411 HD13 LEU 59 HD13 LEU 59 -1.212 -8.292 2.044 412 HD21 LEU 59 HD21 LEU 59 0.982 -6.513 0.113 413 HD22 LEU 59 HD22 LEU 59 1.621 -6.742 1.741 414 HD23 LEU 59 HD23 LEU 59 1.224 -5.121 1.168 415 H TYR 60 H TYR 60 -3.581 -4.824 0.061 416 HA TYR 60 HA TYR 60 -5.076 -5.817 -2.082 417 HB2 TYR 60 HB2 TYR 60 -5.875 -3.473 -0.355 418 HB3 TYR 60 3HB TYR 60 -6.935 -4.618 -1.169 419 HD1 TYR 60 HD1 TYR 60 -7.078 -6.965 -0.335 420 HD2 TYR 60 HD2 TYR 60 -4.961 -3.945 1.789 421 HE1 TYR 60 HE1 TYR 60 -7.130 -8.360 1.690 422 HE2 TYR 60 HE2 TYR 60 -5.007 -5.334 3.818 423 HH TYR 60 HH TYR 60 -6.682 -8.459 3.870 424 H ALA 61 H ALA 61 -3.215 -2.941 -1.783 425 HA ALA 61 HA ALA 61 -4.536 -1.344 -3.715 426 HB1 ALA 61 HB1 ALA 61 -1.667 -1.285 -2.784 427 HB2 ALA 61 HB2 ALA 61 -2.454 -0.033 -3.746 428 HB3 ALA 61 HB3 ALA 61 -3.011 -0.365 -2.107 429 H VAL 62 H VAL 62 -1.866 -3.659 -3.910 430 HA VAL 62 HA VAL 62 -1.396 -3.204 -6.701 431 HB VAL 62 HB VAL 62 -0.502 -5.488 -4.936 432 HG11 VAL 62 HG11 VAL 62 1.139 -5.962 -6.660 433 HG12 VAL 62 HG12 VAL 62 -0.492 -6.053 -7.330 434 HG13 VAL 62 HG13 VAL 62 0.515 -4.640 -7.646 435 HG21 VAL 62 HG21 VAL 62 1.194 -3.199 -5.871 436 HG22 VAL 62 HG22 VAL 62 0.228 -3.079 -4.400 437 HG23 VAL 62 HG23 VAL 62 1.476 -4.318 -4.536 438 H LYS 63 H LYS 63 -3.056 -5.690 -4.798 439 HA LYS 63 HA LYS 63 -3.672 -7.507 -6.780 440 HB2 LYS 63 HB2 LYS 63 -5.411 -6.651 -4.458 441 HB3 LYS 63 HB3 LYS 63 -5.630 -8.120 -5.400 442 HG2 LYS 63 HG2 LYS 63 -3.436 -8.915 -4.664 443 HG3 LYS 63 HG3 LYS 63 -3.233 -7.447 -3.706 444 HD2 LYS 63 HD2 LYS 63 -4.282 -8.439 -2.017 445 HD3 LYS 63 HD3 LYS 63 -5.739 -8.540 -3.009 446 HE2 LYS 63 HE2 LYS 63 -4.514 -10.637 -4.014 447 HE3 LYS 63 HE3 LYS 63 -3.645 -10.596 -2.481 448 HZ1 LYS 63 HZ1 LYS 63 -6.336 -11.412 -3.027 449 HZ2 LYS 63 HZ2 LYS 63 -6.247 -10.303 -1.754 450 HZ3 LYS 63 HZ3 LYS 63 -5.361 -11.743 -1.686 451 H LYS 64 H LYS 64 -5.558 -4.653 -5.801 452 HA LYS 64 HA LYS 64 -7.486 -5.014 -7.895 453 HB2 LYS 64 HB2 LYS 64 -7.204 -3.376 -5.559 454 HB3 LYS 64 HB3 LYS 64 -7.575 -2.349 -6.939 455 HG2 LYS 64 HG2 LYS 64 -9.650 -3.252 -7.233 456 HG3 LYS 64 HG3 LYS 64 -9.191 -4.811 -6.545 457 HD2 LYS 64 HD2 LYS 64 -8.912 -3.342 -4.356 458 HD3 LYS 64 HD3 LYS 64 -10.079 -2.316 -5.192 459 HE2 LYS 64 HE2 LYS 64 -11.308 -4.628 -5.556 460 HE3 LYS 64 HE3 LYS 64 -10.386 -5.077 -4.122 461 HZ1 LYS 64 HZ1 LYS 64 -11.852 -2.548 -4.061 462 HZ2 LYS 64 HZ2 LYS 64 -11.543 -3.646 -2.813 463 HZ3 LYS 64 HZ3 LYS 64 -12.752 -3.976 -3.951 464 H ALA 65 H ALA 65 -4.534 -3.199 -7.467 465 HA ALA 65 HA ALA 65 -4.737 -1.286 -9.448 466 HB1 ALA 65 HB1 ALA 65 -2.357 -2.848 -8.476 467 HB2 ALA 65 HB2 ALA 65 -2.227 -1.521 -9.632 468 HB3 ALA 65 HB3 ALA 65 -2.861 -1.222 -8.013 469 H SER 66 H SER 66 -4.111 -4.723 -9.743 470 HA SER 66 HA SER 66 -3.359 -4.615 -12.505 471 HB2 SER 66 HB2 SER 66 -2.507 -6.473 -11.319 472 HB3 SER 66 3HB SER 66 -4.083 -6.857 -10.625 473 HG SER 66 HG SER 66 -4.241 -8.182 -12.243 474 H GLN 67 H GLN 67 -6.339 -4.916 -10.740 475 HA GLN 67 HA GLN 67 -7.916 -5.927 -12.884 476 HB2 GLN 67 HB2 GLN 67 -8.821 -4.371 -10.456 477 HB3 GLN 67 HB3 GLN 67 -9.831 -5.371 -11.493 478 HG2 GLN 67 HG2 GLN 67 -8.290 -7.297 -10.829 479 HG3 GLN 67 HG3 GLN 67 -7.719 -6.226 -9.549 480 HE21 GLN 67 HE21 GLN 67 -9.851 -5.012 -8.604 481 HE22 GLN 67 HE22 GLN 67 -11.023 -6.132 -8.007 482 H LEU 68 H LEU 68 -7.255 -2.687 -11.629 483 HA LEU 68 HA LEU 68 -9.000 -1.404 -13.520 484 HB2 LEU 68 HB2 LEU 68 -6.842 -0.197 -11.797 485 HB3 LEU 68 3HB LEU 68 -8.136 0.671 -12.620 486 HG LEU 68 HG LEU 68 -9.423 -1.197 -10.983 487 HD11 LEU 68 HD11 LEU 68 -6.922 -1.008 -9.949 488 HD12 LEU 68 HD12 LEU 68 -8.371 -1.363 -9.011 489 HD13 LEU 68 HD13 LEU 68 -7.752 0.286 -9.085 490 HD21 LEU 68 HD21 LEU 68 -10.170 0.802 -9.778 491 HD22 LEU 68 HD22 LEU 68 -10.220 1.036 -11.526 492 HD23 LEU 68 HD23 LEU 68 -8.915 1.749 -10.578 493 H GLY 69 H GLY 69 -6.096 -2.895 -13.878 494 HA2 GLY 69 HA1 GLY 69 -4.584 -2.930 -15.608 495 HA3 GLY 69 HA2 GLY 69 -5.657 -1.838 -16.471 496 H VAL 70 H VAL 70 -4.780 -0.648 -13.433 497 HA VAL 70 HA VAL 70 -2.920 1.234 -14.699 498 HB VAL 70 HB VAL 70 -3.369 2.755 -12.928 499 HG11 VAL 70 HG11 VAL 70 -6.124 1.752 -13.159 500 HG12 VAL 70 HG12 VAL 70 -5.450 3.331 -13.569 501 HG13 VAL 70 HG13 VAL 70 -5.269 1.976 -14.684 502 HG21 VAL 70 HG21 VAL 70 -4.065 0.343 -11.480 503 HG22 VAL 70 HG22 VAL 70 -3.577 1.924 -10.868 504 HG23 VAL 70 HG23 VAL 70 -5.268 1.614 -11.264 505 H LYS 71 H LYS 71 -1.254 2.128 -13.023 506 HA LYS 71 HA LYS 71 -0.130 -0.045 -11.407 507 HB2 LYS 71 HB2 LYS 71 1.269 1.441 -13.623 508 HB3 LYS 71 HB3 LYS 71 2.162 0.661 -12.324 509 HG2 LYS 71 HG2 LYS 71 2.169 -0.935 -13.995 510 HG3 LYS 71 HG3 LYS 71 0.825 -1.446 -12.971 511 HD2 LYS 71 HD2 LYS 71 -0.697 -1.063 -14.579 512 HD3 LYS 71 HD3 LYS 71 0.076 0.441 -15.084 513 HE2 LYS 71 HE2 LYS 71 1.665 -1.904 -15.736 514 HE3 LYS 71 HE3 LYS 71 0.063 -1.952 -16.471 515 HZ1 LYS 71 HZ1 LYS 71 2.308 -0.374 -17.183 516 HZ2 LYS 71 HZ2 LYS 71 0.984 0.621 -16.838 517 HZ3 LYS 71 HZ3 LYS 71 0.850 -0.589 -18.013 518 H ILE 72 H ILE 72 1.205 0.629 -9.699 519 HA ILE 72 HA ILE 72 0.817 3.437 -8.949 520 HB ILE 72 HB ILE 72 1.347 2.754 -6.671 521 HG12 ILE 72 HG12 ILE 72 1.801 0.048 -7.935 522 HG13 ILE 72 HG13 ILE 72 2.955 1.014 -7.021 523 HG21 ILE 72 HG21 ILE 72 -0.663 1.668 -6.201 524 HG22 ILE 72 HG22 ILE 72 -0.969 2.471 -7.740 525 HG23 ILE 72 HG23 ILE 72 -0.621 0.743 -7.703 526 HD11 ILE 72 HD11 ILE 72 1.370 0.735 -5.050 527 HD12 ILE 72 HD12 ILE 72 0.591 -0.522 -6.013 528 HD13 ILE 72 HD13 ILE 72 2.289 -0.680 -5.564 529 H ARG 73 H ARG 73 2.462 4.831 -8.785 530 HA ARG 73 HA ARG 73 5.110 3.938 -9.557 531 HB2 ARG 73 HB2 ARG 73 3.621 6.342 -9.805 532 HB3 ARG 73 HB3 ARG 73 5.053 6.710 -8.854 533 HG2 ARG 73 HG2 ARG 73 5.076 5.346 -11.537 534 HG3 ARG 73 HG3 ARG 73 5.374 7.065 -11.269 535 HD2 ARG 73 HD2 ARG 73 7.248 6.389 -9.732 536 HD3 ARG 73 HD3 ARG 73 7.018 4.735 -10.300 537 HE ARG 73 HE ARG 73 8.354 6.840 -11.673 538 HH11 ARG 73 HH11 ARG 73 6.388 4.006 -12.148 539 HH12 ARG 73 HH12 ARG 73 7.000 3.689 -13.738 540 HH21 ARG 73 HH21 ARG 73 9.166 6.433 -13.766 541 HH22 ARG 73 HH22 ARG 73 8.581 5.069 -14.656 542 H ILE 74 H ILE 74 7.026 4.501 -8.357 543 HA ILE 74 HA ILE 74 6.639 5.072 -5.514 544 HB ILE 74 HB ILE 74 6.662 2.694 -5.478 545 HG12 ILE 74 HG12 ILE 74 9.469 3.647 -4.873 546 HG13 ILE 74 HG13 ILE 74 8.087 3.831 -3.799 547 HG21 ILE 74 HG21 ILE 74 7.593 2.455 -7.790 548 HG22 ILE 74 HG22 ILE 74 9.197 2.711 -7.103 549 HG23 ILE 74 HG23 ILE 74 8.240 1.312 -6.612 550 HD11 ILE 74 HD11 ILE 74 9.360 1.975 -3.046 551 HD12 ILE 74 HD12 ILE 74 7.884 1.344 -3.776 552 HD13 ILE 74 HD13 ILE 74 9.406 1.275 -4.664 553 H LEU 75 H LEU 75 9.013 4.411 -8.078 554 HA LEU 75 HA LEU 75 11.085 5.263 -8.493 555 HB2 LEU 75 HB2 LEU 75 9.477 7.588 -7.551 556 HB3 LEU 75 3HB LEU 75 11.203 7.805 -7.832 557 HG LEU 75 HG LEU 75 9.226 6.843 -9.899 558 HD11 LEU 75 HD11 LEU 75 9.409 9.043 -10.879 559 HD12 LEU 75 HD12 LEU 75 10.514 9.552 -9.602 560 HD13 LEU 75 HD13 LEU 75 8.834 9.178 -9.217 561 HD21 LEU 75 HD21 LEU 75 11.283 7.661 -11.331 562 HD22 LEU 75 HD22 LEU 75 11.216 6.027 -10.672 563 HD23 LEU 75 HD23 LEU 75 12.169 7.267 -9.859 564 H HIS 76 H HIS 76 10.737 7.495 -5.834 565 HA HIS 76 HA HIS 76 12.963 6.146 -4.476 566 HB2 HIS 76 HB2 HIS 76 12.665 8.782 -5.176 567 HB3 HIS 76 3HB HIS 76 12.166 8.794 -3.487 568 HD1 HIS 76 HD1 HIS 76 15.137 8.385 -5.679 569 HD2 HIS 76 HD2 HIS 76 14.207 8.153 -1.638 570 HE1 HIS 76 HE1 HIS 76 17.348 8.368 -4.481 571 H ASP 77 H ASP 77 10.122 8.074 -3.501 572 HA ASP 77 HA ASP 77 8.689 7.886 -1.743 573 HB2 ASP 77 HB2 ASP 77 8.396 5.628 -3.001 574 HB3 ASP 77 3HB ASP 77 9.271 4.942 -1.635 575 H TYR 78 H TYR 78 8.491 6.980 0.582 576 HA TYR 78 HA TYR 78 11.052 6.479 1.859 577 HB2 TYR 78 HB2 TYR 78 9.711 9.082 1.899 578 HB3 TYR 78 3HB TYR 78 10.072 8.458 3.505 579 HD1 TYR 78 HD1 TYR 78 12.597 7.190 3.342 580 HD2 TYR 78 HD2 TYR 78 11.268 10.648 1.251 581 HE1 TYR 78 HE1 TYR 78 14.928 7.939 3.112 582 HE2 TYR 78 HE2 TYR 78 13.596 11.406 1.013 583 HH TYR 78 HH TYR 78 16.213 9.853 2.680 584 H ALA 79 H ALA 79 8.224 5.348 1.470 585 HA ALA 79 HA ALA 79 6.893 5.296 3.936 586 HB1 ALA 79 HB1 ALA 79 5.737 3.329 3.086 587 HB2 ALA 79 HB2 ALA 79 5.864 4.569 1.837 588 HB3 ALA 79 HB3 ALA 79 6.934 3.167 1.801 589 H GLY 80 H GLY 80 6.644 3.349 5.342 590 HA2 GLY 80 HA1 GLY 80 9.060 2.669 6.563 591 HA3 GLY 80 HA2 GLY 80 7.536 1.833 6.814 592 H ILE 81 H ILE 81 7.575 1.318 3.780 593 HA ILE 81 HA ILE 81 8.663 -1.299 3.943 594 HB ILE 81 HB ILE 81 7.727 0.295 1.557 595 HG12 ILE 81 HG12 ILE 81 5.888 -1.586 1.798 596 HG13 ILE 81 HG13 ILE 81 6.450 -1.621 3.465 597 HG21 ILE 81 HG21 ILE 81 7.656 -1.894 0.390 598 HG22 ILE 81 HG22 ILE 81 9.289 -1.356 0.780 599 HG23 ILE 81 HG23 ILE 81 8.516 -2.606 1.754 600 HD11 ILE 81 HD11 ILE 81 4.501 0.004 2.505 601 HD12 ILE 81 HD12 ILE 81 5.445 0.308 3.963 602 HD13 ILE 81 HD13 ILE 81 5.911 1.062 2.438 603 H ALA 82 H ALA 82 9.721 1.659 2.287 604 HA ALA 82 HA ALA 82 12.080 0.467 1.203 605 HB1 ALA 82 HB1 ALA 82 11.455 2.271 -0.054 606 HB2 ALA 82 HB2 ALA 82 10.965 3.221 1.350 607 HB3 ALA 82 HB3 ALA 82 12.676 3.021 0.974 608 H PHE 83 H PHE 83 11.268 1.302 4.309 609 HA PHE 83 HA PHE 83 13.829 2.329 5.148 610 HB2 PHE 83 HB2 PHE 83 11.661 2.953 6.246 611 HB3 PHE 83 3HB PHE 83 11.566 1.311 6.872 612 HD1 PHE 83 HD1 PHE 83 14.087 4.061 6.707 613 HD2 PHE 83 HD2 PHE 83 12.220 1.036 9.045 614 HE1 PHE 83 HE1 PHE 83 15.441 4.733 8.648 615 HE2 PHE 83 HE2 PHE 83 13.569 1.702 10.991 616 HZ PHE 83 HZ PHE 83 15.182 3.553 10.796 617 H TRP 84 H TRP 84 11.979 -0.613 5.958 618 HA TRP 84 HA TRP 84 14.380 -1.900 6.939 619 HB2 TRP 84 HB2 TRP 84 12.980 -3.255 8.072 620 HB3 TRP 84 3HB TRP 84 11.725 -2.112 7.603 621 HD1 TRP 84 HD1 TRP 84 13.244 -5.463 6.399 622 HE1 TRP 84 HE1 TRP 84 11.411 -6.762 5.145 623 HE3 TRP 84 HE3 TRP 84 9.542 -1.937 6.492 624 HZ2 TRP 84 HZ2 TRP 84 8.747 -6.348 4.305 625 HZ3 TRP 84 HZ3 TRP 84 7.381 -2.469 5.440 626 HH2 TRP 84 HH2 TRP 84 6.995 -4.628 4.370 627 H ALA 85 H ALA 85 12.874 -1.537 3.963 628 HA ALA 85 HA ALA 85 13.026 -3.958 2.684 629 HB1 ALA 85 HB1 ALA 85 13.825 -2.417 0.677 630 HB2 ALA 85 HB2 ALA 85 12.176 -2.363 1.302 631 HB3 ALA 85 HB3 ALA 85 13.349 -1.145 1.802 632 H THR 86 H THR 86 15.641 -1.903 3.719 633 HA THR 86 HA THR 86 17.701 -2.993 2.133 634 HB THR 86 HB THR 86 19.256 -1.989 3.684 635 HG1 THR 86 HG1 THR 86 18.658 -2.244 5.716 636 HG21 THR 86 HG21 THR 86 18.493 0.301 3.656 637 HG22 THR 86 HG22 THR 86 16.817 -0.221 3.490 638 HG23 THR 86 HG23 THR 86 17.962 -0.496 2.177 639 H GLY 87 H GLY 87 16.441 -3.871 5.324 640 HA2 GLY 87 HA1 GLY 87 16.409 -6.077 6.166 641 HA3 GLY 87 HA2 GLY 87 17.664 -6.510 5.014 642 H GLU 88 H GLU 88 17.241 -4.259 7.751 643 HA GLU 88 HA GLU 88 20.006 -4.818 8.548 644 HB2 GLU 88 HB2 GLU 88 18.430 -2.466 8.510 645 HB3 GLU 88 HB3 GLU 88 18.744 -2.842 10.198 646 HG2 GLU 88 HG2 GLU 88 21.015 -2.928 8.285 647 HG3 GLU 88 HG3 GLU 88 20.390 -1.359 8.786 648 H TRP 89 H TRP 89 16.759 -4.555 9.987 649 HA TRP 89 HA TRP 89 17.616 -5.815 12.431 650 HB2 TRP 89 HB2 TRP 89 14.928 -4.919 11.396 651 HB3 TRP 89 3HB TRP 89 15.116 -5.754 12.934 652 HD1 TRP 89 HD1 TRP 89 17.826 -3.278 12.013 653 HE1 TRP 89 HE1 TRP 89 17.626 -1.203 13.523 654 HE3 TRP 89 HE3 TRP 89 13.327 -4.305 14.215 655 HZ2 TRP 89 HZ2 TRP 89 15.804 -0.143 15.400 656 HZ3 TRP 89 HZ3 TRP 89 12.427 -2.710 15.857 657 HH2 TRP 89 HH2 TRP 89 13.640 -0.673 16.437 658 H LYS 90 H LYS 90 16.630 -7.780 13.278 659 HA LYS 90 HA LYS 90 16.971 -9.992 11.678 660 HB2 LYS 90 HB2 LYS 90 15.781 -9.455 14.303 661 HB3 LYS 90 HB3 LYS 90 15.114 -10.874 13.506 662 HG2 LYS 90 HG2 LYS 90 17.258 -11.897 13.359 663 HG3 LYS 90 HG3 LYS 90 18.062 -10.417 13.888 664 HD2 LYS 90 HD2 LYS 90 16.025 -11.371 15.752 665 HD3 LYS 90 HD3 LYS 90 17.347 -12.515 15.506 666 HE2 LYS 90 HE2 LYS 90 17.817 -9.605 16.104 667 HE3 LYS 90 HE3 LYS 90 17.621 -10.810 17.377 668 HZ1 LYS 90 HZ1 LYS 90 19.497 -12.034 16.414 669 HZ2 LYS 90 HZ2 LYS 90 19.943 -10.479 16.910 670 HZ3 LYS 90 HZ3 LYS 90 19.710 -10.809 15.267 671 H ALA 91 H ALA 91 15.869 -10.846 10.048 672 HA ALA 91 HA ALA 91 13.320 -9.774 9.272 673 HB1 ALA 91 HB1 ALA 91 13.638 -10.816 7.261 674 HB2 ALA 91 HB2 ALA 91 15.310 -10.681 7.808 675 HB3 ALA 91 HB3 ALA 91 14.446 -12.208 7.983 676 H LYS 92 H LYS 92 14.172 -12.036 11.515 677 HA LYS 92 HA LYS 92 11.948 -13.852 11.024 678 HB2 LYS 92 HB2 LYS 92 14.188 -14.675 11.799 679 HB3 LYS 92 HB3 LYS 92 13.908 -13.847 13.325 680 HG2 LYS 92 HG2 LYS 92 12.453 -15.403 14.059 681 HG3 LYS 92 HG3 LYS 92 11.778 -15.686 12.453 682 HD2 LYS 92 HD2 LYS 92 14.081 -16.781 11.960 683 HD3 LYS 92 HD3 LYS 92 14.222 -16.866 13.717 684 HE2 LYS 92 HE2 LYS 92 11.635 -17.778 12.756 685 HE3 LYS 92 HE3 LYS 92 12.971 -18.708 12.080 686 HZ1 LYS 92 HZ1 LYS 92 12.526 -19.818 14.028 687 HZ2 LYS 92 HZ2 LYS 92 12.157 -18.411 14.892 688 HZ3 LYS 92 HZ3 LYS 92 13.766 -18.778 14.522 689 H ASN 93 H ASN 93 12.190 -10.872 12.277 690 HA ASN 93 HA ASN 93 10.396 -11.334 14.545 691 HB2 ASN 93 HB2 ASN 93 12.265 -9.180 13.753 692 HB3 ASN 93 3HB ASN 93 10.784 -8.655 14.548 693 HD21 ASN 93 HD21 ASN 93 13.596 -10.735 14.863 694 HD22 ASN 93 HD22 ASN 93 13.609 -10.767 16.591 695 H GLU 94 H GLU 94 8.340 -10.486 14.661 696 HA GLU 94 HA GLU 94 6.309 -9.783 13.916 697 HB2 GLU 94 HB2 GLU 94 7.892 -8.125 11.945 698 HB3 GLU 94 HB3 GLU 94 6.223 -7.863 12.435 699 HG2 GLU 94 HG2 GLU 94 7.138 -7.577 14.795 700 HG3 GLU 94 HG3 GLU 94 8.724 -7.457 14.036 701 H PHE 95 H PHE 95 4.843 -9.755 11.974 702 HA PHE 95 HA PHE 95 5.490 -12.054 10.311 703 HB2 PHE 95 HB2 PHE 95 3.218 -11.462 11.579 704 HB3 PHE 95 3HB PHE 95 2.883 -10.638 10.060 705 HD1 PHE 95 HD1 PHE 95 4.323 -13.911 11.141 706 HD2 PHE 95 HD2 PHE 95 1.659 -11.837 8.549 707 HE1 PHE 95 HE1 PHE 95 3.638 -16.051 10.137 708 HE2 PHE 95 HE2 PHE 95 0.969 -13.973 7.543 709 HZ PHE 95 HZ PHE 95 1.958 -16.084 8.337 710 H THR 96 H THR 96 6.370 -9.057 10.025 711 HA THR 96 HA THR 96 5.366 -7.970 7.688 712 HB THR 96 HB THR 96 8.306 -7.769 8.150 713 HG1 THR 96 HG1 THR 96 7.592 -6.138 9.850 714 HG21 THR 96 HG21 THR 96 6.598 -6.419 6.561 715 HG22 THR 96 HG22 THR 96 8.076 -5.715 7.218 716 HG23 THR 96 HG23 THR 96 6.528 -5.413 8.007 717 H GLN 97 H GLN 97 7.503 -10.672 8.117 718 HA GLN 97 HA GLN 97 8.813 -10.841 5.707 719 HB2 GLN 97 HB2 GLN 97 7.568 -13.151 7.207 720 HB3 GLN 97 HB3 GLN 97 8.880 -13.259 6.042 721 HG2 GLN 97 HG2 GLN 97 10.412 -12.282 7.483 722 HG3 GLN 97 HG3 GLN 97 9.154 -11.572 8.494 723 HE21 GLN 97 HE21 GLN 97 7.596 -13.423 9.323 724 HE22 GLN 97 HE22 GLN 97 8.419 -14.730 10.098 725 H ALA 98 H ALA 98 5.492 -11.804 6.450 726 HA ALA 98 HA ALA 98 4.771 -13.113 4.150 727 HB1 ALA 98 HB1 ALA 98 3.300 -11.421 6.095 728 HB2 ALA 98 HB2 ALA 98 2.486 -11.849 4.590 729 HB3 ALA 98 HB3 ALA 98 3.072 -13.117 5.668 730 H TYR 99 H TYR 99 5.176 -9.660 4.646 731 HA TYR 99 HA TYR 99 3.938 -8.657 2.382 732 HB2 TYR 99 HB2 TYR 99 4.798 -7.185 4.099 733 HB3 TYR 99 3HB TYR 99 6.449 -7.698 3.768 734 HD1 TYR 99 HD1 TYR 99 3.553 -6.331 1.828 735 HD2 TYR 99 HD2 TYR 99 7.735 -6.194 2.598 736 HE1 TYR 99 HE1 TYR 99 3.787 -4.503 0.198 737 HE2 TYR 99 HE2 TYR 99 7.981 -4.366 0.972 738 HH TYR 99 HH TYR 99 6.285 -3.665 -1.278 739 H ALA 100 H ALA 100 7.329 -9.683 2.737 740 HA ALA 100 HA ALA 100 8.117 -9.213 0.093 741 HB1 ALA 100 HB1 ALA 100 9.364 -11.518 1.436 742 HB2 ALA 100 HB2 ALA 100 10.099 -10.088 0.711 743 HB3 ALA 100 HB3 ALA 100 9.403 -9.998 2.329 744 H LYS 101 H LYS 101 6.400 -11.885 1.546 745 HA LYS 101 HA LYS 101 6.727 -13.678 -0.659 746 HB2 LYS 101 HB2 LYS 101 4.493 -13.841 1.343 747 HB3 LYS 101 HB3 LYS 101 5.319 -15.150 0.509 748 HG2 LYS 101 HG2 LYS 101 6.421 -13.432 2.720 749 HG3 LYS 101 HG3 LYS 101 5.984 -15.140 2.811 750 HD2 LYS 101 HD2 LYS 101 7.785 -14.902 0.667 751 HD3 LYS 101 HD3 LYS 101 8.456 -13.934 1.981 752 HE2 LYS 101 HE2 LYS 101 8.189 -15.870 3.492 753 HE3 LYS 101 HE3 LYS 101 7.611 -16.827 2.130 754 HZ1 LYS 101 HZ1 LYS 101 10.262 -16.317 2.911 755 HZ2 LYS 101 HZ2 LYS 101 10.024 -15.664 1.370 756 HZ3 LYS 101 HZ3 LYS 101 9.705 -17.301 1.653 757 H LEU 102 H LEU 102 3.978 -11.744 0.528 758 HA LEU 102 HA LEU 102 2.209 -12.352 -1.546 759 HB2 LEU 102 HB2 LEU 102 2.455 -10.161 0.445 760 HB3 LEU 102 3HB LEU 102 1.349 -9.926 -0.906 761 HG LEU 102 HG LEU 102 1.224 -12.179 1.098 762 HD11 LEU 102 HD11 LEU 102 -0.834 -10.040 0.795 763 HD12 LEU 102 HD12 LEU 102 0.612 -9.734 1.757 764 HD13 LEU 102 HD13 LEU 102 -0.466 -11.062 2.185 765 HD21 LEU 102 HD21 LEU 102 0.233 -12.066 -1.507 766 HD22 LEU 102 HD22 LEU 102 -1.148 -11.704 -0.471 767 HD23 LEU 102 HD23 LEU 102 -0.236 -13.195 -0.235 768 H MET 103 H MET 103 4.893 -10.153 -1.409 769 HA MET 103 HA MET 103 4.310 -8.355 -3.418 770 HB2 MET 103 HB2 MET 103 6.295 -8.021 -2.173 771 HB3 MET 103 HB3 MET 103 6.912 -9.617 -2.579 772 HG2 MET 103 HG2 MET 103 7.862 -8.889 -4.451 773 HG3 MET 103 HG3 MET 103 6.426 -7.984 -4.927 774 HE1 MET 103 HE1 MET 103 10.268 -7.180 -3.584 775 HE2 MET 103 HE2 MET 103 9.637 -6.671 -2.018 776 HE3 MET 103 HE3 MET 103 9.285 -8.290 -2.627 777 H ASN 104 H ASN 104 6.333 -11.253 -3.917 778 HA ASN 104 HA ASN 104 6.276 -11.204 -6.695 779 HB2 ASN 104 HB2 ASN 104 7.866 -12.587 -5.508 780 HB3 ASN 104 3HB ASN 104 6.568 -13.554 -4.814 781 HD21 ASN 104 HD21 ASN 104 5.322 -14.888 -6.233 782 HD22 ASN 104 HD22 ASN 104 6.021 -15.482 -7.697 783 H GLN 105 H GLN 105 3.935 -12.419 -4.416 784 HA GLN 105 HA GLN 105 2.439 -14.152 -5.937 785 HB2 GLN 105 HB2 GLN 105 2.126 -12.837 -3.497 786 HB3 GLN 105 HB3 GLN 105 0.717 -12.364 -4.436 787 HG2 GLN 105 HG2 GLN 105 1.565 -15.226 -4.123 788 HG3 GLN 105 HG3 GLN 105 0.484 -14.419 -2.987 789 HE21 GLN 105 HE21 GLN 105 -1.183 -13.000 -4.444 790 HE22 GLN 105 HE22 GLN 105 -2.066 -13.982 -5.558 791 H TYR 106 H TYR 106 2.199 -10.612 -5.834 792 HA TYR 106 HA TYR 106 0.800 -10.722 -8.419 793 HB2 TYR 106 HB2 TYR 106 -0.387 -8.574 -7.543 794 HB3 TYR 106 3HB TYR 106 -0.980 -10.153 -7.036 795 HD1 TYR 106 HD1 TYR 106 1.634 -7.721 -5.903 796 HD2 TYR 106 HD2 TYR 106 -1.572 -10.299 -4.820 797 HE1 TYR 106 HE1 TYR 106 1.904 -7.058 -3.550 798 HE2 TYR 106 HE2 TYR 106 -1.312 -9.643 -2.464 799 HH TYR 106 HH TYR 106 1.395 -7.859 -1.341 800 H ARG 107 H ARG 107 3.589 -10.353 -7.932 801 HA ARG 107 HA ARG 107 4.144 -7.527 -8.191 802 HB2 ARG 107 HB2 ARG 107 5.782 -8.744 -6.990 803 HB3 ARG 107 HB3 ARG 107 5.860 -10.001 -8.217 804 HG2 ARG 107 HG2 ARG 107 6.541 -7.391 -9.281 805 HG3 ARG 107 HG3 ARG 107 7.583 -7.867 -7.938 806 HD2 ARG 107 HD2 ARG 107 8.075 -9.978 -9.058 807 HD3 ARG 107 HD3 ARG 107 7.007 -9.531 -10.388 808 HE ARG 107 HE ARG 107 8.933 -7.524 -10.086 809 HH11 ARG 107 HH11 ARG 107 8.706 -10.864 -11.042 810 HH12 ARG 107 HH12 ARG 107 10.067 -10.787 -12.111 811 HH21 ARG 107 HH21 ARG 107 10.727 -7.409 -11.491 812 HH22 ARG 107 HH22 ARG 107 11.215 -8.822 -12.366 813 H GLY 108 H GLY 108 4.325 -6.419 -10.034 814 HA2 GLY 108 HA1 GLY 108 5.443 -7.053 -12.404 815 HA3 GLY 108 HA2 GLY 108 3.853 -7.788 -12.543 816 H ILE 109 H ILE 109 2.825 -5.524 -10.767 817 HA ILE 109 HA ILE 109 2.502 -3.597 -12.961 818 HB ILE 109 HB ILE 109 0.538 -2.793 -11.524 819 HG12 ILE 109 HG12 ILE 109 1.528 -4.363 -9.603 820 HG13 ILE 109 HG13 ILE 109 -0.193 -4.014 -9.732 821 HG21 ILE 109 HG21 ILE 109 0.643 -5.418 -12.964 822 HG22 ILE 109 HG22 ILE 109 -0.866 -4.802 -12.295 823 HG23 ILE 109 HG23 ILE 109 -0.000 -3.872 -13.517 824 HD11 ILE 109 HD11 ILE 109 1.113 -6.441 -10.930 825 HD12 ILE 109 HD12 ILE 109 0.362 -6.404 -9.335 826 HD13 ILE 109 HD13 ILE 109 -0.612 -6.112 -10.775 827 H TYR 110 H TYR 110 3.420 -3.913 -9.595 828 HA TYR 110 HA TYR 110 4.082 -1.043 -9.534 829 HB2 TYR 110 HB2 TYR 110 3.817 -1.066 -7.180 830 HB3 TYR 110 3HB TYR 110 2.448 -1.972 -7.814 831 HD1 TYR 110 HD1 TYR 110 2.547 -4.504 -7.757 832 HD2 TYR 110 HD2 TYR 110 5.310 -2.049 -5.649 833 HE1 TYR 110 HE1 TYR 110 3.139 -6.411 -6.322 834 HE2 TYR 110 HE2 TYR 110 5.909 -3.950 -4.209 835 HH TYR 110 HH TYR 110 4.929 -6.071 -3.459 836 H SER 111 H SER 111 5.942 -0.684 -7.818 837 HA SER 111 HA SER 111 8.072 -2.652 -8.310 838 HB2 SER 111 HB2 SER 111 9.423 -0.252 -8.224 839 HB3 SER 111 3HB SER 111 9.016 -1.140 -9.692 840 HG SER 111 HG SER 111 7.967 0.621 -10.169 841 H PHE 112 H PHE 112 9.646 -2.836 -6.701 842 HA PHE 112 HA PHE 112 9.860 -1.169 -4.449 843 HB2 PHE 112 HB2 PHE 112 7.713 -3.118 -4.351 844 HB3 PHE 112 3HB PHE 112 8.886 -3.394 -3.068 845 HD1 PHE 112 HD1 PHE 112 9.694 -1.024 -1.975 846 HD2 PHE 112 HD2 PHE 112 5.917 -1.839 -3.759 847 HE1 PHE 112 HE1 PHE 112 8.684 0.793 -0.660 848 HE2 PHE 112 HE2 PHE 112 4.901 -0.023 -2.448 849 HZ PHE 112 HZ PHE 112 6.284 1.297 -0.896 850 H GLU 113 H GLU 113 11.640 -1.681 -3.249 851 HA GLU 113 HA GLU 113 13.392 -3.681 -4.312 852 HB2 GLU 113 HB2 GLU 113 13.584 -1.416 -2.496 853 HB3 GLU 113 HB3 GLU 113 14.506 -2.797 -1.921 854 HG2 GLU 113 HG2 GLU 113 15.815 -2.860 -3.893 855 HG3 GLU 113 HG3 GLU 113 14.755 -1.715 -4.711 856 H LYS 114 H LYS 114 14.598 -5.159 -2.752 857 HA LYS 114 HA LYS 114 12.918 -7.119 -1.782 858 HB2 LYS 114 HB2 LYS 114 15.582 -6.940 -2.131 859 HB3 LYS 114 HB3 LYS 114 15.511 -6.810 -0.379 860 HG2 LYS 114 HG2 LYS 114 14.201 -8.917 -0.332 861 HG3 LYS 114 HG3 LYS 114 14.449 -9.060 -2.074 862 HD2 LYS 114 HD2 LYS 114 16.599 -9.703 -1.842 863 HD3 LYS 114 HD3 LYS 114 16.888 -8.606 -0.490 864 HE2 LYS 114 HE2 LYS 114 16.942 -10.497 0.725 865 HE3 LYS 114 HE3 LYS 114 15.185 -10.383 0.644 866 HZ1 LYS 114 HZ1 LYS 114 16.885 -12.373 -0.421 867 HZ2 LYS 114 HZ2 LYS 114 16.000 -11.660 -1.674 868 HZ3 LYS 114 HZ3 LYS 114 15.194 -12.345 -0.353 869 H VAL 115 H VAL 115 12.748 -7.903 0.502 870 HA VAL 115 HA VAL 115 12.854 -5.870 2.565 871 HB VAL 115 HB VAL 115 10.336 -6.671 3.080 872 HG11 VAL 115 HG11 VAL 115 11.168 -4.367 1.322 873 HG12 VAL 115 HG12 VAL 115 9.604 -4.511 2.126 874 HG13 VAL 115 HG13 VAL 115 11.080 -4.374 3.083 875 HG21 VAL 115 HG21 VAL 115 10.477 -7.882 0.785 876 HG22 VAL 115 HG22 VAL 115 9.016 -6.987 1.206 877 HG23 VAL 115 HG23 VAL 115 10.207 -6.272 0.120 878 H LYS 116 H LYS 116 13.387 -6.767 4.449 879 HA LYS 116 HA LYS 116 13.407 -9.673 4.655 880 HB2 LYS 116 HB2 LYS 116 14.879 -7.446 5.889 881 HB3 LYS 116 HB3 LYS 116 14.494 -8.759 6.994 882 HG2 LYS 116 HG2 LYS 116 15.523 -10.333 5.341 883 HG3 LYS 116 HG3 LYS 116 16.067 -8.919 4.436 884 HD2 LYS 116 HD2 LYS 116 16.967 -8.254 6.873 885 HD3 LYS 116 HD3 LYS 116 17.022 -10.013 7.015 886 HE2 LYS 116 HE2 LYS 116 18.109 -8.888 4.517 887 HE3 LYS 116 HE3 LYS 116 19.017 -8.518 5.982 888 HZ1 LYS 116 HZ1 LYS 116 19.106 -10.850 4.509 889 HZ2 LYS 116 HZ2 LYS 116 18.281 -11.254 5.929 890 HZ3 LYS 116 HZ3 LYS 116 19.825 -10.567 6.014 891 H ALA 117 H ALA 117 12.915 -7.353 7.278 892 HA ALA 117 HA ALA 117 10.220 -7.667 7.754 893 HB1 ALA 117 HB1 ALA 117 9.902 -9.727 8.509 894 HB2 ALA 117 HB2 ALA 117 11.615 -10.087 8.281 895 HB3 ALA 117 HB3 ALA 117 11.049 -9.426 9.815 896 H HIS 118 H HIS 118 9.716 -7.425 10.238 897 HA HIS 118 HA HIS 118 9.909 -6.158 12.119 898 HB2 HIS 118 HB2 HIS 118 12.275 -7.482 11.967 899 HB3 HIS 118 3HB HIS 118 12.836 -5.813 11.939 900 HD1 HIS 118 HD1 HIS 118 13.769 -7.078 14.334 901 HD2 HIS 118 HD2 HIS 118 9.873 -5.650 14.131 902 HE1 HIS 118 HE1 HIS 118 13.037 -6.778 16.722 903 H SER 119 H SER 119 11.459 -4.059 12.862 904 HA SER 119 HA SER 119 11.847 -1.838 12.536 905 HB2 SER 119 HB2 SER 119 11.707 -2.053 9.566 906 HB3 SER 119 3HB SER 119 12.849 -1.168 10.578 907 HG SER 119 HG SER 119 13.982 -2.866 9.795 908 H GLY 120 H GLY 120 10.905 0.070 10.943 909 HA2 GLY 120 HA1 GLY 120 8.793 0.604 9.732 910 HA3 GLY 120 HA2 GLY 120 7.980 -0.359 10.957 911 H ASN 121 H ASN 121 8.625 2.718 10.015 912 HA ASN 121 HA ASN 121 8.043 3.741 12.699 913 HB2 ASN 121 HB2 ASN 121 9.657 5.526 12.496 914 HB3 ASN 121 3HB ASN 121 10.487 3.990 12.262 915 HD21 ASN 121 HD21 ASN 121 10.831 3.315 10.011 916 HD22 ASN 121 HD22 ASN 121 11.162 4.534 8.832 917 H GLU 122 H GLU 122 8.199 6.483 11.901 918 HA GLU 122 HA GLU 122 5.606 6.779 10.760 919 HB2 GLU 122 HB2 GLU 122 6.548 8.341 12.438 920 HB3 GLU 122 HB3 GLU 122 7.720 8.884 11.246 921 HG2 GLU 122 HG2 GLU 122 6.031 9.850 9.896 922 HG3 GLU 122 HG3 GLU 122 4.751 9.083 10.834 923 H PHE 123 H PHE 123 8.442 6.021 9.320 924 HA PHE 123 HA PHE 123 8.786 7.670 7.149 925 HB2 PHE 123 HB2 PHE 123 9.451 4.920 7.822 926 HB3 PHE 123 3HB PHE 123 9.152 5.117 6.099 927 HD1 PHE 123 HD1 PHE 123 10.582 7.651 8.379 928 HD2 PHE 123 HD2 PHE 123 11.326 4.859 5.254 929 HE1 PHE 123 HE1 PHE 123 12.844 8.576 8.096 930 HE2 PHE 123 HE2 PHE 123 13.590 5.780 4.968 931 HZ PHE 123 HZ PHE 123 14.351 7.640 6.389 932 H ASN 124 H ASN 124 6.262 5.339 7.730 933 HA ASN 124 HA ASN 124 5.289 5.143 5.081 934 HB2 ASN 124 HB2 ASN 124 3.338 4.114 6.041 935 HB3 ASN 124 3HB ASN 124 4.743 3.558 6.946 936 HD21 ASN 124 HD21 ASN 124 4.861 3.942 9.079 937 HD22 ASN 124 HD22 ASN 124 3.670 4.807 9.985 938 H ASP 125 H ASP 125 4.559 7.312 7.764 939 HA ASP 125 HA ASP 125 2.303 8.581 6.780 940 HB2 ASP 125 HB2 ASP 125 4.337 9.137 8.779 941 HB3 ASP 125 3HB ASP 125 3.773 10.613 8.000 942 H TYR 126 H TYR 126 5.576 8.781 5.701 943 HA TYR 126 HA TYR 126 5.704 11.256 4.495 944 HB2 TYR 126 HB2 TYR 126 7.690 10.045 4.424 945 HB3 TYR 126 3HB TYR 126 6.903 8.593 3.819 946 HD1 TYR 126 HD1 TYR 126 6.294 8.417 1.432 947 HD2 TYR 126 HD2 TYR 126 8.479 11.744 2.931 948 HE1 TYR 126 HE1 TYR 126 6.953 9.009 -0.862 949 HE2 TYR 126 HE2 TYR 126 9.144 12.347 0.640 950 HH TYR 126 HH TYR 126 8.910 11.896 -1.524 951 H VAL 127 H VAL 127 4.172 8.305 3.318 952 HA VAL 127 HA VAL 127 3.610 9.059 0.705 953 HB VAL 127 HB VAL 127 1.782 7.451 0.747 954 HG11 VAL 127 HG11 VAL 127 3.028 5.481 1.417 955 HG12 VAL 127 HG12 VAL 127 4.101 6.636 0.624 956 HG13 VAL 127 HG13 VAL 127 4.122 6.475 2.380 957 HG21 VAL 127 HG21 VAL 127 1.745 8.122 3.549 958 HG22 VAL 127 HG22 VAL 127 0.531 7.287 2.580 959 HG23 VAL 127 HG23 VAL 127 1.846 6.377 3.323 960 H ASP 128 H ASP 128 2.211 10.147 3.674 961 HA ASP 128 HA ASP 128 -0.278 11.060 2.788 962 HB2 ASP 128 HB2 ASP 128 1.509 12.248 4.922 963 HB3 ASP 128 3HB ASP 128 -0.209 12.584 4.724 964 H MET 129 H MET 129 2.799 12.842 3.053 965 HA MET 129 HA MET 129 1.768 15.181 1.789 966 HB2 MET 129 HB2 MET 129 3.793 14.940 3.389 967 HB3 MET 129 HB3 MET 129 4.690 14.503 1.941 968 HG2 MET 129 HG2 MET 129 4.335 16.615 0.960 969 HG3 MET 129 HG3 MET 129 3.102 17.039 2.145 970 HE1 MET 129 HE1 MET 129 6.890 15.909 1.925 971 HE2 MET 129 HE2 MET 129 7.448 16.403 3.523 972 HE3 MET 129 HE3 MET 129 6.235 15.132 3.367 973 H LYS 130 H LYS 130 3.669 12.410 0.705 974 HA LYS 130 HA LYS 130 4.285 13.333 -1.870 975 HB2 LYS 130 HB2 LYS 130 4.896 11.106 -0.440 976 HB3 LYS 130 HB3 LYS 130 3.747 10.443 -1.595 977 HG2 LYS 130 HG2 LYS 130 6.223 12.004 -2.306 978 HG3 LYS 130 HG3 LYS 130 6.067 10.246 -2.360 979 HD2 LYS 130 HD2 LYS 130 5.397 10.495 -4.473 980 HD3 LYS 130 HD3 LYS 130 3.896 11.155 -3.820 981 HE2 LYS 130 HE2 LYS 130 4.866 12.640 -5.500 982 HE3 LYS 130 HE3 LYS 130 4.833 13.403 -3.912 983 HZ1 LYS 130 HZ1 LYS 130 6.956 13.541 -5.355 984 HZ2 LYS 130 HZ2 LYS 130 7.250 11.975 -4.790 985 HZ3 LYS 130 HZ3 LYS 130 7.102 13.256 -3.694 986 H ALA 131 H ALA 131 1.457 11.645 -0.610 987 HA ALA 131 HA ALA 131 0.227 11.262 -3.159 988 HB1 ALA 131 HB1 ALA 131 -0.380 9.776 -1.402 989 HB2 ALA 131 HB2 ALA 131 -0.853 11.113 -0.352 990 HB3 ALA 131 HB3 ALA 131 -1.805 10.740 -1.789 991 H LYS 132 H LYS 132 0.115 13.752 -0.690 992 HA LYS 132 HA LYS 132 -2.157 15.146 -1.417 993 HB2 LYS 132 HB2 LYS 132 0.388 15.818 -0.076 994 HB3 LYS 132 HB3 LYS 132 -0.489 17.182 -0.756 995 HG2 LYS 132 HG2 LYS 132 -2.514 16.346 0.496 996 HG3 LYS 132 HG3 LYS 132 -1.424 15.239 1.335 997 HD2 LYS 132 HD2 LYS 132 -0.144 17.086 2.206 998 HD3 LYS 132 HD3 LYS 132 -1.086 18.237 1.256 999 HE2 LYS 132 HE2 LYS 132 -3.057 16.983 2.611 1000 HE3 LYS 132 HE3 LYS 132 -1.744 16.866 3.781 1001 HZ1 LYS 132 HZ1 LYS 132 -2.349 18.915 4.363 1002 HZ2 LYS 132 HZ2 LYS 132 -3.267 19.160 2.965 1003 HZ3 LYS 132 HZ3 LYS 132 -1.598 19.436 2.940 1004 H SER 133 H SER 133 1.075 15.278 -2.838 1005 HA SER 133 HA SER 133 0.775 17.453 -4.525 1006 HB2 SER 133 HB2 SER 133 2.539 15.132 -4.360 1007 HB3 SER 133 3HB SER 133 2.283 15.669 -6.020 1008 HG SER 133 HG SER 133 3.710 16.838 -4.020 1009 H ALA 134 H ALA 134 -0.436 14.190 -4.853 1010 HA ALA 134 HA ALA 134 -1.072 14.130 -7.556 1011 HB1 ALA 134 HB1 ALA 134 -1.236 12.232 -5.920 1012 HB2 ALA 134 HB2 ALA 134 -2.769 12.920 -5.384 1013 HB3 ALA 134 HB3 ALA 134 -2.584 12.369 -7.049 1014 H LEU 135 H LEU 135 -2.600 15.829 -4.936 1015 HA LEU 135 HA LEU 135 -4.932 16.490 -6.560 1016 HB2 LEU 135 HB2 LEU 135 -4.393 17.601 -3.836 1017 HB3 LEU 135 3HB LEU 135 -5.937 17.286 -4.625 1018 HG LEU 135 HG LEU 135 -4.075 15.130 -3.636 1019 HD11 LEU 135 HD11 LEU 135 -6.286 15.072 -2.033 1020 HD12 LEU 135 HD12 LEU 135 -6.010 16.802 -2.226 1021 HD13 LEU 135 HD13 LEU 135 -4.726 15.770 -1.597 1022 HD21 LEU 135 HD21 LEU 135 -5.522 14.351 -5.385 1023 HD22 LEU 135 HD22 LEU 135 -6.923 15.107 -4.625 1024 HD23 LEU 135 HD23 LEU 135 -6.126 13.741 -3.844 1025 H GLY 136 H GLY 136 -2.090 18.017 -5.131 1026 HA2 GLY 136 HA1 GLY 136 -1.052 19.798 -6.467 1027 HA3 GLY 136 HA2 GLY 136 -2.673 20.405 -6.772 1028 H ILE 137 H ILE 137 -1.440 19.269 -3.673 1029 HA ILE 137 HA ILE 137 -2.362 21.579 -2.313 1030 HB ILE 137 HB ILE 137 -0.344 19.592 -1.278 1031 HG12 ILE 137 HG12 ILE 137 -2.261 18.365 -2.136 1032 HG13 ILE 137 HG13 ILE 137 -2.291 18.353 -0.376 1033 HG21 ILE 137 HG21 ILE 137 -2.103 21.660 -0.049 1034 HG22 ILE 137 HG22 ILE 137 -1.706 20.208 0.869 1035 HG23 ILE 137 HG23 ILE 137 -0.418 21.266 0.293 1036 HD11 ILE 137 HD11 ILE 137 -4.335 19.182 -0.401 1037 HD12 ILE 137 HD12 ILE 137 -3.769 20.601 -1.281 1038 HD13 ILE 137 HD13 ILE 137 -4.311 19.174 -2.164 1039 H ARG 138 H ARG 138 -1.391 23.456 -1.861 1040 HA ARG 138 HA ARG 138 0.941 24.274 -3.158 1041 HB2 ARG 138 HB2 ARG 138 0.863 26.204 -1.492 1042 HB3 ARG 138 HB3 ARG 138 -0.560 25.967 -2.497 1043 HG2 ARG 138 HG2 ARG 138 -0.727 24.497 -0.004 1044 HG3 ARG 138 HG3 ARG 138 -0.510 26.230 0.247 1045 HD2 ARG 138 HD2 ARG 138 -2.530 25.210 -1.712 1046 HD3 ARG 138 HD3 ARG 138 -2.904 25.276 0.009 1047 HE ARG 138 HE ARG 138 -1.876 27.745 -1.035 1048 HH11 ARG 138 HH11 ARG 138 -4.730 25.806 -0.573 1049 HH12 ARG 138 HH12 ARG 138 -5.814 27.157 -0.621 1050 HH21 ARG 138 HH21 ARG 138 -3.293 29.531 -1.101 1051 HH22 ARG 138 HH22 ARG 138 -4.996 29.275 -0.922 1052 H ASP 139 H ASP 139 2.666 25.497 -1.574 1053 HA ASP 139 HA ASP 139 4.510 25.227 -0.269 1054 HB2 ASP 139 HB2 ASP 139 3.187 23.025 1.268 1055 HB3 ASP 139 3HB ASP 139 4.246 24.309 1.846 1056 H LEU 140 H LEU 140 6.295 23.758 0.184 1057 HA LEU 140 HA LEU 140 6.171 21.132 -1.061 1058 HB2 LEU 140 HB2 LEU 140 8.446 21.856 -2.201 1059 HB3 LEU 140 3HB LEU 140 6.886 22.070 -2.994 1060 HG LEU 140 HG LEU 140 7.981 24.318 -1.374 1061 HD11 LEU 140 HD11 LEU 140 9.575 24.958 -2.855 1062 HD12 LEU 140 HD12 LEU 140 8.772 24.193 -4.224 1063 HD13 LEU 140 HD13 LEU 140 9.697 23.214 -3.085 1064 HD21 LEU 140 HD21 LEU 140 5.745 23.944 -2.924 1065 HD22 LEU 140 HD22 LEU 140 6.835 24.811 -4.007 1066 HD23 LEU 140 HD23 LEU 140 6.415 25.502 -2.439 1067 H GLU 141 H GLU 141 7.920 19.756 -0.488 1068 HA GLU 141 HA GLU 141 9.677 20.773 1.637 1069 HB2 GLU 141 HB2 GLU 141 7.669 18.614 1.797 1070 HB3 GLU 141 HB3 GLU 141 9.244 18.230 2.478 1071 HG2 GLU 141 HG2 GLU 141 7.805 20.751 3.212 1072 HG3 GLU 141 HG3 GLU 141 7.459 19.222 4.019 1073 H HIS 142 H HIS 142 11.406 19.057 2.166 1074 HA HIS 142 HA HIS 142 12.137 17.187 0.156 1075 HB2 HIS 142 HB2 HIS 142 12.637 19.485 -0.895 1076 HB3 HIS 142 3HB HIS 142 13.956 19.585 0.268 1077 HD1 HIS 142 HD1 HIS 142 13.092 18.238 -3.007 1078 HD2 HIS 142 HD2 HIS 142 15.922 17.455 -0.066 1079 HE1 HIS 142 HE1 HIS 142 14.870 16.860 -4.133 1080 H HIS 143 H HIS 143 13.633 15.775 0.913 1081 HA HIS 143 HA HIS 143 15.134 16.518 3.329 1082 HB2 HIS 143 HB2 HIS 143 13.659 13.907 2.928 1083 HB3 HIS 143 3HB HIS 143 14.658 14.324 4.316 1084 HD1 HIS 143 HD1 HIS 143 13.729 16.649 5.572 1085 HD2 HIS 143 HD2 HIS 143 11.040 14.371 3.371 1086 HE1 HIS 143 HE1 HIS 143 11.450 17.315 6.398 1087 H HIS 144 H HIS 144 16.952 15.017 3.779 1088 HA HIS 144 HA HIS 144 17.896 13.257 1.751 1089 HB2 HIS 144 HB2 HIS 144 19.875 14.571 1.071 1090 HB3 HIS 144 3HB HIS 144 18.369 15.337 0.576 1091 HD1 HIS 144 HD1 HIS 144 21.374 15.845 2.676 1092 HD2 HIS 144 HD2 HIS 144 17.721 17.711 2.011 1093 HE1 HIS 144 HE1 HIS 144 21.590 18.132 3.699 1094 H HIS 145 H HIS 145 19.999 12.330 2.278 1095 HA HIS 145 HA HIS 145 21.440 12.968 4.603 1096 HB2 HIS 145 HB2 HIS 145 19.045 11.827 5.279 1097 HB3 HIS 145 3HB HIS 145 20.103 10.420 5.212 1098 HD1 HIS 145 HD1 HIS 145 18.882 12.682 7.580 1099 HD2 HIS 145 HD2 HIS 145 22.672 11.187 6.765 1100 HE1 HIS 145 HE1 HIS 145 20.208 13.024 9.689 1101 H HIS 146 H HIS 146 23.327 11.826 4.710 1102 HA HIS 146 HA HIS 146 23.634 9.285 3.391 1103 HB2 HIS 146 HB2 HIS 146 24.031 11.583 1.843 1104 HB3 HIS 146 3HB HIS 146 25.650 11.040 2.276 1105 HD1 HIS 146 HD1 HIS 146 26.546 9.716 0.400 1106 HD2 HIS 146 HD2 HIS 146 22.514 8.945 1.037 1107 HE1 HIS 146 HE1 HIS 146 25.932 7.930 -1.260 1108 H HIS 147 H HIS 147 25.849 8.428 3.626 1109 HA HIS 147 HA HIS 147 26.953 9.259 6.189 1110 HB2 HIS 147 HB2 HIS 147 26.488 6.791 5.151 1111 HB3 HIS 147 3HB HIS 147 28.192 6.993 4.756 1112 HD1 HIS 147 HD1 HIS 147 29.500 8.087 7.101 1113 HD2 HIS 147 HD2 HIS 147 26.277 5.496 7.498 1114 HE1 HIS 147 HE1 HIS 147 29.686 7.132 9.420 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -6.520 3.142 -18.985 2 HA MET 1 HA MET 1 -5.799 3.812 -21.430 3 HB2 MET 1 HB2 MET 1 -7.424 6.187 -20.523 4 HB3 MET 1 HB3 MET 1 -6.631 5.958 -22.077 5 HG2 MET 1 HG2 MET 1 -8.180 4.186 -22.641 6 HG3 MET 1 HG3 MET 1 -8.941 4.320 -21.057 7 HE1 MET 1 HE1 MET 1 -7.664 6.244 -23.925 8 HE2 MET 1 HE2 MET 1 -9.109 6.903 -24.690 9 HE3 MET 1 HE3 MET 1 -8.248 7.845 -23.474 10 H ASP 2 H ASP 2 -6.344 5.613 -18.416 11 HA ASP 2 HA ASP 2 -3.648 5.672 -17.674 12 HB2 ASP 2 HB2 ASP 2 -4.467 7.773 -19.541 13 HB3 ASP 2 3HB ASP 2 -3.759 8.403 -18.056 14 H ASP 3 H ASP 3 -3.286 7.580 -16.010 15 HA ASP 3 HA ASP 3 -5.736 8.318 -14.628 16 HB2 ASP 3 HB2 ASP 3 -5.365 7.161 -12.655 17 HB3 ASP 3 3HB ASP 3 -4.838 5.984 -13.855 18 H ARG 4 H ARG 4 -5.339 9.822 -12.837 19 HA ARG 4 HA ARG 4 -3.001 11.494 -13.419 20 HB2 ARG 4 HB2 ARG 4 -5.075 12.679 -13.624 21 HB3 ARG 4 HB3 ARG 4 -5.631 12.092 -12.062 22 HG2 ARG 4 HG2 ARG 4 -4.678 13.789 -11.001 23 HG3 ARG 4 HG3 ARG 4 -3.132 13.505 -11.804 24 HD2 ARG 4 HD2 ARG 4 -3.928 14.744 -13.762 25 HD3 ARG 4 HD3 ARG 4 -5.467 15.031 -12.951 26 HE ARG 4 HE ARG 4 -3.215 15.959 -11.442 27 HH11 ARG 4 HH11 ARG 4 -5.432 16.747 -14.007 28 HH12 ARG 4 HH12 ARG 4 -5.251 18.459 -13.816 29 HH21 ARG 4 HH21 ARG 4 -2.968 18.212 -11.178 30 HH22 ARG 4 HH22 ARG 4 -3.847 19.291 -12.207 31 H THR 5 H THR 5 -1.541 10.171 -12.209 32 HA THR 5 HA THR 5 -1.760 10.608 -9.304 33 HB THR 5 HB THR 5 -0.350 8.415 -9.171 34 HG1 THR 5 HG1 THR 5 -0.233 8.265 -11.528 35 HG21 THR 5 HG21 THR 5 -3.287 8.249 -9.853 36 HG22 THR 5 HG22 THR 5 -2.649 8.746 -8.286 37 HG23 THR 5 HG23 THR 5 -2.359 7.111 -8.878 38 H GLU 6 H GLU 6 0.037 11.342 -8.287 39 HA GLU 6 HA GLU 6 2.093 12.528 -9.804 40 HB2 GLU 6 HB2 GLU 6 1.229 12.555 -7.111 41 HB3 GLU 6 HB3 GLU 6 2.930 12.112 -7.090 42 HG2 GLU 6 HG2 GLU 6 2.340 14.338 -8.874 43 HG3 GLU 6 HG3 GLU 6 1.937 14.658 -7.187 44 H TYR 7 H TYR 7 2.506 10.004 -7.320 45 HA TYR 7 HA TYR 7 4.080 8.350 -9.051 46 HB2 TYR 7 HB2 TYR 7 5.398 10.232 -7.168 47 HB3 TYR 7 3HB TYR 7 6.042 8.595 -7.239 48 HD1 TYR 7 HD1 TYR 7 6.538 7.688 -9.650 49 HD2 TYR 7 HD2 TYR 7 6.172 11.813 -8.672 50 HE1 TYR 7 HE1 TYR 7 7.811 8.274 -11.671 51 HE2 TYR 7 HE2 TYR 7 7.444 12.410 -10.691 52 HH TYR 7 HH TYR 7 8.247 11.626 -12.661 53 H ASP 8 H ASP 8 4.447 8.883 -5.570 54 HA ASP 8 HA ASP 8 4.020 6.124 -4.991 55 HB2 ASP 8 HB2 ASP 8 5.505 7.527 -3.624 56 HB3 ASP 8 3HB ASP 8 4.126 8.501 -3.121 57 H VAL 9 H VAL 9 2.366 5.277 -3.555 58 HA VAL 9 HA VAL 9 -0.231 6.567 -4.048 59 HB VAL 9 HB VAL 9 0.449 3.688 -3.438 60 HG11 VAL 9 HG11 VAL 9 -2.239 5.020 -3.737 61 HG12 VAL 9 HG12 VAL 9 -1.984 3.275 -3.768 62 HG13 VAL 9 HG13 VAL 9 -1.607 4.197 -2.312 63 HG21 VAL 9 HG21 VAL 9 -0.296 5.209 -5.884 64 HG22 VAL 9 HG22 VAL 9 0.861 3.893 -5.681 65 HG23 VAL 9 HG23 VAL 9 -0.869 3.548 -5.722 66 H TYR 10 H TYR 10 -1.725 6.836 -2.394 67 HA TYR 10 HA TYR 10 -0.646 7.369 0.178 68 HB2 TYR 10 HB2 TYR 10 -2.484 8.699 -0.648 69 HB3 TYR 10 3HB TYR 10 -3.502 7.273 -0.809 70 HD1 TYR 10 HD1 TYR 10 -1.517 9.026 1.833 71 HD2 TYR 10 HD2 TYR 10 -5.073 6.915 0.836 72 HE1 TYR 10 HE1 TYR 10 -2.358 9.374 4.119 73 HE2 TYR 10 HE2 TYR 10 -5.925 7.259 3.117 74 HH TYR 10 HH TYR 10 -3.965 8.352 5.665 75 H THR 11 H THR 11 0.250 5.257 0.667 76 HA THR 11 HA THR 11 -1.747 3.528 1.949 77 HB THR 11 HB THR 11 -0.517 1.516 1.250 78 HG1 THR 11 HG1 THR 11 1.049 1.823 -0.485 79 HG21 THR 11 HG21 THR 11 -2.053 3.237 -0.466 80 HG22 THR 11 HG22 THR 11 -2.036 1.476 -0.380 81 HG23 THR 11 HG23 THR 11 -0.887 2.319 -1.418 82 H ASP 12 H ASP 12 -0.885 2.195 3.670 83 HA ASP 12 HA ASP 12 0.347 1.830 5.548 84 HB2 ASP 12 HB2 ASP 12 2.753 3.177 4.412 85 HB3 ASP 12 3HB ASP 12 2.634 1.685 5.340 86 H GLY 13 H GLY 13 -0.879 3.309 6.759 87 HA2 GLY 13 HA1 GLY 13 0.278 5.097 8.356 88 HA3 GLY 13 HA2 GLY 13 0.031 6.072 6.914 89 H SER 14 H SER 14 -1.628 4.137 9.359 90 HA SER 14 HA SER 14 -3.678 5.993 9.765 91 HB2 SER 14 HB2 SER 14 -4.111 4.770 7.376 92 HB3 SER 14 3HB SER 14 -4.985 3.687 8.459 93 HG SER 14 HG SER 14 -6.094 5.655 7.531 94 H TYR 15 H TYR 15 -4.698 5.544 11.636 95 HA TYR 15 HA TYR 15 -5.260 2.931 12.576 96 HB2 TYR 15 HB2 TYR 15 -3.694 3.061 14.577 97 HB3 TYR 15 3HB TYR 15 -2.950 2.673 13.031 98 HD1 TYR 15 HD1 TYR 15 -3.421 5.332 15.547 99 HD2 TYR 15 HD2 TYR 15 -1.335 4.122 12.042 100 HE1 TYR 15 HE1 TYR 15 -1.856 7.207 15.839 101 HE2 TYR 15 HE2 TYR 15 0.237 5.993 12.325 102 HH TYR 15 HH TYR 15 -0.242 8.569 13.933 103 H VAL 16 H VAL 16 -6.340 2.930 14.625 104 HA VAL 16 HA VAL 16 -6.956 5.554 15.768 105 HB VAL 16 HB VAL 16 -8.766 5.335 14.258 106 HG11 VAL 16 HG11 VAL 16 -9.127 2.514 15.265 107 HG12 VAL 16 HG12 VAL 16 -10.152 3.329 14.082 108 HG13 VAL 16 HG13 VAL 16 -8.467 2.976 13.696 109 HG21 VAL 16 HG21 VAL 16 -10.686 5.187 15.717 110 HG22 VAL 16 HG22 VAL 16 -9.747 4.300 16.917 111 HG23 VAL 16 HG23 VAL 16 -9.362 5.984 16.567 112 H ASN 17 H ASN 17 -6.757 5.461 17.900 113 HA ASN 17 HA ASN 17 -6.691 4.698 20.041 114 HB2 ASN 17 HB2 ASN 17 -8.993 4.180 19.934 115 HB3 ASN 17 3HB ASN 17 -8.720 2.810 18.861 116 HD21 ASN 17 HD21 ASN 17 -9.876 1.452 20.243 117 HD22 ASN 17 HD22 ASN 17 -9.204 0.881 21.728 118 H GLY 18 H GLY 18 -7.174 1.506 18.591 119 HA2 GLY 18 HA1 GLY 18 -4.348 0.868 18.824 120 HA3 GLY 18 HA2 GLY 18 -5.404 0.031 19.952 121 H GLN 19 H GLN 19 -6.724 0.807 16.877 122 HA GLN 19 HA GLN 19 -6.679 -2.035 16.174 123 HB2 GLN 19 HB2 GLN 19 -8.624 0.069 15.944 124 HB3 GLN 19 HB3 GLN 19 -8.293 -0.605 14.354 125 HG2 GLN 19 HG2 GLN 19 -8.595 -2.888 15.597 126 HG3 GLN 19 HG3 GLN 19 -9.486 -1.898 16.752 127 HE21 GLN 19 HE21 GLN 19 -10.673 -0.075 15.081 128 HE22 GLN 19 HE22 GLN 19 -11.809 -0.881 14.060 129 H TYR 20 H TYR 20 -6.956 -2.139 13.549 130 HA TYR 20 HA TYR 20 -4.807 -0.537 12.357 131 HB2 TYR 20 HB2 TYR 20 -3.697 -2.428 11.445 132 HB3 TYR 20 3HB TYR 20 -3.964 -2.799 13.144 133 HD1 TYR 20 HD1 TYR 20 -5.909 -4.308 13.755 134 HD2 TYR 20 HD2 TYR 20 -4.533 -3.836 9.757 135 HE1 TYR 20 HE1 TYR 20 -7.038 -6.400 13.126 136 HE2 TYR 20 HE2 TYR 20 -5.660 -5.926 9.115 137 HH TYR 20 HH TYR 20 -6.499 -7.944 10.106 138 H ALA 21 H ALA 21 -5.196 0.114 10.317 139 HA ALA 21 HA ALA 21 -7.262 -1.227 8.742 140 HB1 ALA 21 HB1 ALA 21 -8.646 0.587 8.483 141 HB2 ALA 21 HB2 ALA 21 -8.137 0.793 10.159 142 HB3 ALA 21 HB3 ALA 21 -7.381 1.749 8.884 143 H TRP 22 H TRP 22 -7.283 -0.504 6.475 144 HA TRP 22 HA TRP 22 -4.761 0.729 5.616 145 HB2 TRP 22 HB2 TRP 22 -4.647 -0.962 3.763 146 HB3 TRP 22 3HB TRP 22 -4.374 -1.627 5.371 147 HD1 TRP 22 HD1 TRP 22 -6.544 -2.020 2.353 148 HE1 TRP 22 HE1 TRP 22 -8.310 -3.843 2.776 149 HE3 TRP 22 HE3 TRP 22 -5.917 -2.605 7.393 150 HZ2 TRP 22 HZ2 TRP 22 -9.307 -5.332 4.957 151 HZ3 TRP 22 HZ3 TRP 22 -7.317 -4.249 8.572 152 HH2 TRP 22 HH2 TRP 22 -8.977 -5.583 7.378 153 H ALA 23 H ALA 23 -4.998 2.231 4.078 154 HA ALA 23 HA ALA 23 -7.467 2.238 2.480 155 HB1 ALA 23 HB1 ALA 23 -7.952 4.459 2.916 156 HB2 ALA 23 HB2 ALA 23 -7.423 3.867 4.492 157 HB3 ALA 23 HB3 ALA 23 -6.321 4.810 3.488 158 H TYR 24 H TYR 24 -7.313 3.562 0.519 159 HA TYR 24 HA TYR 24 -4.734 4.427 -0.394 160 HB2 TYR 24 HB2 TYR 24 -4.940 2.788 -2.428 161 HB3 TYR 24 3HB TYR 24 -4.195 2.241 -0.930 162 HD1 TYR 24 HD1 TYR 24 -7.595 2.413 -2.483 163 HD2 TYR 24 HD2 TYR 24 -4.845 0.184 -0.123 164 HE1 TYR 24 HE1 TYR 24 -9.208 0.561 -2.364 165 HE2 TYR 24 HE2 TYR 24 -6.450 -1.675 0.002 166 HH TYR 24 HH TYR 24 -9.177 -1.886 -1.982 167 H ALA 25 H ALA 25 -4.827 5.574 -2.364 168 HA ALA 25 HA ALA 25 -7.500 6.544 -3.000 169 HB1 ALA 25 HB1 ALA 25 -6.025 8.317 -2.652 170 HB2 ALA 25 HB2 ALA 25 -4.735 7.549 -3.577 171 HB3 ALA 25 HB3 ALA 25 -6.145 8.206 -4.407 172 H PHE 26 H PHE 26 -8.607 5.815 -4.683 173 HA PHE 26 HA PHE 26 -7.144 4.461 -6.849 174 HB2 PHE 26 HB2 PHE 26 -9.760 3.959 -5.534 175 HB3 PHE 26 3HB PHE 26 -9.664 3.644 -7.264 176 HD1 PHE 26 HD1 PHE 26 -6.875 3.213 -4.894 177 HD2 PHE 26 HD2 PHE 26 -9.903 1.290 -7.187 178 HE1 PHE 26 HE1 PHE 26 -5.835 1.031 -4.434 179 HE2 PHE 26 HE2 PHE 26 -8.868 -0.894 -6.729 180 HZ PHE 26 HZ PHE 26 -6.831 -1.027 -5.351 181 H VAL 27 H VAL 27 -6.910 5.676 -8.598 182 HA VAL 27 HA VAL 27 -9.164 7.379 -9.438 183 HB VAL 27 HB VAL 27 -6.242 8.043 -9.324 184 HG11 VAL 27 HG11 VAL 27 -7.112 10.118 -10.728 185 HG12 VAL 27 HG12 VAL 27 -6.471 8.669 -11.504 186 HG13 VAL 27 HG13 VAL 27 -8.215 8.902 -11.371 187 HG21 VAL 27 HG21 VAL 27 -8.041 8.687 -7.580 188 HG22 VAL 27 HG22 VAL 27 -6.914 9.925 -8.138 189 HG23 VAL 27 HG23 VAL 27 -8.555 9.869 -8.784 190 H LYS 28 H LYS 28 -9.807 7.160 -11.497 191 HA LYS 28 HA LYS 28 -8.039 5.755 -13.380 192 HB2 LYS 28 HB2 LYS 28 -10.887 5.117 -12.674 193 HB3 LYS 28 HB3 LYS 28 -10.255 4.721 -14.267 194 HG2 LYS 28 HG2 LYS 28 -8.516 3.843 -12.104 195 HG3 LYS 28 HG3 LYS 28 -10.128 3.127 -12.040 196 HD2 LYS 28 HD2 LYS 28 -9.048 3.166 -14.736 197 HD3 LYS 28 HD3 LYS 28 -8.010 2.283 -13.614 198 HE2 LYS 28 HE2 LYS 28 -9.618 0.700 -13.163 199 HE3 LYS 28 HE3 LYS 28 -10.949 1.783 -13.568 200 HZ1 LYS 28 HZ1 LYS 28 -10.577 1.481 -15.850 201 HZ2 LYS 28 HZ2 LYS 28 -10.473 -0.071 -15.187 202 HZ3 LYS 28 HZ3 LYS 28 -9.064 0.764 -15.610 203 H ASP 29 H ASP 29 -8.050 6.510 -15.444 204 HA ASP 29 HA ASP 29 -8.463 7.868 -17.224 205 HB2 ASP 29 HB2 ASP 29 -10.916 7.049 -16.535 206 HB3 ASP 29 3HB ASP 29 -11.103 8.765 -16.186 207 H GLY 30 H GLY 30 -7.723 8.837 -14.337 208 HA2 GLY 30 HA1 GLY 30 -6.677 10.861 -13.782 209 HA3 GLY 30 HA2 GLY 30 -7.497 11.630 -15.133 210 H LYS 31 H LYS 31 -9.361 9.698 -12.961 211 HA LYS 31 HA LYS 31 -10.147 11.971 -11.329 212 HB2 LYS 31 HB2 LYS 31 -12.581 11.555 -11.858 213 HB3 LYS 31 HB3 LYS 31 -11.647 12.309 -13.143 214 HG2 LYS 31 HG2 LYS 31 -11.366 9.962 -14.091 215 HG3 LYS 31 HG3 LYS 31 -12.640 9.484 -12.966 216 HD2 LYS 31 HD2 LYS 31 -13.960 10.000 -14.737 217 HD3 LYS 31 HD3 LYS 31 -13.815 11.625 -14.062 218 HE2 LYS 31 HE2 LYS 31 -12.471 12.348 -15.742 219 HE3 LYS 31 HE3 LYS 31 -11.700 10.776 -15.947 220 HZ1 LYS 31 HZ1 LYS 31 -12.985 11.166 -17.869 221 HZ2 LYS 31 HZ2 LYS 31 -14.339 11.646 -16.977 222 HZ3 LYS 31 HZ3 LYS 31 -13.848 10.027 -16.964 223 H VAL 32 H VAL 32 -11.513 11.363 -9.523 224 HA VAL 32 HA VAL 32 -10.677 9.071 -8.200 225 HB VAL 32 HB VAL 32 -13.260 10.565 -7.727 226 HG11 VAL 32 HG11 VAL 32 -11.617 8.802 -5.914 227 HG12 VAL 32 HG12 VAL 32 -13.023 9.745 -5.418 228 HG13 VAL 32 HG13 VAL 32 -13.207 8.430 -6.579 229 HG21 VAL 32 HG21 VAL 32 -11.857 12.286 -7.362 230 HG22 VAL 32 HG22 VAL 32 -11.537 11.460 -5.837 231 HG23 VAL 32 HG23 VAL 32 -10.446 11.239 -7.204 232 H HIS 33 H HIS 33 -11.055 7.015 -8.663 233 HA HIS 33 HA HIS 33 -13.455 6.274 -10.150 234 HB2 HIS 33 HB2 HIS 33 -11.067 5.483 -10.721 235 HB3 HIS 33 3HB HIS 33 -11.245 4.393 -9.349 236 HD1 HIS 33 HD1 HIS 33 -11.680 2.148 -10.279 237 HD2 HIS 33 HD2 HIS 33 -13.794 5.094 -12.308 238 HE1 HIS 33 HE1 HIS 33 -13.099 0.923 -11.958 239 H TYR 34 H TYR 34 -11.811 5.542 -7.104 240 HA TYR 34 HA TYR 34 -14.352 4.462 -6.089 241 HB2 TYR 34 HB2 TYR 34 -11.603 3.262 -5.871 242 HB3 TYR 34 3HB TYR 34 -12.847 2.902 -4.679 243 HD1 TYR 34 HD1 TYR 34 -15.020 1.867 -5.490 244 HD2 TYR 34 HD2 TYR 34 -11.549 2.138 -7.935 245 HE1 TYR 34 HE1 TYR 34 -15.927 0.117 -6.959 246 HE2 TYR 34 HE2 TYR 34 -12.446 0.390 -9.412 247 HH TYR 34 HH TYR 34 -15.506 -0.489 -9.575 248 H GLU 35 H GLU 35 -14.320 4.342 -3.633 249 HA GLU 35 HA GLU 35 -12.553 5.991 -2.156 250 HB2 GLU 35 HB2 GLU 35 -14.312 7.739 -1.573 251 HB3 GLU 35 HB3 GLU 35 -13.551 7.880 -3.151 252 HG2 GLU 35 HG2 GLU 35 -15.482 7.624 -4.221 253 HG3 GLU 35 HG3 GLU 35 -15.955 6.254 -3.218 254 H ASP 36 H ASP 36 -12.575 4.219 -0.775 255 HA ASP 36 HA ASP 36 -14.391 4.280 1.347 256 HB2 ASP 36 HB2 ASP 36 -15.565 3.038 -0.792 257 HB3 ASP 36 3HB ASP 36 -14.868 1.672 0.076 258 H ALA 37 H ALA 37 -12.893 3.902 2.847 259 HA ALA 37 HA ALA 37 -10.727 2.056 2.420 260 HB1 ALA 37 HB1 ALA 37 -11.541 3.811 4.715 261 HB2 ALA 37 HB2 ALA 37 -10.213 2.657 4.848 262 HB3 ALA 37 HB3 ALA 37 -10.137 3.955 3.657 263 H ASP 38 H ASP 38 -10.248 0.674 4.580 264 HA ASP 38 HA ASP 38 -12.609 -0.655 5.592 265 HB2 ASP 38 HB2 ASP 38 -10.629 -2.132 3.845 266 HB3 ASP 38 3HB ASP 38 -11.886 -2.899 4.810 267 H VAL 39 H VAL 39 -12.269 -1.351 7.609 268 HA VAL 39 HA VAL 39 -9.511 -1.327 8.615 269 HB VAL 39 HB VAL 39 -12.046 -1.344 10.251 270 HG11 VAL 39 HG11 VAL 39 -10.220 -2.053 11.570 271 HG12 VAL 39 HG12 VAL 39 -9.150 -0.830 10.882 272 HG13 VAL 39 HG13 VAL 39 -10.461 -0.351 11.959 273 HG21 VAL 39 HG21 VAL 39 -12.001 0.636 8.818 274 HG22 VAL 39 HG22 VAL 39 -11.748 1.067 10.509 275 HG23 VAL 39 HG23 VAL 39 -10.381 1.023 9.397 276 H GLY 40 H GLY 40 -8.812 -2.976 10.094 277 HA2 GLY 40 HA1 GLY 40 -10.218 -5.541 9.671 278 HA3 GLY 40 HA2 GLY 40 -8.468 -5.396 9.742 279 H LYS 41 H LYS 41 -9.599 -7.221 11.345 280 HA LYS 41 HA LYS 41 -8.904 -6.238 13.963 281 HB2 LYS 41 HB2 LYS 41 -11.022 -6.951 15.027 282 HB3 LYS 41 HB3 LYS 41 -11.239 -5.595 13.928 283 HG2 LYS 41 HG2 LYS 41 -11.666 -8.350 12.891 284 HG3 LYS 41 HG3 LYS 41 -12.896 -7.630 13.932 285 HD2 LYS 41 HD2 LYS 41 -12.530 -5.578 12.277 286 HD3 LYS 41 HD3 LYS 41 -12.041 -6.879 11.189 287 HE2 LYS 41 HE2 LYS 41 -14.251 -8.002 12.010 288 HE3 LYS 41 HE3 LYS 41 -14.697 -6.356 12.455 289 HZ1 LYS 41 HZ1 LYS 41 -14.624 -5.659 10.257 290 HZ2 LYS 41 HZ2 LYS 41 -15.338 -7.188 10.146 291 HZ3 LYS 41 HZ3 LYS 41 -13.707 -6.985 9.746 292 H ASN 42 H ASN 42 -8.025 -8.261 12.010 293 HA ASN 42 HA ASN 42 -8.719 -10.837 13.042 294 HB2 ASN 42 HB2 ASN 42 -6.628 -9.845 11.117 295 HB3 ASN 42 3HB ASN 42 -6.653 -11.523 11.650 296 HD21 ASN 42 HD21 ASN 42 -6.912 -11.034 9.032 297 HD22 ASN 42 HD22 ASN 42 -8.532 -11.325 8.507 298 HA PRO 43 HA PRO 43 -5.905 -11.264 16.383 299 HB2 PRO 43 HB2 PRO 43 -5.231 -13.886 16.194 300 HB3 PRO 43 HB3 PRO 43 -6.820 -13.340 16.741 301 HG2 PRO 43 HG2 PRO 43 -5.981 -14.321 14.041 302 HG3 PRO 43 HG3 PRO 43 -7.449 -14.696 14.960 303 HD2 PRO 43 HD2 PRO 43 -7.418 -12.895 12.940 304 HD3 PRO 43 HD3 PRO 43 -8.487 -12.733 14.348 305 H ALA 44 H ALA 44 -4.728 -12.948 13.464 306 HA ALA 44 HA ALA 44 -2.004 -12.875 14.142 307 HB1 ALA 44 HB1 ALA 44 -2.460 -14.391 12.476 308 HB2 ALA 44 HB2 ALA 44 -3.515 -13.279 11.603 309 HB3 ALA 44 HB3 ALA 44 -1.766 -13.063 11.546 310 H ALA 45 H ALA 45 -4.117 -10.457 12.877 311 HA ALA 45 HA ALA 45 -1.922 -8.763 11.978 312 HB1 ALA 45 HB1 ALA 45 -4.913 -8.449 11.893 313 HB2 ALA 45 HB2 ALA 45 -3.794 -7.177 11.399 314 HB3 ALA 45 HB3 ALA 45 -3.807 -8.721 10.546 315 H ALA 46 H ALA 46 -4.700 -8.385 14.192 316 HA ALA 46 HA ALA 46 -3.924 -6.033 15.412 317 HB1 ALA 46 HB1 ALA 46 -5.244 -8.227 16.973 318 HB2 ALA 46 HB2 ALA 46 -5.501 -6.484 17.068 319 HB3 ALA 46 HB3 ALA 46 -6.093 -7.388 15.674 320 H THR 47 H THR 47 -2.829 -9.308 16.024 321 HA THR 47 HA THR 47 -1.527 -8.866 18.476 322 HB THR 47 HB THR 47 -1.995 -11.120 17.546 323 HG1 THR 47 HG1 THR 47 -0.444 -11.755 18.830 324 HG21 THR 47 HG21 THR 47 0.467 -11.143 15.934 325 HG22 THR 47 HG22 THR 47 -0.862 -10.210 15.249 326 HG23 THR 47 HG23 THR 47 -1.090 -11.914 15.638 327 H MET 48 H MET 48 -0.557 -8.280 15.164 328 HA MET 48 HA MET 48 2.150 -7.569 16.002 329 HB2 MET 48 HB2 MET 48 1.009 -7.511 13.208 330 HB3 MET 48 HB3 MET 48 2.706 -7.491 13.672 331 HG2 MET 48 HG2 MET 48 0.782 -9.779 14.008 332 HG3 MET 48 HG3 MET 48 2.092 -9.665 12.835 333 HE1 MET 48 HE1 MET 48 4.337 -8.658 13.821 334 HE2 MET 48 HE2 MET 48 5.151 -9.368 15.215 335 HE3 MET 48 HE3 MET 48 4.908 -10.325 13.753 336 H ARG 49 H ARG 49 -0.420 -6.015 16.538 337 HA ARG 49 HA ARG 49 -1.026 -3.832 16.742 338 HB2 ARG 49 HB2 ARG 49 1.724 -3.109 15.735 339 HB3 ARG 49 HB3 ARG 49 0.670 -2.161 16.775 340 HG2 ARG 49 HG2 ARG 49 0.958 -4.362 18.292 341 HG3 ARG 49 HG3 ARG 49 2.502 -4.366 17.437 342 HD2 ARG 49 HD2 ARG 49 2.324 -1.760 18.121 343 HD3 ARG 49 HD3 ARG 49 1.458 -2.502 19.464 344 HE ARG 49 HE ARG 49 3.979 -3.752 18.883 345 HH11 ARG 49 HH11 ARG 49 2.387 -1.185 20.612 346 HH12 ARG 49 HH12 ARG 49 3.631 -1.043 21.810 347 HH21 ARG 49 HH21 ARG 49 5.624 -3.576 20.453 348 HH22 ARG 49 HH22 ARG 49 5.472 -2.404 21.717 349 H ASN 50 H ASN 50 -0.481 -1.571 15.271 350 HA ASN 50 HA ASN 50 -2.023 -2.040 12.927 351 HB2 ASN 50 HB2 ASN 50 -1.748 0.358 12.507 352 HB3 ASN 50 3HB ASN 50 -2.166 0.066 14.192 353 HD21 ASN 50 HD21 ASN 50 -0.793 0.684 15.768 354 HD22 ASN 50 HD22 ASN 50 0.711 1.486 15.485 355 H VAL 51 H VAL 51 1.228 -2.455 13.558 356 HA VAL 51 HA VAL 51 2.580 -1.518 11.343 357 HB VAL 51 HB VAL 51 3.026 -4.139 12.778 358 HG11 VAL 51 HG11 VAL 51 5.447 -3.133 11.811 359 HG12 VAL 51 HG12 VAL 51 4.572 -4.553 11.235 360 HG13 VAL 51 HG13 VAL 51 4.308 -2.985 10.474 361 HG21 VAL 51 HG21 VAL 51 4.077 -1.357 13.237 362 HG22 VAL 51 HG22 VAL 51 3.164 -2.371 14.354 363 HG23 VAL 51 HG23 VAL 51 4.823 -2.796 13.932 364 H ALA 52 H ALA 52 0.709 -4.505 11.679 365 HA ALA 52 HA ALA 52 1.296 -5.416 9.026 366 HB1 ALA 52 HB1 ALA 52 0.348 -7.332 9.682 367 HB2 ALA 52 HB2 ALA 52 0.333 -6.611 11.292 368 HB3 ALA 52 HB3 ALA 52 -1.103 -6.521 10.272 369 H GLY 53 H GLY 53 -0.992 -3.259 10.419 370 HA2 GLY 53 HA1 GLY 53 -2.997 -3.508 8.384 371 HA3 GLY 53 HA2 GLY 53 -2.885 -2.231 9.588 372 H GLU 54 H GLU 54 -0.542 -1.020 9.091 373 HA GLU 54 HA GLU 54 -1.070 0.689 6.986 374 HB2 GLU 54 HB2 GLU 54 1.378 1.305 7.149 375 HB3 GLU 54 HB3 GLU 54 0.469 1.392 8.651 376 HG2 GLU 54 HG2 GLU 54 1.351 -0.880 9.213 377 HG3 GLU 54 HG3 GLU 54 2.397 -0.750 7.801 378 H ILE 55 H ILE 55 1.184 -2.065 7.033 379 HA ILE 55 HA ILE 55 1.995 -1.817 4.341 380 HB ILE 55 HB ILE 55 2.039 -4.167 6.227 381 HG12 ILE 55 HG12 ILE 55 4.579 -3.149 5.273 382 HG13 ILE 55 HG13 ILE 55 3.623 -1.868 6.010 383 HG21 ILE 55 HG21 ILE 55 2.070 -5.329 4.259 384 HG22 ILE 55 HG22 ILE 55 2.767 -3.988 3.350 385 HG23 ILE 55 HG23 ILE 55 3.785 -4.955 4.416 386 HD11 ILE 55 HD11 ILE 55 4.010 -2.642 8.052 387 HD12 ILE 55 HD12 ILE 55 3.601 -4.294 7.590 388 HD13 ILE 55 HD13 ILE 55 5.232 -3.681 7.318 389 H ALA 56 H ALA 56 -0.724 -3.390 5.870 390 HA ALA 56 HA ALA 56 -1.560 -5.200 3.995 391 HB1 ALA 56 HB1 ALA 56 -3.763 -3.564 4.993 392 HB2 ALA 56 HB2 ALA 56 -3.438 -5.285 5.206 393 HB3 ALA 56 HB3 ALA 56 -2.653 -4.103 6.252 394 H ALA 57 H ALA 57 -2.170 -1.699 3.987 395 HA ALA 57 HA ALA 57 -3.816 -1.487 1.791 396 HB1 ALA 57 HB1 ALA 57 -1.595 0.418 2.526 397 HB2 ALA 57 HB2 ALA 57 -3.019 0.789 1.553 398 HB3 ALA 57 HB3 ALA 57 -3.199 0.388 3.261 399 H ALA 58 H ALA 58 -0.252 -1.351 1.784 400 HA ALA 58 HA ALA 58 0.165 -1.075 -0.932 401 HB1 ALA 58 HB1 ALA 58 2.175 -0.920 0.048 402 HB2 ALA 58 HB2 ALA 58 1.739 -2.031 1.346 403 HB3 ALA 58 HB3 ALA 58 2.256 -2.662 -0.217 404 H LEU 59 H LEU 59 -0.780 -3.902 0.875 405 HA LEU 59 HA LEU 59 -0.173 -5.815 -1.145 406 HB2 LEU 59 HB2 LEU 59 -2.272 -6.145 0.974 407 HB3 LEU 59 3HB LEU 59 -1.289 -7.387 0.201 408 HG LEU 59 HG LEU 59 -0.525 -5.459 2.368 409 HD11 LEU 59 HD11 LEU 59 0.481 -7.755 3.142 410 HD12 LEU 59 HD12 LEU 59 -0.713 -8.410 2.022 411 HD13 LEU 59 HD13 LEU 59 -1.230 -7.394 3.368 412 HD21 LEU 59 HD21 LEU 59 1.170 -6.544 0.229 413 HD22 LEU 59 HD22 LEU 59 1.778 -6.796 1.865 414 HD23 LEU 59 HD23 LEU 59 1.428 -5.163 1.296 415 H TYR 60 H TYR 60 -3.376 -4.822 0.072 416 HA TYR 60 HA TYR 60 -4.825 -5.829 -2.090 417 HB2 TYR 60 HB2 TYR 60 -5.632 -3.442 -0.423 418 HB3 TYR 60 3HB TYR 60 -6.691 -4.578 -1.253 419 HD1 TYR 60 HD1 TYR 60 -6.904 -6.910 -0.394 420 HD2 TYR 60 HD2 TYR 60 -4.789 -3.905 1.750 421 HE1 TYR 60 HE1 TYR 60 -7.037 -8.280 1.644 422 HE2 TYR 60 HE2 TYR 60 -4.916 -5.267 3.795 423 HH TYR 60 HH TYR 60 -5.180 -7.930 4.219 424 H ALA 61 H ALA 61 -2.962 -2.948 -1.788 425 HA ALA 61 HA ALA 61 -4.198 -1.355 -3.757 426 HB1 ALA 61 HB1 ALA 61 -1.301 -1.386 -2.916 427 HB2 ALA 61 HB2 ALA 61 -2.119 -0.091 -3.791 428 HB3 ALA 61 HB3 ALA 61 -2.590 -0.470 -2.135 429 H VAL 62 H VAL 62 -1.644 -3.794 -3.941 430 HA VAL 62 HA VAL 62 -1.167 -3.390 -6.739 431 HB VAL 62 HB VAL 62 -0.375 -5.713 -4.976 432 HG11 VAL 62 HG11 VAL 62 1.248 -6.244 -6.688 433 HG12 VAL 62 HG12 VAL 62 -0.371 -6.224 -7.392 434 HG13 VAL 62 HG13 VAL 62 0.724 -4.866 -7.655 435 HG21 VAL 62 HG21 VAL 62 1.690 -4.633 -4.615 436 HG22 VAL 62 HG22 VAL 62 1.361 -3.418 -5.851 437 HG23 VAL 62 HG23 VAL 62 0.459 -3.401 -4.335 438 H LYS 63 H LYS 63 -2.924 -5.779 -4.800 439 HA LYS 63 HA LYS 63 -3.637 -7.584 -6.759 440 HB2 LYS 63 HB2 LYS 63 -5.404 -6.648 -4.492 441 HB3 LYS 63 HB3 LYS 63 -5.535 -8.174 -5.354 442 HG2 LYS 63 HG2 LYS 63 -3.372 -8.870 -4.487 443 HG3 LYS 63 HG3 LYS 63 -3.200 -7.324 -3.651 444 HD2 LYS 63 HD2 LYS 63 -4.151 -8.335 -1.900 445 HD3 LYS 63 HD3 LYS 63 -5.662 -8.230 -2.805 446 HE2 LYS 63 HE2 LYS 63 -5.734 -10.456 -2.611 447 HE3 LYS 63 HE3 LYS 63 -4.489 -10.472 -3.860 448 HZ1 LYS 63 HZ1 LYS 63 -3.021 -11.268 -2.423 449 HZ2 LYS 63 HZ2 LYS 63 -4.277 -11.473 -1.309 450 HZ3 LYS 63 HZ3 LYS 63 -3.353 -10.056 -1.289 451 H LYS 64 H LYS 64 -5.395 -4.646 -5.787 452 HA LYS 64 HA LYS 64 -7.351 -4.938 -7.863 453 HB2 LYS 64 HB2 LYS 64 -6.885 -3.175 -5.595 454 HB3 LYS 64 HB3 LYS 64 -7.446 -2.294 -7.010 455 HG2 LYS 64 HG2 LYS 64 -9.517 -3.098 -6.828 456 HG3 LYS 64 HG3 LYS 64 -8.951 -4.738 -6.503 457 HD2 LYS 64 HD2 LYS 64 -8.452 -2.870 -4.312 458 HD3 LYS 64 HD3 LYS 64 -10.165 -3.076 -4.688 459 HE2 LYS 64 HE2 LYS 64 -8.392 -5.469 -4.433 460 HE3 LYS 64 HE3 LYS 64 -8.997 -4.670 -2.984 461 HZ1 LYS 64 HZ1 LYS 64 -11.150 -4.984 -4.718 462 HZ2 LYS 64 HZ2 LYS 64 -10.885 -5.768 -3.242 463 HZ3 LYS 64 HZ3 LYS 64 -10.337 -6.467 -4.681 464 H ALA 65 H ALA 65 -4.336 -3.208 -7.458 465 HA ALA 65 HA ALA 65 -4.467 -1.321 -9.460 466 HB1 ALA 65 HB1 ALA 65 -2.574 -1.300 -8.063 467 HB2 ALA 65 HB2 ALA 65 -2.158 -2.967 -8.465 468 HB3 ALA 65 HB3 ALA 65 -1.963 -1.695 -9.670 469 H SER 66 H SER 66 -3.699 -4.765 -9.743 470 HA SER 66 HA SER 66 -3.035 -4.729 -12.486 471 HB2 SER 66 HB2 SER 66 -2.326 -6.630 -11.279 472 HB3 SER 66 3HB SER 66 -3.932 -6.908 -10.608 473 HG SER 66 HG SER 66 -3.633 -6.983 -13.385 474 H GLN 67 H GLN 67 -6.065 -4.832 -10.785 475 HA GLN 67 HA GLN 67 -7.629 -5.706 -13.020 476 HB2 GLN 67 HB2 GLN 67 -8.453 -4.361 -10.441 477 HB3 GLN 67 HB3 GLN 67 -9.563 -5.061 -11.612 478 HG2 GLN 67 HG2 GLN 67 -8.151 -7.219 -11.235 479 HG3 GLN 67 HG3 GLN 67 -7.685 -6.414 -9.737 480 HE21 GLN 67 HE21 GLN 67 -9.611 -5.474 -8.515 481 HE22 GLN 67 HE22 GLN 67 -10.991 -6.504 -8.374 482 H LEU 68 H LEU 68 -6.984 -2.579 -11.477 483 HA LEU 68 HA LEU 68 -8.595 -1.131 -13.366 484 HB2 LEU 68 HB2 LEU 68 -6.538 -0.061 -11.442 485 HB3 LEU 68 3HB LEU 68 -7.819 0.851 -12.240 486 HG LEU 68 HG LEU 68 -9.103 -1.191 -10.800 487 HD11 LEU 68 HD11 LEU 68 -7.557 0.252 -8.759 488 HD12 LEU 68 HD12 LEU 68 -6.667 -0.983 -9.649 489 HD13 LEU 68 HD13 LEU 68 -8.140 -1.413 -8.782 490 HD21 LEU 68 HD21 LEU 68 -9.961 0.711 -9.482 491 HD22 LEU 68 HD22 LEU 68 -10.015 1.007 -11.220 492 HD23 LEU 68 HD23 LEU 68 -8.755 1.752 -10.237 493 H GLY 69 H GLY 69 -5.594 -2.548 -13.550 494 HA2 GLY 69 HA1 GLY 69 -3.810 -2.334 -14.981 495 HA3 GLY 69 HA2 GLY 69 -4.983 -1.647 -16.092 496 H VAL 70 H VAL 70 -4.135 -0.220 -13.000 497 HA VAL 70 HA VAL 70 -3.016 2.080 -14.457 498 HB VAL 70 HB VAL 70 -3.590 3.458 -12.567 499 HG11 VAL 70 HG11 VAL 70 -5.468 2.082 -14.157 500 HG12 VAL 70 HG12 VAL 70 -6.158 2.209 -12.539 501 HG13 VAL 70 HG13 VAL 70 -5.640 3.663 -13.394 502 HG21 VAL 70 HG21 VAL 70 -3.368 2.391 -10.589 503 HG22 VAL 70 HG22 VAL 70 -5.095 2.103 -10.796 504 HG23 VAL 70 HG23 VAL 70 -3.934 0.850 -11.233 505 H LYS 71 H LYS 71 -2.430 -0.218 -11.882 506 HA LYS 71 HA LYS 71 -0.545 -0.809 -10.756 507 HB2 LYS 71 HB2 LYS 71 0.935 0.853 -12.801 508 HB3 LYS 71 HB3 LYS 71 1.604 -0.425 -11.794 509 HG2 LYS 71 HG2 LYS 71 1.311 -1.653 -13.653 510 HG3 LYS 71 HG3 LYS 71 -0.337 -1.798 -13.040 511 HD2 LYS 71 HD2 LYS 71 -1.181 -0.293 -14.568 512 HD3 LYS 71 HD3 LYS 71 0.373 0.516 -14.787 513 HE2 LYS 71 HE2 LYS 71 -0.039 -2.323 -15.660 514 HE3 LYS 71 HE3 LYS 71 -0.522 -0.976 -16.689 515 HZ1 LYS 71 HZ1 LYS 71 1.765 -1.888 -17.082 516 HZ2 LYS 71 HZ2 LYS 71 2.212 -1.247 -15.582 517 HZ3 LYS 71 HZ3 LYS 71 1.691 -0.218 -16.820 518 H ILE 72 H ILE 72 1.668 0.354 -9.901 519 HA ILE 72 HA ILE 72 0.921 3.019 -8.912 520 HB ILE 72 HB ILE 72 1.786 2.437 -6.677 521 HG12 ILE 72 HG12 ILE 72 2.069 -0.279 -7.948 522 HG13 ILE 72 HG13 ILE 72 3.273 0.644 -7.054 523 HG21 ILE 72 HG21 ILE 72 -0.676 2.046 -7.612 524 HG22 ILE 72 HG22 ILE 72 -0.299 0.387 -7.149 525 HG23 ILE 72 HG23 ILE 72 -0.225 1.677 -5.947 526 HD11 ILE 72 HD11 ILE 72 1.733 0.341 -5.040 527 HD12 ILE 72 HD12 ILE 72 0.937 -0.901 -6.006 528 HD13 ILE 72 HD13 ILE 72 2.646 -1.057 -5.603 529 H ARG 73 H ARG 73 2.535 4.476 -8.888 530 HA ARG 73 HA ARG 73 5.038 3.778 -10.098 531 HB2 ARG 73 HB2 ARG 73 3.544 6.170 -9.597 532 HB3 ARG 73 HB3 ARG 73 5.180 6.382 -8.989 533 HG2 ARG 73 HG2 ARG 73 4.404 5.588 -11.787 534 HG3 ARG 73 HG3 ARG 73 5.022 7.158 -11.270 535 HD2 ARG 73 HD2 ARG 73 7.085 5.948 -10.471 536 HD3 ARG 73 HD3 ARG 73 6.467 4.516 -11.293 537 HE ARG 73 HE ARG 73 6.436 6.457 -13.206 538 HH11 ARG 73 HH11 ARG 73 8.863 5.149 -11.081 539 HH12 ARG 73 HH12 ARG 73 10.170 5.445 -12.179 540 HH21 ARG 73 HH21 ARG 73 8.149 6.851 -14.661 541 HH22 ARG 73 HH22 ARG 73 9.763 6.414 -14.213 542 H ILE 74 H ILE 74 6.333 2.538 -8.848 543 HA ILE 74 HA ILE 74 7.376 3.765 -6.412 544 HB ILE 74 HB ILE 74 6.649 0.846 -6.402 545 HG12 ILE 74 HG12 ILE 74 5.016 3.163 -5.343 546 HG13 ILE 74 HG13 ILE 74 4.573 2.110 -6.681 547 HG21 ILE 74 HG21 ILE 74 8.239 2.399 -4.751 548 HG22 ILE 74 HG22 ILE 74 6.714 2.266 -3.876 549 HG23 ILE 74 HG23 ILE 74 7.574 0.810 -4.376 550 HD11 ILE 74 HD11 ILE 74 4.431 0.220 -5.165 551 HD12 ILE 74 HD12 ILE 74 4.916 1.252 -3.819 552 HD13 ILE 74 HD13 ILE 74 3.381 1.535 -4.638 553 H LEU 75 H LEU 75 8.464 3.457 -9.050 554 HA LEU 75 HA LEU 75 10.208 1.278 -9.293 555 HB2 LEU 75 HB2 LEU 75 9.564 3.001 -11.045 556 HB3 LEU 75 3HB LEU 75 10.776 4.049 -10.312 557 HG LEU 75 HG LEU 75 12.389 2.057 -10.766 558 HD11 LEU 75 HD11 LEU 75 11.008 0.335 -11.474 559 HD12 LEU 75 HD12 LEU 75 11.636 0.981 -12.990 560 HD13 LEU 75 HD13 LEU 75 10.008 1.404 -12.457 561 HD21 LEU 75 HD21 LEU 75 13.107 3.126 -12.686 562 HD22 LEU 75 HD22 LEU 75 12.172 4.388 -11.884 563 HD23 LEU 75 HD23 LEU 75 11.467 3.485 -13.226 564 H HIS 76 H HIS 76 10.976 4.604 -8.250 565 HA HIS 76 HA HIS 76 13.173 3.480 -6.640 566 HB2 HIS 76 HB2 HIS 76 13.288 5.419 -8.737 567 HB3 HIS 76 3HB HIS 76 13.712 6.211 -7.223 568 HD1 HIS 76 HD1 HIS 76 16.195 6.419 -7.562 569 HD2 HIS 76 HD2 HIS 76 14.816 2.543 -8.135 570 HE1 HIS 76 HE1 HIS 76 18.257 4.997 -7.776 571 H ASP 77 H ASP 77 10.267 4.367 -6.144 572 HA ASP 77 HA ASP 77 10.317 6.654 -4.498 573 HB2 ASP 77 HB2 ASP 77 8.166 6.107 -5.115 574 HB3 ASP 77 3HB ASP 77 8.433 4.378 -4.910 575 H TYR 78 H TYR 78 11.096 6.957 -2.521 576 HA TYR 78 HA TYR 78 12.080 4.655 -1.025 577 HB2 TYR 78 HB2 TYR 78 12.436 7.590 -0.399 578 HB3 TYR 78 3HB TYR 78 13.336 6.241 0.288 579 HD1 TYR 78 HD1 TYR 78 14.884 4.929 -1.201 580 HD2 TYR 78 HD2 TYR 78 13.108 8.594 -2.429 581 HE1 TYR 78 HE1 TYR 78 16.575 5.148 -2.972 582 HE2 TYR 78 HE2 TYR 78 14.794 8.823 -4.204 583 HH TYR 78 HH TYR 78 17.482 7.622 -4.355 584 H ALA 79 H ALA 79 9.290 4.884 -1.119 585 HA ALA 79 HA ALA 79 8.110 6.236 1.022 586 HB1 ALA 79 HB1 ALA 79 6.735 5.332 -0.706 587 HB2 ALA 79 HB2 ALA 79 7.294 3.693 -0.372 588 HB3 ALA 79 HB3 ALA 79 6.288 4.538 0.805 589 H GLY 80 H GLY 80 6.791 4.588 2.660 590 HA2 GLY 80 HA1 GLY 80 8.578 4.013 4.699 591 HA3 GLY 80 HA2 GLY 80 6.959 3.339 4.578 592 H ILE 81 H ILE 81 7.154 1.756 2.350 593 HA ILE 81 HA ILE 81 8.289 -0.586 3.357 594 HB ILE 81 HB ILE 81 7.382 0.194 0.602 595 HG12 ILE 81 HG12 ILE 81 5.725 -1.668 1.131 596 HG13 ILE 81 HG13 ILE 81 6.370 -1.649 2.769 597 HG21 ILE 81 HG21 ILE 81 7.638 -2.276 0.058 598 HG22 ILE 81 HG22 ILE 81 9.113 -1.311 0.086 599 HG23 ILE 81 HG23 ILE 81 8.720 -2.360 1.448 600 HD11 ILE 81 HD11 ILE 81 4.243 -0.229 2.003 601 HD12 ILE 81 HD12 ILE 81 5.332 0.278 3.295 602 HD13 ILE 81 HD13 ILE 81 5.513 0.950 1.675 603 H ALA 82 H ALA 82 9.554 1.760 1.033 604 HA ALA 82 HA ALA 82 11.940 0.272 0.492 605 HB1 ALA 82 HB1 ALA 82 12.667 2.518 -0.514 606 HB2 ALA 82 HB2 ALA 82 11.294 1.686 -1.246 607 HB3 ALA 82 HB3 ALA 82 11.022 3.049 -0.161 608 H PHE 83 H PHE 83 10.936 1.970 3.159 609 HA PHE 83 HA PHE 83 13.394 3.256 3.871 610 HB2 PHE 83 HB2 PHE 83 10.834 3.536 4.718 611 HB3 PHE 83 3HB PHE 83 11.491 2.552 6.021 612 HD1 PHE 83 HD1 PHE 83 13.528 3.383 7.250 613 HD2 PHE 83 HD2 PHE 83 11.281 5.828 4.587 614 HE1 PHE 83 HE1 PHE 83 14.513 5.393 8.270 615 HE2 PHE 83 HE2 PHE 83 12.263 7.842 5.604 616 HZ PHE 83 HZ PHE 83 13.879 7.627 7.448 617 H TRP 84 H TRP 84 11.682 0.421 5.198 618 HA TRP 84 HA TRP 84 14.041 -0.414 6.640 619 HB2 TRP 84 HB2 TRP 84 12.612 -1.626 7.882 620 HB3 TRP 84 3HB TRP 84 11.332 -0.785 7.011 621 HD1 TRP 84 HD1 TRP 84 13.309 -4.103 6.871 622 HE1 TRP 84 HE1 TRP 84 11.830 -5.865 5.717 623 HE3 TRP 84 HE3 TRP 84 9.371 -1.120 5.552 624 HZ2 TRP 84 HZ2 TRP 84 9.326 -5.976 4.418 625 HZ3 TRP 84 HZ3 TRP 84 7.474 -2.133 4.355 626 HH2 TRP 84 HH2 TRP 84 7.454 -4.510 3.801 627 H ALA 85 H ALA 85 12.720 -0.921 3.543 628 HA ALA 85 HA ALA 85 13.433 -3.519 2.915 629 HB1 ALA 85 HB1 ALA 85 13.519 -1.065 1.166 630 HB2 ALA 85 HB2 ALA 85 13.621 -2.725 0.577 631 HB3 ALA 85 HB3 ALA 85 12.157 -2.164 1.386 632 H THR 86 H THR 86 15.453 -0.794 3.532 633 HA THR 86 HA THR 86 17.767 -1.569 2.127 634 HB THR 86 HB THR 86 18.998 -0.095 3.686 635 HG1 THR 86 HG1 THR 86 17.473 1.068 5.201 636 HG21 THR 86 HG21 THR 86 16.372 1.060 2.736 637 HG22 THR 86 HG22 THR 86 17.829 0.872 1.760 638 HG23 THR 86 HG23 THR 86 17.825 1.979 3.132 639 H GLY 87 H GLY 87 16.268 -2.910 4.870 640 HA2 GLY 87 HA1 GLY 87 16.853 -4.883 5.957 641 HA3 GLY 87 HA2 GLY 87 18.413 -4.835 5.149 642 H GLU 88 H GLU 88 16.537 -3.289 7.734 643 HA GLU 88 HA GLU 88 19.042 -2.498 9.035 644 HB2 GLU 88 HB2 GLU 88 16.542 -1.233 8.756 645 HB3 GLU 88 HB3 GLU 88 16.676 -1.667 10.454 646 HG2 GLU 88 HG2 GLU 88 18.727 -0.104 8.902 647 HG3 GLU 88 HG3 GLU 88 17.510 0.592 9.970 648 H TRP 89 H TRP 89 16.054 -4.298 9.626 649 HA TRP 89 HA TRP 89 17.351 -5.525 11.971 650 HB2 TRP 89 HB2 TRP 89 14.848 -4.213 11.776 651 HB3 TRP 89 3HB TRP 89 14.512 -5.928 11.994 652 HD1 TRP 89 HD1 TRP 89 15.824 -2.885 13.827 653 HE1 TRP 89 HE1 TRP 89 16.180 -3.478 16.306 654 HE3 TRP 89 HE3 TRP 89 15.154 -7.945 13.554 655 HZ2 TRP 89 HZ2 TRP 89 16.178 -5.786 17.931 656 HZ3 TRP 89 HZ3 TRP 89 15.348 -9.274 15.617 657 HH2 TRP 89 HH2 TRP 89 15.850 -8.214 17.759 658 H LYS 90 H LYS 90 16.786 -7.771 12.395 659 HA LYS 90 HA LYS 90 17.141 -9.428 10.183 660 HB2 LYS 90 HB2 LYS 90 16.012 -10.083 12.910 661 HB3 LYS 90 HB3 LYS 90 16.506 -11.284 11.725 662 HG2 LYS 90 HG2 LYS 90 18.621 -9.389 12.164 663 HG3 LYS 90 HG3 LYS 90 18.080 -10.083 13.694 664 HD2 LYS 90 HD2 LYS 90 18.538 -11.891 11.365 665 HD3 LYS 90 HD3 LYS 90 19.931 -11.269 12.255 666 HE2 LYS 90 HE2 LYS 90 18.457 -12.059 14.324 667 HE3 LYS 90 HE3 LYS 90 17.809 -13.160 13.110 668 HZ1 LYS 90 HZ1 LYS 90 20.433 -13.101 14.342 669 HZ2 LYS 90 HZ2 LYS 90 20.423 -13.423 12.682 670 HZ3 LYS 90 HZ3 LYS 90 19.548 -14.411 13.740 671 H ALA 91 H ALA 91 15.727 -10.982 9.212 672 HA ALA 91 HA ALA 91 13.267 -9.926 8.372 673 HB1 ALA 91 HB1 ALA 91 13.809 -11.410 6.798 674 HB2 ALA 91 HB2 ALA 91 14.810 -12.349 7.907 675 HB3 ALA 91 HB3 ALA 91 13.068 -12.618 7.847 676 H LYS 92 H LYS 92 14.107 -11.703 11.175 677 HA LYS 92 HA LYS 92 11.544 -12.866 11.678 678 HB2 LYS 92 HB2 LYS 92 14.147 -12.892 12.889 679 HB3 LYS 92 HB3 LYS 92 12.939 -12.542 14.119 680 HG2 LYS 92 HG2 LYS 92 12.180 -14.635 14.117 681 HG3 LYS 92 HG3 LYS 92 12.154 -14.717 12.353 682 HD2 LYS 92 HD2 LYS 92 14.837 -14.724 13.552 683 HD3 LYS 92 HD3 LYS 92 13.846 -16.132 13.944 684 HE2 LYS 92 HE2 LYS 92 14.010 -16.954 11.869 685 HE3 LYS 92 HE3 LYS 92 13.706 -15.381 11.132 686 HZ1 LYS 92 HZ1 LYS 92 16.259 -15.363 12.302 687 HZ2 LYS 92 HZ2 LYS 92 15.849 -15.208 10.668 688 HZ3 LYS 92 HZ3 LYS 92 16.130 -16.741 11.328 689 H ASN 93 H ASN 93 12.623 -9.719 11.748 690 HA ASN 93 HA ASN 93 11.348 -8.722 14.071 691 HB2 ASN 93 HB2 ASN 93 13.117 -7.626 12.460 692 HB3 ASN 93 3HB ASN 93 11.685 -7.034 11.622 693 HD21 ASN 93 HD21 ASN 93 12.872 -7.354 14.954 694 HD22 ASN 93 HD22 ASN 93 12.387 -5.774 15.457 695 H GLU 94 H GLU 94 9.238 -8.876 14.444 696 HA GLU 94 HA GLU 94 6.980 -8.904 14.146 697 HB2 GLU 94 HB2 GLU 94 8.000 -6.545 12.952 698 HB3 GLU 94 HB3 GLU 94 6.726 -7.145 11.900 699 HG2 GLU 94 HG2 GLU 94 5.161 -6.419 13.280 700 HG3 GLU 94 HG3 GLU 94 5.884 -7.278 14.637 701 H PHE 95 H PHE 95 5.265 -8.789 12.095 702 HA PHE 95 HA PHE 95 5.927 -11.199 10.601 703 HB2 PHE 95 HB2 PHE 95 3.706 -10.753 11.859 704 HB3 PHE 95 3HB PHE 95 3.293 -9.755 10.469 705 HD1 PHE 95 HD1 PHE 95 4.639 -13.161 11.194 706 HD2 PHE 95 HD2 PHE 95 2.100 -10.742 8.781 707 HE1 PHE 95 HE1 PHE 95 3.881 -15.167 9.986 708 HE2 PHE 95 HE2 PHE 95 1.337 -12.744 7.571 709 HZ PHE 95 HZ PHE 95 2.229 -14.959 8.172 710 H THR 96 H THR 96 6.730 -8.205 10.085 711 HA THR 96 HA THR 96 5.669 -7.325 7.686 712 HB THR 96 HB THR 96 8.592 -6.967 7.983 713 HG1 THR 96 HG1 THR 96 8.077 -5.433 9.765 714 HG21 THR 96 HG21 THR 96 6.812 -4.648 8.055 715 HG22 THR 96 HG22 THR 96 6.563 -5.685 6.650 716 HG23 THR 96 HG23 THR 96 8.159 -5.009 6.975 717 H GLN 97 H GLN 97 7.911 -9.912 8.291 718 HA GLN 97 HA GLN 97 9.191 -10.224 5.882 719 HB2 GLN 97 HB2 GLN 97 8.854 -11.755 8.179 720 HB3 GLN 97 HB3 GLN 97 8.232 -12.778 6.891 721 HG2 GLN 97 HG2 GLN 97 10.641 -11.669 5.952 722 HG3 GLN 97 HG3 GLN 97 10.935 -12.216 7.601 723 HE21 GLN 97 HE21 GLN 97 9.184 -14.373 7.686 724 HE22 GLN 97 HE22 GLN 97 9.763 -15.602 6.621 725 H ALA 98 H ALA 98 5.965 -11.418 6.766 726 HA ALA 98 HA ALA 98 5.255 -12.862 4.577 727 HB1 ALA 98 HB1 ALA 98 2.914 -11.874 4.934 728 HB2 ALA 98 HB2 ALA 98 3.667 -12.730 6.280 729 HB3 ALA 98 HB3 ALA 98 3.649 -10.967 6.256 730 H TYR 99 H TYR 99 5.475 -9.358 4.802 731 HA TYR 99 HA TYR 99 4.184 -8.608 2.472 732 HB2 TYR 99 HB2 TYR 99 4.991 -6.985 4.105 733 HB3 TYR 99 3HB TYR 99 6.659 -7.392 3.716 734 HD1 TYR 99 HD1 TYR 99 3.549 -5.968 2.259 735 HD2 TYR 99 HD2 TYR 99 7.786 -6.272 1.992 736 HE1 TYR 99 HE1 TYR 99 3.559 -4.232 0.517 737 HE2 TYR 99 HE2 TYR 99 7.806 -4.536 0.250 738 HH TYR 99 HH TYR 99 4.871 -3.346 -1.193 739 H ALA 100 H ALA 100 7.657 -9.311 2.874 740 HA ALA 100 HA ALA 100 8.411 -9.030 0.212 741 HB1 ALA 100 HB1 ALA 100 9.767 -11.171 1.715 742 HB2 ALA 100 HB2 ALA 100 10.435 -9.767 0.882 743 HB3 ALA 100 HB3 ALA 100 9.734 -9.586 2.490 744 H LYS 101 H LYS 101 6.830 -11.683 1.841 745 HA LYS 101 HA LYS 101 7.251 -13.590 -0.254 746 HB2 LYS 101 HB2 LYS 101 5.093 -13.717 1.845 747 HB3 LYS 101 HB3 LYS 101 5.866 -15.053 1.003 748 HG2 LYS 101 HG2 LYS 101 7.981 -13.822 2.237 749 HG3 LYS 101 HG3 LYS 101 6.677 -13.636 3.412 750 HD2 LYS 101 HD2 LYS 101 6.497 -15.882 3.772 751 HD3 LYS 101 HD3 LYS 101 7.013 -16.296 2.135 752 HE2 LYS 101 HE2 LYS 101 9.179 -15.007 3.440 753 HE3 LYS 101 HE3 LYS 101 8.548 -16.241 4.530 754 HZ1 LYS 101 HZ1 LYS 101 10.314 -16.757 2.629 755 HZ2 LYS 101 HZ2 LYS 101 8.895 -17.026 1.750 756 HZ3 LYS 101 HZ3 LYS 101 9.190 -17.901 3.168 757 H LEU 102 H LEU 102 4.434 -11.703 0.837 758 HA LEU 102 HA LEU 102 2.685 -12.554 -1.190 759 HB2 LEU 102 HB2 LEU 102 2.776 -10.303 0.738 760 HB3 LEU 102 3HB LEU 102 1.677 -10.153 -0.632 761 HG LEU 102 HG LEU 102 1.647 -12.367 1.418 762 HD11 LEU 102 HD11 LEU 102 -0.045 -11.296 2.500 763 HD12 LEU 102 HD12 LEU 102 -0.582 -10.440 1.055 764 HD13 LEU 102 HD13 LEU 102 0.852 -9.891 1.922 765 HD21 LEU 102 HD21 LEU 102 0.701 -12.375 -1.205 766 HD22 LEU 102 HD22 LEU 102 -0.720 -12.070 -0.203 767 HD23 LEU 102 HD23 LEU 102 0.274 -13.499 0.086 768 H MET 103 H MET 103 5.357 -10.438 -1.279 769 HA MET 103 HA MET 103 4.649 -8.618 -3.262 770 HB2 MET 103 HB2 MET 103 6.702 -8.322 -2.073 771 HB3 MET 103 HB3 MET 103 7.306 -9.886 -2.601 772 HG2 MET 103 HG2 MET 103 8.217 -8.982 -4.397 773 HG3 MET 103 HG3 MET 103 6.669 -8.296 -4.887 774 HE1 MET 103 HE1 MET 103 10.248 -5.986 -3.995 775 HE2 MET 103 HE2 MET 103 10.164 -7.505 -3.104 776 HE3 MET 103 HE3 MET 103 9.935 -7.495 -4.853 777 H ASN 104 H ASN 104 6.636 -11.534 -3.805 778 HA ASN 104 HA ASN 104 6.466 -11.542 -6.571 779 HB2 ASN 104 HB2 ASN 104 8.064 -12.945 -5.424 780 HB3 ASN 104 3HB ASN 104 6.771 -13.864 -4.658 781 HD21 ASN 104 HD21 ASN 104 5.439 -15.196 -5.995 782 HD22 ASN 104 HD22 ASN 104 6.062 -15.838 -7.473 783 H GLN 105 H GLN 105 4.168 -12.631 -4.194 784 HA GLN 105 HA GLN 105 2.579 -14.368 -5.611 785 HB2 GLN 105 HB2 GLN 105 2.372 -12.948 -3.215 786 HB3 GLN 105 HB3 GLN 105 0.945 -12.485 -4.133 787 HG2 GLN 105 HG2 GLN 105 1.750 -15.347 -3.712 788 HG3 GLN 105 HG3 GLN 105 0.703 -14.468 -2.598 789 HE21 GLN 105 HE21 GLN 105 -0.958 -13.086 -4.107 790 HE22 GLN 105 HE22 GLN 105 -1.879 -14.106 -5.154 791 H TYR 106 H TYR 106 2.363 -10.818 -5.576 792 HA TYR 106 HA TYR 106 0.919 -10.977 -8.136 793 HB2 TYR 106 HB2 TYR 106 -0.165 -8.752 -7.270 794 HB3 TYR 106 3HB TYR 106 -0.819 -10.306 -6.765 795 HD1 TYR 106 HD1 TYR 106 1.771 -7.839 -5.667 796 HD2 TYR 106 HD2 TYR 106 -1.270 -10.587 -4.522 797 HE1 TYR 106 HE1 TYR 106 2.087 -7.198 -3.313 798 HE2 TYR 106 HE2 TYR 106 -0.964 -9.953 -2.166 799 HH TYR 106 HH TYR 106 0.111 -8.642 -0.735 800 H ARG 107 H ARG 107 3.729 -10.660 -7.738 801 HA ARG 107 HA ARG 107 4.332 -7.856 -8.119 802 HB2 ARG 107 HB2 ARG 107 5.959 -9.074 -6.890 803 HB3 ARG 107 HB3 ARG 107 6.013 -10.356 -8.094 804 HG2 ARG 107 HG2 ARG 107 6.704 -7.781 -9.225 805 HG3 ARG 107 HG3 ARG 107 7.751 -8.223 -7.875 806 HD2 ARG 107 HD2 ARG 107 8.289 -10.327 -8.928 807 HD3 ARG 107 HD3 ARG 107 7.142 -10.006 -10.228 808 HE ARG 107 HE ARG 107 8.955 -7.905 -10.201 809 HH11 ARG 107 HH11 ARG 107 8.978 -11.343 -10.743 810 HH12 ARG 107 HH12 ARG 107 10.320 -11.294 -11.837 811 HH21 ARG 107 HH21 ARG 107 10.724 -7.826 -11.640 812 HH22 ARG 107 HH22 ARG 107 11.313 -9.293 -12.345 813 H GLY 108 H GLY 108 4.507 -6.831 -10.012 814 HA2 GLY 108 HA1 GLY 108 5.565 -7.583 -12.370 815 HA3 GLY 108 HA2 GLY 108 3.962 -8.299 -12.449 816 H ILE 109 H ILE 109 3.011 -5.939 -10.751 817 HA ILE 109 HA ILE 109 2.677 -4.103 -13.021 818 HB ILE 109 HB ILE 109 0.748 -3.211 -11.581 819 HG12 ILE 109 HG12 ILE 109 1.734 -4.732 -9.625 820 HG13 ILE 109 HG13 ILE 109 0.015 -4.371 -9.747 821 HG21 ILE 109 HG21 ILE 109 -0.698 -5.226 -12.270 822 HG22 ILE 109 HG22 ILE 109 0.154 -4.335 -13.529 823 HG23 ILE 109 HG23 ILE 109 0.794 -5.874 -12.952 824 HD11 ILE 109 HD11 ILE 109 0.553 -6.752 -9.280 825 HD12 ILE 109 HD12 ILE 109 -0.430 -6.498 -10.722 826 HD13 ILE 109 HD13 ILE 109 1.292 -6.846 -10.878 827 H TYR 110 H TYR 110 3.626 -4.291 -9.652 828 HA TYR 110 HA TYR 110 4.311 -1.429 -9.705 829 HB2 TYR 110 HB2 TYR 110 4.170 -1.417 -7.321 830 HB3 TYR 110 3HB TYR 110 2.733 -2.242 -7.914 831 HD1 TYR 110 HD1 TYR 110 2.703 -4.781 -7.868 832 HD2 TYR 110 HD2 TYR 110 5.630 -2.476 -5.815 833 HE1 TYR 110 HE1 TYR 110 3.223 -6.719 -6.445 834 HE2 TYR 110 HE2 TYR 110 6.160 -4.407 -4.388 835 HH TYR 110 HH TYR 110 4.757 -6.572 -3.627 836 H SER 111 H SER 111 6.222 -1.020 -8.057 837 HA SER 111 HA SER 111 8.338 -3.001 -8.562 838 HB2 SER 111 HB2 SER 111 9.742 -0.671 -8.610 839 HB3 SER 111 3HB SER 111 9.157 -1.498 -10.054 840 HG SER 111 HG SER 111 7.318 -0.159 -9.996 841 H PHE 112 H PHE 112 10.017 -3.074 -7.022 842 HA PHE 112 HA PHE 112 10.235 -1.368 -4.800 843 HB2 PHE 112 HB2 PHE 112 8.216 -3.466 -4.593 844 HB3 PHE 112 3HB PHE 112 9.423 -3.560 -3.314 845 HD1 PHE 112 HD1 PHE 112 10.057 -0.918 -2.580 846 HD2 PHE 112 HD2 PHE 112 6.300 -2.460 -3.854 847 HE1 PHE 112 HE1 PHE 112 8.909 0.886 -1.363 848 HE2 PHE 112 HE2 PHE 112 5.146 -0.658 -2.640 849 HZ PHE 112 HZ PHE 112 6.450 1.017 -1.392 850 H GLU 113 H GLU 113 11.964 -1.918 -3.453 851 HA GLU 113 HA GLU 113 13.829 -3.778 -4.621 852 HB2 GLU 113 HB2 GLU 113 14.101 -1.423 -3.241 853 HB3 GLU 113 HB3 GLU 113 14.533 -2.612 -2.021 854 HG2 GLU 113 HG2 GLU 113 16.577 -2.491 -2.893 855 HG3 GLU 113 HG3 GLU 113 15.931 -3.497 -4.188 856 H LYS 114 H LYS 114 15.227 -4.809 -2.547 857 HA LYS 114 HA LYS 114 13.602 -7.014 -1.758 858 HB2 LYS 114 HB2 LYS 114 15.967 -7.322 -2.234 859 HB3 LYS 114 HB3 LYS 114 16.400 -6.218 -0.936 860 HG2 LYS 114 HG2 LYS 114 16.119 -7.774 0.662 861 HG3 LYS 114 HG3 LYS 114 14.728 -8.504 -0.143 862 HD2 LYS 114 HD2 LYS 114 16.063 -9.830 -1.513 863 HD3 LYS 114 HD3 LYS 114 17.486 -8.813 -1.274 864 HE2 LYS 114 HE2 LYS 114 18.049 -10.549 0.089 865 HE3 LYS 114 HE3 LYS 114 17.139 -9.573 1.242 866 HZ1 LYS 114 HZ1 LYS 114 15.881 -11.720 -0.363 867 HZ2 LYS 114 HZ2 LYS 114 15.264 -10.949 1.009 868 HZ3 LYS 114 HZ3 LYS 114 16.574 -12.010 1.154 869 H VAL 115 H VAL 115 12.496 -7.350 0.069 870 HA VAL 115 HA VAL 115 12.913 -5.481 2.311 871 HB VAL 115 HB VAL 115 10.320 -6.225 2.642 872 HG11 VAL 115 HG11 VAL 115 9.787 -4.002 2.192 873 HG12 VAL 115 HG12 VAL 115 11.499 -3.936 2.612 874 HG13 VAL 115 HG13 VAL 115 11.001 -3.867 0.921 875 HG21 VAL 115 HG21 VAL 115 10.702 -5.865 -0.328 876 HG22 VAL 115 HG22 VAL 115 10.311 -7.390 0.468 877 HG23 VAL 115 HG23 VAL 115 9.166 -6.048 0.518 878 H LYS 116 H LYS 116 13.375 -6.418 4.188 879 HA LYS 116 HA LYS 116 13.010 -9.316 4.433 880 HB2 LYS 116 HB2 LYS 116 14.834 -7.335 5.762 881 HB3 LYS 116 HB3 LYS 116 14.536 -8.907 6.494 882 HG2 LYS 116 HG2 LYS 116 15.387 -10.021 4.519 883 HG3 LYS 116 HG3 LYS 116 15.619 -8.464 3.719 884 HD2 LYS 116 HD2 LYS 116 16.983 -8.106 6.058 885 HD3 LYS 116 HD3 LYS 116 17.266 -9.818 5.732 886 HE2 LYS 116 HE2 LYS 116 17.563 -7.982 3.438 887 HE3 LYS 116 HE3 LYS 116 18.770 -7.832 4.713 888 HZ1 LYS 116 HZ1 LYS 116 19.309 -10.143 4.482 889 HZ2 LYS 116 HZ2 LYS 116 19.404 -9.414 2.959 890 HZ3 LYS 116 HZ3 LYS 116 18.071 -10.377 3.353 891 H ALA 117 H ALA 117 13.224 -6.909 7.012 892 HA ALA 117 HA ALA 117 10.528 -6.827 7.739 893 HB1 ALA 117 HB1 ALA 117 10.133 -8.551 9.139 894 HB2 ALA 117 HB2 ALA 117 11.389 -9.337 8.180 895 HB3 ALA 117 HB3 ALA 117 11.796 -8.596 9.728 896 H HIS 118 H HIS 118 10.523 -4.913 8.704 897 HA HIS 118 HA HIS 118 11.754 -4.386 11.155 898 HB2 HIS 118 HB2 HIS 118 13.867 -4.307 10.038 899 HB3 HIS 118 3HB HIS 118 13.218 -3.299 8.749 900 HD1 HIS 118 HD1 HIS 118 14.366 -1.118 8.980 901 HD2 HIS 118 HD2 HIS 118 13.120 -2.612 12.651 902 HE1 HIS 118 HE1 HIS 118 14.901 0.680 10.654 903 H SER 119 H SER 119 10.988 -2.511 12.069 904 HA SER 119 HA SER 119 9.010 -1.062 10.464 905 HB2 SER 119 HB2 SER 119 9.112 -0.461 13.332 906 HB3 SER 119 3HB SER 119 7.741 -0.929 12.326 907 HG SER 119 HG SER 119 8.438 -3.091 12.502 908 H GLY 120 H GLY 120 8.764 1.269 11.870 909 HA2 GLY 120 HA1 GLY 120 11.332 2.545 12.192 910 HA3 GLY 120 HA2 GLY 120 10.491 3.020 10.725 911 H ASN 121 H ASN 121 10.107 5.130 11.279 912 HA ASN 121 HA ASN 121 8.313 5.543 13.580 913 HB2 ASN 121 HB2 ASN 121 9.603 7.985 12.810 914 HB3 ASN 121 3HB ASN 121 9.679 7.137 14.352 915 HD21 ASN 121 HD21 ASN 121 11.018 7.035 11.076 916 HD22 ASN 121 HD22 ASN 121 12.600 6.532 11.552 917 H GLU 122 H GLU 122 9.302 7.651 10.900 918 HA GLU 122 HA GLU 122 6.456 7.990 10.237 919 HB2 GLU 122 HB2 GLU 122 7.081 10.160 9.288 920 HB3 GLU 122 HB3 GLU 122 7.557 10.043 10.976 921 HG2 GLU 122 HG2 GLU 122 9.819 9.198 9.805 922 HG3 GLU 122 HG3 GLU 122 9.209 10.277 8.551 923 H PHE 123 H PHE 123 8.768 6.097 9.267 924 HA PHE 123 HA PHE 123 9.398 6.530 6.632 925 HB2 PHE 123 HB2 PHE 123 9.579 4.092 6.397 926 HB3 PHE 123 3HB PHE 123 10.261 4.636 7.926 927 HD1 PHE 123 HD1 PHE 123 8.832 4.415 10.013 928 HD2 PHE 123 HD2 PHE 123 7.913 2.465 6.343 929 HE1 PHE 123 HE1 PHE 123 7.394 2.826 11.222 930 HE2 PHE 123 HE2 PHE 123 6.473 0.874 7.546 931 HZ PHE 123 HZ PHE 123 6.211 1.053 9.988 932 H ASN 124 H ASN 124 6.440 5.052 7.917 933 HA ASN 124 HA ASN 124 5.286 4.675 5.318 934 HB2 ASN 124 HB2 ASN 124 3.467 3.706 6.416 935 HB3 ASN 124 3HB ASN 124 4.808 3.358 7.503 936 HD21 ASN 124 HD21 ASN 124 4.689 4.022 9.546 937 HD22 ASN 124 HD22 ASN 124 3.458 5.050 10.188 938 H ASP 125 H ASP 125 5.386 7.222 7.640 939 HA ASP 125 HA ASP 125 3.040 8.601 6.791 940 HB2 ASP 125 HB2 ASP 125 5.447 9.373 8.422 941 HB3 ASP 125 3HB ASP 125 4.241 10.571 7.964 942 H TYR 126 H TYR 126 6.248 8.345 5.578 943 HA TYR 126 HA TYR 126 6.645 10.745 4.277 944 HB2 TYR 126 HB2 TYR 126 8.439 9.238 4.210 945 HB3 TYR 126 3HB TYR 126 7.438 7.925 3.602 946 HD1 TYR 126 HD1 TYR 126 6.658 7.989 1.217 947 HD2 TYR 126 HD2 TYR 126 9.557 10.710 2.731 948 HE1 TYR 126 HE1 TYR 126 7.359 8.512 -1.082 949 HE2 TYR 126 HE2 TYR 126 10.265 11.241 0.437 950 HH TYR 126 HH TYR 126 10.207 10.200 -1.796 951 H VAL 127 H VAL 127 4.844 7.906 3.143 952 HA VAL 127 HA VAL 127 4.214 8.784 0.582 953 HB VAL 127 HB VAL 127 2.326 7.247 0.638 954 HG11 VAL 127 HG11 VAL 127 4.764 6.194 2.065 955 HG12 VAL 127 HG12 VAL 127 3.532 5.194 1.293 956 HG13 VAL 127 HG13 VAL 127 4.519 6.285 0.321 957 HG21 VAL 127 HG21 VAL 127 1.154 6.950 2.500 958 HG22 VAL 127 HG22 VAL 127 2.530 6.114 3.220 959 HG23 VAL 127 HG23 VAL 127 2.353 7.856 3.425 960 H ASP 128 H ASP 128 3.022 9.844 3.638 961 HA ASP 128 HA ASP 128 0.537 10.909 2.821 962 HB2 ASP 128 HB2 ASP 128 2.290 11.940 5.056 963 HB3 ASP 128 3HB ASP 128 0.544 12.113 4.905 964 H MET 129 H MET 129 3.755 12.380 3.136 965 HA MET 129 HA MET 129 2.903 14.943 2.214 966 HB2 MET 129 HB2 MET 129 4.968 14.342 3.649 967 HB3 MET 129 HB3 MET 129 5.743 13.963 2.116 968 HG2 MET 129 HG2 MET 129 5.385 16.229 1.343 969 HG3 MET 129 HG3 MET 129 4.528 16.621 2.832 970 HE1 MET 129 HE1 MET 129 7.882 14.323 3.050 971 HE2 MET 129 HE2 MET 129 7.707 15.059 1.456 972 HE3 MET 129 HE3 MET 129 8.994 15.593 2.538 973 H LYS 130 H LYS 130 4.350 12.111 0.709 974 HA LYS 130 HA LYS 130 4.873 13.329 -1.805 975 HB2 LYS 130 HB2 LYS 130 5.377 10.847 -0.602 976 HB3 LYS 130 HB3 LYS 130 4.373 10.487 -2.000 977 HG2 LYS 130 HG2 LYS 130 6.803 12.231 -2.213 978 HG3 LYS 130 HG3 LYS 130 6.900 10.471 -2.318 979 HD2 LYS 130 HD2 LYS 130 6.275 10.544 -4.451 980 HD3 LYS 130 HD3 LYS 130 4.785 11.378 -4.005 981 HE2 LYS 130 HE2 LYS 130 6.145 12.629 -5.647 982 HE3 LYS 130 HE3 LYS 130 5.883 13.517 -4.148 983 HZ1 LYS 130 HZ1 LYS 130 8.268 13.207 -5.299 984 HZ2 LYS 130 HZ2 LYS 130 8.285 11.898 -4.228 985 HZ3 LYS 130 HZ3 LYS 130 8.056 13.469 -3.642 986 H ALA 131 H ALA 131 2.326 11.050 -0.781 987 HA ALA 131 HA ALA 131 0.839 11.032 -3.116 988 HB1 ALA 131 HB1 ALA 131 0.310 9.455 -1.437 989 HB2 ALA 131 HB2 ALA 131 -0.011 10.718 -0.248 990 HB3 ALA 131 HB3 ALA 131 -1.112 10.485 -1.606 991 H LYS 132 H LYS 132 0.918 13.408 -0.539 992 HA LYS 132 HA LYS 132 -1.392 14.838 -1.016 993 HB2 LYS 132 HB2 LYS 132 1.060 15.254 0.381 994 HB3 LYS 132 HB3 LYS 132 0.694 16.715 -0.528 995 HG2 LYS 132 HG2 LYS 132 -1.720 16.220 0.546 996 HG3 LYS 132 HG3 LYS 132 -0.677 15.530 1.792 997 HD2 LYS 132 HD2 LYS 132 0.608 17.695 1.758 998 HD3 LYS 132 HD3 LYS 132 -0.666 18.350 0.727 999 HE2 LYS 132 HE2 LYS 132 -2.234 18.310 2.416 1000 HE3 LYS 132 HE3 LYS 132 -1.400 17.035 3.303 1001 HZ1 LYS 132 HZ1 LYS 132 0.000 19.576 3.020 1002 HZ2 LYS 132 HZ2 LYS 132 -0.047 18.507 4.329 1003 HZ3 LYS 132 HZ3 LYS 132 -1.341 19.561 4.052 1004 H SER 133 H SER 133 1.598 14.806 -2.836 1005 HA SER 133 HA SER 133 1.096 17.111 -4.403 1006 HB2 SER 133 HB2 SER 133 2.727 14.735 -5.298 1007 HB3 SER 133 3HB SER 133 2.940 16.431 -5.736 1008 HG SER 133 HG SER 133 3.527 15.143 -3.294 1009 H ALA 134 H ALA 134 0.275 13.710 -4.775 1010 HA ALA 134 HA ALA 134 -0.543 13.651 -7.416 1011 HB1 ALA 134 HB1 ALA 134 -0.402 11.641 -6.095 1012 HB2 ALA 134 HB2 ALA 134 -1.717 12.191 -5.055 1013 HB3 ALA 134 HB3 ALA 134 -2.035 11.798 -6.744 1014 H LEU 135 H LEU 135 -2.337 14.714 -4.558 1015 HA LEU 135 HA LEU 135 -4.758 15.217 -6.004 1016 HB2 LEU 135 HB2 LEU 135 -4.132 16.500 -3.383 1017 HB3 LEU 135 3HB LEU 135 -5.669 15.890 -3.991 1018 HG LEU 135 HG LEU 135 -3.362 14.270 -2.922 1019 HD11 LEU 135 HD11 LEU 135 -5.355 15.545 -1.565 1020 HD12 LEU 135 HD12 LEU 135 -4.494 14.114 -1.000 1021 HD13 LEU 135 HD13 LEU 135 -6.048 13.943 -1.815 1022 HD21 LEU 135 HD21 LEU 135 -4.231 12.995 -4.708 1023 HD22 LEU 135 HD22 LEU 135 -5.894 13.425 -4.307 1024 HD23 LEU 135 HD23 LEU 135 -4.980 12.352 -3.247 1025 H GLY 136 H GLY 136 -2.125 17.230 -4.734 1026 HA2 GLY 136 HA1 GLY 136 -1.354 19.114 -6.042 1027 HA3 GLY 136 HA2 GLY 136 -3.012 19.357 -6.573 1028 H ILE 137 H ILE 137 -1.794 18.802 -3.292 1029 HA ILE 137 HA ILE 137 -3.387 20.878 -2.202 1030 HB ILE 137 HB ILE 137 -0.977 19.629 -0.888 1031 HG12 ILE 137 HG12 ILE 137 -2.384 17.831 -1.714 1032 HG13 ILE 137 HG13 ILE 137 -2.564 17.956 0.032 1033 HG21 ILE 137 HG21 ILE 137 -2.612 19.987 1.120 1034 HG22 ILE 137 HG22 ILE 137 -1.650 21.329 0.505 1035 HG23 ILE 137 HG23 ILE 137 -3.346 21.179 0.047 1036 HD11 ILE 137 HD11 ILE 137 -4.568 18.007 -1.953 1037 HD12 ILE 137 HD12 ILE 137 -4.749 18.147 -0.205 1038 HD13 ILE 137 HD13 ILE 137 -4.534 19.595 -1.188 1039 H ARG 138 H ARG 138 -2.736 22.848 -1.245 1040 HA ARG 138 HA ARG 138 -0.946 24.381 -2.773 1041 HB2 ARG 138 HB2 ARG 138 -1.262 26.110 -1.009 1042 HB3 ARG 138 HB3 ARG 138 -2.771 25.443 -1.615 1043 HG2 ARG 138 HG2 ARG 138 -3.170 25.469 0.637 1044 HG3 ARG 138 HG3 ARG 138 -2.544 23.832 0.427 1045 HD2 ARG 138 HD2 ARG 138 -0.610 24.286 1.524 1046 HD3 ARG 138 HD3 ARG 138 -0.559 25.956 0.964 1047 HE ARG 138 HE ARG 138 -1.762 24.971 3.384 1048 HH11 ARG 138 HH11 ARG 138 -1.730 27.535 1.029 1049 HH12 ARG 138 HH12 ARG 138 -2.393 28.715 2.112 1050 HH21 ARG 138 HH21 ARG 138 -2.636 26.515 4.819 1051 HH22 ARG 138 HH22 ARG 138 -2.906 28.134 4.268 1052 H ASP 139 H ASP 139 0.655 25.858 -1.260 1053 HA ASP 139 HA ASP 139 2.181 24.596 0.710 1054 HB2 ASP 139 HB2 ASP 139 2.626 23.392 -1.738 1055 HB3 ASP 139 3HB ASP 139 3.952 24.546 -1.615 1056 H LEU 140 H LEU 140 4.108 25.791 1.273 1057 HA LEU 140 HA LEU 140 4.915 28.108 -0.158 1058 HB2 LEU 140 HB2 LEU 140 2.761 28.358 1.811 1059 HB3 LEU 140 3HB LEU 140 4.112 29.458 2.081 1060 HG LEU 140 HG LEU 140 3.171 29.412 -0.689 1061 HD11 LEU 140 HD11 LEU 140 1.222 30.984 0.160 1062 HD12 LEU 140 HD12 LEU 140 1.282 29.901 1.549 1063 HD13 LEU 140 HD13 LEU 140 0.988 29.251 -0.063 1064 HD21 LEU 140 HD21 LEU 140 4.743 31.026 0.691 1065 HD22 LEU 140 HD22 LEU 140 3.211 31.819 1.055 1066 HD23 LEU 140 HD23 LEU 140 3.727 31.624 -0.620 1067 H GLU 141 H GLU 141 6.901 27.018 0.265 1068 HA GLU 141 HA GLU 141 8.357 28.044 2.419 1069 HB2 GLU 141 HB2 GLU 141 6.880 25.646 3.034 1070 HB3 GLU 141 HB3 GLU 141 8.607 25.334 3.137 1071 HG2 GLU 141 HG2 GLU 141 8.416 27.698 4.457 1072 HG3 GLU 141 HG3 GLU 141 6.874 26.944 4.861 1073 H HIS 142 H HIS 142 8.329 24.825 0.881 1074 HA HIS 142 HA HIS 142 9.822 23.770 -0.472 1075 HB2 HIS 142 HB2 HIS 142 9.616 26.359 -1.480 1076 HB3 HIS 142 3HB HIS 142 11.350 26.079 -1.364 1077 HD1 HIS 142 HD1 HIS 142 8.972 25.955 -3.828 1078 HD2 HIS 142 HD2 HIS 142 11.684 23.120 -2.461 1079 HE1 HIS 142 HE1 HIS 142 9.246 24.320 -5.719 1080 H HIS 143 H HIS 143 11.183 22.635 0.773 1081 HA HIS 143 HA HIS 143 13.844 23.460 1.142 1082 HB2 HIS 143 HB2 HIS 143 12.444 24.760 2.960 1083 HB3 HIS 143 3HB HIS 143 12.509 23.218 3.809 1084 HD1 HIS 143 HD1 HIS 143 14.703 22.578 4.907 1085 HD2 HIS 143 HD2 HIS 143 14.974 26.029 2.610 1086 HE1 HIS 143 HE1 HIS 143 16.951 23.569 5.445 1087 H HIS 144 H HIS 144 15.173 21.795 1.924 1088 HA HIS 144 HA HIS 144 14.270 19.449 3.169 1089 HB2 HIS 144 HB2 HIS 144 13.307 19.407 0.685 1090 HB3 HIS 144 3HB HIS 144 14.919 18.787 0.338 1091 HD1 HIS 144 HD1 HIS 144 11.675 17.858 1.867 1092 HD2 HIS 144 HD2 HIS 144 15.490 16.255 1.495 1093 HE1 HIS 144 HE1 HIS 144 11.455 15.438 2.514 1094 H HIS 145 H HIS 145 15.954 18.054 3.679 1095 HA HIS 145 HA HIS 145 18.467 18.018 2.420 1096 HB2 HIS 145 HB2 HIS 145 18.335 20.361 3.589 1097 HB3 HIS 145 3HB HIS 145 18.670 19.438 5.052 1098 HD1 HIS 145 HD1 HIS 145 20.999 20.472 5.351 1099 HD2 HIS 145 HD2 HIS 145 20.497 18.499 1.731 1100 HE1 HIS 145 HE1 HIS 145 23.307 20.263 4.374 1101 H HIS 146 H HIS 146 20.142 16.902 3.820 1102 HA HIS 146 HA HIS 146 19.412 15.581 6.198 1103 HB2 HIS 146 HB2 HIS 146 17.881 14.413 4.583 1104 HB3 HIS 146 3HB HIS 146 19.311 13.808 3.752 1105 HD1 HIS 146 HD1 HIS 146 18.774 13.945 7.501 1106 HD2 HIS 146 HD2 HIS 146 19.203 11.170 4.438 1107 HE1 HIS 146 HE1 HIS 146 18.915 11.705 8.637 1108 H HIS 147 H HIS 147 21.382 15.675 7.063 1109 HA HIS 147 HA HIS 147 23.458 13.982 6.269 1110 HB2 HIS 147 HB2 HIS 147 23.383 16.134 4.584 1111 HB3 HIS 147 3HB HIS 147 24.517 16.691 5.812 1112 HD1 HIS 147 HD1 HIS 147 26.614 15.025 6.232 1113 HD2 HIS 147 HD2 HIS 147 24.464 14.472 2.721 1114 HE1 HIS 147 HE1 HIS 147 28.111 13.670 4.734 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -2.913 0.503 -19.816 2 HA MET 1 HA MET 1 -0.005 0.258 -19.746 3 HB2 MET 1 HB2 MET 1 -1.460 0.779 -21.845 4 HB3 MET 1 HB3 MET 1 -1.490 2.418 -21.206 5 HG2 MET 1 HG2 MET 1 0.658 2.812 -21.735 6 HG3 MET 1 HG3 MET 1 1.164 1.165 -21.362 7 HE1 MET 1 HE1 MET 1 1.431 -0.689 -22.968 8 HE2 MET 1 HE2 MET 1 1.755 -0.319 -24.661 9 HE3 MET 1 HE3 MET 1 2.654 0.509 -23.390 10 H ASP 2 H ASP 2 -1.270 0.941 -17.308 11 HA ASP 2 HA ASP 2 -1.049 2.389 -15.567 12 HB2 ASP 2 HB2 ASP 2 1.325 2.538 -16.932 13 HB3 ASP 2 3HB ASP 2 0.826 4.227 -16.884 14 H ASP 3 H ASP 3 -1.082 4.870 -15.039 15 HA ASP 3 HA ASP 3 -2.694 6.314 -17.017 16 HB2 ASP 3 HB2 ASP 3 -3.473 5.789 -14.146 17 HB3 ASP 3 3HB ASP 3 -4.219 7.041 -15.136 18 H ARG 4 H ARG 4 -3.255 8.590 -15.776 19 HA ARG 4 HA ARG 4 -0.657 9.812 -15.477 20 HB2 ARG 4 HB2 ARG 4 -1.980 11.239 -16.681 21 HB3 ARG 4 HB3 ARG 4 -3.447 10.763 -15.837 22 HG2 ARG 4 HG2 ARG 4 -3.016 12.190 -14.038 23 HG3 ARG 4 HG3 ARG 4 -1.320 12.382 -14.485 24 HD2 ARG 4 HD2 ARG 4 -1.917 13.678 -16.415 25 HD3 ARG 4 HD3 ARG 4 -3.631 13.354 -16.155 26 HE ARG 4 HE ARG 4 -3.670 15.081 -14.668 27 HH11 ARG 4 HH11 ARG 4 -0.377 14.013 -15.042 28 HH12 ARG 4 HH12 ARG 4 0.281 15.277 -14.058 29 HH21 ARG 4 HH21 ARG 4 -2.814 16.750 -13.371 30 HH22 ARG 4 HH22 ARG 4 -1.105 16.833 -13.107 31 H THR 5 H THR 5 0.348 9.722 -13.581 32 HA THR 5 HA THR 5 -1.018 10.648 -11.197 33 HB THR 5 HB THR 5 -0.153 8.679 -9.857 34 HG1 THR 5 HG1 THR 5 0.027 7.527 -12.462 35 HG21 THR 5 HG21 THR 5 -2.210 7.845 -11.886 36 HG22 THR 5 HG22 THR 5 -2.553 9.057 -10.652 37 HG23 THR 5 HG23 THR 5 -2.113 7.416 -10.178 38 H GLU 6 H GLU 6 1.897 8.665 -11.391 39 HA GLU 6 HA GLU 6 4.089 9.112 -10.978 40 HB2 GLU 6 HB2 GLU 6 3.552 10.887 -12.798 41 HB3 GLU 6 HB3 GLU 6 3.588 12.032 -11.465 42 HG2 GLU 6 HG2 GLU 6 5.902 10.433 -11.250 43 HG3 GLU 6 HG3 GLU 6 5.755 10.925 -12.937 44 H TYR 7 H TYR 7 3.025 8.667 -8.743 45 HA TYR 7 HA TYR 7 4.340 10.231 -6.833 46 HB2 TYR 7 HB2 TYR 7 2.317 11.198 -5.682 47 HB3 TYR 7 3HB TYR 7 2.739 11.966 -7.208 48 HD1 TYR 7 HD1 TYR 7 0.578 9.186 -5.943 49 HD2 TYR 7 HD2 TYR 7 1.027 12.407 -8.688 50 HE1 TYR 7 HE1 TYR 7 -1.707 8.798 -6.765 51 HE2 TYR 7 HE2 TYR 7 -1.258 12.029 -9.516 52 HH TYR 7 HH TYR 7 -3.490 10.048 -7.905 53 H ASP 8 H ASP 8 4.109 9.417 -4.703 54 HA ASP 8 HA ASP 8 3.616 6.664 -4.535 55 HB2 ASP 8 HB2 ASP 8 5.130 7.649 -2.976 56 HB3 ASP 8 3HB ASP 8 3.908 8.781 -2.404 57 H VAL 9 H VAL 9 2.015 5.509 -3.332 58 HA VAL 9 HA VAL 9 -0.632 6.686 -3.626 59 HB VAL 9 HB VAL 9 0.223 3.874 -2.929 60 HG11 VAL 9 HG11 VAL 9 -2.537 4.993 -3.405 61 HG12 VAL 9 HG12 VAL 9 -2.146 3.279 -3.258 62 HG13 VAL 9 HG13 VAL 9 -1.908 4.361 -1.885 63 HG21 VAL 9 HG21 VAL 9 -0.567 3.324 -5.168 64 HG22 VAL 9 HG22 VAL 9 -0.987 5.013 -5.449 65 HG23 VAL 9 HG23 VAL 9 0.700 4.548 -5.238 66 H TYR 10 H TYR 10 -2.119 6.922 -1.971 67 HA TYR 10 HA TYR 10 -1.060 7.550 0.588 68 HB2 TYR 10 HB2 TYR 10 -2.961 8.777 -0.252 69 HB3 TYR 10 3HB TYR 10 -3.910 7.302 -0.391 70 HD1 TYR 10 HD1 TYR 10 -1.812 8.693 2.372 71 HD2 TYR 10 HD2 TYR 10 -5.660 7.386 1.113 72 HE1 TYR 10 HE1 TYR 10 -2.666 9.033 4.653 73 HE2 TYR 10 HE2 TYR 10 -6.526 7.723 3.390 74 HH TYR 10 HH TYR 10 -5.625 9.411 5.470 75 H THR 11 H THR 11 -0.063 5.489 1.103 76 HA THR 11 HA THR 11 -1.959 3.712 2.464 77 HB THR 11 HB THR 11 -0.727 1.718 1.735 78 HG1 THR 11 HG1 THR 11 0.645 3.441 -0.072 79 HG21 THR 11 HG21 THR 11 -1.233 2.757 -0.920 80 HG22 THR 11 HG22 THR 11 -2.502 3.231 0.210 81 HG23 THR 11 HG23 THR 11 -2.108 1.526 -0.010 82 H ASP 12 H ASP 12 -0.671 2.100 3.882 83 HA ASP 12 HA ASP 12 0.669 1.783 5.694 84 HB2 ASP 12 HB2 ASP 12 2.725 3.638 4.545 85 HB3 ASP 12 3HB ASP 12 2.952 2.127 5.424 86 H GLY 13 H GLY 13 -0.385 2.749 7.352 87 HA2 GLY 13 HA1 GLY 13 0.358 4.489 9.063 88 HA3 GLY 13 HA2 GLY 13 0.076 5.635 7.761 89 H SER 14 H SER 14 -1.399 3.520 10.103 90 HA SER 14 HA SER 14 -3.688 5.095 10.404 91 HB2 SER 14 HB2 SER 14 -3.892 3.675 8.070 92 HB3 SER 14 3HB SER 14 -4.695 2.600 9.215 93 HG SER 14 HG SER 14 -6.278 3.988 9.418 94 H TYR 15 H TYR 15 -4.632 4.604 12.298 95 HA TYR 15 HA TYR 15 -5.023 2.046 13.354 96 HB2 TYR 15 HB2 TYR 15 -3.306 2.201 15.232 97 HB3 TYR 15 3HB TYR 15 -2.691 1.769 13.641 98 HD1 TYR 15 HD1 TYR 15 -2.943 4.502 16.111 99 HD2 TYR 15 HD2 TYR 15 -1.130 3.161 12.504 100 HE1 TYR 15 HE1 TYR 15 -1.341 6.363 16.233 101 HE2 TYR 15 HE2 TYR 15 0.480 5.017 12.616 102 HH TYR 15 HH TYR 15 0.095 7.661 14.670 103 H VAL 16 H VAL 16 -6.255 2.103 15.201 104 HA VAL 16 HA VAL 16 -6.559 4.661 16.593 105 HB VAL 16 HB VAL 16 -8.333 4.825 15.035 106 HG11 VAL 16 HG11 VAL 16 -8.321 2.521 14.238 107 HG12 VAL 16 HG12 VAL 16 -9.073 1.987 15.743 108 HG13 VAL 16 HG13 VAL 16 -9.959 3.039 14.639 109 HG21 VAL 16 HG21 VAL 16 -10.302 4.790 16.433 110 HG22 VAL 16 HG22 VAL 16 -9.527 3.670 17.554 111 HG23 VAL 16 HG23 VAL 16 -8.916 5.316 17.388 112 H ASN 17 H ASN 17 -6.455 4.347 18.711 113 HA ASN 17 HA ASN 17 -6.559 3.383 20.768 114 HB2 ASN 17 HB2 ASN 17 -8.902 3.170 20.556 115 HB3 ASN 17 3HB ASN 17 -8.760 1.883 19.362 116 HD21 ASN 17 HD21 ASN 17 -10.122 0.560 20.579 117 HD22 ASN 17 HD22 ASN 17 -9.577 -0.227 22.017 118 H GLY 18 H GLY 18 -7.376 0.429 19.003 119 HA2 GLY 18 HA1 GLY 18 -4.656 -0.579 19.308 120 HA3 GLY 18 HA2 GLY 18 -5.904 -1.412 20.222 121 H GLN 19 H GLN 19 -6.874 -0.086 17.215 122 HA GLN 19 HA GLN 19 -6.984 -2.795 16.089 123 HB2 GLN 19 HB2 GLN 19 -8.800 -0.535 16.099 124 HB3 GLN 19 HB3 GLN 19 -8.493 -1.100 14.462 125 HG2 GLN 19 HG2 GLN 19 -8.986 -3.444 15.440 126 HG3 GLN 19 HG3 GLN 19 -9.744 -2.546 16.755 127 HE21 GLN 19 HE21 GLN 19 -10.885 -0.457 15.446 128 HE22 GLN 19 HE22 GLN 19 -12.110 -1.028 14.370 129 H TYR 20 H TYR 20 -7.000 -2.701 13.557 130 HA TYR 20 HA TYR 20 -4.897 -0.882 12.614 131 HB2 TYR 20 HB2 TYR 20 -3.693 -2.662 11.546 132 HB3 TYR 20 3HB TYR 20 -3.923 -3.109 13.233 133 HD1 TYR 20 HD1 TYR 20 -5.814 -4.725 13.790 134 HD2 TYR 20 HD2 TYR 20 -4.423 -4.074 9.823 135 HE1 TYR 20 HE1 TYR 20 -6.832 -6.853 13.092 136 HE2 TYR 20 HE2 TYR 20 -5.438 -6.199 9.113 137 HH TYR 20 HH TYR 20 -7.481 -7.668 10.050 138 H ALA 21 H ALA 21 -5.224 -0.067 10.624 139 HA ALA 21 HA ALA 21 -7.259 -1.315 8.911 140 HB1 ALA 21 HB1 ALA 21 -7.229 1.624 8.871 141 HB2 ALA 21 HB2 ALA 21 -8.585 0.498 8.807 142 HB3 ALA 21 HB3 ALA 21 -7.841 0.896 10.356 143 H TRP 22 H TRP 22 -7.192 -0.429 6.655 144 HA TRP 22 HA TRP 22 -4.600 0.656 5.866 145 HB2 TRP 22 HB2 TRP 22 -4.321 -1.099 4.129 146 HB3 TRP 22 3HB TRP 22 -4.228 -1.736 5.768 147 HD1 TRP 22 HD1 TRP 22 -6.117 -2.113 2.551 148 HE1 TRP 22 HE1 TRP 22 -7.927 -3.923 2.812 149 HE3 TRP 22 HE3 TRP 22 -5.927 -2.722 7.623 150 HZ2 TRP 22 HZ2 TRP 22 -9.118 -5.413 4.894 151 HZ3 TRP 22 HZ3 TRP 22 -7.435 -4.360 8.671 152 HH2 TRP 22 HH2 TRP 22 -8.998 -5.675 7.333 153 H ALA 23 H ALA 23 -4.781 2.091 4.260 154 HA ALA 23 HA ALA 23 -7.222 2.040 2.610 155 HB1 ALA 23 HB1 ALA 23 -6.745 3.916 4.534 156 HB2 ALA 23 HB2 ALA 23 -6.111 4.703 3.087 157 HB3 ALA 23 HB3 ALA 23 -7.783 4.144 3.127 158 H TYR 24 H TYR 24 -6.962 3.473 0.625 159 HA TYR 24 HA TYR 24 -4.302 3.914 -0.353 160 HB2 TYR 24 HB2 TYR 24 -4.827 2.332 -2.383 161 HB3 TYR 24 3HB TYR 24 -4.121 1.677 -0.909 162 HD1 TYR 24 HD1 TYR 24 -7.564 2.455 -2.161 163 HD2 TYR 24 HD2 TYR 24 -4.993 -0.344 -0.248 164 HE1 TYR 24 HE1 TYR 24 -9.436 0.870 -1.977 165 HE2 TYR 24 HE2 TYR 24 -6.858 -1.937 -0.059 166 HH TYR 24 HH TYR 24 -9.056 -2.354 -1.303 167 H ALA 25 H ALA 25 -4.284 4.881 -2.492 168 HA ALA 25 HA ALA 25 -6.822 6.248 -3.064 169 HB1 ALA 25 HB1 ALA 25 -4.026 7.081 -3.057 170 HB2 ALA 25 HB2 ALA 25 -4.910 7.587 -4.498 171 HB3 ALA 25 HB3 ALA 25 -5.497 8.041 -2.898 172 H PHE 26 H PHE 26 -7.878 5.863 -4.900 173 HA PHE 26 HA PHE 26 -6.508 4.291 -6.977 174 HB2 PHE 26 HB2 PHE 26 -9.320 4.339 -5.974 175 HB3 PHE 26 3HB PHE 26 -9.041 3.922 -7.661 176 HD1 PHE 26 HD1 PHE 26 -6.986 3.111 -4.675 177 HD2 PHE 26 HD2 PHE 26 -9.504 1.652 -7.781 178 HE1 PHE 26 HE1 PHE 26 -6.459 0.801 -4.012 179 HE2 PHE 26 HE2 PHE 26 -8.984 -0.661 -7.122 180 HZ PHE 26 HZ PHE 26 -7.459 -1.088 -5.236 181 H VAL 27 H VAL 27 -6.509 4.957 -9.079 182 HA VAL 27 HA VAL 27 -8.014 7.359 -9.802 183 HB VAL 27 HB VAL 27 -5.031 7.112 -9.814 184 HG11 VAL 27 HG11 VAL 27 -6.720 8.448 -11.869 185 HG12 VAL 27 HG12 VAL 27 -5.229 9.238 -11.353 186 HG13 VAL 27 HG13 VAL 27 -5.176 7.615 -12.044 187 HG21 VAL 27 HG21 VAL 27 -6.978 9.308 -9.124 188 HG22 VAL 27 HG22 VAL 27 -6.010 8.349 -8.003 189 HG23 VAL 27 HG23 VAL 27 -5.224 9.488 -9.096 190 H LYS 28 H LYS 28 -8.828 7.266 -11.805 191 HA LYS 28 HA LYS 28 -7.697 5.304 -13.687 192 HB2 LYS 28 HB2 LYS 28 -10.556 5.700 -12.861 193 HB3 LYS 28 HB3 LYS 28 -10.174 5.068 -14.456 194 HG2 LYS 28 HG2 LYS 28 -8.716 3.696 -12.360 195 HG3 LYS 28 HG3 LYS 28 -10.464 3.607 -12.134 196 HD2 LYS 28 HD2 LYS 28 -9.739 3.174 -14.898 197 HD3 LYS 28 HD3 LYS 28 -8.907 2.039 -13.834 198 HE2 LYS 28 HE2 LYS 28 -10.823 0.994 -13.233 199 HE3 LYS 28 HE3 LYS 28 -11.776 2.476 -13.290 200 HZ1 LYS 28 HZ1 LYS 28 -10.835 1.599 -15.864 201 HZ2 LYS 28 HZ2 LYS 28 -12.383 2.087 -15.387 202 HZ3 LYS 28 HZ3 LYS 28 -11.878 0.495 -15.118 203 H ASP 29 H ASP 29 -7.394 6.015 -15.716 204 HA ASP 29 HA ASP 29 -7.366 7.374 -17.543 205 HB2 ASP 29 HB2 ASP 29 -10.014 7.662 -16.472 206 HB3 ASP 29 3HB ASP 29 -9.467 9.216 -17.095 207 H GLY 30 H GLY 30 -6.438 8.186 -14.664 208 HA2 GLY 30 HA1 GLY 30 -4.862 9.844 -14.139 209 HA3 GLY 30 HA2 GLY 30 -5.415 10.776 -15.524 210 H LYS 31 H LYS 31 -7.696 9.481 -13.243 211 HA LYS 31 HA LYS 31 -7.866 11.975 -11.763 212 HB2 LYS 31 HB2 LYS 31 -10.377 12.059 -12.249 213 HB3 LYS 31 HB3 LYS 31 -9.294 12.612 -13.519 214 HG2 LYS 31 HG2 LYS 31 -9.494 10.335 -14.550 215 HG3 LYS 31 HG3 LYS 31 -10.759 9.990 -13.369 216 HD2 LYS 31 HD2 LYS 31 -12.060 10.750 -15.080 217 HD3 LYS 31 HD3 LYS 31 -11.715 12.291 -14.291 218 HE2 LYS 31 HE2 LYS 31 -10.520 13.035 -16.032 219 HE3 LYS 31 HE3 LYS 31 -9.680 11.498 -16.226 220 HZ1 LYS 31 HZ1 LYS 31 -11.583 12.511 -17.894 221 HZ2 LYS 31 HZ2 LYS 31 -12.426 11.344 -17.007 222 HZ3 LYS 31 HZ3 LYS 31 -11.036 10.910 -17.868 223 H VAL 32 H VAL 32 -9.529 11.836 -10.014 224 HA VAL 32 HA VAL 32 -9.191 9.466 -8.528 225 HB VAL 32 HB VAL 32 -11.272 11.610 -8.087 226 HG11 VAL 32 HG11 VAL 32 -11.661 9.556 -6.814 227 HG12 VAL 32 HG12 VAL 32 -10.020 9.644 -6.172 228 HG13 VAL 32 HG13 VAL 32 -11.198 10.891 -5.758 229 HG21 VAL 32 HG21 VAL 32 -9.342 12.208 -6.327 230 HG22 VAL 32 HG22 VAL 32 -8.352 11.546 -7.628 231 HG23 VAL 32 HG23 VAL 32 -9.423 12.912 -7.943 232 H HIS 33 H HIS 33 -10.215 7.589 -8.665 233 HA HIS 33 HA HIS 33 -12.817 7.500 -10.035 234 HB2 HIS 33 HB2 HIS 33 -10.824 6.184 -10.949 235 HB3 HIS 33 3HB HIS 33 -11.002 5.143 -9.539 236 HD1 HIS 33 HD1 HIS 33 -13.632 6.535 -11.916 237 HD2 HIS 33 HD2 HIS 33 -12.211 2.912 -10.463 238 HE1 HIS 33 HE1 HIS 33 -15.136 4.778 -12.904 239 H TYR 34 H TYR 34 -11.039 6.156 -7.273 240 HA TYR 34 HA TYR 34 -13.621 5.764 -5.918 241 HB2 TYR 34 HB2 TYR 34 -11.257 3.876 -5.881 242 HB3 TYR 34 3HB TYR 34 -12.677 3.723 -4.853 243 HD1 TYR 34 HD1 TYR 34 -14.795 4.439 -6.852 244 HD2 TYR 34 HD2 TYR 34 -11.384 1.915 -7.170 245 HE1 TYR 34 HE1 TYR 34 -15.928 3.139 -8.606 246 HE2 TYR 34 HE2 TYR 34 -12.507 0.609 -8.926 247 HH TYR 34 HH TYR 34 -14.903 0.135 -9.618 248 H GLU 35 H GLU 35 -13.043 5.202 -3.459 249 HA GLU 35 HA GLU 35 -10.785 6.327 -2.261 250 HB2 GLU 35 HB2 GLU 35 -12.315 8.332 -3.308 251 HB3 GLU 35 HB3 GLU 35 -12.955 8.227 -1.675 252 HG2 GLU 35 HG2 GLU 35 -10.025 8.489 -2.276 253 HG3 GLU 35 HG3 GLU 35 -11.091 9.869 -2.018 254 H ASP 36 H ASP 36 -10.882 4.730 -0.773 255 HA ASP 36 HA ASP 36 -12.525 5.029 1.488 256 HB2 ASP 36 HB2 ASP 36 -13.894 3.775 -0.556 257 HB3 ASP 36 3HB ASP 36 -13.289 2.423 0.400 258 H ALA 37 H ALA 37 -12.430 2.859 2.850 259 HA ALA 37 HA ALA 37 -9.976 1.371 2.366 260 HB1 ALA 37 HB1 ALA 37 -10.146 2.463 5.101 261 HB2 ALA 37 HB2 ALA 37 -8.739 2.158 4.082 262 HB3 ALA 37 HB3 ALA 37 -9.713 3.607 3.831 263 H ASP 38 H ASP 38 -9.681 0.087 4.731 264 HA ASP 38 HA ASP 38 -12.227 -0.899 5.677 265 HB2 ASP 38 HB2 ASP 38 -10.436 -2.533 3.902 266 HB3 ASP 38 3HB ASP 38 -11.459 -3.312 5.106 267 H VAL 39 H VAL 39 -12.090 -1.840 7.671 268 HA VAL 39 HA VAL 39 -9.429 -1.810 8.912 269 HB VAL 39 HB VAL 39 -12.091 -1.937 10.325 270 HG11 VAL 39 HG11 VAL 39 -9.266 -1.418 11.205 271 HG12 VAL 39 HG12 VAL 39 -10.658 -0.949 12.183 272 HG13 VAL 39 HG13 VAL 39 -10.389 -2.647 11.784 273 HG21 VAL 39 HG21 VAL 39 -10.423 0.487 9.659 274 HG22 VAL 39 HG22 VAL 39 -12.009 0.096 8.992 275 HG23 VAL 39 HG23 VAL 39 -11.842 0.477 10.706 276 H GLY 40 H GLY 40 -8.830 -3.503 10.387 277 HA2 GLY 40 HA1 GLY 40 -10.158 -6.070 9.764 278 HA3 GLY 40 HA2 GLY 40 -8.419 -5.906 9.951 279 H LYS 41 H LYS 41 -8.952 -7.739 11.482 280 HA LYS 41 HA LYS 41 -8.759 -6.780 14.145 281 HB2 LYS 41 HB2 LYS 41 -10.805 -7.756 15.063 282 HB3 LYS 41 HB3 LYS 41 -11.179 -6.502 13.889 283 HG2 LYS 41 HG2 LYS 41 -11.035 -9.270 12.867 284 HG3 LYS 41 HG3 LYS 41 -12.391 -8.878 13.927 285 HD2 LYS 41 HD2 LYS 41 -12.337 -6.725 12.242 286 HD3 LYS 41 HD3 LYS 41 -11.847 -8.042 11.174 287 HE2 LYS 41 HE2 LYS 41 -14.215 -8.345 12.980 288 HE3 LYS 41 HE3 LYS 41 -14.365 -7.494 11.444 289 HZ1 LYS 41 HZ1 LYS 41 -14.885 -9.639 10.863 290 HZ2 LYS 41 HZ2 LYS 41 -13.781 -10.332 11.941 291 HZ3 LYS 41 HZ3 LYS 41 -13.229 -9.610 10.515 292 H ASN 42 H ASN 42 -7.389 -8.545 12.285 293 HA ASN 42 HA ASN 42 -7.767 -11.229 13.286 294 HB2 ASN 42 HB2 ASN 42 -5.808 -10.002 11.346 295 HB3 ASN 42 3HB ASN 42 -5.721 -11.690 11.839 296 HD21 ASN 42 HD21 ASN 42 -6.047 -10.989 9.211 297 HD22 ASN 42 HD22 ASN 42 -7.629 -11.441 8.685 298 HA PRO 43 HA PRO 43 -4.857 -11.178 16.571 299 HB2 PRO 43 HB2 PRO 43 -3.826 -13.685 16.416 300 HB3 PRO 43 HB3 PRO 43 -5.464 -13.353 16.990 301 HG2 PRO 43 HG2 PRO 43 -4.551 -14.268 14.290 302 HG3 PRO 43 HG3 PRO 43 -5.933 -14.824 15.251 303 HD2 PRO 43 HD2 PRO 43 -6.198 -13.080 13.197 304 HD3 PRO 43 HD3 PRO 43 -7.250 -13.039 14.627 305 H ALA 44 H ALA 44 -3.518 -12.742 13.654 306 HA ALA 44 HA ALA 44 -0.817 -12.300 14.257 307 HB1 ALA 44 HB1 ALA 44 -0.539 -13.513 12.421 308 HB2 ALA 44 HB2 ALA 44 -2.282 -13.452 12.156 309 HB3 ALA 44 HB3 ALA 44 -1.236 -12.235 11.425 310 H ALA 45 H ALA 45 -3.255 -10.185 13.014 311 HA ALA 45 HA ALA 45 -1.299 -8.206 12.135 312 HB1 ALA 45 HB1 ALA 45 -4.312 -8.221 12.018 313 HB2 ALA 45 HB2 ALA 45 -3.290 -6.918 11.410 314 HB3 ALA 45 HB3 ALA 45 -3.193 -8.523 10.687 315 H ALA 46 H ALA 46 -3.644 -8.759 14.689 316 HA ALA 46 HA ALA 46 -3.435 -6.129 15.805 317 HB1 ALA 46 HB1 ALA 46 -4.476 -8.637 17.115 318 HB2 ALA 46 HB2 ALA 46 -4.787 -6.972 17.608 319 HB3 ALA 46 HB3 ALA 46 -5.431 -7.573 16.080 320 H THR 47 H THR 47 -1.689 -9.102 16.125 321 HA THR 47 HA THR 47 -0.479 -8.518 18.649 322 HB THR 47 HB THR 47 -0.674 -10.828 17.824 323 HG1 THR 47 HG1 THR 47 1.711 -11.293 18.129 324 HG21 THR 47 HG21 THR 47 1.625 -10.520 15.987 325 HG22 THR 47 HG22 THR 47 0.073 -9.910 15.412 326 HG23 THR 47 HG23 THR 47 0.234 -11.599 15.891 327 H MET 48 H MET 48 -0.077 -7.194 15.617 328 HA MET 48 HA MET 48 2.704 -6.417 16.203 329 HB2 MET 48 HB2 MET 48 1.262 -6.890 13.620 330 HB3 MET 48 HB3 MET 48 2.639 -5.798 13.666 331 HG2 MET 48 HG2 MET 48 3.286 -8.238 15.016 332 HG3 MET 48 HG3 MET 48 2.657 -8.584 13.407 333 HE1 MET 48 HE1 MET 48 6.118 -5.604 14.024 334 HE2 MET 48 HE2 MET 48 4.426 -5.295 14.412 335 HE3 MET 48 HE3 MET 48 5.363 -6.425 15.390 336 H ARG 49 H ARG 49 0.077 -5.234 17.092 337 HA ARG 49 HA ARG 49 -0.756 -3.160 17.513 338 HB2 ARG 49 HB2 ARG 49 1.880 -2.291 16.316 339 HB3 ARG 49 HB3 ARG 49 0.741 -1.203 17.097 340 HG2 ARG 49 HG2 ARG 49 1.018 -3.018 19.046 341 HG3 ARG 49 HG3 ARG 49 2.596 -3.172 18.270 342 HD2 ARG 49 HD2 ARG 49 3.140 -1.459 19.630 343 HD3 ARG 49 HD3 ARG 49 2.371 -0.488 18.376 344 HE ARG 49 HE ARG 49 0.758 0.058 19.885 345 HH11 ARG 49 HH11 ARG 49 2.261 -2.912 20.907 346 HH12 ARG 49 HH12 ARG 49 1.369 -3.006 22.389 347 HH21 ARG 49 HH21 ARG 49 -0.423 -0.055 21.834 348 HH22 ARG 49 HH22 ARG 49 -0.158 -1.381 22.915 349 H ASN 50 H ASN 50 1.046 -2.199 14.626 350 HA ASN 50 HA ASN 50 -1.314 -2.306 12.957 351 HB2 ASN 50 HB2 ASN 50 -1.341 0.081 12.435 352 HB3 ASN 50 3HB ASN 50 -1.616 -0.172 14.156 353 HD21 ASN 50 HD21 ASN 50 -0.128 0.542 15.624 354 HD22 ASN 50 HD22 ASN 50 1.218 1.538 15.199 355 H VAL 51 H VAL 51 1.576 -3.219 13.144 356 HA VAL 51 HA VAL 51 2.968 -1.954 10.995 357 HB VAL 51 HB VAL 51 3.456 -4.657 12.254 358 HG11 VAL 51 HG11 VAL 51 5.844 -3.576 11.298 359 HG12 VAL 51 HG12 VAL 51 4.947 -4.941 10.629 360 HG13 VAL 51 HG13 VAL 51 4.667 -3.313 10.012 361 HG21 VAL 51 HG21 VAL 51 5.096 -3.559 13.633 362 HG22 VAL 51 HG22 VAL 51 4.795 -2.017 12.832 363 HG23 VAL 51 HG23 VAL 51 3.543 -2.748 13.837 364 H ALA 52 H ALA 52 0.974 -4.849 11.308 365 HA ALA 52 HA ALA 52 1.440 -5.733 8.620 366 HB1 ALA 52 HB1 ALA 52 0.794 -7.189 10.596 367 HB2 ALA 52 HB2 ALA 52 -0.847 -6.580 10.376 368 HB3 ALA 52 HB3 ALA 52 -0.062 -7.485 9.082 369 H GLY 53 H GLY 53 -0.822 -3.614 10.196 370 HA2 GLY 53 HA1 GLY 53 -2.808 -3.653 8.140 371 HA3 GLY 53 HA2 GLY 53 -2.664 -2.463 9.425 372 H GLU 54 H GLU 54 -0.250 -1.322 8.986 373 HA GLU 54 HA GLU 54 -0.736 0.569 7.035 374 HB2 GLU 54 HB2 GLU 54 1.739 1.058 7.183 375 HB3 GLU 54 HB3 GLU 54 0.871 1.062 8.711 376 HG2 GLU 54 HG2 GLU 54 1.661 -1.266 9.090 377 HG3 GLU 54 HG3 GLU 54 2.652 -1.112 7.639 378 H ILE 55 H ILE 55 1.341 -2.308 6.809 379 HA ILE 55 HA ILE 55 1.992 -1.853 4.060 380 HB ILE 55 HB ILE 55 2.331 -4.288 5.810 381 HG12 ILE 55 HG12 ILE 55 4.738 -3.022 4.827 382 HG13 ILE 55 HG13 ILE 55 3.727 -1.858 5.676 383 HG21 ILE 55 HG21 ILE 55 4.008 -4.866 3.901 384 HG22 ILE 55 HG22 ILE 55 2.299 -5.256 3.720 385 HG23 ILE 55 HG23 ILE 55 2.966 -3.827 2.930 386 HD11 ILE 55 HD11 ILE 55 5.484 -3.732 6.777 387 HD12 ILE 55 HD12 ILE 55 4.362 -2.670 7.629 388 HD13 ILE 55 HD13 ILE 55 3.859 -4.297 7.166 389 H ALA 56 H ALA 56 -0.468 -3.644 5.778 390 HA ALA 56 HA ALA 56 -1.361 -5.440 3.908 391 HB1 ALA 56 HB1 ALA 56 -3.701 -4.395 4.990 392 HB2 ALA 56 HB2 ALA 56 -2.758 -5.750 5.610 393 HB3 ALA 56 HB3 ALA 56 -2.471 -4.122 6.224 394 H ALA 57 H ALA 57 -1.757 -1.964 3.930 395 HA ALA 57 HA ALA 57 -3.814 -1.670 2.079 396 HB1 ALA 57 HB1 ALA 57 -1.424 0.081 2.627 397 HB2 ALA 57 HB2 ALA 57 -2.775 0.553 1.595 398 HB3 ALA 57 HB3 ALA 57 -3.047 0.226 3.306 399 H ALA 58 H ALA 58 -0.298 -1.699 1.474 400 HA ALA 58 HA ALA 58 -0.333 -1.446 -1.276 401 HB1 ALA 58 HB1 ALA 58 1.815 -1.370 -0.624 402 HB2 ALA 58 HB2 ALA 58 1.557 -2.495 0.710 403 HB3 ALA 58 HB3 ALA 58 1.781 -3.107 -0.929 404 H LEU 59 H LEU 59 -0.749 -4.353 0.687 405 HA LEU 59 HA LEU 59 -0.609 -6.308 -1.257 406 HB2 LEU 59 HB2 LEU 59 -2.579 -6.256 1.021 407 HB3 LEU 59 3HB LEU 59 -1.970 -7.680 0.180 408 HG LEU 59 HG LEU 59 -0.597 -5.945 2.199 409 HD11 LEU 59 HD11 LEU 59 -1.339 -7.703 3.385 410 HD12 LEU 59 HD12 LEU 59 0.072 -8.513 2.703 411 HD13 LEU 59 HD13 LEU 59 -1.514 -8.728 1.961 412 HD21 LEU 59 HD21 LEU 59 0.975 -6.023 0.387 413 HD22 LEU 59 HD22 LEU 59 0.723 -7.756 0.184 414 HD23 LEU 59 HD23 LEU 59 1.505 -7.143 1.641 415 H TYR 60 H TYR 60 -3.686 -4.982 -0.030 416 HA TYR 60 HA TYR 60 -5.202 -5.963 -2.204 417 HB2 TYR 60 HB2 TYR 60 -5.822 -3.785 -0.200 418 HB3 TYR 60 3HB TYR 60 -6.992 -4.463 -1.326 419 HD1 TYR 60 HD1 TYR 60 -4.762 -5.328 1.514 420 HD2 TYR 60 HD2 TYR 60 -8.152 -6.441 -0.806 421 HE1 TYR 60 HE1 TYR 60 -5.282 -7.104 3.134 422 HE2 TYR 60 HE2 TYR 60 -8.681 -8.219 0.810 423 HH TYR 60 HH TYR 60 -7.969 -8.445 3.593 424 H ALA 61 H ALA 61 -3.293 -3.128 -1.772 425 HA ALA 61 HA ALA 61 -4.533 -1.438 -3.666 426 HB1 ALA 61 HB1 ALA 61 -1.652 -1.491 -2.778 427 HB2 ALA 61 HB2 ALA 61 -2.454 -0.164 -3.619 428 HB3 ALA 61 HB3 ALA 61 -2.960 -0.610 -1.989 429 H VAL 62 H VAL 62 -1.888 -3.784 -3.929 430 HA VAL 62 HA VAL 62 -1.443 -3.267 -6.714 431 HB VAL 62 HB VAL 62 -0.524 -5.564 -4.981 432 HG11 VAL 62 HG11 VAL 62 -0.508 -6.262 -7.279 433 HG12 VAL 62 HG12 VAL 62 0.279 -4.762 -7.774 434 HG13 VAL 62 HG13 VAL 62 1.150 -5.930 -6.780 435 HG21 VAL 62 HG21 VAL 62 1.177 -3.310 -5.977 436 HG22 VAL 62 HG22 VAL 62 0.230 -3.141 -4.500 437 HG23 VAL 62 HG23 VAL 62 1.458 -4.400 -4.621 438 H LYS 63 H LYS 63 -3.025 -5.847 -4.859 439 HA LYS 63 HA LYS 63 -3.681 -7.580 -6.901 440 HB2 LYS 63 HB2 LYS 63 -5.344 -6.862 -4.480 441 HB3 LYS 63 HB3 LYS 63 -5.587 -8.284 -5.486 442 HG2 LYS 63 HG2 LYS 63 -3.646 -9.307 -4.736 443 HG3 LYS 63 HG3 LYS 63 -2.948 -7.787 -4.171 444 HD2 LYS 63 HD2 LYS 63 -3.725 -8.222 -2.135 445 HD3 LYS 63 HD3 LYS 63 -5.371 -8.148 -2.769 446 HE2 LYS 63 HE2 LYS 63 -5.602 -10.390 -2.779 447 HE3 LYS 63 HE3 LYS 63 -3.938 -10.662 -3.294 448 HZ1 LYS 63 HZ1 LYS 63 -4.111 -11.517 -1.125 449 HZ2 LYS 63 HZ2 LYS 63 -4.931 -10.154 -0.550 450 HZ3 LYS 63 HZ3 LYS 63 -3.293 -10.046 -0.957 451 H LYS 64 H LYS 64 -5.541 -4.778 -5.751 452 HA LYS 64 HA LYS 64 -7.596 -5.082 -7.712 453 HB2 LYS 64 HB2 LYS 64 -6.959 -3.229 -5.528 454 HB3 LYS 64 HB3 LYS 64 -7.752 -2.462 -6.899 455 HG2 LYS 64 HG2 LYS 64 -9.585 -3.068 -5.714 456 HG3 LYS 64 HG3 LYS 64 -9.369 -4.545 -6.655 457 HD2 LYS 64 HD2 LYS 64 -7.861 -5.252 -4.635 458 HD3 LYS 64 HD3 LYS 64 -8.790 -4.025 -3.771 459 HE2 LYS 64 HE2 LYS 64 -10.121 -5.833 -3.384 460 HE3 LYS 64 HE3 LYS 64 -10.818 -5.294 -4.911 461 HZ1 LYS 64 HZ1 LYS 64 -10.368 -7.705 -4.821 462 HZ2 LYS 64 HZ2 LYS 64 -8.715 -7.377 -4.679 463 HZ3 LYS 64 HZ3 LYS 64 -9.548 -6.929 -6.081 464 H ALA 65 H ALA 65 -4.556 -3.381 -7.552 465 HA ALA 65 HA ALA 65 -4.838 -1.470 -9.521 466 HB1 ALA 65 HB1 ALA 65 -2.458 -1.523 -9.773 467 HB2 ALA 65 HB2 ALA 65 -2.839 -1.802 -8.074 468 HB3 ALA 65 HB3 ALA 65 -2.373 -3.154 -9.106 469 H SER 66 H SER 66 -4.395 -4.934 -9.854 470 HA SER 66 HA SER 66 -3.872 -4.889 -12.660 471 HB2 SER 66 HB2 SER 66 -3.084 -6.827 -11.631 472 HB3 SER 66 3HB SER 66 -4.546 -7.030 -10.667 473 HG SER 66 HG SER 66 -5.214 -8.303 -12.184 474 H GLN 67 H GLN 67 -6.738 -5.011 -10.681 475 HA GLN 67 HA GLN 67 -8.535 -5.882 -12.699 476 HB2 GLN 67 HB2 GLN 67 -8.922 -4.443 -10.080 477 HB3 GLN 67 HB3 GLN 67 -10.271 -4.836 -11.138 478 HG2 GLN 67 HG2 GLN 67 -9.287 -7.248 -11.025 479 HG3 GLN 67 HG3 GLN 67 -8.510 -6.647 -9.560 480 HE21 GLN 67 HE21 GLN 67 -11.708 -6.142 -11.012 481 HE22 GLN 67 HE22 GLN 67 -12.606 -6.616 -9.614 482 H LEU 68 H LEU 68 -7.428 -2.718 -11.616 483 HA LEU 68 HA LEU 68 -9.177 -1.371 -13.517 484 HB2 LEU 68 HB2 LEU 68 -7.116 -0.019 -11.818 485 HB3 LEU 68 3HB LEU 68 -8.628 0.629 -12.452 486 HG LEU 68 HG LEU 68 -9.371 -1.461 -10.744 487 HD11 LEU 68 HD11 LEU 68 -7.631 0.317 -9.123 488 HD12 LEU 68 HD12 LEU 68 -6.877 -1.028 -9.980 489 HD13 LEU 68 HD13 LEU 68 -8.166 -1.336 -8.816 490 HD21 LEU 68 HD21 LEU 68 -10.525 0.691 -11.174 491 HD22 LEU 68 HD22 LEU 68 -9.318 1.499 -10.175 492 HD23 LEU 68 HD23 LEU 68 -10.392 0.297 -9.460 493 H GLY 69 H GLY 69 -6.102 -2.724 -13.467 494 HA2 GLY 69 HA1 GLY 69 -4.311 -2.625 -14.899 495 HA3 GLY 69 HA2 GLY 69 -5.471 -2.058 -16.091 496 H VAL 70 H VAL 70 -4.722 -0.349 -13.120 497 HA VAL 70 HA VAL 70 -3.629 1.844 -14.746 498 HB VAL 70 HB VAL 70 -4.229 3.350 -12.961 499 HG11 VAL 70 HG11 VAL 70 -6.221 3.428 -13.940 500 HG12 VAL 70 HG12 VAL 70 -6.124 1.717 -14.363 501 HG13 VAL 70 HG13 VAL 70 -6.788 2.205 -12.804 502 HG21 VAL 70 HG21 VAL 70 -4.489 0.849 -11.437 503 HG22 VAL 70 HG22 VAL 70 -4.029 2.465 -10.899 504 HG23 VAL 70 HG23 VAL 70 -5.732 2.058 -11.114 505 H LYS 71 H LYS 71 -2.966 -0.293 -12.072 506 HA LYS 71 HA LYS 71 -1.042 -0.795 -10.964 507 HB2 LYS 71 HB2 LYS 71 0.403 1.008 -12.904 508 HB3 LYS 71 HB3 LYS 71 1.066 -0.336 -11.985 509 HG2 LYS 71 HG2 LYS 71 0.725 -1.618 -13.757 510 HG3 LYS 71 HG3 LYS 71 -1.011 -1.435 -13.489 511 HD2 LYS 71 HD2 LYS 71 -1.240 0.118 -15.144 512 HD3 LYS 71 HD3 LYS 71 0.391 0.755 -14.921 513 HE2 LYS 71 HE2 LYS 71 -0.282 -1.900 -16.186 514 HE3 LYS 71 HE3 LYS 71 0.104 -0.425 -17.071 515 HZ1 LYS 71 HZ1 LYS 71 2.263 -0.445 -15.785 516 HZ2 LYS 71 HZ2 LYS 71 2.087 -1.639 -16.971 517 HZ3 LYS 71 HZ3 LYS 71 1.884 -2.032 -15.337 518 H ILE 72 H ILE 72 1.151 0.618 -10.217 519 HA ILE 72 HA ILE 72 0.192 3.179 -9.166 520 HB ILE 72 HB ILE 72 1.019 2.659 -6.918 521 HG12 ILE 72 HG12 ILE 72 1.578 -0.032 -8.156 522 HG13 ILE 72 HG13 ILE 72 2.688 1.017 -7.279 523 HG21 ILE 72 HG21 ILE 72 -1.368 2.050 -7.897 524 HG22 ILE 72 HG22 ILE 72 -0.849 0.421 -7.470 525 HG23 ILE 72 HG23 ILE 72 -0.919 1.677 -6.233 526 HD11 ILE 72 HD11 ILE 72 1.202 0.611 -5.254 527 HD12 ILE 72 HD12 ILE 72 0.486 -0.698 -6.195 528 HD13 ILE 72 HD13 ILE 72 2.206 -0.727 -5.809 529 H ARG 73 H ARG 73 2.065 4.278 -7.915 530 HA ARG 73 HA ARG 73 4.139 4.798 -9.686 531 HB2 ARG 73 HB2 ARG 73 3.470 6.320 -7.871 532 HB3 ARG 73 HB3 ARG 73 4.126 5.196 -6.689 533 HG2 ARG 73 HG2 ARG 73 5.935 6.511 -6.819 534 HG3 ARG 73 HG3 ARG 73 6.285 5.557 -8.262 535 HD2 ARG 73 HD2 ARG 73 4.695 7.414 -9.348 536 HD3 ARG 73 HD3 ARG 73 5.346 8.353 -8.006 537 HE ARG 73 HE ARG 73 7.395 8.370 -9.043 538 HH11 ARG 73 HH11 ARG 73 5.314 6.055 -10.603 539 HH12 ARG 73 HH12 ARG 73 6.389 5.790 -11.936 540 HH21 ARG 73 HH21 ARG 73 8.820 8.029 -10.793 541 HH22 ARG 73 HH22 ARG 73 8.383 6.912 -12.042 542 H ILE 74 H ILE 74 6.155 4.007 -10.000 543 HA ILE 74 HA ILE 74 7.201 1.998 -8.147 544 HB ILE 74 HB ILE 74 7.537 0.330 -9.724 545 HG12 ILE 74 HG12 ILE 74 8.566 1.616 -11.482 546 HG13 ILE 74 HG13 ILE 74 7.238 0.700 -12.184 547 HG21 ILE 74 HG21 ILE 74 5.007 1.380 -10.905 548 HG22 ILE 74 HG22 ILE 74 5.420 -0.259 -10.404 549 HG23 ILE 74 HG23 ILE 74 5.061 0.970 -9.191 550 HD11 ILE 74 HD11 ILE 74 6.861 2.711 -13.155 551 HD12 ILE 74 HD12 ILE 74 5.923 2.938 -11.679 552 HD13 ILE 74 HD13 ILE 74 7.544 3.618 -11.806 553 H LEU 75 H LEU 75 9.480 1.275 -9.084 554 HA LEU 75 HA LEU 75 11.626 1.845 -9.589 555 HB2 LEU 75 HB2 LEU 75 10.028 3.382 -11.392 556 HB3 LEU 75 3HB LEU 75 11.398 4.355 -10.861 557 HG LEU 75 HG LEU 75 11.978 3.261 -12.910 558 HD11 LEU 75 HD11 LEU 75 13.659 3.413 -11.031 559 HD12 LEU 75 HD12 LEU 75 14.000 2.217 -12.281 560 HD13 LEU 75 HD13 LEU 75 13.340 1.703 -10.729 561 HD21 LEU 75 HD21 LEU 75 11.094 0.744 -11.515 562 HD22 LEU 75 HD22 LEU 75 12.058 0.750 -12.992 563 HD23 LEU 75 HD23 LEU 75 10.439 1.454 -12.992 564 H HIS 76 H HIS 76 10.230 5.104 -9.337 565 HA HIS 76 HA HIS 76 12.156 5.706 -7.222 566 HB2 HIS 76 HB2 HIS 76 11.112 7.172 -9.408 567 HB3 HIS 76 3HB HIS 76 10.540 7.966 -7.943 568 HD1 HIS 76 HD1 HIS 76 12.039 9.913 -7.638 569 HD2 HIS 76 HD2 HIS 76 14.147 6.475 -8.634 570 HE1 HIS 76 HE1 HIS 76 14.468 10.552 -7.506 571 H ASP 77 H ASP 77 9.636 4.109 -6.878 572 HA ASP 77 HA ASP 77 8.119 5.832 -5.063 573 HB2 ASP 77 HB2 ASP 77 6.998 4.328 -6.794 574 HB3 ASP 77 3HB ASP 77 7.481 2.972 -5.778 575 H TYR 78 H TYR 78 10.607 5.372 -4.102 576 HA TYR 78 HA TYR 78 11.118 3.122 -2.600 577 HB2 TYR 78 HB2 TYR 78 11.926 5.962 -2.458 578 HB3 TYR 78 3HB TYR 78 12.132 5.040 -0.974 579 HD1 TYR 78 HD1 TYR 78 12.595 4.141 -4.573 580 HD2 TYR 78 HD2 TYR 78 14.369 4.521 -0.724 581 HE1 TYR 78 HE1 TYR 78 14.692 3.204 -5.453 582 HE2 TYR 78 HE2 TYR 78 16.472 3.586 -1.594 583 HH TYR 78 HH TYR 78 16.691 2.037 -4.592 584 H ALA 79 H ALA 79 9.531 6.093 -1.419 585 HA ALA 79 HA ALA 79 8.168 6.478 0.368 586 HB1 ALA 79 HB1 ALA 79 6.818 4.925 -1.202 587 HB2 ALA 79 HB2 ALA 79 7.087 3.706 0.045 588 HB3 ALA 79 HB3 ALA 79 6.236 5.199 0.440 589 H GLY 80 H GLY 80 7.127 4.942 2.374 590 HA2 GLY 80 HA1 GLY 80 9.350 4.654 4.111 591 HA3 GLY 80 HA2 GLY 80 7.693 4.194 4.473 592 H ILE 81 H ILE 81 7.671 2.418 2.052 593 HA ILE 81 HA ILE 81 8.354 0.014 3.340 594 HB ILE 81 HB ILE 81 7.605 0.714 0.530 595 HG12 ILE 81 HG12 ILE 81 5.748 -0.872 1.056 596 HG13 ILE 81 HG13 ILE 81 6.421 -1.069 2.669 597 HG21 ILE 81 HG21 ILE 81 9.067 -0.945 -0.075 598 HG22 ILE 81 HG22 ILE 81 8.899 -1.802 1.457 599 HG23 ILE 81 HG23 ILE 81 7.618 -1.896 0.248 600 HD11 ILE 81 HD11 ILE 81 4.527 0.501 2.580 601 HD12 ILE 81 HD12 ILE 81 6.013 1.245 3.170 602 HD13 ILE 81 HD13 ILE 81 5.474 1.543 1.518 603 H ALA 82 H ALA 82 9.996 1.837 0.773 604 HA ALA 82 HA ALA 82 12.159 0.008 0.514 605 HB1 ALA 82 HB1 ALA 82 13.206 1.716 -0.849 606 HB2 ALA 82 HB2 ALA 82 11.499 1.565 -1.271 607 HB3 ALA 82 HB3 ALA 82 12.046 2.915 -0.277 608 H PHE 83 H PHE 83 11.354 2.151 2.948 609 HA PHE 83 HA PHE 83 13.897 3.160 3.677 610 HB2 PHE 83 HB2 PHE 83 11.556 3.930 4.451 611 HB3 PHE 83 3HB PHE 83 11.679 2.638 5.641 612 HD1 PHE 83 HD1 PHE 83 13.045 5.859 4.548 613 HD2 PHE 83 HD2 PHE 83 13.169 2.803 7.509 614 HE1 PHE 83 HE1 PHE 83 14.323 7.350 6.029 615 HE2 PHE 83 HE2 PHE 83 14.446 4.291 8.996 616 HZ PHE 83 HZ PHE 83 15.026 6.567 8.256 617 H TRP 84 H TRP 84 11.970 0.515 5.098 618 HA TRP 84 HA TRP 84 14.258 -0.443 6.581 619 HB2 TRP 84 HB2 TRP 84 12.745 -1.521 7.855 620 HB3 TRP 84 3HB TRP 84 11.542 -0.575 6.982 621 HD1 TRP 84 HD1 TRP 84 13.149 -4.080 6.955 622 HE1 TRP 84 HE1 TRP 84 11.511 -5.707 5.817 623 HE3 TRP 84 HE3 TRP 84 9.596 -0.729 5.445 624 HZ2 TRP 84 HZ2 TRP 84 9.040 -5.586 4.459 625 HZ3 TRP 84 HZ3 TRP 84 7.626 -1.566 4.231 626 HH2 TRP 84 HH2 TRP 84 7.356 -3.945 3.749 627 H ALA 85 H ALA 85 12.919 -0.953 3.498 628 HA ALA 85 HA ALA 85 13.535 -3.652 3.040 629 HB1 ALA 85 HB1 ALA 85 12.382 -1.646 1.581 630 HB2 ALA 85 HB2 ALA 85 13.902 -1.909 0.725 631 HB3 ALA 85 HB3 ALA 85 12.785 -3.252 0.970 632 H THR 86 H THR 86 15.570 -0.966 3.498 633 HA THR 86 HA THR 86 17.772 -1.665 1.887 634 HB THR 86 HB THR 86 19.113 -0.279 3.495 635 HG1 THR 86 HG1 THR 86 16.599 0.158 4.762 636 HG21 THR 86 HG21 THR 86 18.090 0.804 1.606 637 HG22 THR 86 HG22 THR 86 17.884 1.840 3.019 638 HG23 THR 86 HG23 THR 86 16.533 0.870 2.431 639 H GLY 87 H GLY 87 16.495 -3.128 4.677 640 HA2 GLY 87 HA1 GLY 87 17.186 -5.184 5.560 641 HA3 GLY 87 HA2 GLY 87 18.732 -4.988 4.746 642 H GLU 88 H GLU 88 16.841 -4.127 7.569 643 HA GLU 88 HA GLU 88 19.217 -2.971 8.836 644 HB2 GLU 88 HB2 GLU 88 16.359 -3.010 9.818 645 HB3 GLU 88 HB3 GLU 88 17.696 -2.132 10.546 646 HG2 GLU 88 HG2 GLU 88 17.896 -0.920 8.314 647 HG3 GLU 88 HG3 GLU 88 16.313 -1.602 7.940 648 H TRP 89 H TRP 89 16.542 -5.112 9.834 649 HA TRP 89 HA TRP 89 18.199 -7.223 10.673 650 HB2 TRP 89 HB2 TRP 89 18.069 -5.048 12.511 651 HB3 TRP 89 3HB TRP 89 17.182 -6.401 13.207 652 HD1 TRP 89 HD1 TRP 89 20.686 -5.233 12.388 653 HE1 TRP 89 HE1 TRP 89 22.384 -6.934 13.311 654 HE3 TRP 89 HE3 TRP 89 17.459 -8.979 13.688 655 HZ2 TRP 89 HZ2 TRP 89 22.359 -9.521 14.439 656 HZ3 TRP 89 HZ3 TRP 89 18.377 -11.035 14.683 657 HH2 TRP 89 HH2 TRP 89 20.776 -11.298 15.049 658 H LYS 90 H LYS 90 16.935 -8.945 10.528 659 HA LYS 90 HA LYS 90 14.117 -8.755 10.319 660 HB2 LYS 90 HB2 LYS 90 14.220 -11.273 10.354 661 HB3 LYS 90 HB3 LYS 90 15.206 -10.502 9.120 662 HG2 LYS 90 HG2 LYS 90 16.839 -10.775 11.393 663 HG3 LYS 90 HG3 LYS 90 15.988 -12.308 11.186 664 HD2 LYS 90 HD2 LYS 90 16.919 -12.695 9.108 665 HD3 LYS 90 HD3 LYS 90 17.236 -10.983 8.817 666 HE2 LYS 90 HE2 LYS 90 19.331 -11.318 9.476 667 HE3 LYS 90 HE3 LYS 90 18.724 -11.668 11.094 668 HZ1 LYS 90 HZ1 LYS 90 19.843 -13.441 9.158 669 HZ2 LYS 90 HZ2 LYS 90 18.330 -13.982 9.689 670 HZ3 LYS 90 HZ3 LYS 90 19.563 -13.690 10.809 671 H ALA 91 H ALA 91 13.351 -7.808 12.226 672 HA ALA 91 HA ALA 91 13.878 -8.983 14.793 673 HB1 ALA 91 HB1 ALA 91 12.630 -7.251 15.701 674 HB2 ALA 91 HB2 ALA 91 13.300 -6.526 14.240 675 HB3 ALA 91 HB3 ALA 91 11.628 -7.083 14.260 676 H LYS 92 H LYS 92 11.044 -8.813 12.647 677 HA LYS 92 HA LYS 92 9.630 -10.745 14.303 678 HB2 LYS 92 HB2 LYS 92 8.763 -9.351 11.762 679 HB3 LYS 92 HB3 LYS 92 7.737 -10.336 12.795 680 HG2 LYS 92 HG2 LYS 92 7.210 -8.525 13.946 681 HG3 LYS 92 HG3 LYS 92 8.895 -8.380 14.452 682 HD2 LYS 92 HD2 LYS 92 9.112 -7.310 12.023 683 HD3 LYS 92 HD3 LYS 92 7.412 -6.942 12.321 684 HE2 LYS 92 HE2 LYS 92 8.354 -6.118 14.642 685 HE3 LYS 92 HE3 LYS 92 9.849 -5.958 13.722 686 HZ1 LYS 92 HZ1 LYS 92 8.246 -3.971 13.849 687 HZ2 LYS 92 HZ2 LYS 92 7.342 -4.806 12.690 688 HZ3 LYS 92 HZ3 LYS 92 8.938 -4.357 12.355 689 H ASN 93 H ASN 93 11.200 -10.524 11.174 690 HA ASN 93 HA ASN 93 11.511 -12.062 9.499 691 HB2 ASN 93 HB2 ASN 93 12.633 -14.079 10.259 692 HB3 ASN 93 3HB ASN 93 13.163 -12.711 11.233 693 HD21 ASN 93 HD21 ASN 93 12.572 -12.586 13.383 694 HD22 ASN 93 HD22 ASN 93 11.906 -13.930 14.240 695 H GLU 94 H GLU 94 8.781 -11.779 10.115 696 HA GLU 94 HA GLU 94 7.779 -14.236 9.028 697 HB2 GLU 94 HB2 GLU 94 7.804 -14.901 11.353 698 HB3 GLU 94 HB3 GLU 94 6.982 -13.420 11.825 699 HG2 GLU 94 HG2 GLU 94 5.415 -14.762 9.859 700 HG3 GLU 94 HG3 GLU 94 5.850 -15.901 11.130 701 H PHE 95 H PHE 95 6.227 -11.757 11.048 702 HA PHE 95 HA PHE 95 4.015 -11.351 9.455 703 HB2 PHE 95 HB2 PHE 95 5.432 -9.339 11.215 704 HB3 PHE 95 3HB PHE 95 3.799 -9.150 10.583 705 HD1 PHE 95 HD1 PHE 95 2.091 -10.964 11.210 706 HD2 PHE 95 HD2 PHE 95 5.786 -10.394 13.243 707 HE1 PHE 95 HE1 PHE 95 1.197 -12.164 13.162 708 HE2 PHE 95 HE2 PHE 95 4.899 -11.595 15.200 709 HZ PHE 95 HZ PHE 95 2.601 -12.481 15.161 710 H THR 96 H THR 96 6.543 -8.866 9.690 711 HA THR 96 HA THR 96 5.888 -7.533 7.349 712 HB THR 96 HB THR 96 8.769 -7.564 7.997 713 HG1 THR 96 HG1 THR 96 8.119 -7.784 10.085 714 HG21 THR 96 HG21 THR 96 8.307 -5.086 8.104 715 HG22 THR 96 HG22 THR 96 6.639 -5.455 7.667 716 HG23 THR 96 HG23 THR 96 7.951 -5.853 6.557 717 H GLN 97 H GLN 97 8.187 -10.180 7.848 718 HA GLN 97 HA GLN 97 9.425 -10.271 5.396 719 HB2 GLN 97 HB2 GLN 97 9.260 -11.938 7.621 720 HB3 GLN 97 HB3 GLN 97 8.702 -12.939 6.289 721 HG2 GLN 97 HG2 GLN 97 10.995 -11.582 5.381 722 HG3 GLN 97 HG3 GLN 97 11.362 -12.192 6.993 723 HE21 GLN 97 HE21 GLN 97 9.794 -14.490 6.976 724 HE22 GLN 97 HE22 GLN 97 10.457 -15.606 5.835 725 H ALA 98 H ALA 98 6.328 -11.760 6.298 726 HA ALA 98 HA ALA 98 5.684 -13.135 4.035 727 HB1 ALA 98 HB1 ALA 98 3.530 -11.442 5.176 728 HB2 ALA 98 HB2 ALA 98 3.536 -13.164 4.790 729 HB3 ALA 98 HB3 ALA 98 4.336 -12.585 6.252 730 H TYR 99 H TYR 99 5.678 -9.658 4.475 731 HA TYR 99 HA TYR 99 4.195 -8.837 2.290 732 HB2 TYR 99 HB2 TYR 99 5.049 -7.289 3.984 733 HB3 TYR 99 3HB TYR 99 6.694 -7.557 3.419 734 HD1 TYR 99 HD1 TYR 99 3.477 -6.843 1.651 735 HD2 TYR 99 HD2 TYR 99 7.493 -5.652 2.396 736 HE1 TYR 99 HE1 TYR 99 3.221 -4.996 0.046 737 HE2 TYR 99 HE2 TYR 99 7.248 -3.801 0.794 738 HH TYR 99 HH TYR 99 5.708 -2.559 -0.363 739 H ALA 100 H ALA 100 7.721 -9.360 2.411 740 HA ALA 100 HA ALA 100 8.281 -8.874 -0.263 741 HB1 ALA 100 HB1 ALA 100 9.760 -9.563 1.901 742 HB2 ALA 100 HB2 ALA 100 9.845 -11.044 0.947 743 HB3 ALA 100 HB3 ALA 100 10.372 -9.513 0.248 744 H LYS 101 H LYS 101 6.998 -11.744 1.282 745 HA LYS 101 HA LYS 101 7.333 -13.453 -0.988 746 HB2 LYS 101 HB2 LYS 101 5.347 -13.890 1.232 747 HB3 LYS 101 HB3 LYS 101 6.180 -15.095 0.260 748 HG2 LYS 101 HG2 LYS 101 8.272 -13.826 1.436 749 HG3 LYS 101 HG3 LYS 101 7.038 -13.710 2.692 750 HD2 LYS 101 HD2 LYS 101 6.923 -15.985 2.979 751 HD3 LYS 101 HD3 LYS 101 7.442 -16.327 1.327 752 HE2 LYS 101 HE2 LYS 101 9.607 -15.023 2.468 753 HE3 LYS 101 HE3 LYS 101 9.010 -16.069 3.754 754 HZ1 LYS 101 HZ1 LYS 101 9.802 -16.900 1.017 755 HZ2 LYS 101 HZ2 LYS 101 9.092 -17.929 2.156 756 HZ3 LYS 101 HZ3 LYS 101 10.614 -17.255 2.458 757 H LEU 102 H LEU 102 4.581 -11.703 0.421 758 HA LEU 102 HA LEU 102 2.650 -12.550 -1.431 759 HB2 LEU 102 HB2 LEU 102 2.896 -10.474 0.613 760 HB3 LEU 102 3HB LEU 102 1.830 -10.036 -0.720 761 HG LEU 102 HG LEU 102 1.545 -12.497 1.003 762 HD11 LEU 102 HD11 LEU 102 -0.455 -10.316 1.012 763 HD12 LEU 102 HD12 LEU 102 1.059 -10.023 1.865 764 HD13 LEU 102 HD13 LEU 102 0.053 -11.401 2.307 765 HD21 LEU 102 HD21 LEU 102 -0.073 -13.202 -0.367 766 HD22 LEU 102 HD22 LEU 102 0.635 -12.105 -1.554 767 HD23 LEU 102 HD23 LEU 102 -0.733 -11.579 -0.571 768 H MET 103 H MET 103 5.286 -10.427 -1.785 769 HA MET 103 HA MET 103 4.362 -8.594 -3.669 770 HB2 MET 103 HB2 MET 103 6.568 -8.465 -2.567 771 HB3 MET 103 HB3 MET 103 7.109 -9.848 -3.510 772 HG2 MET 103 HG2 MET 103 6.316 -8.261 -5.504 773 HG3 MET 103 HG3 MET 103 6.734 -7.034 -4.310 774 HE1 MET 103 HE1 MET 103 8.171 -9.529 -6.983 775 HE2 MET 103 HE2 MET 103 9.603 -10.125 -6.144 776 HE3 MET 103 HE3 MET 103 7.996 -10.486 -5.512 777 H ASN 104 H ASN 104 6.299 -11.497 -4.419 778 HA ASN 104 HA ASN 104 5.909 -11.503 -7.151 779 HB2 ASN 104 HB2 ASN 104 7.535 -12.964 -6.107 780 HB3 ASN 104 3HB ASN 104 6.260 -13.857 -5.284 781 HD21 ASN 104 HD21 ASN 104 4.813 -15.123 -6.565 782 HD22 ASN 104 HD22 ASN 104 5.332 -15.757 -8.086 783 H GLN 105 H GLN 105 3.779 -12.619 -4.615 784 HA GLN 105 HA GLN 105 2.028 -14.229 -6.025 785 HB2 GLN 105 HB2 GLN 105 2.090 -12.999 -3.493 786 HB3 GLN 105 HB3 GLN 105 0.555 -12.539 -4.219 787 HG2 GLN 105 HG2 GLN 105 1.535 -15.376 -4.030 788 HG3 GLN 105 HG3 GLN 105 0.490 -14.610 -2.834 789 HE21 GLN 105 HE21 GLN 105 -1.324 -13.277 -4.195 790 HE22 GLN 105 HE22 GLN 105 -2.228 -14.304 -5.248 791 H TYR 106 H TYR 106 1.900 -10.700 -5.605 792 HA TYR 106 HA TYR 106 0.022 -10.592 -7.874 793 HB2 TYR 106 HB2 TYR 106 -0.624 -8.332 -6.861 794 HB3 TYR 106 3HB TYR 106 -1.163 -9.773 -6.007 795 HD1 TYR 106 HD1 TYR 106 1.882 -7.594 -6.045 796 HD2 TYR 106 HD2 TYR 106 -1.018 -9.660 -3.716 797 HE1 TYR 106 HE1 TYR 106 2.956 -6.771 -3.990 798 HE2 TYR 106 HE2 TYR 106 0.046 -8.842 -1.656 799 HH TYR 106 HH TYR 106 3.079 -7.074 -1.730 800 H ARG 107 H ARG 107 2.960 -10.622 -7.942 801 HA ARG 107 HA ARG 107 3.754 -7.925 -8.611 802 HB2 ARG 107 HB2 ARG 107 5.429 -9.283 -7.586 803 HB3 ARG 107 HB3 ARG 107 5.169 -10.586 -8.738 804 HG2 ARG 107 HG2 ARG 107 5.869 -8.203 -10.151 805 HG3 ARG 107 HG3 ARG 107 7.046 -8.499 -8.870 806 HD2 ARG 107 HD2 ARG 107 7.403 -10.757 -9.687 807 HD3 ARG 107 HD3 ARG 107 6.167 -10.525 -10.924 808 HE ARG 107 HE ARG 107 8.105 -8.531 -11.228 809 HH11 ARG 107 HH11 ARG 107 7.782 -11.983 -11.544 810 HH12 ARG 107 HH12 ARG 107 8.994 -12.116 -12.775 811 HH21 ARG 107 HH21 ARG 107 9.703 -8.692 -12.849 812 HH22 ARG 107 HH22 ARG 107 10.086 -10.243 -13.515 813 H GLY 108 H GLY 108 3.578 -7.009 -10.549 814 HA2 GLY 108 HA1 GLY 108 4.184 -7.925 -13.008 815 HA3 GLY 108 HA2 GLY 108 2.562 -8.563 -12.773 816 H ILE 109 H ILE 109 2.007 -6.085 -11.074 817 HA ILE 109 HA ILE 109 1.420 -4.318 -13.351 818 HB ILE 109 HB ILE 109 -0.297 -3.323 -11.732 819 HG12 ILE 109 HG12 ILE 109 0.878 -4.786 -9.840 820 HG13 ILE 109 HG13 ILE 109 -0.837 -4.391 -9.776 821 HG21 ILE 109 HG21 ILE 109 -0.484 -6.038 -12.983 822 HG22 ILE 109 HG22 ILE 109 -1.864 -5.327 -12.149 823 HG23 ILE 109 HG23 ILE 109 -1.158 -4.506 -13.540 824 HD11 ILE 109 HD11 ILE 109 0.241 -6.939 -10.950 825 HD12 ILE 109 HD12 ILE 109 -0.278 -6.766 -9.272 826 HD13 ILE 109 HD13 ILE 109 -1.438 -6.543 -10.582 827 H TYR 110 H TYR 110 2.755 -4.449 -10.111 828 HA TYR 110 HA TYR 110 3.704 -1.681 -10.456 829 HB2 TYR 110 HB2 TYR 110 3.272 -1.165 -8.255 830 HB3 TYR 110 3HB TYR 110 1.960 -2.295 -8.567 831 HD1 TYR 110 HD1 TYR 110 2.566 -4.830 -8.060 832 HD2 TYR 110 HD2 TYR 110 4.541 -1.471 -6.352 833 HE1 TYR 110 HE1 TYR 110 3.327 -6.236 -6.191 834 HE2 TYR 110 HE2 TYR 110 5.308 -2.867 -4.478 835 HH TYR 110 HH TYR 110 4.311 -5.178 -3.377 836 H SER 111 H SER 111 5.605 -1.329 -8.766 837 HA SER 111 HA SER 111 7.365 -3.649 -8.641 838 HB2 SER 111 HB2 SER 111 8.792 -1.299 -9.645 839 HB3 SER 111 3HB SER 111 8.867 -2.977 -10.183 840 HG SER 111 HG SER 111 7.918 -2.053 -11.863 841 H PHE 112 H PHE 112 9.019 -3.471 -7.111 842 HA PHE 112 HA PHE 112 9.367 -1.016 -5.628 843 HB2 PHE 112 HB2 PHE 112 7.486 -2.967 -4.730 844 HB3 PHE 112 3HB PHE 112 8.855 -2.972 -3.623 845 HD1 PHE 112 HD1 PHE 112 9.412 -0.995 -2.322 846 HD2 PHE 112 HD2 PHE 112 6.034 -1.064 -4.910 847 HE1 PHE 112 HE1 PHE 112 8.529 1.018 -1.216 848 HE2 PHE 112 HE2 PHE 112 5.146 0.950 -3.809 849 HZ PHE 112 HZ PHE 112 6.394 1.993 -1.960 850 H GLU 113 H GLU 113 10.911 -1.440 -3.712 851 HA GLU 113 HA GLU 113 13.210 -2.779 -4.776 852 HB2 GLU 113 HB2 GLU 113 12.773 -0.716 -2.959 853 HB3 GLU 113 HB3 GLU 113 13.423 -2.021 -1.978 854 HG2 GLU 113 HG2 GLU 113 15.192 -2.156 -3.917 855 HG3 GLU 113 HG3 GLU 113 14.695 -0.484 -4.178 856 H LYS 114 H LYS 114 14.490 -3.884 -2.656 857 HA LYS 114 HA LYS 114 12.935 -6.322 -2.240 858 HB2 LYS 114 HB2 LYS 114 15.124 -6.694 -3.138 859 HB3 LYS 114 HB3 LYS 114 15.866 -5.682 -1.904 860 HG2 LYS 114 HG2 LYS 114 15.962 -7.354 -0.428 861 HG3 LYS 114 HG3 LYS 114 14.338 -7.922 -0.821 862 HD2 LYS 114 HD2 LYS 114 15.123 -9.509 -2.188 863 HD3 LYS 114 HD3 LYS 114 16.236 -8.388 -2.976 864 HE2 LYS 114 HE2 LYS 114 17.548 -10.089 -1.951 865 HE3 LYS 114 HE3 LYS 114 17.739 -8.628 -0.984 866 HZ1 LYS 114 HZ1 LYS 114 17.128 -9.823 0.760 867 HZ2 LYS 114 HZ2 LYS 114 16.758 -11.165 -0.201 868 HZ3 LYS 114 HZ3 LYS 114 15.583 -9.981 0.087 869 H VAL 115 H VAL 115 11.839 -6.568 -0.418 870 HA VAL 115 HA VAL 115 12.720 -5.117 1.982 871 HB VAL 115 HB VAL 115 10.374 -5.818 2.811 872 HG11 VAL 115 HG11 VAL 115 9.342 -3.892 1.515 873 HG12 VAL 115 HG12 VAL 115 10.811 -3.535 2.424 874 HG13 VAL 115 HG13 VAL 115 10.887 -3.765 0.677 875 HG21 VAL 115 HG21 VAL 115 9.491 -5.795 0.001 876 HG22 VAL 115 HG22 VAL 115 10.295 -7.270 0.537 877 HG23 VAL 115 HG23 VAL 115 8.860 -6.691 1.383 878 H LYS 116 H LYS 116 13.167 -6.155 3.871 879 HA LYS 116 HA LYS 116 13.315 -9.088 3.731 880 HB2 LYS 116 HB2 LYS 116 14.840 -7.094 5.410 881 HB3 LYS 116 HB3 LYS 116 14.958 -8.836 5.620 882 HG2 LYS 116 HG2 LYS 116 15.402 -8.415 2.905 883 HG3 LYS 116 HG3 LYS 116 16.277 -7.117 3.721 884 HD2 LYS 116 HD2 LYS 116 16.504 -10.017 4.506 885 HD3 LYS 116 HD3 LYS 116 17.584 -9.239 3.347 886 HE2 LYS 116 HE2 LYS 116 17.372 -7.628 5.708 887 HE3 LYS 116 HE3 LYS 116 17.792 -9.281 6.155 888 HZ1 LYS 116 HZ1 LYS 116 19.320 -8.517 3.924 889 HZ2 LYS 116 HZ2 LYS 116 19.853 -8.920 5.477 890 HZ3 LYS 116 HZ3 LYS 116 19.464 -7.316 5.107 891 H ALA 117 H ALA 117 13.251 -6.909 6.527 892 HA ALA 117 HA ALA 117 10.648 -7.365 7.380 893 HB1 ALA 117 HB1 ALA 117 12.042 -9.047 9.252 894 HB2 ALA 117 HB2 ALA 117 10.582 -9.376 8.319 895 HB3 ALA 117 HB3 ALA 117 12.167 -9.698 7.618 896 H HIS 118 H HIS 118 10.653 -5.358 8.241 897 HA HIS 118 HA HIS 118 11.660 -4.934 10.824 898 HB2 HIS 118 HB2 HIS 118 13.758 -4.765 9.248 899 HB3 HIS 118 3HB HIS 118 13.116 -3.163 8.898 900 HD1 HIS 118 HD1 HIS 118 14.317 -1.492 10.249 901 HD2 HIS 118 HD2 HIS 118 13.702 -5.015 12.362 902 HE1 HIS 118 HE1 HIS 118 15.283 -1.082 12.533 903 H SER 119 H SER 119 11.477 -2.540 11.452 904 HA SER 119 HA SER 119 9.325 -1.270 9.889 905 HB2 SER 119 HB2 SER 119 9.096 -2.357 12.467 906 HB3 SER 119 3HB SER 119 9.180 -0.611 12.704 907 HG SER 119 HG SER 119 7.170 -0.607 12.118 908 H GLY 120 H GLY 120 9.023 1.049 11.286 909 HA2 GLY 120 HA1 GLY 120 11.639 2.269 11.660 910 HA3 GLY 120 HA2 GLY 120 10.716 2.850 10.283 911 H ASN 121 H ASN 121 10.370 4.914 11.001 912 HA ASN 121 HA ASN 121 8.722 5.168 13.430 913 HB2 ASN 121 HB2 ASN 121 9.978 7.656 12.759 914 HB3 ASN 121 3HB ASN 121 10.143 6.700 14.229 915 HD21 ASN 121 HD21 ASN 121 11.285 6.848 10.883 916 HD22 ASN 121 HD22 ASN 121 12.888 6.304 11.223 917 H GLU 122 H GLU 122 9.561 7.475 10.868 918 HA GLU 122 HA GLU 122 6.681 7.831 10.374 919 HB2 GLU 122 HB2 GLU 122 7.263 10.090 9.567 920 HB3 GLU 122 HB3 GLU 122 7.731 9.837 11.243 921 HG2 GLU 122 HG2 GLU 122 10.044 9.343 10.431 922 HG3 GLU 122 HG3 GLU 122 9.518 9.853 8.827 923 H PHE 123 H PHE 123 8.963 6.072 9.137 924 HA PHE 123 HA PHE 123 9.492 6.749 6.536 925 HB2 PHE 123 HB2 PHE 123 9.661 4.347 6.061 926 HB3 PHE 123 3HB PHE 123 10.391 4.739 7.615 927 HD1 PHE 123 HD1 PHE 123 9.110 4.246 9.716 928 HD2 PHE 123 HD2 PHE 123 7.906 2.801 5.897 929 HE1 PHE 123 HE1 PHE 123 7.704 2.546 10.806 930 HE2 PHE 123 HE2 PHE 123 6.499 1.100 6.980 931 HZ PHE 123 HZ PHE 123 6.396 0.971 9.437 932 H ASN 124 H ASN 124 6.570 5.177 7.785 933 HA ASN 124 HA ASN 124 5.322 4.996 5.217 934 HB2 ASN 124 HB2 ASN 124 3.350 4.259 6.441 935 HB3 ASN 124 3HB ASN 124 4.781 3.451 7.073 936 HD21 ASN 124 HD21 ASN 124 2.231 5.676 7.713 937 HD22 ASN 124 HD22 ASN 124 2.546 5.885 9.399 938 H ASP 125 H ASP 125 5.116 7.213 7.957 939 HA ASP 125 HA ASP 125 2.932 8.737 7.182 940 HB2 ASP 125 HB2 ASP 125 5.424 9.398 8.729 941 HB3 ASP 125 3HB ASP 125 4.216 10.635 8.394 942 H TYR 126 H TYR 126 6.111 8.598 5.837 943 HA TYR 126 HA TYR 126 6.384 11.068 4.630 944 HB2 TYR 126 HB2 TYR 126 8.233 9.640 4.453 945 HB3 TYR 126 3HB TYR 126 7.266 8.310 3.824 946 HD1 TYR 126 HD1 TYR 126 6.442 8.405 1.465 947 HD2 TYR 126 HD2 TYR 126 9.220 11.237 3.002 948 HE1 TYR 126 HE1 TYR 126 7.054 9.041 -0.832 949 HE2 TYR 126 HE2 TYR 126 9.840 11.881 0.710 950 HH TYR 126 HH TYR 126 8.419 11.700 -1.700 951 H VAL 127 H VAL 127 4.488 8.284 3.594 952 HA VAL 127 HA VAL 127 3.819 9.087 1.018 953 HB VAL 127 HB VAL 127 1.879 7.646 1.182 954 HG11 VAL 127 HG11 VAL 127 4.113 6.620 0.989 955 HG12 VAL 127 HG12 VAL 127 4.172 6.466 2.745 956 HG13 VAL 127 HG13 VAL 127 2.959 5.579 1.822 957 HG21 VAL 127 HG21 VAL 127 0.697 7.551 3.058 958 HG22 VAL 127 HG22 VAL 127 2.011 6.650 3.816 959 HG23 VAL 127 HG23 VAL 127 1.964 8.409 3.935 960 H ASP 128 H ASP 128 2.831 10.375 4.047 961 HA ASP 128 HA ASP 128 0.358 11.512 3.320 962 HB2 ASP 128 HB2 ASP 128 1.555 11.273 5.657 963 HB3 ASP 128 3HB ASP 128 2.161 12.883 5.275 964 H MET 129 H MET 129 3.643 12.880 3.336 965 HA MET 129 HA MET 129 2.861 15.398 2.285 966 HB2 MET 129 HB2 MET 129 5.034 14.722 3.538 967 HB3 MET 129 HB3 MET 129 5.613 14.244 1.947 968 HG2 MET 129 HG2 MET 129 5.599 16.418 1.146 969 HG3 MET 129 HG3 MET 129 4.483 16.973 2.392 970 HE1 MET 129 HE1 MET 129 8.785 15.727 3.465 971 HE2 MET 129 HE2 MET 129 7.406 14.634 3.554 972 HE3 MET 129 HE3 MET 129 7.953 15.237 1.989 973 H LYS 130 H LYS 130 4.225 12.475 0.813 974 HA LYS 130 HA LYS 130 4.465 13.479 -1.801 975 HB2 LYS 130 HB2 LYS 130 5.014 11.077 -0.512 976 HB3 LYS 130 HB3 LYS 130 3.796 10.648 -1.706 977 HG2 LYS 130 HG2 LYS 130 6.353 12.118 -2.314 978 HG3 LYS 130 HG3 LYS 130 6.105 10.383 -2.526 979 HD2 LYS 130 HD2 LYS 130 5.579 11.033 -4.634 980 HD3 LYS 130 HD3 LYS 130 3.994 11.291 -3.901 981 HE2 LYS 130 HE2 LYS 130 4.235 13.581 -3.865 982 HE3 LYS 130 HE3 LYS 130 5.997 13.501 -3.852 983 HZ1 LYS 130 HZ1 LYS 130 4.885 12.384 -6.233 984 HZ2 LYS 130 HZ2 LYS 130 6.061 13.586 -6.057 985 HZ3 LYS 130 HZ3 LYS 130 4.420 13.997 -6.025 986 H ALA 131 H ALA 131 1.892 11.483 -0.351 987 HA ALA 131 HA ALA 131 0.192 11.344 -2.530 988 HB1 ALA 131 HB1 ALA 131 -0.354 11.352 0.422 989 HB2 ALA 131 HB2 ALA 131 -1.642 11.154 -0.767 990 HB3 ALA 131 HB3 ALA 131 -0.324 9.984 -0.691 991 H LYS 132 H LYS 132 0.674 13.956 -0.241 992 HA LYS 132 HA LYS 132 -1.571 15.503 -0.680 993 HB2 LYS 132 HB2 LYS 132 0.966 15.847 0.527 994 HB3 LYS 132 HB3 LYS 132 0.729 17.214 -0.554 995 HG2 LYS 132 HG2 LYS 132 -1.658 17.213 0.630 996 HG3 LYS 132 HG3 LYS 132 -0.707 16.478 1.922 997 HD2 LYS 132 HD2 LYS 132 0.913 18.399 1.653 998 HD3 LYS 132 HD3 LYS 132 -0.290 19.157 0.608 999 HE2 LYS 132 HE2 LYS 132 -1.893 18.705 2.622 1000 HE3 LYS 132 HE3 LYS 132 -0.392 18.609 3.544 1001 HZ1 LYS 132 HZ1 LYS 132 0.164 20.833 2.534 1002 HZ2 LYS 132 HZ2 LYS 132 -1.092 20.832 3.666 1003 HZ3 LYS 132 HZ3 LYS 132 -1.444 20.915 2.013 1004 H SER 133 H SER 133 1.233 15.044 -2.718 1005 HA SER 133 HA SER 133 0.636 17.211 -4.494 1006 HB2 SER 133 HB2 SER 133 2.454 16.408 -5.828 1007 HB3 SER 133 3HB SER 133 2.928 16.200 -4.141 1008 HG SER 133 HG SER 133 2.004 14.226 -5.951 1009 H ALA 134 H ALA 134 -0.175 13.820 -4.310 1010 HA ALA 134 HA ALA 134 -0.994 13.316 -6.913 1011 HB1 ALA 134 HB1 ALA 134 -2.364 11.540 -6.001 1012 HB2 ALA 134 HB2 ALA 134 -0.818 11.604 -5.154 1013 HB3 ALA 134 HB3 ALA 134 -2.267 12.259 -4.392 1014 H LEU 135 H LEU 135 -2.796 14.783 -4.240 1015 HA LEU 135 HA LEU 135 -5.248 15.010 -5.649 1016 HB2 LEU 135 HB2 LEU 135 -5.490 15.111 -3.354 1017 HB3 LEU 135 3HB LEU 135 -4.117 16.198 -3.155 1018 HG LEU 135 HG LEU 135 -6.505 17.248 -4.574 1019 HD11 LEU 135 HD11 LEU 135 -7.102 17.890 -2.008 1020 HD12 LEU 135 HD12 LEU 135 -6.538 16.230 -1.823 1021 HD13 LEU 135 HD13 LEU 135 -7.870 16.591 -2.920 1022 HD21 LEU 135 HD21 LEU 135 -4.110 18.244 -3.441 1023 HD22 LEU 135 HD22 LEU 135 -5.455 18.908 -2.513 1024 HD23 LEU 135 HD23 LEU 135 -5.391 19.139 -4.261 1025 H GLY 136 H GLY 136 -2.654 17.347 -4.948 1026 HA2 GLY 136 HA1 GLY 136 -2.040 18.757 -6.922 1027 HA3 GLY 136 HA2 GLY 136 -3.764 19.049 -7.094 1028 H ILE 137 H ILE 137 -2.180 18.905 -3.981 1029 HA ILE 137 HA ILE 137 -3.252 21.255 -3.003 1030 HB ILE 137 HB ILE 137 -0.633 19.975 -2.212 1031 HG12 ILE 137 HG12 ILE 137 -2.682 18.530 -2.076 1032 HG13 ILE 137 HG13 ILE 137 -1.890 18.806 -0.529 1033 HG21 ILE 137 HG21 ILE 137 -0.475 22.032 -1.206 1034 HG22 ILE 137 HG22 ILE 137 -2.222 22.214 -1.056 1035 HG23 ILE 137 HG23 ILE 137 -1.354 21.129 0.029 1036 HD11 ILE 137 HD11 ILE 137 -3.556 20.483 0.036 1037 HD12 ILE 137 HD12 ILE 137 -4.340 20.240 -1.525 1038 HD13 ILE 137 HD13 ILE 137 -4.311 18.935 -0.340 1039 H ARG 138 H ARG 138 -2.577 23.370 -2.842 1040 HA ARG 138 HA ARG 138 -0.428 24.146 -4.694 1041 HB2 ARG 138 HB2 ARG 138 -1.582 26.421 -4.578 1042 HB3 ARG 138 HB3 ARG 138 -2.432 25.139 -5.429 1043 HG2 ARG 138 HG2 ARG 138 -3.098 25.292 -2.594 1044 HG3 ARG 138 HG3 ARG 138 -3.498 26.753 -3.500 1045 HD2 ARG 138 HD2 ARG 138 -4.940 25.611 -4.936 1046 HD3 ARG 138 HD3 ARG 138 -4.246 24.041 -4.532 1047 HE ARG 138 HE ARG 138 -5.330 25.000 -2.192 1048 HH11 ARG 138 HH11 ARG 138 -6.486 24.234 -5.386 1049 HH12 ARG 138 HH12 ARG 138 -8.076 23.804 -4.849 1050 HH21 ARG 138 HH21 ARG 138 -7.419 24.436 -1.472 1051 HH22 ARG 138 HH22 ARG 138 -8.606 23.920 -2.623 1052 H ASP 139 H ASP 139 0.904 25.986 -4.100 1053 HA ASP 139 HA ASP 139 0.964 27.155 -1.562 1054 HB2 ASP 139 HB2 ASP 139 1.792 24.502 -1.435 1055 HB3 ASP 139 3HB ASP 139 3.297 25.415 -1.485 1056 H LEU 140 H LEU 140 3.602 27.621 -1.114 1057 HA LEU 140 HA LEU 140 5.105 28.139 -3.467 1058 HB2 LEU 140 HB2 LEU 140 3.208 30.162 -2.556 1059 HB3 LEU 140 3HB LEU 140 4.857 30.764 -2.702 1060 HG LEU 140 HG LEU 140 3.905 29.236 -5.022 1061 HD11 LEU 140 HD11 LEU 140 1.839 30.414 -4.320 1062 HD12 LEU 140 HD12 LEU 140 2.462 30.951 -5.880 1063 HD13 LEU 140 HD13 LEU 140 2.712 31.942 -4.443 1064 HD21 LEU 140 HD21 LEU 140 5.968 30.301 -5.264 1065 HD22 LEU 140 HD22 LEU 140 5.400 31.782 -4.494 1066 HD23 LEU 140 HD23 LEU 140 4.841 31.360 -6.113 1067 H GLU 141 H GLU 141 6.692 27.145 -2.182 1068 HA GLU 141 HA GLU 141 8.403 28.868 -0.797 1069 HB2 GLU 141 HB2 GLU 141 6.273 27.819 0.813 1070 HB3 GLU 141 HB3 GLU 141 7.799 27.148 1.368 1071 HG2 GLU 141 HG2 GLU 141 8.477 29.745 1.095 1072 HG3 GLU 141 HG3 GLU 141 6.772 29.893 1.521 1073 H HIS 142 H HIS 142 9.973 27.414 0.677 1074 HA HIS 142 HA HIS 142 10.298 24.710 -0.196 1075 HB2 HIS 142 HB2 HIS 142 12.441 25.024 -1.365 1076 HB3 HIS 142 3HB HIS 142 11.122 25.838 -2.203 1077 HD1 HIS 142 HD1 HIS 142 11.580 28.182 -2.847 1078 HD2 HIS 142 HD2 HIS 142 13.984 26.947 0.310 1079 HE1 HIS 142 HE1 HIS 142 13.142 30.101 -2.400 1080 H HIS 143 H HIS 143 12.576 23.904 0.527 1081 HA HIS 143 HA HIS 143 13.830 25.334 2.663 1082 HB2 HIS 143 HB2 HIS 143 11.896 24.635 3.917 1083 HB3 HIS 143 3HB HIS 143 12.049 22.983 3.325 1084 HD1 HIS 143 HD1 HIS 143 15.035 24.877 4.568 1085 HD2 HIS 143 HD2 HIS 143 12.425 21.918 5.871 1086 HE1 HIS 143 HE1 HIS 143 16.071 23.939 6.659 1087 H HIS 144 H HIS 144 13.267 21.853 2.203 1088 HA HIS 144 HA HIS 144 14.675 20.128 1.731 1089 HB2 HIS 144 HB2 HIS 144 15.288 22.111 -0.117 1090 HB3 HIS 144 3HB HIS 144 16.855 21.649 0.540 1091 HD1 HIS 144 HD1 HIS 144 13.943 20.259 -1.384 1092 HD2 HIS 144 HD2 HIS 144 17.774 19.147 -0.224 1093 HE1 HIS 144 HE1 HIS 144 14.455 18.164 -2.677 1094 H HIS 145 H HIS 145 16.884 19.247 2.186 1095 HA HIS 145 HA HIS 145 18.738 20.644 3.783 1096 HB2 HIS 145 HB2 HIS 145 16.461 19.977 5.212 1097 HB3 HIS 145 3HB HIS 145 17.581 18.674 5.600 1098 HD1 HIS 145 HD1 HIS 145 18.865 19.159 7.642 1099 HD2 HIS 145 HD2 HIS 145 17.987 22.626 5.528 1100 HE1 HIS 145 HE1 HIS 145 19.864 21.035 8.985 1101 H HIS 146 H HIS 146 19.865 18.703 5.294 1102 HA HIS 146 HA HIS 146 20.193 16.364 3.560 1103 HB2 HIS 146 HB2 HIS 146 22.375 18.240 4.451 1104 HB3 HIS 146 3HB HIS 146 22.714 16.576 3.985 1105 HD1 HIS 146 HD1 HIS 146 21.117 19.689 2.500 1106 HD2 HIS 146 HD2 HIS 146 23.115 16.241 1.323 1107 HE1 HIS 146 HE1 HIS 146 21.463 19.926 0.020 1108 H HIS 147 H HIS 147 21.922 17.606 6.411 1109 HA HIS 147 HA HIS 147 22.266 16.737 8.485 1110 HB2 HIS 147 HB2 HIS 147 19.703 16.798 8.418 1111 HB3 HIS 147 3HB HIS 147 19.786 15.069 8.099 1112 HD1 HIS 147 HD1 HIS 147 18.488 16.248 10.672 1113 HD2 HIS 147 HD2 HIS 147 22.388 14.843 10.400 1114 HE1 HIS 147 HE1 HIS 147 19.148 15.638 13.021 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -8.968 4.441 -18.390 2 HA MET 1 HA MET 1 -9.187 1.761 -17.289 3 HB2 MET 1 HB2 MET 1 -9.622 1.702 -19.822 4 HB3 MET 1 HB3 MET 1 -7.919 2.099 -19.998 5 HG2 MET 1 HG2 MET 1 -7.261 0.079 -18.917 6 HG3 MET 1 HG3 MET 1 -8.926 -0.282 -18.465 7 HE1 MET 1 HE1 MET 1 -8.871 -3.070 -20.357 8 HE2 MET 1 HE2 MET 1 -7.217 -2.745 -20.872 9 HE3 MET 1 HE3 MET 1 -7.716 -2.378 -19.219 10 H ASP 2 H ASP 2 -6.889 3.731 -19.182 11 HA ASP 2 HA ASP 2 -4.661 2.847 -17.612 12 HB2 ASP 2 HB2 ASP 2 -4.971 4.940 -19.762 13 HB3 ASP 2 3HB ASP 2 -3.442 4.651 -18.938 14 H ASP 3 H ASP 3 -3.094 4.839 -16.979 15 HA ASP 3 HA ASP 3 -4.645 6.788 -15.432 16 HB2 ASP 3 HB2 ASP 3 -3.622 6.298 -13.401 17 HB3 ASP 3 3HB ASP 3 -3.863 4.696 -14.092 18 H ARG 4 H ARG 4 -2.627 8.072 -14.132 19 HA ARG 4 HA ARG 4 -0.466 8.676 -15.942 20 HB2 ARG 4 HB2 ARG 4 -1.040 10.897 -16.488 21 HB3 ARG 4 HB3 ARG 4 -2.500 9.963 -16.788 22 HG2 ARG 4 HG2 ARG 4 -3.254 10.656 -14.471 23 HG3 ARG 4 HG3 ARG 4 -1.915 11.805 -14.493 24 HD2 ARG 4 HD2 ARG 4 -2.819 12.829 -16.516 25 HD3 ARG 4 HD3 ARG 4 -4.145 11.667 -16.519 26 HE ARG 4 HE ARG 4 -4.337 12.844 -14.084 27 HH11 ARG 4 HH11 ARG 4 -4.178 14.053 -17.345 28 HH12 ARG 4 HH12 ARG 4 -5.126 15.463 -17.007 29 HH21 ARG 4 HH21 ARG 4 -5.587 14.696 -13.627 30 HH22 ARG 4 HH22 ARG 4 -5.927 15.828 -14.891 31 H THR 5 H THR 5 -1.051 7.879 -13.104 32 HA THR 5 HA THR 5 -0.038 10.128 -11.566 33 HB THR 5 HB THR 5 -0.122 8.379 -9.668 34 HG1 THR 5 HG1 THR 5 -0.479 6.440 -10.473 35 HG21 THR 5 HG21 THR 5 -1.773 10.206 -10.036 36 HG22 THR 5 HG22 THR 5 -2.481 8.754 -9.326 37 HG23 THR 5 HG23 THR 5 -2.713 9.102 -11.039 38 H GLU 6 H GLU 6 1.916 10.130 -10.424 39 HA GLU 6 HA GLU 6 3.815 7.978 -10.941 40 HB2 GLU 6 HB2 GLU 6 4.171 10.830 -11.830 41 HB3 GLU 6 HB3 GLU 6 5.551 9.788 -11.518 42 HG2 GLU 6 HG2 GLU 6 4.689 8.195 -13.189 43 HG3 GLU 6 HG3 GLU 6 3.373 9.313 -13.539 44 H TYR 7 H TYR 7 2.338 9.271 -8.643 45 HA TYR 7 HA TYR 7 4.700 9.845 -6.976 46 HB2 TYR 7 HB2 TYR 7 1.918 10.906 -6.470 47 HB3 TYR 7 3HB TYR 7 3.410 11.377 -5.666 48 HD1 TYR 7 HD1 TYR 7 5.273 12.319 -7.320 49 HD2 TYR 7 HD2 TYR 7 1.093 12.296 -8.115 50 HE1 TYR 7 HE1 TYR 7 5.578 14.139 -8.947 51 HE2 TYR 7 HE2 TYR 7 1.386 14.115 -9.743 52 HH TYR 7 HH TYR 7 3.346 16.077 -9.976 53 H ASP 8 H ASP 8 4.545 9.188 -4.739 54 HA ASP 8 HA ASP 8 3.816 6.560 -4.355 55 HB2 ASP 8 HB2 ASP 8 5.340 7.677 -2.842 56 HB3 ASP 8 3HB ASP 8 4.066 8.768 -2.304 57 H VAL 9 H VAL 9 2.113 5.530 -3.234 58 HA VAL 9 HA VAL 9 -0.454 6.862 -3.591 59 HB VAL 9 HB VAL 9 0.258 3.998 -2.957 60 HG11 VAL 9 HG11 VAL 9 -1.797 4.477 -1.815 61 HG12 VAL 9 HG12 VAL 9 -2.455 5.284 -3.239 62 HG13 VAL 9 HG13 VAL 9 -2.170 3.542 -3.262 63 HG21 VAL 9 HG21 VAL 9 0.619 4.900 -5.285 64 HG22 VAL 9 HG22 VAL 9 -0.452 3.505 -5.165 65 HG23 VAL 9 HG23 VAL 9 -1.127 5.119 -5.383 66 H TYR 10 H TYR 10 -1.919 7.257 -1.973 67 HA TYR 10 HA TYR 10 -0.876 7.722 0.629 68 HB2 TYR 10 HB2 TYR 10 -2.594 9.177 -0.233 69 HB3 TYR 10 3HB TYR 10 -3.698 7.824 -0.449 70 HD1 TYR 10 HD1 TYR 10 -1.557 8.862 2.434 71 HD2 TYR 10 HD2 TYR 10 -5.487 8.101 0.989 72 HE1 TYR 10 HE1 TYR 10 -2.455 9.241 4.692 73 HE2 TYR 10 HE2 TYR 10 -6.395 8.480 3.243 74 HH TYR 10 HH TYR 10 -5.914 8.854 5.383 75 H THR 11 H THR 11 -0.139 5.580 1.179 76 HA THR 11 HA THR 11 -2.304 3.932 2.299 77 HB THR 11 HB THR 11 -0.932 1.901 1.796 78 HG1 THR 11 HG1 THR 11 0.476 3.582 -0.015 79 HG21 THR 11 HG21 THR 11 -2.508 1.816 0.205 80 HG22 THR 11 HG22 THR 11 -1.273 2.444 -0.888 81 HG23 THR 11 HG23 THR 11 -2.404 3.549 -0.104 82 H ASP 12 H ASP 12 -1.194 2.185 3.809 83 HA ASP 12 HA ASP 12 -0.105 1.773 5.763 84 HB2 ASP 12 HB2 ASP 12 1.962 3.841 5.097 85 HB3 ASP 12 3HB ASP 12 2.161 2.288 5.905 86 H GLY 13 H GLY 13 -1.316 2.478 7.414 87 HA2 GLY 13 HA1 GLY 13 -0.977 4.158 9.290 88 HA3 GLY 13 HA2 GLY 13 -1.255 5.361 8.040 89 H SER 14 H SER 14 -3.054 6.209 9.111 90 HA SER 14 HA SER 14 -5.278 6.462 9.518 91 HB2 SER 14 HB2 SER 14 -6.727 5.572 7.988 92 HB3 SER 14 3HB SER 14 -5.221 5.180 7.159 93 HG SER 14 HG SER 14 -6.985 3.474 7.692 94 H TYR 15 H TYR 15 -7.035 5.613 10.802 95 HA TYR 15 HA TYR 15 -7.051 3.055 11.957 96 HB2 TYR 15 HB2 TYR 15 -6.296 3.646 14.257 97 HB3 TYR 15 3HB TYR 15 -5.001 3.687 13.065 98 HD1 TYR 15 HD1 TYR 15 -7.315 5.820 15.020 99 HD2 TYR 15 HD2 TYR 15 -3.762 5.661 12.688 100 HE1 TYR 15 HE1 TYR 15 -6.774 8.121 15.699 101 HE2 TYR 15 HE2 TYR 15 -3.209 7.961 13.360 102 HH TYR 15 HH TYR 15 -4.114 9.448 15.744 103 H VAL 16 H VAL 16 -8.527 2.951 13.884 104 HA VAL 16 HA VAL 16 -10.340 5.239 14.100 105 HB VAL 16 HB VAL 16 -11.384 3.925 12.379 106 HG11 VAL 16 HG11 VAL 16 -10.152 1.805 13.029 107 HG12 VAL 16 HG12 VAL 16 -11.427 1.550 14.222 108 HG13 VAL 16 HG13 VAL 16 -11.824 1.613 12.505 109 HG21 VAL 16 HG21 VAL 16 -13.520 3.658 13.313 110 HG22 VAL 16 HG22 VAL 16 -12.870 3.210 14.890 111 HG23 VAL 16 HG23 VAL 16 -12.741 4.875 14.324 112 H ASN 17 H ASN 17 -10.412 5.671 16.200 113 HA ASN 17 HA ASN 17 -10.739 5.424 18.440 114 HB2 ASN 17 HB2 ASN 17 -12.529 3.778 17.599 115 HB3 ASN 17 3HB ASN 17 -11.370 2.512 17.996 116 HD21 ASN 17 HD21 ASN 17 -14.034 3.766 19.100 117 HD22 ASN 17 HD22 ASN 17 -13.765 3.728 20.806 118 H GLY 18 H GLY 18 -9.576 2.165 17.585 119 HA2 GLY 18 HA1 GLY 18 -6.905 2.685 18.464 120 HA3 GLY 18 HA2 GLY 18 -7.832 1.823 19.685 121 H GLN 19 H GLN 19 -8.494 1.318 16.313 122 HA GLN 19 HA GLN 19 -7.322 -1.371 16.545 123 HB2 GLN 19 HB2 GLN 19 -9.912 -0.509 15.763 124 HB3 GLN 19 HB3 GLN 19 -9.128 -1.180 14.338 125 HG2 GLN 19 HG2 GLN 19 -8.526 -3.027 16.265 126 HG3 GLN 19 HG3 GLN 19 -10.148 -2.508 16.722 127 HE21 GLN 19 HE21 GLN 19 -11.236 -1.985 14.250 128 HE22 GLN 19 HE22 GLN 19 -11.369 -3.458 13.358 129 H TYR 20 H TYR 20 -7.140 -2.236 14.055 130 HA TYR 20 HA TYR 20 -5.241 -0.366 12.815 131 HB2 TYR 20 HB2 TYR 20 -4.040 -2.202 11.999 132 HB3 TYR 20 3HB TYR 20 -4.549 -2.729 13.599 133 HD1 TYR 20 HD1 TYR 20 -6.750 -4.114 13.702 134 HD2 TYR 20 HD2 TYR 20 -4.465 -3.553 10.158 135 HE1 TYR 20 HE1 TYR 20 -7.800 -6.108 12.716 136 HE2 TYR 20 HE2 TYR 20 -5.509 -5.544 9.162 137 HH TYR 20 HH TYR 20 -7.358 -6.954 9.373 138 H ALA 21 H ALA 21 -5.497 0.325 10.763 139 HA ALA 21 HA ALA 21 -7.585 -0.903 9.107 140 HB1 ALA 21 HB1 ALA 21 -7.361 2.082 9.292 141 HB2 ALA 21 HB2 ALA 21 -8.681 1.106 8.645 142 HB3 ALA 21 HB3 ALA 21 -8.397 1.165 10.386 143 H TRP 22 H TRP 22 -7.467 -0.163 6.818 144 HA TRP 22 HA TRP 22 -4.853 0.848 6.000 145 HB2 TRP 22 HB2 TRP 22 -4.432 -0.985 4.480 146 HB3 TRP 22 3HB TRP 22 -4.665 -1.633 6.101 147 HD1 TRP 22 HD1 TRP 22 -6.096 -1.752 2.609 148 HE1 TRP 22 HE1 TRP 22 -8.012 -3.470 2.532 149 HE3 TRP 22 HE3 TRP 22 -6.588 -2.647 7.619 150 HZ2 TRP 22 HZ2 TRP 22 -9.532 -5.001 4.353 151 HZ3 TRP 22 HZ3 TRP 22 -8.298 -4.252 8.368 152 HH2 TRP 22 HH2 TRP 22 -9.738 -5.402 6.767 153 H ALA 23 H ALA 23 -5.006 2.202 4.322 154 HA ALA 23 HA ALA 23 -7.381 2.044 2.594 155 HB1 ALA 23 HB1 ALA 23 -7.925 4.259 2.830 156 HB2 ALA 23 HB2 ALA 23 -7.355 3.888 4.457 157 HB3 ALA 23 HB3 ALA 23 -6.295 4.722 3.320 158 H TYR 24 H TYR 24 -7.043 3.644 0.663 159 HA TYR 24 HA TYR 24 -4.335 4.035 -0.195 160 HB2 TYR 24 HB2 TYR 24 -4.833 2.558 -2.311 161 HB3 TYR 24 3HB TYR 24 -4.203 1.820 -0.842 162 HD1 TYR 24 HD1 TYR 24 -7.658 2.881 -1.786 163 HD2 TYR 24 HD2 TYR 24 -5.074 -0.318 -0.694 164 HE1 TYR 24 HE1 TYR 24 -9.584 1.350 -1.734 165 HE2 TYR 24 HE2 TYR 24 -6.992 -1.857 -0.641 166 HH TYR 24 HH TYR 24 -9.882 -1.181 -0.284 167 H ALA 25 H ALA 25 -4.315 4.762 -2.568 168 HA ALA 25 HA ALA 25 -6.725 6.388 -3.055 169 HB1 ALA 25 HB1 ALA 25 -3.819 6.988 -3.359 170 HB2 ALA 25 HB2 ALA 25 -4.985 7.802 -4.401 171 HB3 ALA 25 HB3 ALA 25 -5.104 7.966 -2.649 172 H PHE 26 H PHE 26 -7.824 5.993 -4.857 173 HA PHE 26 HA PHE 26 -6.508 4.434 -6.980 174 HB2 PHE 26 HB2 PHE 26 -9.310 4.467 -5.927 175 HB3 PHE 26 3HB PHE 26 -9.030 4.014 -7.606 176 HD1 PHE 26 HD1 PHE 26 -7.095 3.294 -4.505 177 HD2 PHE 26 HD2 PHE 26 -9.331 1.739 -7.775 178 HE1 PHE 26 HE1 PHE 26 -6.543 1.005 -3.789 179 HE2 PHE 26 HE2 PHE 26 -8.784 -0.553 -7.065 180 HZ PHE 26 HZ PHE 26 -7.389 -0.922 -5.069 181 H VAL 27 H VAL 27 -6.581 5.121 -9.075 182 HA VAL 27 HA VAL 27 -8.150 7.489 -9.748 183 HB VAL 27 HB VAL 27 -5.156 7.360 -9.792 184 HG11 VAL 27 HG11 VAL 27 -5.512 9.553 -11.237 185 HG12 VAL 27 HG12 VAL 27 -5.324 7.965 -11.984 186 HG13 VAL 27 HG13 VAL 27 -6.931 8.662 -11.784 187 HG21 VAL 27 HG21 VAL 27 -5.274 9.470 -8.740 188 HG22 VAL 27 HG22 VAL 27 -6.971 9.679 -9.176 189 HG23 VAL 27 HG23 VAL 27 -6.513 8.482 -7.964 190 H LYS 28 H LYS 28 -9.037 7.301 -11.701 191 HA LYS 28 HA LYS 28 -7.803 5.442 -13.627 192 HB2 LYS 28 HB2 LYS 28 -10.670 5.721 -12.786 193 HB3 LYS 28 HB3 LYS 28 -10.276 5.131 -14.395 194 HG2 LYS 28 HG2 LYS 28 -8.715 3.746 -12.423 195 HG3 LYS 28 HG3 LYS 28 -10.432 3.660 -12.024 196 HD2 LYS 28 HD2 LYS 28 -9.486 3.114 -14.813 197 HD3 LYS 28 HD3 LYS 28 -9.404 1.857 -13.575 198 HE2 LYS 28 HE2 LYS 28 -11.790 2.034 -13.196 199 HE3 LYS 28 HE3 LYS 28 -11.899 3.372 -14.338 200 HZ1 LYS 28 HZ1 LYS 28 -10.705 1.369 -15.756 201 HZ2 LYS 28 HZ2 LYS 28 -12.329 1.830 -15.859 202 HZ3 LYS 28 HZ3 LYS 28 -11.873 0.560 -14.839 203 H ASP 29 H ASP 29 -7.556 6.168 -15.664 204 HA ASP 29 HA ASP 29 -7.585 7.545 -17.478 205 HB2 ASP 29 HB2 ASP 29 -10.173 7.405 -16.810 206 HB3 ASP 29 3HB ASP 29 -9.911 9.121 -16.503 207 H GLY 30 H GLY 30 -6.648 8.358 -14.601 208 HA2 GLY 30 HA1 GLY 30 -5.115 10.054 -14.075 209 HA3 GLY 30 HA2 GLY 30 -5.702 10.980 -15.449 210 H LYS 31 H LYS 31 -7.932 9.610 -13.163 211 HA LYS 31 HA LYS 31 -8.159 12.092 -11.666 212 HB2 LYS 31 HB2 LYS 31 -10.672 12.112 -12.130 213 HB3 LYS 31 HB3 LYS 31 -9.617 12.695 -13.410 214 HG2 LYS 31 HG2 LYS 31 -9.766 10.414 -14.441 215 HG3 LYS 31 HG3 LYS 31 -11.016 10.038 -13.251 216 HD2 LYS 31 HD2 LYS 31 -12.323 10.756 -14.988 217 HD3 LYS 31 HD3 LYS 31 -12.063 12.288 -14.150 218 HE2 LYS 31 HE2 LYS 31 -11.045 13.146 -15.929 219 HE3 LYS 31 HE3 LYS 31 -9.913 11.796 -15.987 220 HZ1 LYS 31 HZ1 LYS 31 -12.645 11.463 -17.032 221 HZ2 LYS 31 HZ2 LYS 31 -11.229 10.643 -17.462 222 HZ3 LYS 31 HZ3 LYS 31 -11.474 12.235 -17.979 223 H VAL 32 H VAL 32 -9.738 11.903 -9.874 224 HA VAL 32 HA VAL 32 -9.337 9.546 -8.405 225 HB VAL 32 HB VAL 32 -11.519 11.583 -7.944 226 HG11 VAL 32 HG11 VAL 32 -11.105 10.898 -5.543 227 HG12 VAL 32 HG12 VAL 32 -11.895 9.698 -6.568 228 HG13 VAL 32 HG13 VAL 32 -10.180 9.542 -6.186 229 HG21 VAL 32 HG21 VAL 32 -8.650 11.851 -7.817 230 HG22 VAL 32 HG22 VAL 32 -9.903 13.077 -7.607 231 HG23 VAL 32 HG23 VAL 32 -9.379 12.105 -6.231 232 H HIS 33 H HIS 33 -10.244 7.621 -8.640 233 HA HIS 33 HA HIS 33 -12.889 7.447 -9.916 234 HB2 HIS 33 HB2 HIS 33 -10.773 6.268 -10.878 235 HB3 HIS 33 3HB HIS 33 -11.038 5.106 -9.582 236 HD1 HIS 33 HD1 HIS 33 -12.227 3.132 -10.444 237 HD2 HIS 33 HD2 HIS 33 -13.520 6.623 -12.288 238 HE1 HIS 33 HE1 HIS 33 -14.022 2.417 -12.052 239 H TYR 34 H TYR 34 -10.928 5.942 -7.354 240 HA TYR 34 HA TYR 34 -13.418 5.467 -5.859 241 HB2 TYR 34 HB2 TYR 34 -11.082 3.562 -6.118 242 HB3 TYR 34 3HB TYR 34 -12.448 3.338 -5.030 243 HD1 TYR 34 HD1 TYR 34 -14.650 4.246 -6.864 244 HD2 TYR 34 HD2 TYR 34 -11.309 1.701 -7.539 245 HE1 TYR 34 HE1 TYR 34 -15.891 3.101 -8.653 246 HE2 TYR 34 HE2 TYR 34 -12.540 0.550 -9.330 247 HH TYR 34 HH TYR 34 -14.449 0.396 -10.448 248 H GLU 35 H GLU 35 -12.983 5.061 -3.500 249 HA GLU 35 HA GLU 35 -10.586 5.762 -2.246 250 HB2 GLU 35 HB2 GLU 35 -11.331 8.038 -1.371 251 HB3 GLU 35 HB3 GLU 35 -10.758 7.976 -3.031 252 HG2 GLU 35 HG2 GLU 35 -13.087 7.916 -3.813 253 HG3 GLU 35 HG3 GLU 35 -13.631 8.048 -2.142 254 H ASP 36 H ASP 36 -10.898 4.458 -0.564 255 HA ASP 36 HA ASP 36 -12.647 5.083 1.527 256 HB2 ASP 36 HB2 ASP 36 -14.009 3.809 -0.524 257 HB3 ASP 36 3HB ASP 36 -13.651 2.503 0.604 258 H ALA 37 H ALA 37 -11.985 4.093 3.354 259 HA ALA 37 HA ALA 37 -9.900 2.050 3.071 260 HB1 ALA 37 HB1 ALA 37 -9.070 2.718 5.171 261 HB2 ALA 37 HB2 ALA 37 -9.488 4.213 4.332 262 HB3 ALA 37 HB3 ALA 37 -10.560 3.571 5.578 263 H ASP 38 H ASP 38 -9.822 0.586 5.156 264 HA ASP 38 HA ASP 38 -12.386 -0.193 6.198 265 HB2 ASP 38 HB2 ASP 38 -11.107 -1.690 3.969 266 HB3 ASP 38 3HB ASP 38 -11.817 -2.641 5.272 267 H VAL 39 H VAL 39 -12.228 -1.514 8.000 268 HA VAL 39 HA VAL 39 -9.480 -1.990 8.947 269 HB VAL 39 HB VAL 39 -10.288 -1.815 11.203 270 HG11 VAL 39 HG11 VAL 39 -10.099 0.393 11.076 271 HG12 VAL 39 HG12 VAL 39 -10.369 0.293 9.335 272 HG13 VAL 39 HG13 VAL 39 -11.733 0.526 10.428 273 HG21 VAL 39 HG21 VAL 39 -12.402 -2.834 11.161 274 HG22 VAL 39 HG22 VAL 39 -12.725 -1.145 11.559 275 HG23 VAL 39 HG23 VAL 39 -13.003 -1.733 9.920 276 H GLY 40 H GLY 40 -9.488 -3.786 10.732 277 HA2 GLY 40 HA1 GLY 40 -11.108 -6.056 9.758 278 HA3 GLY 40 HA2 GLY 40 -9.385 -6.220 10.063 279 H LYS 41 H LYS 41 -9.909 -7.926 11.537 280 HA LYS 41 HA LYS 41 -10.102 -7.030 14.231 281 HB2 LYS 41 HB2 LYS 41 -12.163 -8.252 14.835 282 HB3 LYS 41 HB3 LYS 41 -12.473 -6.915 13.736 283 HG2 LYS 41 HG2 LYS 41 -12.011 -9.531 12.468 284 HG3 LYS 41 HG3 LYS 41 -13.489 -9.381 13.423 285 HD2 LYS 41 HD2 LYS 41 -13.271 -7.026 11.892 286 HD3 LYS 41 HD3 LYS 41 -12.916 -8.370 10.805 287 HE2 LYS 41 HE2 LYS 41 -15.259 -8.563 12.640 288 HE3 LYS 41 HE3 LYS 41 -15.385 -7.560 11.195 289 HZ1 LYS 41 HZ1 LYS 41 -16.161 -9.741 10.684 290 HZ2 LYS 41 HZ2 LYS 41 -14.760 -10.460 11.302 291 HZ3 LYS 41 HZ3 LYS 41 -14.681 -9.526 9.893 292 H ASN 42 H ASN 42 -8.098 -8.374 13.128 293 HA ASN 42 HA ASN 42 -8.453 -11.170 13.989 294 HB2 ASN 42 HB2 ASN 42 -6.681 -9.930 11.895 295 HB3 ASN 42 3HB ASN 42 -6.313 -11.511 12.580 296 HD21 ASN 42 HD21 ASN 42 -7.063 -10.720 9.855 297 HD22 ASN 42 HD22 ASN 42 -8.456 -11.663 9.463 298 HA PRO 43 HA PRO 43 -5.537 -10.646 17.226 299 HB2 PRO 43 HB2 PRO 43 -4.259 -13.042 17.214 300 HB3 PRO 43 HB3 PRO 43 -5.922 -12.842 17.781 301 HG2 PRO 43 HG2 PRO 43 -4.929 -13.823 15.132 302 HG3 PRO 43 HG3 PRO 43 -6.245 -14.456 16.138 303 HD2 PRO 43 HD2 PRO 43 -6.689 -12.875 13.985 304 HD3 PRO 43 HD3 PRO 43 -7.735 -12.852 15.418 305 H ALA 44 H ALA 44 -4.057 -12.240 14.396 306 HA ALA 44 HA ALA 44 -1.419 -11.408 14.972 307 HB1 ALA 44 HB1 ALA 44 -1.814 -13.297 13.535 308 HB2 ALA 44 HB2 ALA 44 -2.668 -12.281 12.372 309 HB3 ALA 44 HB3 ALA 44 -0.938 -12.059 12.633 310 H ALA 45 H ALA 45 -4.097 -9.845 13.430 311 HA ALA 45 HA ALA 45 -2.373 -7.712 12.397 312 HB1 ALA 45 HB1 ALA 45 -4.232 -8.820 11.019 313 HB2 ALA 45 HB2 ALA 45 -5.342 -7.865 12.002 314 HB3 ALA 45 HB3 ALA 45 -4.129 -7.059 11.007 315 H ALA 46 H ALA 46 -3.407 -8.335 15.282 316 HA ALA 46 HA ALA 46 -4.005 -5.532 15.897 317 HB1 ALA 46 HB1 ALA 46 -5.768 -6.115 17.426 318 HB2 ALA 46 HB2 ALA 46 -6.139 -6.790 15.839 319 HB3 ALA 46 HB3 ALA 46 -5.520 -7.833 17.119 320 H THR 47 H THR 47 -1.718 -7.545 16.164 321 HA THR 47 HA THR 47 -1.220 -7.063 19.028 322 HB THR 47 HB THR 47 -1.644 -9.490 18.488 323 HG1 THR 47 HG1 THR 47 -0.471 -9.580 20.245 324 HG21 THR 47 HG21 THR 47 1.024 -9.983 17.486 325 HG22 THR 47 HG22 THR 47 0.097 -8.978 16.370 326 HG23 THR 47 HG23 THR 47 -0.528 -10.549 16.871 327 H MET 48 H MET 48 -0.437 -5.889 16.222 328 HA MET 48 HA MET 48 2.423 -5.629 16.873 329 HB2 MET 48 HB2 MET 48 3.019 -5.657 14.590 330 HB3 MET 48 HB3 MET 48 1.897 -6.995 14.790 331 HG2 MET 48 HG2 MET 48 0.988 -4.298 13.853 332 HG3 MET 48 HG3 MET 48 1.627 -5.507 12.742 333 HE1 MET 48 HE1 MET 48 -2.219 -5.203 12.256 334 HE2 MET 48 HE2 MET 48 -1.996 -4.295 13.751 335 HE3 MET 48 HE3 MET 48 -0.849 -4.105 12.424 336 H ARG 49 H ARG 49 -0.031 -4.002 17.504 337 HA ARG 49 HA ARG 49 -0.447 -1.782 17.832 338 HB2 ARG 49 HB2 ARG 49 2.011 -1.108 16.230 339 HB3 ARG 49 HB3 ARG 49 1.249 -0.174 17.510 340 HG2 ARG 49 HG2 ARG 49 1.872 -2.365 18.903 341 HG3 ARG 49 HG3 ARG 49 3.139 -2.435 17.677 342 HD2 ARG 49 HD2 ARG 49 3.543 0.036 18.244 343 HD3 ARG 49 HD3 ARG 49 2.584 -0.280 19.689 344 HE ARG 49 HE ARG 49 4.646 -2.204 19.408 345 HH11 ARG 49 HH11 ARG 49 4.072 1.107 20.317 346 HH12 ARG 49 HH12 ARG 49 5.440 1.190 21.377 347 HH21 ARG 49 HH21 ARG 49 6.450 -2.108 20.800 348 HH22 ARG 49 HH22 ARG 49 6.793 -0.638 21.650 349 H ASN 50 H ASN 50 1.198 -1.655 14.678 350 HA ASN 50 HA ASN 50 -1.167 -1.616 13.132 351 HB2 ASN 50 HB2 ASN 50 -1.151 0.663 14.402 352 HB3 ASN 50 3HB ASN 50 0.103 1.103 13.245 353 HD21 ASN 50 HD21 ASN 50 -1.910 2.669 13.061 354 HD22 ASN 50 HD22 ASN 50 -2.968 2.286 11.749 355 H VAL 51 H VAL 51 1.682 -2.565 13.283 356 HA VAL 51 HA VAL 51 3.043 -1.387 11.051 357 HB VAL 51 HB VAL 51 3.590 -4.021 12.426 358 HG11 VAL 51 HG11 VAL 51 4.593 -3.765 10.175 359 HG12 VAL 51 HG12 VAL 51 5.416 -2.310 10.743 360 HG13 VAL 51 HG13 VAL 51 5.793 -3.876 11.463 361 HG21 VAL 51 HG21 VAL 51 4.873 -1.338 12.918 362 HG22 VAL 51 HG22 VAL 51 3.631 -2.054 13.945 363 HG23 VAL 51 HG23 VAL 51 5.199 -2.844 13.774 364 H ALA 52 H ALA 52 0.948 -4.154 11.553 365 HA ALA 52 HA ALA 52 1.424 -5.297 8.963 366 HB1 ALA 52 HB1 ALA 52 -0.974 -5.902 10.652 367 HB2 ALA 52 HB2 ALA 52 -0.081 -6.963 9.563 368 HB3 ALA 52 HB3 ALA 52 0.627 -6.486 11.106 369 H GLY 53 H GLY 53 -1.351 -3.612 10.450 370 HA2 GLY 53 HA1 GLY 53 -2.996 -3.517 8.212 371 HA3 GLY 53 HA2 GLY 53 -3.015 -2.337 9.514 372 H GLU 54 H GLU 54 -0.158 -1.643 8.936 373 HA GLU 54 HA GLU 54 -0.681 0.505 7.153 374 HB2 GLU 54 HB2 GLU 54 1.572 -0.434 8.787 375 HB3 GLU 54 HB3 GLU 54 2.050 0.399 7.314 376 HG2 GLU 54 HG2 GLU 54 1.104 2.393 7.972 377 HG3 GLU 54 HG3 GLU 54 -0.000 1.616 9.105 378 H ILE 55 H ILE 55 1.460 -2.332 6.867 379 HA ILE 55 HA ILE 55 2.084 -1.852 4.138 380 HB ILE 55 HB ILE 55 2.372 -4.326 5.838 381 HG12 ILE 55 HG12 ILE 55 4.828 -3.193 4.905 382 HG13 ILE 55 HG13 ILE 55 3.856 -1.912 5.622 383 HG21 ILE 55 HG21 ILE 55 3.085 -3.832 2.970 384 HG22 ILE 55 HG22 ILE 55 3.986 -4.988 3.949 385 HG23 ILE 55 HG23 ILE 55 2.257 -5.213 3.688 386 HD11 ILE 55 HD11 ILE 55 5.441 -3.830 6.924 387 HD12 ILE 55 HD12 ILE 55 4.403 -2.600 7.646 388 HD13 ILE 55 HD13 ILE 55 3.763 -4.208 7.308 389 H ALA 56 H ALA 56 -0.435 -3.624 5.781 390 HA ALA 56 HA ALA 56 -1.351 -5.378 3.899 391 HB1 ALA 56 HB1 ALA 56 -2.394 -4.159 6.226 392 HB2 ALA 56 HB2 ALA 56 -3.631 -4.054 4.973 393 HB3 ALA 56 HB3 ALA 56 -2.952 -5.621 5.413 394 H ALA 57 H ALA 57 -2.018 -1.897 4.049 395 HA ALA 57 HA ALA 57 -3.842 -1.652 1.997 396 HB1 ALA 57 HB1 ALA 57 -1.616 0.256 2.704 397 HB2 ALA 57 HB2 ALA 57 -3.037 0.651 1.737 398 HB3 ALA 57 HB3 ALA 57 -3.221 0.207 3.434 399 H ALA 58 H ALA 58 -0.291 -1.535 1.743 400 HA ALA 58 HA ALA 58 -0.049 -1.109 -0.975 401 HB1 ALA 58 HB1 ALA 58 1.652 -2.007 1.157 402 HB2 ALA 58 HB2 ALA 58 1.996 -2.906 -0.320 403 HB3 ALA 58 HB3 ALA 58 2.071 -1.144 -0.322 404 H LEU 59 H LEU 59 -0.827 -4.062 0.742 405 HA LEU 59 HA LEU 59 -0.433 -5.848 -1.424 406 HB2 LEU 59 HB2 LEU 59 -2.429 -6.306 0.761 407 HB3 LEU 59 3HB LEU 59 -1.428 -7.481 -0.090 408 HG LEU 59 HG LEU 59 -0.636 -5.595 2.112 409 HD11 LEU 59 HD11 LEU 59 -0.800 -8.555 1.742 410 HD12 LEU 59 HD12 LEU 59 -1.394 -7.554 3.067 411 HD13 LEU 59 HD13 LEU 59 0.333 -7.869 2.906 412 HD21 LEU 59 HD21 LEU 59 0.985 -6.604 -0.093 413 HD22 LEU 59 HD22 LEU 59 1.622 -7.028 1.495 414 HD23 LEU 59 HD23 LEU 59 1.331 -5.337 1.084 415 H TYR 60 H TYR 60 -3.530 -4.861 0.046 416 HA TYR 60 HA TYR 60 -5.149 -5.735 -2.043 417 HB2 TYR 60 HB2 TYR 60 -5.761 -3.376 -0.258 418 HB3 TYR 60 3HB TYR 60 -6.911 -4.448 -1.049 419 HD1 TYR 60 HD1 TYR 60 -7.154 -6.796 -0.247 420 HD2 TYR 60 HD2 TYR 60 -4.788 -3.940 1.838 421 HE1 TYR 60 HE1 TYR 60 -7.204 -8.225 1.754 422 HE2 TYR 60 HE2 TYR 60 -4.830 -5.361 3.844 423 HH TYR 60 HH TYR 60 -5.204 -7.612 4.499 424 H ALA 61 H ALA 61 -3.196 -2.902 -1.767 425 HA ALA 61 HA ALA 61 -4.516 -1.265 -3.661 426 HB1 ALA 61 HB1 ALA 61 -1.629 -1.286 -2.791 427 HB2 ALA 61 HB2 ALA 61 -2.397 -0.012 -3.740 428 HB3 ALA 61 HB3 ALA 61 -2.935 -0.327 -2.090 429 H VAL 62 H VAL 62 -1.935 -3.665 -3.934 430 HA VAL 62 HA VAL 62 -1.502 -3.197 -6.730 431 HB VAL 62 HB VAL 62 -0.656 -5.526 -5.001 432 HG11 VAL 62 HG11 VAL 62 0.279 -4.703 -7.749 433 HG12 VAL 62 HG12 VAL 62 0.956 -6.010 -6.775 434 HG13 VAL 62 HG13 VAL 62 -0.702 -6.118 -7.367 435 HG21 VAL 62 HG21 VAL 62 0.167 -3.115 -4.514 436 HG22 VAL 62 HG22 VAL 62 1.343 -4.427 -4.593 437 HG23 VAL 62 HG23 VAL 62 1.143 -3.339 -5.966 438 H LYS 63 H LYS 63 -3.275 -5.578 -4.811 439 HA LYS 63 HA LYS 63 -3.974 -7.399 -6.759 440 HB2 LYS 63 HB2 LYS 63 -5.701 -6.398 -4.487 441 HB3 LYS 63 HB3 LYS 63 -5.967 -7.884 -5.389 442 HG2 LYS 63 HG2 LYS 63 -3.905 -8.812 -4.560 443 HG3 LYS 63 HG3 LYS 63 -3.508 -7.292 -3.754 444 HD2 LYS 63 HD2 LYS 63 -4.551 -8.064 -1.945 445 HD3 LYS 63 HD3 LYS 63 -6.065 -7.975 -2.847 446 HE2 LYS 63 HE2 LYS 63 -5.740 -10.255 -3.641 447 HE3 LYS 63 HE3 LYS 63 -4.200 -10.345 -2.790 448 HZ1 LYS 63 HZ1 LYS 63 -5.432 -9.990 -0.701 449 HZ2 LYS 63 HZ2 LYS 63 -5.880 -11.417 -1.493 450 HZ3 LYS 63 HZ3 LYS 63 -6.887 -10.060 -1.563 451 H LYS 64 H LYS 64 -5.666 -4.395 -5.891 452 HA LYS 64 HA LYS 64 -7.661 -4.690 -7.912 453 HB2 LYS 64 HB2 LYS 64 -6.865 -2.118 -6.554 454 HB3 LYS 64 HB3 LYS 64 -8.424 -2.529 -7.257 455 HG2 LYS 64 HG2 LYS 64 -7.904 -4.478 -5.303 456 HG3 LYS 64 HG3 LYS 64 -7.480 -2.922 -4.586 457 HD2 LYS 64 HD2 LYS 64 -9.736 -2.109 -5.501 458 HD3 LYS 64 HD3 LYS 64 -10.116 -3.820 -5.712 459 HE2 LYS 64 HE2 LYS 64 -10.165 -4.225 -3.453 460 HE3 LYS 64 HE3 LYS 64 -9.064 -2.900 -3.082 461 HZ1 LYS 64 HZ1 LYS 64 -10.752 -1.496 -2.818 462 HZ2 LYS 64 HZ2 LYS 64 -11.761 -2.853 -2.778 463 HZ3 LYS 64 HZ3 LYS 64 -11.537 -2.010 -4.227 464 H ALA 65 H ALA 65 -4.496 -3.246 -7.760 465 HA ALA 65 HA ALA 65 -4.552 -1.465 -9.868 466 HB1 ALA 65 HB1 ALA 65 -2.242 -3.305 -9.282 467 HB2 ALA 65 HB2 ALA 65 -2.187 -1.692 -9.996 468 HB3 ALA 65 HB3 ALA 65 -2.640 -1.893 -8.302 469 H SER 66 H SER 66 -4.443 -4.963 -9.932 470 HA SER 66 HA SER 66 -3.826 -5.157 -12.724 471 HB2 SER 66 HB2 SER 66 -3.184 -7.053 -11.509 472 HB3 SER 66 3HB SER 66 -4.702 -7.112 -10.614 473 HG SER 66 HG SER 66 -4.064 -8.382 -12.859 474 H GLN 67 H GLN 67 -6.718 -4.879 -10.819 475 HA GLN 67 HA GLN 67 -8.525 -5.780 -12.840 476 HB2 GLN 67 HB2 GLN 67 -9.885 -5.806 -11.074 477 HB3 GLN 67 HB3 GLN 67 -8.681 -4.959 -10.112 478 HG2 GLN 67 HG2 GLN 67 -9.551 -2.823 -10.851 479 HG3 GLN 67 HG3 GLN 67 -10.717 -3.639 -11.892 480 HE21 GLN 67 HE21 GLN 67 -12.553 -2.915 -10.944 481 HE22 GLN 67 HE22 GLN 67 -13.022 -3.299 -9.327 482 H LEU 68 H LEU 68 -7.336 -2.627 -11.779 483 HA LEU 68 HA LEU 68 -8.989 -1.201 -13.667 484 HB2 LEU 68 HB2 LEU 68 -6.671 -0.193 -12.026 485 HB3 LEU 68 3HB LEU 68 -7.883 0.786 -12.850 486 HG LEU 68 HG LEU 68 -9.322 -0.874 -11.118 487 HD11 LEU 68 HD11 LEU 68 -8.224 -1.126 -9.189 488 HD12 LEU 68 HD12 LEU 68 -7.490 0.474 -9.287 489 HD13 LEU 68 HD13 LEU 68 -6.767 -0.882 -10.153 490 HD21 LEU 68 HD21 LEU 68 -8.492 2.016 -10.903 491 HD22 LEU 68 HD22 LEU 68 -9.758 1.260 -9.935 492 HD23 LEU 68 HD23 LEU 68 -9.939 1.381 -11.686 493 H GLY 69 H GLY 69 -6.184 -2.967 -13.913 494 HA2 GLY 69 HA1 GLY 69 -4.683 -3.237 -15.632 495 HA3 GLY 69 HA2 GLY 69 -5.709 -2.179 -16.590 496 H VAL 70 H VAL 70 -4.541 -0.953 -13.595 497 HA VAL 70 HA VAL 70 -2.646 0.754 -15.068 498 HB VAL 70 HB VAL 70 -3.017 2.492 -13.498 499 HG11 VAL 70 HG11 VAL 70 -5.165 3.087 -14.035 500 HG12 VAL 70 HG12 VAL 70 -4.894 1.790 -15.200 501 HG13 VAL 70 HG13 VAL 70 -5.807 1.474 -13.725 502 HG21 VAL 70 HG21 VAL 70 -4.941 1.728 -11.696 503 HG22 VAL 70 HG22 VAL 70 -3.911 0.300 -11.790 504 HG23 VAL 70 HG23 VAL 70 -3.215 1.863 -11.359 505 H LYS 71 H LYS 71 -1.186 1.826 -13.075 506 HA LYS 71 HA LYS 71 -0.070 -0.394 -11.524 507 HB2 LYS 71 HB2 LYS 71 1.642 1.462 -13.184 508 HB3 LYS 71 HB3 LYS 71 2.190 0.097 -12.218 509 HG2 LYS 71 HG2 LYS 71 2.198 -0.894 -14.252 510 HG3 LYS 71 HG3 LYS 71 0.517 -1.208 -13.815 511 HD2 LYS 71 HD2 LYS 71 -0.243 0.641 -15.124 512 HD3 LYS 71 HD3 LYS 71 1.410 1.200 -15.394 513 HE2 LYS 71 HE2 LYS 71 1.412 -1.426 -16.294 514 HE3 LYS 71 HE3 LYS 71 -0.138 -0.782 -16.833 515 HZ1 LYS 71 HZ1 LYS 71 1.457 -0.355 -18.518 516 HZ2 LYS 71 HZ2 LYS 71 2.557 0.307 -17.418 517 HZ3 LYS 71 HZ3 LYS 71 1.122 1.127 -17.775 518 H ILE 72 H ILE 72 1.622 0.431 -9.949 519 HA ILE 72 HA ILE 72 0.846 3.101 -8.969 520 HB ILE 72 HB ILE 72 1.166 2.332 -6.693 521 HG12 ILE 72 HG12 ILE 72 1.866 -0.304 -7.995 522 HG13 ILE 72 HG13 ILE 72 2.899 0.689 -6.971 523 HG21 ILE 72 HG21 ILE 72 -0.901 1.456 -6.525 524 HG22 ILE 72 HG22 ILE 72 -0.958 1.761 -8.260 525 HG23 ILE 72 HG23 ILE 72 -0.555 0.153 -7.661 526 HD11 ILE 72 HD11 ILE 72 1.191 0.282 -5.135 527 HD12 ILE 72 HD12 ILE 72 0.538 -0.978 -6.185 528 HD13 ILE 72 HD13 ILE 72 2.205 -1.079 -5.616 529 H ARG 73 H ARG 73 2.580 3.750 -7.168 530 HA ARG 73 HA ARG 73 4.917 4.422 -8.504 531 HB2 ARG 73 HB2 ARG 73 3.794 5.109 -6.115 532 HB3 ARG 73 HB3 ARG 73 5.184 4.172 -5.582 533 HG2 ARG 73 HG2 ARG 73 5.378 6.455 -7.528 534 HG3 ARG 73 HG3 ARG 73 5.556 6.640 -5.782 535 HD2 ARG 73 HD2 ARG 73 7.717 6.180 -6.062 536 HD3 ARG 73 HD3 ARG 73 7.232 4.524 -6.424 537 HE ARG 73 HE ARG 73 7.691 4.901 -8.641 538 HH11 ARG 73 HH11 ARG 73 7.645 7.932 -6.929 539 HH12 ARG 73 HH12 ARG 73 8.283 8.841 -8.259 540 HH21 ARG 73 HH21 ARG 73 8.531 6.087 -10.399 541 HH22 ARG 73 HH22 ARG 73 8.786 7.792 -10.232 542 H ILE 74 H ILE 74 6.134 2.852 -9.412 543 HA ILE 74 HA ILE 74 6.901 0.527 -7.813 544 HB ILE 74 HB ILE 74 7.751 -0.440 -9.851 545 HG12 ILE 74 HG12 ILE 74 7.079 2.211 -11.149 546 HG13 ILE 74 HG13 ILE 74 8.700 1.591 -10.849 547 HG21 ILE 74 HG21 ILE 74 5.308 0.606 -11.039 548 HG22 ILE 74 HG22 ILE 74 5.714 -1.037 -10.543 549 HG23 ILE 74 HG23 ILE 74 5.104 0.117 -9.357 550 HD11 ILE 74 HD11 ILE 74 8.247 1.213 -13.125 551 HD12 ILE 74 HD12 ILE 74 8.089 -0.354 -12.332 552 HD13 ILE 74 HD13 ILE 74 6.647 0.558 -12.777 553 H LEU 75 H LEU 75 9.318 -0.160 -8.738 554 HA LEU 75 HA LEU 75 11.538 0.151 -8.353 555 HB2 LEU 75 HB2 LEU 75 10.701 2.102 -10.121 556 HB3 LEU 75 3HB LEU 75 11.602 3.006 -8.904 557 HG LEU 75 HG LEU 75 13.409 1.130 -9.354 558 HD11 LEU 75 HD11 LEU 75 11.623 0.156 -11.046 559 HD12 LEU 75 HD12 LEU 75 13.355 0.074 -11.371 560 HD13 LEU 75 HD13 LEU 75 12.374 1.328 -12.129 561 HD21 LEU 75 HD21 LEU 75 13.317 3.717 -9.822 562 HD22 LEU 75 HD22 LEU 75 13.189 3.186 -11.498 563 HD23 LEU 75 HD23 LEU 75 14.582 2.711 -10.526 564 H HIS 76 H HIS 76 13.068 2.196 -7.397 565 HA HIS 76 HA HIS 76 12.701 2.065 -4.647 566 HB2 HIS 76 HB2 HIS 76 14.658 3.033 -6.327 567 HB3 HIS 76 3HB HIS 76 14.081 4.494 -5.531 568 HD1 HIS 76 HD1 HIS 76 13.592 3.441 -2.706 569 HD2 HIS 76 HD2 HIS 76 16.948 2.502 -4.969 570 HE1 HIS 76 HE1 HIS 76 15.362 2.786 -1.044 571 H ASP 77 H ASP 77 10.782 2.683 -3.801 572 HA ASP 77 HA ASP 77 9.599 5.230 -4.556 573 HB2 ASP 77 HB2 ASP 77 8.262 3.094 -4.199 574 HB3 ASP 77 3HB ASP 77 8.575 3.297 -2.477 575 H TYR 78 H TYR 78 9.214 6.935 -3.127 576 HA TYR 78 HA TYR 78 11.226 7.262 -1.097 577 HB2 TYR 78 HB2 TYR 78 8.993 9.074 -2.029 578 HB3 TYR 78 3HB TYR 78 10.203 9.530 -0.834 579 HD1 TYR 78 HD1 TYR 78 12.564 9.808 -1.507 580 HD2 TYR 78 HD2 TYR 78 9.510 9.030 -4.366 581 HE1 TYR 78 HE1 TYR 78 14.070 10.544 -3.307 582 HE2 TYR 78 HE2 TYR 78 11.008 9.763 -6.174 583 HH TYR 78 HH TYR 78 14.117 9.923 -6.036 584 H ALA 79 H ALA 79 8.320 5.747 -1.087 585 HA ALA 79 HA ALA 79 7.030 6.659 1.226 586 HB1 ALA 79 HB1 ALA 79 6.650 4.609 -0.638 587 HB2 ALA 79 HB2 ALA 79 6.745 3.813 0.933 588 HB3 ALA 79 HB3 ALA 79 5.561 5.091 0.663 589 H GLY 80 H GLY 80 6.739 4.567 2.956 590 HA2 GLY 80 HA1 GLY 80 9.306 4.645 4.349 591 HA3 GLY 80 HA2 GLY 80 7.761 4.179 5.042 592 H ILE 81 H ILE 81 7.885 2.599 2.194 593 HA ILE 81 HA ILE 81 8.520 0.094 3.468 594 HB ILE 81 HB ILE 81 7.557 0.852 0.730 595 HG12 ILE 81 HG12 ILE 81 5.737 -0.782 1.428 596 HG13 ILE 81 HG13 ILE 81 6.480 -0.791 3.023 597 HG21 ILE 81 HG21 ILE 81 8.878 -0.853 -0.002 598 HG22 ILE 81 HG22 ILE 81 8.887 -1.666 1.563 599 HG23 ILE 81 HG23 ILE 81 7.473 -1.787 0.515 600 HD11 ILE 81 HD11 ILE 81 4.540 0.737 2.800 601 HD12 ILE 81 HD12 ILE 81 6.026 1.532 3.316 602 HD13 ILE 81 HD13 ILE 81 5.478 1.686 1.647 603 H ALA 82 H ALA 82 9.980 2.188 1.036 604 HA ALA 82 HA ALA 82 12.101 0.372 0.401 605 HB1 ALA 82 HB1 ALA 82 12.255 3.314 -0.112 606 HB2 ALA 82 HB2 ALA 82 12.853 1.973 -1.089 607 HB3 ALA 82 HB3 ALA 82 11.123 2.310 -1.019 608 H PHE 83 H PHE 83 11.476 2.195 3.097 609 HA PHE 83 HA PHE 83 14.094 3.166 3.689 610 HB2 PHE 83 HB2 PHE 83 11.478 3.218 4.921 611 HB3 PHE 83 3HB PHE 83 12.719 2.842 6.111 612 HD1 PHE 83 HD1 PHE 83 11.615 5.322 3.620 613 HD2 PHE 83 HD2 PHE 83 14.245 4.486 6.860 614 HE1 PHE 83 HE1 PHE 83 12.201 7.708 3.755 615 HE2 PHE 83 HE2 PHE 83 14.835 6.871 7.000 616 HZ PHE 83 HZ PHE 83 13.814 8.485 5.446 617 H TRP 84 H TRP 84 12.181 0.496 5.079 618 HA TRP 84 HA TRP 84 14.528 -0.615 6.344 619 HB2 TRP 84 HB2 TRP 84 13.070 -1.731 7.649 620 HB3 TRP 84 3HB TRP 84 11.844 -0.695 6.921 621 HD1 TRP 84 HD1 TRP 84 13.343 -4.232 6.533 622 HE1 TRP 84 HE1 TRP 84 11.571 -5.736 5.425 623 HE3 TRP 84 HE3 TRP 84 9.774 -0.702 5.561 624 HZ2 TRP 84 HZ2 TRP 84 9.002 -5.461 4.289 625 HZ3 TRP 84 HZ3 TRP 84 7.689 -1.406 4.461 626 HH2 TRP 84 HH2 TRP 84 7.313 -3.736 3.838 627 H ALA 85 H ALA 85 13.055 -0.849 3.312 628 HA ALA 85 HA ALA 85 13.304 -3.469 2.533 629 HB1 ALA 85 HB1 ALA 85 12.385 -2.153 0.898 630 HB2 ALA 85 HB2 ALA 85 13.589 -0.878 1.092 631 HB3 ALA 85 HB3 ALA 85 14.012 -2.370 0.254 632 H THR 86 H THR 86 15.823 -1.187 3.225 633 HA THR 86 HA THR 86 17.951 -2.417 1.849 634 HB THR 86 HB THR 86 19.437 -1.130 3.229 635 HG1 THR 86 HG1 THR 86 18.526 0.011 5.078 636 HG21 THR 86 HG21 THR 86 16.905 0.467 2.833 637 HG22 THR 86 HG22 THR 86 18.073 0.102 1.563 638 HG23 THR 86 HG23 THR 86 18.546 1.101 2.938 639 H GLY 87 H GLY 87 16.656 -2.882 5.112 640 HA2 GLY 87 HA1 GLY 87 16.814 -4.714 6.505 641 HA3 GLY 87 HA2 GLY 87 17.634 -5.570 5.206 642 H GLU 88 H GLU 88 17.994 -3.788 8.125 643 HA GLU 88 HA GLU 88 20.915 -3.791 7.875 644 HB2 GLU 88 HB2 GLU 88 19.033 -2.417 9.787 645 HB3 GLU 88 HB3 GLU 88 20.772 -2.462 10.043 646 HG2 GLU 88 HG2 GLU 88 20.723 -1.555 7.525 647 HG3 GLU 88 HG3 GLU 88 19.178 -0.927 8.094 648 H TRP 89 H TRP 89 18.539 -4.496 10.443 649 HA TRP 89 HA TRP 89 20.394 -6.488 11.529 650 HB2 TRP 89 HB2 TRP 89 17.868 -5.347 12.744 651 HB3 TRP 89 3HB TRP 89 19.015 -6.414 13.548 652 HD1 TRP 89 HD1 TRP 89 21.728 -5.013 12.828 653 HE1 TRP 89 HE1 TRP 89 22.301 -2.706 13.817 654 HE3 TRP 89 HE3 TRP 89 17.007 -3.428 13.983 655 HZ2 TRP 89 HZ2 TRP 89 20.933 -0.507 14.939 656 HZ3 TRP 89 HZ3 TRP 89 16.726 -1.211 15.013 657 HH2 TRP 89 HH2 TRP 89 18.649 0.217 15.480 658 H LYS 90 H LYS 90 19.512 -8.551 12.292 659 HA LYS 90 HA LYS 90 18.074 -9.884 10.265 660 HB2 LYS 90 HB2 LYS 90 19.020 -10.621 13.008 661 HB3 LYS 90 HB3 LYS 90 17.923 -11.699 12.156 662 HG2 LYS 90 HG2 LYS 90 19.494 -11.913 10.330 663 HG3 LYS 90 HG3 LYS 90 20.580 -10.753 11.099 664 HD2 LYS 90 HD2 LYS 90 21.515 -12.778 11.714 665 HD3 LYS 90 HD3 LYS 90 20.496 -12.405 13.106 666 HE2 LYS 90 HE2 LYS 90 18.696 -13.788 11.965 667 HE3 LYS 90 HE3 LYS 90 19.959 -14.340 10.865 668 HZ1 LYS 90 HZ1 LYS 90 21.020 -15.496 12.517 669 HZ2 LYS 90 HZ2 LYS 90 19.409 -15.690 12.994 670 HZ3 LYS 90 HZ3 LYS 90 20.388 -14.545 13.765 671 H ALA 91 H ALA 91 16.110 -8.764 10.000 672 HA ALA 91 HA ALA 91 14.241 -8.565 12.187 673 HB1 ALA 91 HB1 ALA 91 14.216 -6.807 10.570 674 HB2 ALA 91 HB2 ALA 91 13.984 -7.953 9.249 675 HB3 ALA 91 HB3 ALA 91 12.699 -7.695 10.428 676 H LYS 92 H LYS 92 15.246 -11.121 10.456 677 HA LYS 92 HA LYS 92 13.133 -12.460 9.384 678 HB2 LYS 92 HB2 LYS 92 15.322 -13.441 9.364 679 HB3 LYS 92 HB3 LYS 92 15.356 -13.536 11.120 680 HG2 LYS 92 HG2 LYS 92 13.163 -14.967 9.746 681 HG3 LYS 92 HG3 LYS 92 14.792 -15.623 9.566 682 HD2 LYS 92 HD2 LYS 92 14.944 -15.400 12.122 683 HD3 LYS 92 HD3 LYS 92 13.188 -15.226 12.073 684 HE2 LYS 92 HE2 LYS 92 12.860 -17.401 11.580 685 HE3 LYS 92 HE3 LYS 92 14.267 -17.478 10.520 686 HZ1 LYS 92 HZ1 LYS 92 14.101 -18.599 12.971 687 HZ2 LYS 92 HZ2 LYS 92 14.928 -17.161 13.304 688 HZ3 LYS 92 HZ3 LYS 92 15.545 -18.246 12.163 689 H ASN 93 H ASN 93 13.753 -11.864 12.775 690 HA ASN 93 HA ASN 93 11.721 -13.659 13.718 691 HB2 ASN 93 HB2 ASN 93 13.830 -12.775 14.966 692 HB3 ASN 93 3HB ASN 93 12.820 -11.380 15.337 693 HD21 ASN 93 HD21 ASN 93 13.524 -14.650 16.039 694 HD22 ASN 93 HD22 ASN 93 12.364 -14.866 17.300 695 H GLU 94 H GLU 94 10.308 -12.450 11.950 696 HA GLU 94 HA GLU 94 8.364 -10.953 13.442 697 HB2 GLU 94 HB2 GLU 94 10.317 -9.431 12.248 698 HB3 GLU 94 HB3 GLU 94 9.053 -9.444 11.026 699 HG2 GLU 94 HG2 GLU 94 8.404 -7.623 12.205 700 HG3 GLU 94 HG3 GLU 94 7.530 -8.864 13.101 701 H PHE 95 H PHE 95 6.838 -9.922 11.428 702 HA PHE 95 HA PHE 95 6.195 -12.307 9.820 703 HB2 PHE 95 HB2 PHE 95 4.561 -10.648 11.556 704 HB3 PHE 95 3HB PHE 95 3.893 -10.736 9.929 705 HD1 PHE 95 HD1 PHE 95 5.214 -12.897 12.654 706 HD2 PHE 95 HD2 PHE 95 2.589 -12.543 9.322 707 HE1 PHE 95 HE1 PHE 95 4.267 -15.110 13.168 708 HE2 PHE 95 HE2 PHE 95 1.638 -14.754 9.832 709 HZ PHE 95 HZ PHE 95 2.476 -16.040 11.757 710 H THR 96 H THR 96 7.134 -9.064 9.737 711 HA THR 96 HA THR 96 5.897 -8.015 7.497 712 HB THR 96 HB THR 96 8.812 -7.499 7.777 713 HG1 THR 96 HG1 THR 96 6.978 -6.493 9.699 714 HG21 THR 96 HG21 THR 96 6.705 -5.407 7.906 715 HG22 THR 96 HG22 THR 96 6.911 -6.271 6.382 716 HG23 THR 96 HG23 THR 96 8.266 -5.390 7.086 717 H GLN 97 H GLN 97 8.354 -10.466 7.713 718 HA GLN 97 HA GLN 97 9.523 -10.414 5.227 719 HB2 GLN 97 HB2 GLN 97 9.412 -12.212 7.357 720 HB3 GLN 97 HB3 GLN 97 8.835 -13.132 5.974 721 HG2 GLN 97 HG2 GLN 97 11.112 -11.686 5.135 722 HG3 GLN 97 HG3 GLN 97 11.499 -12.445 6.679 723 HE21 GLN 97 HE21 GLN 97 9.932 -14.729 6.478 724 HE22 GLN 97 HE22 GLN 97 10.572 -15.735 5.228 725 H ALA 98 H ALA 98 6.451 -11.955 6.125 726 HA ALA 98 HA ALA 98 5.741 -13.210 3.817 727 HB1 ALA 98 HB1 ALA 98 3.536 -13.135 4.530 728 HB2 ALA 98 HB2 ALA 98 4.440 -12.917 6.029 729 HB3 ALA 98 HB3 ALA 98 3.711 -11.524 5.229 730 H TYR 99 H TYR 99 5.756 -9.755 4.424 731 HA TYR 99 HA TYR 99 4.237 -8.831 2.305 732 HB2 TYR 99 HB2 TYR 99 5.103 -7.352 4.042 733 HB3 TYR 99 3HB TYR 99 6.748 -7.616 3.477 734 HD1 TYR 99 HD1 TYR 99 3.598 -6.873 1.614 735 HD2 TYR 99 HD2 TYR 99 7.527 -5.603 2.639 736 HE1 TYR 99 HE1 TYR 99 3.373 -4.961 0.083 737 HE2 TYR 99 HE2 TYR 99 7.312 -3.686 1.112 738 HH TYR 99 HH TYR 99 4.332 -2.752 -0.257 739 H ALA 100 H ALA 100 7.763 -9.363 2.341 740 HA ALA 100 HA ALA 100 8.276 -8.747 -0.317 741 HB1 ALA 100 HB1 ALA 100 9.905 -10.954 0.637 742 HB2 ALA 100 HB2 ALA 100 10.368 -9.306 0.211 743 HB3 ALA 100 HB3 ALA 100 9.755 -9.662 1.827 744 H LYS 101 H LYS 101 6.909 -11.626 1.094 745 HA LYS 101 HA LYS 101 7.262 -13.290 -1.206 746 HB2 LYS 101 HB2 LYS 101 5.176 -13.724 0.916 747 HB3 LYS 101 HB3 LYS 101 6.039 -14.925 -0.036 748 HG2 LYS 101 HG2 LYS 101 7.196 -13.212 2.153 749 HG3 LYS 101 HG3 LYS 101 6.830 -14.936 2.244 750 HD2 LYS 101 HD2 LYS 101 8.444 -15.243 0.317 751 HD3 LYS 101 HD3 LYS 101 8.935 -13.568 0.580 752 HE2 LYS 101 HE2 LYS 101 10.488 -14.768 1.819 753 HE3 LYS 101 HE3 LYS 101 9.294 -14.299 3.029 754 HZ1 LYS 101 HZ1 LYS 101 8.985 -16.423 3.503 755 HZ2 LYS 101 HZ2 LYS 101 10.145 -16.872 2.358 756 HZ3 LYS 101 HZ3 LYS 101 8.519 -16.749 1.911 757 H LEU 102 H LEU 102 4.440 -11.635 0.209 758 HA LEU 102 HA LEU 102 2.611 -12.319 -1.795 759 HB2 LEU 102 HB2 LEU 102 2.777 -10.210 0.290 760 HB3 LEU 102 3HB LEU 102 1.585 -10.005 -0.993 761 HG LEU 102 HG LEU 102 1.751 -12.385 0.856 762 HD11 LEU 102 HD11 LEU 102 -0.554 -10.559 0.955 763 HD12 LEU 102 HD12 LEU 102 0.958 -9.913 1.590 764 HD13 LEU 102 HD13 LEU 102 0.288 -11.402 2.255 765 HD21 LEU 102 HD21 LEU 102 0.620 -12.229 -1.641 766 HD22 LEU 102 HD22 LEU 102 -0.734 -11.859 -0.575 767 HD23 LEU 102 HD23 LEU 102 0.163 -13.364 -0.372 768 H MET 103 H MET 103 4.987 -9.751 -1.605 769 HA MET 103 HA MET 103 4.120 -8.030 -3.578 770 HB2 MET 103 HB2 MET 103 6.037 -7.453 -2.275 771 HB3 MET 103 HB3 MET 103 6.915 -8.876 -2.819 772 HG2 MET 103 HG2 MET 103 6.107 -7.243 -5.050 773 HG3 MET 103 HG3 MET 103 7.035 -6.310 -3.878 774 HE1 MET 103 HE1 MET 103 9.648 -6.900 -6.508 775 HE2 MET 103 HE2 MET 103 8.189 -7.602 -7.206 776 HE3 MET 103 HE3 MET 103 8.087 -6.117 -6.259 777 H ASN 104 H ASN 104 6.597 -10.539 -4.136 778 HA ASN 104 HA ASN 104 6.567 -10.444 -6.900 779 HB2 ASN 104 HB2 ASN 104 8.303 -11.635 -5.703 780 HB3 ASN 104 3HB ASN 104 7.132 -12.792 -5.080 781 HD21 ASN 104 HD21 ASN 104 6.117 -14.232 -6.577 782 HD22 ASN 104 HD22 ASN 104 6.927 -14.674 -8.038 783 H GLN 105 H GLN 105 4.383 -12.057 -4.706 784 HA GLN 105 HA GLN 105 3.163 -13.903 -6.354 785 HB2 GLN 105 HB2 GLN 105 2.665 -12.803 -3.829 786 HB3 GLN 105 HB3 GLN 105 1.193 -12.521 -4.748 787 HG2 GLN 105 HG2 GLN 105 2.413 -15.224 -4.851 788 HG3 GLN 105 HG3 GLN 105 1.577 -14.735 -3.377 789 HE21 GLN 105 HE21 GLN 105 1.034 -14.366 -6.869 790 HE22 GLN 105 HE22 GLN 105 -0.606 -14.911 -6.843 791 H TYR 106 H TYR 106 2.552 -10.432 -6.091 792 HA TYR 106 HA TYR 106 1.111 -10.570 -8.646 793 HB2 TYR 106 HB2 TYR 106 -0.357 -8.674 -7.653 794 HB3 TYR 106 3HB TYR 106 -0.712 -10.339 -7.209 795 HD1 TYR 106 HD1 TYR 106 1.623 -7.679 -5.987 796 HD2 TYR 106 HD2 TYR 106 -1.321 -10.590 -5.006 797 HE1 TYR 106 HE1 TYR 106 1.832 -7.080 -3.610 798 HE2 TYR 106 HE2 TYR 106 -1.120 -10.000 -2.628 799 HH TYR 106 HH TYR 106 1.409 -8.051 -1.423 800 H ARG 107 H ARG 107 3.810 -9.891 -8.253 801 HA ARG 107 HA ARG 107 4.026 -7.007 -8.249 802 HB2 ARG 107 HB2 ARG 107 6.336 -7.305 -8.225 803 HB3 ARG 107 HB3 ARG 107 5.752 -8.715 -7.352 804 HG2 ARG 107 HG2 ARG 107 7.072 -9.876 -8.721 805 HG3 ARG 107 HG3 ARG 107 5.808 -9.622 -9.926 806 HD2 ARG 107 HD2 ARG 107 7.310 -7.294 -10.012 807 HD3 ARG 107 HD3 ARG 107 8.509 -8.573 -9.815 808 HE ARG 107 HE ARG 107 6.809 -9.441 -11.797 809 HH11 ARG 107 HH11 ARG 107 8.902 -6.708 -11.280 810 HH12 ARG 107 HH12 ARG 107 9.243 -6.484 -12.965 811 HH21 ARG 107 HH21 ARG 107 7.248 -9.157 -14.017 812 HH22 ARG 107 HH22 ARG 107 8.300 -7.877 -14.521 813 H GLY 108 H GLY 108 2.779 -8.954 -10.444 814 HA2 GLY 108 HA1 GLY 108 4.226 -8.314 -12.818 815 HA3 GLY 108 HA2 GLY 108 2.603 -8.983 -12.740 816 H ILE 109 H ILE 109 2.350 -6.392 -10.847 817 HA ILE 109 HA ILE 109 1.654 -4.614 -13.093 818 HB ILE 109 HB ILE 109 0.066 -3.618 -11.233 819 HG12 ILE 109 HG12 ILE 109 1.074 -5.529 -9.690 820 HG13 ILE 109 HG13 ILE 109 -0.605 -5.023 -9.543 821 HG21 ILE 109 HG21 ILE 109 -0.365 -5.961 -13.040 822 HG22 ILE 109 HG22 ILE 109 -1.678 -5.360 -12.029 823 HG23 ILE 109 HG23 ILE 109 -0.920 -4.297 -13.215 824 HD11 ILE 109 HD11 ILE 109 -0.241 -7.487 -9.539 825 HD12 ILE 109 HD12 ILE 109 -1.356 -6.910 -10.779 826 HD13 ILE 109 HD13 ILE 109 0.295 -7.353 -11.215 827 H TYR 110 H TYR 110 2.849 -4.771 -9.771 828 HA TYR 110 HA TYR 110 4.018 -2.092 -10.149 829 HB2 TYR 110 HB2 TYR 110 3.491 -1.470 -7.999 830 HB3 TYR 110 3HB TYR 110 2.127 -2.526 -8.349 831 HD1 TYR 110 HD1 TYR 110 2.605 -5.095 -7.757 832 HD2 TYR 110 HD2 TYR 110 4.565 -1.763 -5.982 833 HE1 TYR 110 HE1 TYR 110 3.165 -6.475 -5.800 834 HE2 TYR 110 HE2 TYR 110 5.132 -3.133 -4.020 835 HH TYR 110 HH TYR 110 3.922 -5.423 -2.964 836 H SER 111 H SER 111 5.845 -1.804 -8.377 837 HA SER 111 HA SER 111 7.420 -4.228 -8.032 838 HB2 SER 111 HB2 SER 111 9.052 -2.050 -9.125 839 HB3 SER 111 3HB SER 111 9.054 -3.768 -9.521 840 HG SER 111 HG SER 111 8.318 -2.764 -11.322 841 H PHE 112 H PHE 112 9.163 -3.987 -6.539 842 HA PHE 112 HA PHE 112 9.620 -1.506 -5.189 843 HB2 PHE 112 HB2 PHE 112 7.525 -3.228 -4.216 844 HB3 PHE 112 3HB PHE 112 8.819 -3.126 -3.027 845 HD1 PHE 112 HD1 PHE 112 9.532 -0.876 -2.193 846 HD2 PHE 112 HD2 PHE 112 6.042 -1.440 -4.563 847 HE1 PHE 112 HE1 PHE 112 8.681 1.311 -1.454 848 HE2 PHE 112 HE2 PHE 112 5.185 0.747 -3.829 849 HZ PHE 112 HZ PHE 112 6.505 2.124 -2.270 850 H GLU 113 H GLU 113 11.534 -1.521 -4.116 851 HA GLU 113 HA GLU 113 13.432 -3.459 -4.618 852 HB2 GLU 113 HB2 GLU 113 13.517 -1.004 -3.521 853 HB3 GLU 113 HB3 GLU 113 13.719 -1.973 -2.067 854 HG2 GLU 113 HG2 GLU 113 15.821 -2.483 -2.574 855 HG3 GLU 113 HG3 GLU 113 15.414 -2.874 -4.244 856 H LYS 114 H LYS 114 14.561 -4.906 -3.130 857 HA LYS 114 HA LYS 114 12.938 -6.838 -2.016 858 HB2 LYS 114 HB2 LYS 114 15.454 -6.910 -2.584 859 HB3 LYS 114 HB3 LYS 114 15.700 -6.298 -0.955 860 HG2 LYS 114 HG2 LYS 114 14.633 -8.240 -0.013 861 HG3 LYS 114 HG3 LYS 114 14.219 -8.832 -1.622 862 HD2 LYS 114 HD2 LYS 114 16.916 -8.479 -1.835 863 HD3 LYS 114 HD3 LYS 114 16.751 -8.976 -0.150 864 HE2 LYS 114 HE2 LYS 114 16.976 -11.005 -1.233 865 HE3 LYS 114 HE3 LYS 114 15.225 -10.839 -1.122 866 HZ1 LYS 114 HZ1 LYS 114 16.271 -9.650 -3.499 867 HZ2 LYS 114 HZ2 LYS 114 15.045 -10.802 -3.323 868 HZ3 LYS 114 HZ3 LYS 114 16.661 -11.292 -3.398 869 H VAL 115 H VAL 115 11.930 -7.132 -0.117 870 HA VAL 115 HA VAL 115 12.462 -5.195 2.040 871 HB VAL 115 HB VAL 115 9.903 -5.892 2.549 872 HG11 VAL 115 HG11 VAL 115 10.625 -3.631 2.569 873 HG12 VAL 115 HG12 VAL 115 10.949 -3.650 0.834 874 HG13 VAL 115 HG13 VAL 115 9.288 -3.725 1.423 875 HG21 VAL 115 HG21 VAL 115 9.754 -7.226 0.486 876 HG22 VAL 115 HG22 VAL 115 8.616 -5.879 0.493 877 HG23 VAL 115 HG23 VAL 115 10.096 -5.777 -0.460 878 H LYS 116 H LYS 116 13.792 -6.557 3.212 879 HA LYS 116 HA LYS 116 13.279 -9.264 3.762 880 HB2 LYS 116 HB2 LYS 116 15.010 -7.156 4.984 881 HB3 LYS 116 HB3 LYS 116 14.786 -8.672 5.847 882 HG2 LYS 116 HG2 LYS 116 15.472 -8.946 3.004 883 HG3 LYS 116 HG3 LYS 116 16.722 -8.224 4.021 884 HD2 LYS 116 HD2 LYS 116 15.327 -10.714 4.912 885 HD3 LYS 116 HD3 LYS 116 16.626 -10.811 3.721 886 HE2 LYS 116 HE2 LYS 116 17.051 -9.256 6.232 887 HE3 LYS 116 HE3 LYS 116 17.141 -11.016 6.282 888 HZ1 LYS 116 HZ1 LYS 116 18.850 -9.129 4.787 889 HZ2 LYS 116 HZ2 LYS 116 18.742 -10.753 4.329 890 HZ3 LYS 116 HZ3 LYS 116 19.310 -10.345 5.869 891 H ALA 117 H ALA 117 13.253 -6.758 6.275 892 HA ALA 117 HA ALA 117 10.597 -7.022 7.079 893 HB1 ALA 117 HB1 ALA 117 11.030 -8.389 9.196 894 HB2 ALA 117 HB2 ALA 117 10.900 -9.266 7.671 895 HB3 ALA 117 HB3 ALA 117 12.486 -8.959 8.379 896 H HIS 118 H HIS 118 10.209 -6.118 9.280 897 HA HIS 118 HA HIS 118 12.355 -4.805 10.643 898 HB2 HIS 118 HB2 HIS 118 11.748 -2.517 10.185 899 HB3 HIS 118 3HB HIS 118 12.047 -3.330 8.652 900 HD1 HIS 118 HD1 HIS 118 10.371 -0.796 8.668 901 HD2 HIS 118 HD2 HIS 118 8.758 -4.607 9.026 902 HE1 HIS 118 HE1 HIS 118 7.978 -0.586 7.921 903 H SER 119 H SER 119 11.030 -2.840 11.984 904 HA SER 119 HA SER 119 8.921 -4.352 13.376 905 HB2 SER 119 HB2 SER 119 10.826 -2.244 14.420 906 HB3 SER 119 3HB SER 119 9.510 -2.947 15.361 907 HG SER 119 HG SER 119 10.723 -4.613 15.723 908 H GLY 120 H GLY 120 9.819 -0.909 13.354 909 HA2 GLY 120 HA1 GLY 120 7.432 -0.110 11.983 910 HA3 GLY 120 HA2 GLY 120 7.317 0.153 13.716 911 H ASN 121 H ASN 121 7.136 2.270 11.983 912 HA ASN 121 HA ASN 121 9.015 4.064 13.004 913 HB2 ASN 121 HB2 ASN 121 10.049 4.521 10.595 914 HB3 ASN 121 3HB ASN 121 10.786 3.378 11.714 915 HD21 ASN 121 HD21 ASN 121 11.612 1.865 10.436 916 HD22 ASN 121 HD22 ASN 121 10.732 0.970 9.249 917 H GLU 122 H GLU 122 9.083 6.133 11.433 918 HA GLU 122 HA GLU 122 6.269 6.651 10.786 919 HB2 GLU 122 HB2 GLU 122 6.824 9.020 11.013 920 HB3 GLU 122 HB3 GLU 122 7.283 8.129 12.457 921 HG2 GLU 122 HG2 GLU 122 9.607 8.090 11.685 922 HG3 GLU 122 HG3 GLU 122 9.138 9.011 10.256 923 H PHE 123 H PHE 123 8.918 5.678 9.206 924 HA PHE 123 HA PHE 123 9.286 7.400 7.058 925 HB2 PHE 123 HB2 PHE 123 9.376 4.381 6.920 926 HB3 PHE 123 3HB PHE 123 10.225 5.517 5.875 927 HD1 PHE 123 HD1 PHE 123 11.199 7.433 7.954 928 HD2 PHE 123 HD2 PHE 123 11.147 3.179 7.854 929 HE1 PHE 123 HE1 PHE 123 13.136 7.377 9.468 930 HE2 PHE 123 HE2 PHE 123 13.085 3.115 9.369 931 HZ PHE 123 HZ PHE 123 14.083 5.217 10.178 932 H ASN 124 H ASN 124 6.715 5.143 7.715 933 HA ASN 124 HA ASN 124 5.647 5.065 5.076 934 HB2 ASN 124 HB2 ASN 124 3.758 3.945 6.048 935 HB3 ASN 124 3HB ASN 124 5.204 3.357 6.864 936 HD21 ASN 124 HD21 ASN 124 2.167 4.774 7.228 937 HD22 ASN 124 HD22 ASN 124 2.254 5.114 8.920 938 H ASP 125 H ASP 125 5.049 7.053 7.923 939 HA ASP 125 HA ASP 125 2.732 8.357 7.154 940 HB2 ASP 125 HB2 ASP 125 4.906 8.844 9.036 941 HB3 ASP 125 3HB ASP 125 4.218 10.336 8.405 942 H TYR 126 H TYR 126 5.953 8.688 5.929 943 HA TYR 126 HA TYR 126 5.937 11.228 4.844 944 HB2 TYR 126 HB2 TYR 126 7.972 10.132 4.641 945 HB3 TYR 126 3HB TYR 126 7.235 8.655 4.031 946 HD1 TYR 126 HD1 TYR 126 6.492 8.534 1.664 947 HD2 TYR 126 HD2 TYR 126 8.657 11.876 3.164 948 HE1 TYR 126 HE1 TYR 126 7.025 9.214 -0.639 949 HE2 TYR 126 HE2 TYR 126 9.194 12.567 0.865 950 HH TYR 126 HH TYR 126 9.081 12.030 -1.293 951 H VAL 127 H VAL 127 4.373 8.310 3.690 952 HA VAL 127 HA VAL 127 3.741 9.051 1.091 953 HB VAL 127 HB VAL 127 1.878 7.486 1.210 954 HG11 VAL 127 HG11 VAL 127 4.219 6.436 2.795 955 HG12 VAL 127 HG12 VAL 127 3.103 5.500 1.799 956 HG13 VAL 127 HG13 VAL 127 4.209 6.649 1.046 957 HG21 VAL 127 HG21 VAL 127 0.691 7.325 3.082 958 HG22 VAL 127 HG22 VAL 127 2.037 6.451 3.813 959 HG23 VAL 127 HG23 VAL 127 1.923 8.202 3.991 960 H ASP 128 H ASP 128 2.485 10.222 4.086 961 HA ASP 128 HA ASP 128 -0.016 11.181 3.256 962 HB2 ASP 128 HB2 ASP 128 1.165 11.073 5.632 963 HB3 ASP 128 3HB ASP 128 1.574 12.741 5.241 964 H MET 129 H MET 129 3.136 12.833 3.398 965 HA MET 129 HA MET 129 2.175 15.247 2.246 966 HB2 MET 129 HB2 MET 129 4.366 14.700 3.629 967 HB3 MET 129 HB3 MET 129 5.048 14.468 2.024 968 HG2 MET 129 HG2 MET 129 4.649 16.697 1.414 969 HG3 MET 129 HG3 MET 129 3.560 16.959 2.774 970 HE1 MET 129 HE1 MET 129 8.082 16.303 3.194 971 HE2 MET 129 HE2 MET 129 6.990 15.004 3.675 972 HE3 MET 129 HE3 MET 129 7.005 15.570 2.005 973 H LYS 130 H LYS 130 4.068 12.535 0.933 974 HA LYS 130 HA LYS 130 4.370 13.466 -1.665 975 HB2 LYS 130 HB2 LYS 130 5.004 11.148 -0.302 976 HB3 LYS 130 HB3 LYS 130 3.871 10.590 -1.524 977 HG2 LYS 130 HG2 LYS 130 6.295 12.259 -2.140 978 HG3 LYS 130 HG3 LYS 130 6.276 10.495 -2.187 979 HD2 LYS 130 HD2 LYS 130 5.710 10.785 -4.344 980 HD3 LYS 130 HD3 LYS 130 4.096 11.091 -3.698 981 HE2 LYS 130 HE2 LYS 130 4.735 12.829 -5.274 982 HE3 LYS 130 HE3 LYS 130 4.575 13.491 -3.648 983 HZ1 LYS 130 HZ1 LYS 130 6.747 13.988 -3.546 984 HZ2 LYS 130 HZ2 LYS 130 6.679 13.918 -5.235 985 HZ3 LYS 130 HZ3 LYS 130 7.233 12.584 -4.355 986 H ALA 131 H ALA 131 1.789 11.392 -0.354 987 HA ALA 131 HA ALA 131 0.297 11.065 -2.666 988 HB1 ALA 131 HB1 ALA 131 -1.674 10.879 -1.030 989 HB2 ALA 131 HB2 ALA 131 -0.335 9.743 -0.853 990 HB3 ALA 131 HB3 ALA 131 -0.467 11.128 0.232 991 H LYS 132 H LYS 132 0.315 13.738 -0.366 992 HA LYS 132 HA LYS 132 -1.928 15.134 -1.174 993 HB2 LYS 132 HB2 LYS 132 0.366 15.648 0.415 994 HB3 LYS 132 HB3 LYS 132 0.188 17.003 -0.691 995 HG2 LYS 132 HG2 LYS 132 -2.351 16.769 0.130 996 HG3 LYS 132 HG3 LYS 132 -1.518 16.150 1.558 997 HD2 LYS 132 HD2 LYS 132 -0.076 18.222 1.462 998 HD3 LYS 132 HD3 LYS 132 -1.196 18.842 0.245 999 HE2 LYS 132 HE2 LYS 132 -2.409 19.638 1.935 1000 HE3 LYS 132 HE3 LYS 132 -2.841 17.968 2.295 1001 HZ1 LYS 132 HZ1 LYS 132 -2.015 18.771 4.290 1002 HZ2 LYS 132 HZ2 LYS 132 -0.771 19.649 3.556 1003 HZ3 LYS 132 HZ3 LYS 132 -0.679 17.961 3.639 1004 H SER 133 H SER 133 1.199 14.875 -2.721 1005 HA SER 133 HA SER 133 0.771 17.004 -4.583 1006 HB2 SER 133 HB2 SER 133 2.717 14.690 -4.751 1007 HB3 SER 133 3HB SER 133 2.789 16.184 -5.685 1008 HG SER 133 HG SER 133 3.666 17.151 -4.039 1009 H ALA 134 H ALA 134 0.255 13.528 -4.590 1010 HA ALA 134 HA ALA 134 -0.410 13.386 -7.376 1011 HB1 ALA 134 HB1 ALA 134 -0.337 11.173 -7.079 1012 HB2 ALA 134 HB2 ALA 134 0.282 11.542 -5.469 1013 HB3 ALA 134 HB3 ALA 134 -1.438 11.230 -5.703 1014 H LEU 135 H LEU 135 -2.179 13.792 -4.375 1015 HA LEU 135 HA LEU 135 -4.766 13.326 -5.451 1016 HB2 LEU 135 HB2 LEU 135 -3.968 14.936 -3.031 1017 HB3 LEU 135 3HB LEU 135 -5.590 14.353 -3.398 1018 HG LEU 135 HG LEU 135 -3.463 12.306 -3.190 1019 HD11 LEU 135 HD11 LEU 135 -3.722 14.262 -1.173 1020 HD12 LEU 135 HD12 LEU 135 -2.803 12.758 -1.125 1021 HD13 LEU 135 HD13 LEU 135 -4.476 12.785 -0.570 1022 HD21 LEU 135 HD21 LEU 135 -5.189 10.938 -2.590 1023 HD22 LEU 135 HD22 LEU 135 -6.074 12.127 -3.546 1024 HD23 LEU 135 HD23 LEU 135 -6.081 12.229 -1.784 1025 H GLY 136 H GLY 136 -2.623 16.042 -5.447 1026 HA2 GLY 136 HA1 GLY 136 -2.891 17.825 -7.005 1027 HA3 GLY 136 HA2 GLY 136 -4.629 17.564 -6.958 1028 H ILE 137 H ILE 137 -2.950 17.578 -3.954 1029 HA ILE 137 HA ILE 137 -4.315 20.041 -3.215 1030 HB ILE 137 HB ILE 137 -2.636 18.316 -1.404 1031 HG12 ILE 137 HG12 ILE 137 -5.572 18.035 -2.086 1032 HG13 ILE 137 HG13 ILE 137 -4.299 16.873 -2.447 1033 HG21 ILE 137 HG21 ILE 137 -3.802 19.342 0.368 1034 HG22 ILE 137 HG22 ILE 137 -3.369 20.649 -0.733 1035 HG23 ILE 137 HG23 ILE 137 -5.016 20.018 -0.718 1036 HD11 ILE 137 HD11 ILE 137 -4.673 15.886 -0.510 1037 HD12 ILE 137 HD12 ILE 137 -4.238 17.372 0.334 1038 HD13 ILE 137 HD13 ILE 137 -5.914 17.081 -0.129 1039 H ARG 138 H ARG 138 -3.329 21.919 -2.630 1040 HA ARG 138 HA ARG 138 -0.907 22.644 -3.735 1041 HB2 ARG 138 HB2 ARG 138 -0.976 24.547 -2.026 1042 HB3 ARG 138 HB3 ARG 138 -2.349 24.393 -3.112 1043 HG2 ARG 138 HG2 ARG 138 -2.692 22.896 -0.643 1044 HG3 ARG 138 HG3 ARG 138 -2.464 24.626 -0.381 1045 HD2 ARG 138 HD2 ARG 138 -4.483 25.122 -1.202 1046 HD3 ARG 138 HD3 ARG 138 -4.276 24.045 -2.582 1047 HE ARG 138 HE ARG 138 -4.758 22.557 -0.223 1048 HH11 ARG 138 HH11 ARG 138 -6.351 24.573 -2.571 1049 HH12 ARG 138 HH12 ARG 138 -7.900 23.831 -2.350 1050 HH21 ARG 138 HH21 ARG 138 -6.793 21.572 0.077 1051 HH22 ARG 138 HH22 ARG 138 -8.151 22.124 -0.843 1052 H ASP 139 H ASP 139 1.066 23.406 -2.568 1053 HA ASP 139 HA ASP 139 1.805 22.490 -0.033 1054 HB2 ASP 139 HB2 ASP 139 1.701 20.391 -1.887 1055 HB3 ASP 139 3HB ASP 139 3.411 20.777 -1.725 1056 H LEU 140 H LEU 140 4.341 22.342 0.103 1057 HA LEU 140 HA LEU 140 5.801 23.814 -1.869 1058 HB2 LEU 140 HB2 LEU 140 4.605 25.200 0.420 1059 HB3 LEU 140 3HB LEU 140 6.331 25.492 0.216 1060 HG LEU 140 HG LEU 140 4.800 25.785 -2.257 1061 HD11 LEU 140 HD11 LEU 140 4.176 27.515 0.124 1062 HD12 LEU 140 HD12 LEU 140 3.049 26.613 -0.891 1063 HD13 LEU 140 HD13 LEU 140 3.894 28.017 -1.544 1064 HD21 LEU 140 HD21 LEU 140 6.254 28.075 -1.203 1065 HD22 LEU 140 HD22 LEU 140 6.469 27.193 -2.716 1066 HD23 LEU 140 HD23 LEU 140 7.223 26.601 -1.235 1067 H GLU 141 H GLU 141 6.109 23.742 1.673 1068 HA GLU 141 HA GLU 141 7.808 23.029 3.018 1069 HB2 GLU 141 HB2 GLU 141 6.912 20.841 1.427 1070 HB3 GLU 141 HB3 GLU 141 8.652 20.690 1.625 1071 HG2 GLU 141 HG2 GLU 141 7.244 19.528 3.348 1072 HG3 GLU 141 HG3 GLU 141 8.484 20.614 3.972 1073 H HIS 142 H HIS 142 9.332 24.628 2.662 1074 HA HIS 142 HA HIS 142 11.294 24.212 0.531 1075 HB2 HIS 142 HB2 HIS 142 10.571 26.537 2.281 1076 HB3 HIS 142 3HB HIS 142 12.139 26.493 1.483 1077 HD1 HIS 142 HD1 HIS 142 11.088 25.222 -1.211 1078 HD2 HIS 142 HD2 HIS 142 9.464 28.522 0.723 1079 HE1 HIS 142 HE1 HIS 142 9.873 26.516 -2.992 1080 H HIS 143 H HIS 143 12.326 22.389 1.482 1081 HA HIS 143 HA HIS 143 14.404 23.143 3.357 1082 HB2 HIS 143 HB2 HIS 143 13.956 21.436 4.974 1083 HB3 HIS 143 3HB HIS 143 12.467 22.351 4.756 1084 HD1 HIS 143 HD1 HIS 143 10.533 21.152 3.438 1085 HD2 HIS 143 HD2 HIS 143 13.810 18.754 4.317 1086 HE1 HIS 143 HE1 HIS 143 9.758 18.790 3.062 1087 H HIS 144 H HIS 144 15.570 20.791 3.894 1088 HA HIS 144 HA HIS 144 15.703 19.068 1.604 1089 HB2 HIS 144 HB2 HIS 144 17.257 21.378 1.477 1090 HB3 HIS 144 3HB HIS 144 18.382 20.127 1.994 1091 HD1 HIS 144 HD1 HIS 144 15.566 20.057 -0.573 1092 HD2 HIS 144 HD2 HIS 144 19.633 19.278 -0.239 1093 HE1 HIS 144 HE1 HIS 144 16.270 19.183 -2.824 1094 H HIS 145 H HIS 145 17.291 17.326 1.893 1095 HA HIS 145 HA HIS 145 17.543 16.661 4.722 1096 HB2 HIS 145 HB2 HIS 145 17.969 14.385 3.964 1097 HB3 HIS 145 3HB HIS 145 16.520 15.017 3.187 1098 HD1 HIS 145 HD1 HIS 145 16.447 14.874 0.702 1099 HD2 HIS 145 HD2 HIS 145 20.302 14.430 2.187 1100 HE1 HIS 145 HE1 HIS 145 17.867 14.271 -1.284 1101 H HIS 146 H HIS 146 19.631 14.976 4.841 1102 HA HIS 146 HA HIS 146 21.996 16.034 3.621 1103 HB2 HIS 146 HB2 HIS 146 21.686 17.777 5.281 1104 HB3 HIS 146 3HB HIS 146 21.502 16.577 6.556 1105 HD1 HIS 146 HD1 HIS 146 24.023 18.510 4.710 1106 HD2 HIS 146 HD2 HIS 146 23.944 15.199 7.218 1107 HE1 HIS 146 HE1 HIS 146 26.405 18.161 5.438 1108 H HIS 147 H HIS 147 21.434 14.611 6.834 1109 HA HIS 147 HA HIS 147 23.399 12.584 6.390 1110 HB2 HIS 147 HB2 HIS 147 22.220 13.718 8.620 1111 HB3 HIS 147 3HB HIS 147 21.548 12.089 8.597 1112 HD1 HIS 147 HD1 HIS 147 24.241 13.839 10.015 1113 HD2 HIS 147 HD2 HIS 147 23.895 10.146 8.143 1114 HE1 HIS 147 HE1 HIS 147 26.243 12.514 10.766 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -8.157 2.433 -17.215 2 HA MET 1 HA MET 1 -6.231 1.320 -17.709 3 HB2 MET 1 HB2 MET 1 -5.716 1.134 -20.125 4 HB3 MET 1 HB3 MET 1 -7.419 0.877 -19.770 5 HG2 MET 1 HG2 MET 1 -7.712 3.355 -20.347 6 HG3 MET 1 HG3 MET 1 -6.108 3.235 -21.066 7 HE1 MET 1 HE1 MET 1 -6.310 1.057 -23.968 8 HE2 MET 1 HE2 MET 1 -6.323 2.819 -24.045 9 HE3 MET 1 HE3 MET 1 -5.395 1.997 -22.790 10 H ASP 2 H ASP 2 -6.357 4.651 -18.769 11 HA ASP 2 HA ASP 2 -3.504 4.901 -19.067 12 HB2 ASP 2 HB2 ASP 2 -5.722 6.383 -19.888 13 HB3 ASP 2 3HB ASP 2 -4.911 7.415 -18.713 14 H ASP 3 H ASP 3 -2.901 7.278 -17.856 15 HA ASP 3 HA ASP 3 -3.650 7.583 -15.187 16 HB2 ASP 3 HB2 ASP 3 -2.728 5.724 -14.288 17 HB3 ASP 3 3HB ASP 3 -1.685 5.450 -15.680 18 H ARG 4 H ARG 4 -2.428 9.187 -14.092 19 HA ARG 4 HA ARG 4 -0.260 10.433 -15.618 20 HB2 ARG 4 HB2 ARG 4 -1.224 12.594 -15.568 21 HB3 ARG 4 HB3 ARG 4 -2.494 11.520 -16.138 22 HG2 ARG 4 HG2 ARG 4 -3.225 11.433 -13.669 23 HG3 ARG 4 HG3 ARG 4 -2.223 12.873 -13.487 24 HD2 ARG 4 HD2 ARG 4 -3.546 13.739 -15.546 25 HD3 ARG 4 HD3 ARG 4 -4.706 12.485 -15.110 26 HE ARG 4 HE ARG 4 -4.266 13.844 -12.785 27 HH11 ARG 4 HH11 ARG 4 -5.288 14.725 -15.994 28 HH12 ARG 4 HH12 ARG 4 -6.257 16.058 -15.460 29 HH21 ARG 4 HH21 ARG 4 -5.538 15.597 -12.070 30 HH22 ARG 4 HH22 ARG 4 -6.398 16.553 -13.228 31 H THR 5 H THR 5 -0.436 8.855 -13.129 32 HA THR 5 HA THR 5 0.009 10.698 -10.962 33 HB THR 5 HB THR 5 0.513 8.730 -9.614 34 HG1 THR 5 HG1 THR 5 0.687 7.519 -12.147 35 HG21 THR 5 HG21 THR 5 -1.801 9.127 -9.764 36 HG22 THR 5 HG22 THR 5 -1.622 7.407 -10.112 37 HG23 THR 5 HG23 THR 5 -1.879 8.552 -11.428 38 H GLU 6 H GLU 6 2.041 10.431 -9.604 39 HA GLU 6 HA GLU 6 4.465 9.538 -10.638 40 HB2 GLU 6 HB2 GLU 6 3.619 11.743 -12.066 41 HB3 GLU 6 HB3 GLU 6 4.708 12.443 -10.875 42 HG2 GLU 6 HG2 GLU 6 6.444 10.823 -11.583 43 HG3 GLU 6 HG3 GLU 6 5.353 10.269 -12.853 44 H TYR 7 H TYR 7 3.066 9.730 -8.157 45 HA TYR 7 HA TYR 7 5.118 11.112 -6.575 46 HB2 TYR 7 HB2 TYR 7 2.129 11.297 -6.212 47 HB3 TYR 7 3HB TYR 7 3.266 11.702 -4.932 48 HD1 TYR 7 HD1 TYR 7 5.367 13.159 -6.258 49 HD2 TYR 7 HD2 TYR 7 1.177 13.253 -6.993 50 HE1 TYR 7 HE1 TYR 7 5.583 15.435 -7.165 51 HE2 TYR 7 HE2 TYR 7 1.381 15.529 -7.903 52 HH TYR 7 HH TYR 7 2.941 17.457 -7.707 53 H ASP 8 H ASP 8 2.491 9.932 -4.807 54 HA ASP 8 HA ASP 8 3.498 7.227 -4.538 55 HB2 ASP 8 HB2 ASP 8 4.969 8.364 -3.000 56 HB3 ASP 8 3HB ASP 8 3.615 9.212 -2.260 57 H VAL 9 H VAL 9 2.104 5.864 -3.255 58 HA VAL 9 HA VAL 9 -0.670 6.747 -3.407 59 HB VAL 9 HB VAL 9 0.553 4.032 -2.913 60 HG11 VAL 9 HG11 VAL 9 -2.348 4.846 -2.991 61 HG12 VAL 9 HG12 VAL 9 -1.778 3.179 -3.085 62 HG13 VAL 9 HG13 VAL 9 -1.475 4.134 -1.634 63 HG21 VAL 9 HG21 VAL 9 -0.394 3.484 -5.088 64 HG22 VAL 9 HG22 VAL 9 -1.055 5.112 -5.228 65 HG23 VAL 9 HG23 VAL 9 0.692 4.868 -5.215 66 H TYR 10 H TYR 10 -2.067 6.849 -1.687 67 HA TYR 10 HA TYR 10 -0.931 7.405 0.863 68 HB2 TYR 10 HB2 TYR 10 -2.902 8.607 0.143 69 HB3 TYR 10 3HB TYR 10 -3.808 7.106 -0.021 70 HD1 TYR 10 HD1 TYR 10 -1.622 8.388 2.724 71 HD2 TYR 10 HD2 TYR 10 -5.513 7.136 1.543 72 HE1 TYR 10 HE1 TYR 10 -2.392 8.603 5.050 73 HE2 TYR 10 HE2 TYR 10 -6.294 7.350 3.865 74 HH TYR 10 HH TYR 10 -5.212 8.979 6.026 75 H THR 11 H THR 11 0.150 5.344 1.216 76 HA THR 11 HA THR 11 -1.647 3.429 2.527 77 HB THR 11 HB THR 11 -0.138 1.572 1.704 78 HG1 THR 11 HG1 THR 11 1.577 2.918 0.957 79 HG21 THR 11 HG21 THR 11 -2.307 2.890 0.420 80 HG22 THR 11 HG22 THR 11 -1.853 1.189 0.337 81 HG23 THR 11 HG23 THR 11 -1.187 2.337 -0.823 82 H ASP 12 H ASP 12 -0.581 2.077 4.127 83 HA ASP 12 HA ASP 12 0.784 1.729 5.914 84 HB2 ASP 12 HB2 ASP 12 2.981 3.327 4.657 85 HB3 ASP 12 3HB ASP 12 3.079 1.847 5.606 86 H GLY 13 H GLY 13 -0.726 3.226 6.981 87 HA2 GLY 13 HA1 GLY 13 0.299 4.891 8.794 88 HA3 GLY 13 HA2 GLY 13 0.224 5.947 7.392 89 H SER 14 H SER 14 -1.642 4.134 9.727 90 HA SER 14 HA SER 14 -3.749 5.996 9.756 91 HB2 SER 14 HB2 SER 14 -3.944 4.260 7.586 92 HB3 SER 14 3HB SER 14 -5.041 3.575 8.785 93 HG SER 14 HG SER 14 -5.212 5.940 7.370 94 H TYR 15 H TYR 15 -5.484 5.376 11.218 95 HA TYR 15 HA TYR 15 -5.605 2.951 12.601 96 HB2 TYR 15 HB2 TYR 15 -4.625 3.768 14.803 97 HB3 TYR 15 3HB TYR 15 -3.469 3.351 13.543 98 HD1 TYR 15 HD1 TYR 15 -5.131 6.187 15.247 99 HD2 TYR 15 HD2 TYR 15 -1.950 4.960 12.701 100 HE1 TYR 15 HE1 TYR 15 -4.112 8.416 15.454 101 HE2 TYR 15 HE2 TYR 15 -0.922 7.184 12.901 102 HH TYR 15 HH TYR 15 -2.328 9.675 14.998 103 H VAL 16 H VAL 16 -7.085 3.005 14.402 104 HA VAL 16 HA VAL 16 -8.516 5.526 14.810 105 HB VAL 16 HB VAL 16 -9.788 4.507 13.046 106 HG11 VAL 16 HG11 VAL 16 -8.879 2.185 13.521 107 HG12 VAL 16 HG12 VAL 16 -10.156 2.044 14.730 108 HG13 VAL 16 HG13 VAL 16 -10.569 2.285 13.031 109 HG21 VAL 16 HG21 VAL 16 -10.921 5.488 15.144 110 HG22 VAL 16 HG22 VAL 16 -11.906 4.560 14.013 111 HG23 VAL 16 HG23 VAL 16 -11.346 3.816 15.511 112 H ASN 17 H ASN 17 -8.437 5.820 16.935 113 HA ASN 17 HA ASN 17 -8.749 5.484 19.167 114 HB2 ASN 17 HB2 ASN 17 -10.814 4.225 18.284 115 HB3 ASN 17 3HB ASN 17 -9.883 2.758 18.573 116 HD21 ASN 17 HD21 ASN 17 -12.272 4.364 19.827 117 HD22 ASN 17 HD22 ASN 17 -11.977 4.183 21.520 118 H GLY 18 H GLY 18 -8.176 2.146 18.051 119 HA2 GLY 18 HA1 GLY 18 -5.444 2.154 18.919 120 HA3 GLY 18 HA2 GLY 18 -6.498 1.328 20.056 121 H GLN 19 H GLN 19 -7.240 1.281 16.668 122 HA GLN 19 HA GLN 19 -6.409 -1.544 16.573 123 HB2 GLN 19 HB2 GLN 19 -8.937 -0.300 16.026 124 HB3 GLN 19 HB3 GLN 19 -8.328 -1.047 14.555 125 HG2 GLN 19 HG2 GLN 19 -7.873 -2.965 16.478 126 HG3 GLN 19 HG3 GLN 19 -9.420 -2.262 16.952 127 HE21 GLN 19 HE21 GLN 19 -10.473 -1.623 14.496 128 HE22 GLN 19 HE22 GLN 19 -10.782 -3.072 13.607 129 H TYR 20 H TYR 20 -6.521 -2.163 14.004 130 HA TYR 20 HA TYR 20 -4.603 -0.317 12.745 131 HB2 TYR 20 HB2 TYR 20 -3.612 -2.188 11.644 132 HB3 TYR 20 3HB TYR 20 -3.800 -2.635 13.335 133 HD1 TYR 20 HD1 TYR 20 -5.723 -4.135 13.985 134 HD2 TYR 20 HD2 TYR 20 -4.620 -3.460 9.932 135 HE1 TYR 20 HE1 TYR 20 -6.954 -6.158 13.319 136 HE2 TYR 20 HE2 TYR 20 -5.850 -5.480 9.254 137 HH TYR 20 HH TYR 20 -6.825 -7.389 10.032 138 H ALA 21 H ALA 21 -5.018 0.506 10.776 139 HA ALA 21 HA ALA 21 -7.369 -0.516 9.323 140 HB1 ALA 21 HB1 ALA 21 -6.591 2.390 9.499 141 HB2 ALA 21 HB2 ALA 21 -8.041 1.708 8.762 142 HB3 ALA 21 HB3 ALA 21 -7.822 1.633 10.510 143 H TRP 22 H TRP 22 -7.374 0.403 6.999 144 HA TRP 22 HA TRP 22 -4.722 0.791 5.882 145 HB2 TRP 22 HB2 TRP 22 -5.182 -1.083 4.195 146 HB3 TRP 22 3HB TRP 22 -4.694 -1.565 5.817 147 HD1 TRP 22 HD1 TRP 22 -6.485 -2.836 7.314 148 HE1 TRP 22 HE1 TRP 22 -8.719 -3.984 6.750 149 HE3 TRP 22 HE3 TRP 22 -7.241 -0.895 2.645 150 HZ2 TRP 22 HZ2 TRP 22 -10.558 -4.057 4.610 151 HZ3 TRP 22 HZ3 TRP 22 -9.262 -1.554 1.406 152 HH2 TRP 22 HH2 TRP 22 -10.885 -3.104 2.370 153 H ALA 23 H ALA 23 -4.789 2.140 4.193 154 HA ALA 23 HA ALA 23 -7.252 2.370 2.627 155 HB1 ALA 23 HB1 ALA 23 -7.491 4.673 2.906 156 HB2 ALA 23 HB2 ALA 23 -7.146 4.083 4.532 157 HB3 ALA 23 HB3 ALA 23 -5.873 4.853 3.586 158 H TYR 24 H TYR 24 -6.931 3.653 0.628 159 HA TYR 24 HA TYR 24 -4.260 4.171 -0.275 160 HB2 TYR 24 HB2 TYR 24 -4.630 2.501 -2.259 161 HB3 TYR 24 3HB TYR 24 -3.977 1.918 -0.732 162 HD1 TYR 24 HD1 TYR 24 -7.264 2.383 -2.449 163 HD2 TYR 24 HD2 TYR 24 -4.926 0.039 0.224 164 HE1 TYR 24 HE1 TYR 24 -9.087 0.738 -2.306 165 HE2 TYR 24 HE2 TYR 24 -6.742 -1.611 0.374 166 HH TYR 24 HH TYR 24 -8.767 -2.278 -1.290 167 H ALA 25 H ALA 25 -4.206 5.396 -2.146 168 HA ALA 25 HA ALA 25 -6.811 6.417 -3.016 169 HB1 ALA 25 HB1 ALA 25 -5.570 8.329 -3.894 170 HB2 ALA 25 HB2 ALA 25 -5.213 8.065 -2.187 171 HB3 ALA 25 HB3 ALA 25 -4.052 7.568 -3.419 172 H PHE 26 H PHE 26 -7.605 5.319 -4.698 173 HA PHE 26 HA PHE 26 -5.810 4.298 -6.757 174 HB2 PHE 26 HB2 PHE 26 -8.613 3.758 -5.928 175 HB3 PHE 26 3HB PHE 26 -8.219 3.517 -7.627 176 HD1 PHE 26 HD1 PHE 26 -6.667 2.752 -4.316 177 HD2 PHE 26 HD2 PHE 26 -7.687 1.375 -8.213 178 HE1 PHE 26 HE1 PHE 26 -5.724 0.544 -3.779 179 HE2 PHE 26 HE2 PHE 26 -6.746 -0.837 -7.681 180 HZ PHE 26 HZ PHE 26 -5.762 -1.253 -5.462 181 H VAL 27 H VAL 27 -5.721 5.030 -8.822 182 HA VAL 27 HA VAL 27 -7.657 6.987 -9.766 183 HB VAL 27 HB VAL 27 -4.753 7.620 -9.320 184 HG11 VAL 27 HG11 VAL 27 -4.740 8.418 -11.432 185 HG12 VAL 27 HG12 VAL 27 -6.500 8.499 -11.526 186 HG13 VAL 27 HG13 VAL 27 -5.602 9.770 -10.698 187 HG21 VAL 27 HG21 VAL 27 -6.408 8.234 -7.594 188 HG22 VAL 27 HG22 VAL 27 -5.627 9.640 -8.316 189 HG23 VAL 27 HG23 VAL 27 -7.267 9.201 -8.793 190 H LYS 28 H LYS 28 -8.264 6.073 -11.617 191 HA LYS 28 HA LYS 28 -6.189 4.936 -13.372 192 HB2 LYS 28 HB2 LYS 28 -7.907 3.539 -14.344 193 HB3 LYS 28 HB3 LYS 28 -7.927 3.346 -12.597 194 HG2 LYS 28 HG2 LYS 28 -10.101 3.754 -12.649 195 HG3 LYS 28 HG3 LYS 28 -9.725 5.413 -13.125 196 HD2 LYS 28 HD2 LYS 28 -9.487 3.894 -15.461 197 HD3 LYS 28 HD3 LYS 28 -10.940 3.295 -14.658 198 HE2 LYS 28 HE2 LYS 28 -11.805 5.570 -14.510 199 HE3 LYS 28 HE3 LYS 28 -10.341 6.188 -15.274 200 HZ1 LYS 28 HZ1 LYS 28 -11.184 5.759 -17.262 201 HZ2 LYS 28 HZ2 LYS 28 -12.649 5.340 -16.529 202 HZ3 LYS 28 HZ3 LYS 28 -11.498 4.146 -16.859 203 H ASP 29 H ASP 29 -6.076 5.546 -15.504 204 HA ASP 29 HA ASP 29 -6.392 6.794 -17.386 205 HB2 ASP 29 HB2 ASP 29 -8.868 6.145 -16.859 206 HB3 ASP 29 3HB ASP 29 -9.010 7.825 -16.345 207 H GLY 30 H GLY 30 -5.719 7.880 -14.493 208 HA2 GLY 30 HA1 GLY 30 -4.554 9.842 -13.973 209 HA3 GLY 30 HA2 GLY 30 -5.168 10.571 -15.449 210 H LYS 31 H LYS 31 -7.410 9.003 -13.346 211 HA LYS 31 HA LYS 31 -8.105 11.461 -11.958 212 HB2 LYS 31 HB2 LYS 31 -10.455 11.383 -12.707 213 HB3 LYS 31 HB3 LYS 31 -9.344 11.695 -14.035 214 HG2 LYS 31 HG2 LYS 31 -9.464 9.119 -14.384 215 HG3 LYS 31 HG3 LYS 31 -10.956 9.256 -13.448 216 HD2 LYS 31 HD2 LYS 31 -11.659 9.457 -15.668 217 HD3 LYS 31 HD3 LYS 31 -11.583 11.124 -15.093 218 HE2 LYS 31 HE2 LYS 31 -9.563 11.532 -16.236 219 HE3 LYS 31 HE3 LYS 31 -9.285 9.815 -16.518 220 HZ1 LYS 31 HZ1 LYS 31 -10.932 9.743 -18.146 221 HZ2 LYS 31 HZ2 LYS 31 -10.128 11.200 -18.454 222 HZ3 LYS 31 HZ3 LYS 31 -11.624 11.210 -17.665 223 H VAL 32 H VAL 32 -9.682 11.129 -10.257 224 HA VAL 32 HA VAL 32 -9.220 8.832 -8.741 225 HB VAL 32 HB VAL 32 -11.542 10.756 -8.541 226 HG11 VAL 32 HG11 VAL 32 -10.452 8.801 -6.518 227 HG12 VAL 32 HG12 VAL 32 -11.730 9.984 -6.226 228 HG13 VAL 32 HG13 VAL 32 -11.991 8.665 -7.368 229 HG21 VAL 32 HG21 VAL 32 -10.063 12.236 -7.799 230 HG22 VAL 32 HG22 VAL 32 -9.638 11.135 -6.488 231 HG23 VAL 32 HG23 VAL 32 -8.755 11.072 -8.013 232 H HIS 33 H HIS 33 -10.096 6.861 -8.704 233 HA HIS 33 HA HIS 33 -12.421 6.357 -10.434 234 HB2 HIS 33 HB2 HIS 33 -10.446 5.125 -11.119 235 HB3 HIS 33 3HB HIS 33 -10.238 4.486 -9.491 236 HD1 HIS 33 HD1 HIS 33 -12.403 4.132 -12.540 237 HD2 HIS 33 HD2 HIS 33 -11.798 2.279 -8.872 238 HE1 HIS 33 HE1 HIS 33 -13.695 1.978 -12.655 239 H TYR 34 H TYR 34 -10.960 5.042 -7.453 240 HA TYR 34 HA TYR 34 -13.475 5.231 -6.059 241 HB2 TYR 34 HB2 TYR 34 -14.145 3.080 -6.084 242 HB3 TYR 34 3HB TYR 34 -13.113 2.927 -7.502 243 HD1 TYR 34 HD1 TYR 34 -10.745 2.095 -7.187 244 HD2 TYR 34 HD2 TYR 34 -13.675 1.887 -4.108 245 HE1 TYR 34 HE1 TYR 34 -9.398 0.395 -6.029 246 HE2 TYR 34 HE2 TYR 34 -12.334 0.187 -2.940 247 HH TYR 34 HH TYR 34 -10.613 -1.429 -3.388 248 H GLU 35 H GLU 35 -13.268 4.364 -3.794 249 HA GLU 35 HA GLU 35 -10.643 3.928 -2.737 250 HB2 GLU 35 HB2 GLU 35 -10.692 5.977 -1.266 251 HB3 GLU 35 HB3 GLU 35 -10.365 6.278 -2.967 252 HG2 GLU 35 HG2 GLU 35 -12.161 7.564 -3.188 253 HG3 GLU 35 HG3 GLU 35 -13.197 6.403 -2.359 254 H ASP 36 H ASP 36 -11.375 2.194 -1.618 255 HA ASP 36 HA ASP 36 -13.803 2.288 -0.074 256 HB2 ASP 36 HB2 ASP 36 -11.886 0.255 -0.918 257 HB3 ASP 36 3HB ASP 36 -12.426 0.029 0.743 258 H ALA 37 H ALA 37 -10.584 1.255 1.021 259 HA ALA 37 HA ALA 37 -9.408 1.680 2.923 260 HB1 ALA 37 HB1 ALA 37 -11.068 4.173 3.211 261 HB2 ALA 37 HB2 ALA 37 -9.457 3.864 3.859 262 HB3 ALA 37 HB3 ALA 37 -9.689 4.041 2.120 263 H ASP 38 H ASP 38 -9.849 0.240 4.464 264 HA ASP 38 HA ASP 38 -11.971 0.838 6.366 265 HB2 ASP 38 HB2 ASP 38 -11.772 -1.798 4.897 266 HB3 ASP 38 3HB ASP 38 -12.778 -1.523 6.317 267 H VAL 39 H VAL 39 -11.886 -1.235 8.026 268 HA VAL 39 HA VAL 39 -9.044 -1.443 8.784 269 HB VAL 39 HB VAL 39 -9.814 -1.623 11.129 270 HG11 VAL 39 HG11 VAL 39 -9.766 0.688 9.481 271 HG12 VAL 39 HG12 VAL 39 -11.040 0.897 10.685 272 HG13 VAL 39 HG13 VAL 39 -9.388 0.553 11.198 273 HG21 VAL 39 HG21 VAL 39 -12.519 -0.868 10.029 274 HG22 VAL 39 HG22 VAL 39 -12.081 -2.468 10.631 275 HG23 VAL 39 HG23 VAL 39 -12.096 -1.086 11.727 276 H GLY 40 H GLY 40 -8.750 -3.336 10.428 277 HA2 GLY 40 HA1 GLY 40 -10.250 -5.678 9.432 278 HA3 GLY 40 HA2 GLY 40 -8.501 -5.707 9.602 279 H LYS 41 H LYS 41 -9.895 -7.638 10.847 280 HA LYS 41 HA LYS 41 -9.624 -6.889 13.676 281 HB2 LYS 41 HB2 LYS 41 -11.783 -8.697 12.579 282 HB3 LYS 41 HB3 LYS 41 -11.559 -8.240 14.263 283 HG2 LYS 41 HG2 LYS 41 -12.632 -6.303 13.999 284 HG3 LYS 41 HG3 LYS 41 -11.827 -5.958 12.465 285 HD2 LYS 41 HD2 LYS 41 -13.538 -6.763 11.258 286 HD3 LYS 41 HD3 LYS 41 -13.749 -8.158 12.319 287 HE2 LYS 41 HE2 LYS 41 -15.738 -6.841 12.437 288 HE3 LYS 41 HE3 LYS 41 -14.869 -6.642 13.958 289 HZ1 LYS 41 HZ1 LYS 41 -15.762 -4.550 13.004 290 HZ2 LYS 41 HZ2 LYS 41 -14.700 -4.725 11.699 291 HZ3 LYS 41 HZ3 LYS 41 -14.090 -4.518 13.263 292 H ASN 42 H ASN 42 -8.360 -8.636 11.301 293 HA ASN 42 HA ASN 42 -8.189 -11.264 12.269 294 HB2 ASN 42 HB2 ASN 42 -6.239 -9.691 10.574 295 HB3 ASN 42 3HB ASN 42 -6.159 -11.431 10.832 296 HD21 ASN 42 HD21 ASN 42 -6.774 -12.413 9.052 297 HD22 ASN 42 HD22 ASN 42 -8.148 -12.004 8.086 298 HA PRO 43 HA PRO 43 -5.467 -11.019 15.708 299 HB2 PRO 43 HB2 PRO 43 -4.259 -13.446 15.552 300 HB3 PRO 43 HB3 PRO 43 -5.936 -13.239 16.069 301 HG2 PRO 43 HG2 PRO 43 -4.864 -14.038 13.391 302 HG3 PRO 43 HG3 PRO 43 -6.239 -14.706 14.291 303 HD2 PRO 43 HD2 PRO 43 -6.547 -12.946 12.256 304 HD3 PRO 43 HD3 PRO 43 -7.652 -13.004 13.644 305 H ALA 44 H ALA 44 -3.910 -12.446 12.829 306 HA ALA 44 HA ALA 44 -1.272 -11.965 13.469 307 HB1 ALA 44 HB1 ALA 44 -0.756 -12.315 11.219 308 HB2 ALA 44 HB2 ALA 44 -2.261 -13.203 11.456 309 HB3 ALA 44 HB3 ALA 44 -2.283 -11.626 10.666 310 H ALA 45 H ALA 45 -3.704 -9.724 12.373 311 HA ALA 45 HA ALA 45 -1.708 -7.600 12.069 312 HB1 ALA 45 HB1 ALA 45 -3.220 -7.708 10.236 313 HB2 ALA 45 HB2 ALA 45 -4.617 -7.746 11.312 314 HB3 ALA 45 HB3 ALA 45 -3.646 -6.280 11.180 315 H ALA 46 H ALA 46 -4.084 -8.779 14.241 316 HA ALA 46 HA ALA 46 -4.328 -6.239 15.653 317 HB1 ALA 46 HB1 ALA 46 -5.993 -7.324 17.005 318 HB2 ALA 46 HB2 ALA 46 -6.313 -7.691 15.309 319 HB3 ALA 46 HB3 ALA 46 -5.560 -8.903 16.346 320 H THR 47 H THR 47 -1.865 -8.104 15.486 321 HA THR 47 HA THR 47 -1.358 -8.170 18.389 322 HB THR 47 HB THR 47 -1.528 -10.451 17.387 323 HG1 THR 47 HG1 THR 47 -0.160 -10.904 18.926 324 HG21 THR 47 HG21 THR 47 1.062 -10.531 16.171 325 HG22 THR 47 HG22 THR 47 0.084 -9.298 15.375 326 HG23 THR 47 HG23 THR 47 -0.502 -10.958 15.477 327 H MET 48 H MET 48 -0.618 -6.621 15.602 328 HA MET 48 HA MET 48 2.117 -6.008 16.513 329 HB2 MET 48 HB2 MET 48 1.011 -6.398 13.760 330 HB3 MET 48 HB3 MET 48 2.357 -5.290 13.995 331 HG2 MET 48 HG2 MET 48 2.716 -7.885 15.288 332 HG3 MET 48 HG3 MET 48 2.572 -7.964 13.534 333 HE1 MET 48 HE1 MET 48 5.601 -5.070 15.444 334 HE2 MET 48 HE2 MET 48 3.934 -4.658 15.040 335 HE3 MET 48 HE3 MET 48 4.270 -5.797 16.346 336 H ARG 49 H ARG 49 -0.488 -4.766 17.205 337 HA ARG 49 HA ARG 49 -1.304 -2.680 17.604 338 HB2 ARG 49 HB2 ARG 49 1.424 -1.857 16.600 339 HB3 ARG 49 HB3 ARG 49 0.259 -0.750 17.315 340 HG2 ARG 49 HG2 ARG 49 0.360 -2.597 19.254 341 HG3 ARG 49 HG3 ARG 49 1.985 -2.773 18.588 342 HD2 ARG 49 HD2 ARG 49 1.915 -0.125 18.718 343 HD3 ARG 49 HD3 ARG 49 0.733 -0.467 19.981 344 HE ARG 49 HE ARG 49 3.167 -1.966 20.254 345 HH11 ARG 49 HH11 ARG 49 1.579 1.052 20.950 346 HH12 ARG 49 HH12 ARG 49 2.585 1.418 22.312 347 HH21 ARG 49 HH21 ARG 49 4.499 -1.497 22.045 348 HH22 ARG 49 HH22 ARG 49 4.246 -0.032 22.933 349 H ASN 50 H ASN 50 0.698 -1.674 14.876 350 HA ASN 50 HA ASN 50 -1.563 -1.699 13.061 351 HB2 ASN 50 HB2 ASN 50 -1.048 0.801 12.538 352 HB3 ASN 50 3HB ASN 50 -2.076 0.407 13.913 353 HD21 ASN 50 HD21 ASN 50 -1.411 0.891 15.942 354 HD22 ASN 50 HD22 ASN 50 0.048 1.746 16.298 355 H VAL 51 H VAL 51 1.326 -2.664 13.445 356 HA VAL 51 HA VAL 51 2.830 -1.461 11.333 357 HB VAL 51 HB VAL 51 3.270 -4.145 12.649 358 HG11 VAL 51 HG11 VAL 51 4.913 -4.373 11.172 359 HG12 VAL 51 HG12 VAL 51 4.605 -2.765 10.512 360 HG13 VAL 51 HG13 VAL 51 5.693 -2.963 11.886 361 HG21 VAL 51 HG21 VAL 51 4.739 -3.040 14.184 362 HG22 VAL 51 HG22 VAL 51 4.521 -1.496 13.361 363 HG23 VAL 51 HG23 VAL 51 3.177 -2.225 14.239 364 H ALA 52 H ALA 52 0.791 -4.319 11.632 365 HA ALA 52 HA ALA 52 1.405 -5.324 9.020 366 HB1 ALA 52 HB1 ALA 52 0.147 -7.119 9.576 367 HB2 ALA 52 HB2 ALA 52 0.379 -6.481 11.203 368 HB3 ALA 52 HB3 ALA 52 -1.114 -6.142 10.328 369 H GLY 53 H GLY 53 -1.393 -3.642 10.444 370 HA2 GLY 53 HA1 GLY 53 -3.020 -3.552 8.195 371 HA3 GLY 53 HA2 GLY 53 -3.024 -2.349 9.476 372 H GLU 54 H GLU 54 -0.410 -1.353 9.137 373 HA GLU 54 HA GLU 54 -0.807 0.643 7.251 374 HB2 GLU 54 HB2 GLU 54 1.658 -0.414 8.605 375 HB3 GLU 54 HB3 GLU 54 1.771 0.873 7.413 376 HG2 GLU 54 HG2 GLU 54 0.682 2.394 8.745 377 HG3 GLU 54 HG3 GLU 54 -0.147 1.146 9.675 378 H ILE 55 H ILE 55 1.307 -2.215 6.975 379 HA ILE 55 HA ILE 55 1.945 -1.734 4.244 380 HB ILE 55 HB ILE 55 2.325 -4.067 6.087 381 HG12 ILE 55 HG12 ILE 55 4.557 -2.980 4.514 382 HG13 ILE 55 HG13 ILE 55 3.797 -1.809 5.584 383 HG21 ILE 55 HG21 ILE 55 3.667 -5.007 4.048 384 HG22 ILE 55 HG22 ILE 55 1.939 -5.319 4.200 385 HG23 ILE 55 HG23 ILE 55 2.514 -4.056 3.113 386 HD11 ILE 55 HD11 ILE 55 4.481 -2.882 7.468 387 HD12 ILE 55 HD12 ILE 55 4.494 -4.468 6.695 388 HD13 ILE 55 HD13 ILE 55 5.796 -3.321 6.377 389 H ALA 56 H ALA 56 -0.560 -3.533 5.891 390 HA ALA 56 HA ALA 56 -1.468 -5.258 3.963 391 HB1 ALA 56 HB1 ALA 56 -3.814 -4.299 5.015 392 HB2 ALA 56 HB2 ALA 56 -2.813 -5.571 5.718 393 HB3 ALA 56 HB3 ALA 56 -2.635 -3.904 6.265 394 H ALA 57 H ALA 57 -1.801 -1.778 4.077 395 HA ALA 57 HA ALA 57 -3.832 -1.411 2.201 396 HB1 ALA 57 HB1 ALA 57 -2.884 0.369 3.634 397 HB2 ALA 57 HB2 ALA 57 -1.439 0.374 2.621 398 HB3 ALA 57 HB3 ALA 57 -2.998 0.833 1.936 399 H ALA 58 H ALA 58 -0.305 -1.423 1.671 400 HA ALA 58 HA ALA 58 -0.287 -1.082 -1.072 401 HB1 ALA 58 HB1 ALA 58 1.570 -2.167 0.923 402 HB2 ALA 58 HB2 ALA 58 1.828 -2.748 -0.722 403 HB3 ALA 58 HB3 ALA 58 1.849 -1.017 -0.386 404 H LEU 59 H LEU 59 -0.597 -4.089 0.779 405 HA LEU 59 HA LEU 59 -0.470 -5.934 -1.272 406 HB2 LEU 59 HB2 LEU 59 -2.403 -6.126 1.024 407 HB3 LEU 59 3HB LEU 59 -1.631 -7.445 0.146 408 HG LEU 59 HG LEU 59 -0.502 -5.662 2.266 409 HD11 LEU 59 HD11 LEU 59 0.484 -8.171 2.605 410 HD12 LEU 59 HD12 LEU 59 -1.083 -8.507 1.870 411 HD13 LEU 59 HD13 LEU 59 -0.992 -7.559 3.354 412 HD21 LEU 59 HD21 LEU 59 1.297 -5.374 0.923 413 HD22 LEU 59 HD22 LEU 59 0.922 -6.781 -0.072 414 HD23 LEU 59 HD23 LEU 59 1.689 -6.992 1.503 415 H TYR 60 H TYR 60 -3.536 -4.782 0.144 416 HA TYR 60 HA TYR 60 -5.174 -5.739 -1.903 417 HB2 TYR 60 HB2 TYR 60 -5.797 -3.277 -0.278 418 HB3 TYR 60 3HB TYR 60 -6.922 -4.461 -0.934 419 HD1 TYR 60 HD1 TYR 60 -5.402 -6.949 -0.074 420 HD2 TYR 60 HD2 TYR 60 -6.420 -3.379 2.005 421 HE1 TYR 60 HE1 TYR 60 -5.350 -8.181 2.055 422 HE2 TYR 60 HE2 TYR 60 -6.369 -4.601 4.139 423 HH TYR 60 HH TYR 60 -5.000 -6.975 4.869 424 H ALA 61 H ALA 61 -3.398 -2.734 -1.599 425 HA ALA 61 HA ALA 61 -4.633 -1.238 -3.606 426 HB1 ALA 61 HB1 ALA 61 -3.049 -0.263 -2.045 427 HB2 ALA 61 HB2 ALA 61 -1.741 -1.212 -2.752 428 HB3 ALA 61 HB3 ALA 61 -2.539 0.037 -3.707 429 H VAL 62 H VAL 62 -2.106 -3.690 -3.790 430 HA VAL 62 HA VAL 62 -1.617 -3.292 -6.591 431 HB VAL 62 HB VAL 62 -0.841 -5.592 -4.790 432 HG11 VAL 62 HG11 VAL 62 0.783 -6.155 -6.532 433 HG12 VAL 62 HG12 VAL 62 -0.872 -6.254 -7.137 434 HG13 VAL 62 HG13 VAL 62 0.139 -4.867 -7.551 435 HG21 VAL 62 HG21 VAL 62 1.035 -3.496 -5.798 436 HG22 VAL 62 HG22 VAL 62 0.028 -3.166 -4.387 437 HG23 VAL 62 HG23 VAL 62 1.159 -4.519 -4.366 438 H LYS 63 H LYS 63 -3.357 -5.700 -4.650 439 HA LYS 63 HA LYS 63 -4.106 -7.470 -6.629 440 HB2 LYS 63 HB2 LYS 63 -5.761 -6.565 -4.264 441 HB3 LYS 63 HB3 LYS 63 -6.036 -8.027 -5.201 442 HG2 LYS 63 HG2 LYS 63 -3.866 -8.894 -4.498 443 HG3 LYS 63 HG3 LYS 63 -3.578 -7.421 -3.568 444 HD2 LYS 63 HD2 LYS 63 -4.574 -8.400 -1.837 445 HD3 LYS 63 HD3 LYS 63 -6.087 -8.351 -2.747 446 HE2 LYS 63 HE2 LYS 63 -5.956 -10.547 -3.345 447 HE3 LYS 63 HE3 LYS 63 -4.193 -10.554 -3.352 448 HZ1 LYS 63 HZ1 LYS 63 -4.154 -10.679 -0.995 449 HZ2 LYS 63 HZ2 LYS 63 -5.231 -11.867 -1.532 450 HZ3 LYS 63 HZ3 LYS 63 -5.822 -10.424 -0.877 451 H LYS 64 H LYS 64 -5.854 -4.557 -5.565 452 HA LYS 64 HA LYS 64 -7.899 -4.802 -7.531 453 HB2 LYS 64 HB2 LYS 64 -7.065 -2.734 -5.553 454 HB3 LYS 64 HB3 LYS 64 -8.103 -2.229 -6.881 455 HG2 LYS 64 HG2 LYS 64 -9.704 -2.778 -5.380 456 HG3 LYS 64 HG3 LYS 64 -9.476 -4.367 -6.113 457 HD2 LYS 64 HD2 LYS 64 -7.672 -4.662 -4.257 458 HD3 LYS 64 HD3 LYS 64 -8.542 -3.347 -3.460 459 HE2 LYS 64 HE2 LYS 64 -10.402 -4.619 -3.094 460 HE3 LYS 64 HE3 LYS 64 -10.133 -5.620 -4.521 461 HZ1 LYS 64 HZ1 LYS 64 -8.246 -6.644 -3.307 462 HZ2 LYS 64 HZ2 LYS 64 -9.751 -6.943 -2.599 463 HZ3 LYS 64 HZ3 LYS 64 -8.712 -5.792 -1.922 464 H ALA 65 H ALA 65 -4.743 -3.350 -7.466 465 HA ALA 65 HA ALA 65 -4.904 -1.479 -9.495 466 HB1 ALA 65 HB1 ALA 65 -2.550 -3.313 -9.115 467 HB2 ALA 65 HB2 ALA 65 -2.553 -1.652 -9.709 468 HB3 ALA 65 HB3 ALA 65 -2.924 -1.984 -8.017 469 H SER 66 H SER 66 -4.814 -4.966 -9.696 470 HA SER 66 HA SER 66 -4.292 -5.059 -12.514 471 HB2 SER 66 HB2 SER 66 -3.619 -7.012 -11.435 472 HB3 SER 66 3HB SER 66 -5.067 -7.076 -10.431 473 HG SER 66 HG SER 66 -4.877 -7.628 -13.208 474 H GLN 67 H GLN 67 -7.125 -4.916 -10.487 475 HA GLN 67 HA GLN 67 -9.042 -5.778 -12.357 476 HB2 GLN 67 HB2 GLN 67 -9.262 -3.921 -9.988 477 HB3 GLN 67 HB3 GLN 67 -10.648 -4.463 -10.924 478 HG2 GLN 67 HG2 GLN 67 -9.815 -6.835 -10.396 479 HG3 GLN 67 HG3 GLN 67 -8.838 -6.055 -9.153 480 HE21 GLN 67 HE21 GLN 67 -10.468 -4.135 -8.196 481 HE22 GLN 67 HE22 GLN 67 -11.876 -4.835 -7.479 482 H LEU 68 H LEU 68 -7.407 -2.738 -11.902 483 HA LEU 68 HA LEU 68 -9.129 -1.462 -13.907 484 HB2 LEU 68 HB2 LEU 68 -6.971 -0.035 -12.416 485 HB3 LEU 68 3HB LEU 68 -8.470 0.601 -13.091 486 HG LEU 68 HG LEU 68 -9.298 -1.174 -11.117 487 HD11 LEU 68 HD11 LEU 68 -6.872 -1.130 -10.383 488 HD12 LEU 68 HD12 LEU 68 -8.075 -0.713 -9.162 489 HD13 LEU 68 HD13 LEU 68 -7.140 0.558 -9.949 490 HD21 LEU 68 HD21 LEU 68 -10.162 0.766 -10.057 491 HD22 LEU 68 HD22 LEU 68 -10.196 1.077 -11.794 492 HD23 LEU 68 HD23 LEU 68 -8.933 1.797 -10.793 493 H GLY 69 H GLY 69 -6.190 -3.056 -13.620 494 HA2 GLY 69 HA1 GLY 69 -4.560 -3.476 -15.194 495 HA3 GLY 69 HA2 GLY 69 -5.486 -2.509 -16.332 496 H VAL 70 H VAL 70 -4.621 -1.081 -13.313 497 HA VAL 70 HA VAL 70 -2.590 0.543 -14.701 498 HB VAL 70 HB VAL 70 -3.138 2.394 -13.300 499 HG11 VAL 70 HG11 VAL 70 -5.145 2.968 -14.232 500 HG12 VAL 70 HG12 VAL 70 -4.744 1.567 -15.227 501 HG13 VAL 70 HG13 VAL 70 -5.880 1.403 -13.887 502 HG21 VAL 70 HG21 VAL 70 -3.620 1.807 -11.176 503 HG22 VAL 70 HG22 VAL 70 -5.287 1.869 -11.750 504 HG23 VAL 70 HG23 VAL 70 -4.443 0.324 -11.660 505 H LYS 71 H LYS 71 -0.848 1.399 -13.337 506 HA LYS 71 HA LYS 71 -0.064 -0.566 -11.290 507 HB2 LYS 71 HB2 LYS 71 1.792 1.317 -12.739 508 HB3 LYS 71 HB3 LYS 71 2.208 -0.129 -11.826 509 HG2 LYS 71 HG2 LYS 71 2.326 -1.108 -13.827 510 HG3 LYS 71 HG3 LYS 71 0.563 -1.149 -13.738 511 HD2 LYS 71 HD2 LYS 71 0.472 1.006 -14.921 512 HD3 LYS 71 HD3 LYS 71 2.233 1.004 -15.039 513 HE2 LYS 71 HE2 LYS 71 0.853 -1.410 -16.031 514 HE3 LYS 71 HE3 LYS 71 0.607 0.065 -16.965 515 HZ1 LYS 71 HZ1 LYS 71 2.493 -1.119 -17.816 516 HZ2 LYS 71 HZ2 LYS 71 3.214 -1.181 -16.288 517 HZ3 LYS 71 HZ3 LYS 71 3.039 0.303 -17.079 518 H ILE 72 H ILE 72 1.939 0.760 -10.020 519 HA ILE 72 HA ILE 72 0.771 3.258 -9.019 520 HB ILE 72 HB ILE 72 1.217 2.581 -6.692 521 HG12 ILE 72 HG12 ILE 72 1.937 -0.029 -8.013 522 HG13 ILE 72 HG13 ILE 72 2.895 0.921 -6.883 523 HG21 ILE 72 HG21 ILE 72 -0.958 2.032 -8.184 524 HG22 ILE 72 HG22 ILE 72 -0.557 0.416 -7.605 525 HG23 ILE 72 HG23 ILE 72 -0.852 1.717 -6.451 526 HD11 ILE 72 HD11 ILE 72 0.450 -0.720 -6.292 527 HD12 ILE 72 HD12 ILE 72 2.100 -0.979 -5.720 528 HD13 ILE 72 HD13 ILE 72 1.172 0.405 -5.143 529 H ARG 73 H ARG 73 2.283 4.550 -7.748 530 HA ARG 73 HA ARG 73 4.744 4.891 -8.995 531 HB2 ARG 73 HB2 ARG 73 4.087 5.729 -6.168 532 HB3 ARG 73 HB3 ARG 73 5.273 6.457 -7.243 533 HG2 ARG 73 HG2 ARG 73 3.668 7.938 -7.693 534 HG3 ARG 73 HG3 ARG 73 2.982 6.669 -8.709 535 HD2 ARG 73 HD2 ARG 73 2.190 6.251 -5.991 536 HD3 ARG 73 HD3 ARG 73 1.830 7.914 -6.456 537 HE ARG 73 HE ARG 73 0.986 5.929 -8.370 538 HH11 ARG 73 HH11 ARG 73 0.123 7.767 -5.542 539 HH12 ARG 73 HH12 ARG 73 -1.583 7.617 -5.803 540 HH21 ARG 73 HH21 ARG 73 -1.258 5.724 -8.726 541 HH22 ARG 73 HH22 ARG 73 -2.367 6.454 -7.615 542 H ILE 74 H ILE 74 6.600 3.822 -8.884 543 HA ILE 74 HA ILE 74 7.444 2.572 -6.401 544 HB ILE 74 HB ILE 74 7.914 0.402 -7.446 545 HG12 ILE 74 HG12 ILE 74 6.302 0.223 -9.655 546 HG13 ILE 74 HG13 ILE 74 6.975 1.840 -9.834 547 HG21 ILE 74 HG21 ILE 74 5.608 -0.423 -7.524 548 HG22 ILE 74 HG22 ILE 74 5.857 0.691 -6.181 549 HG23 ILE 74 HG23 ILE 74 5.023 1.237 -7.635 550 HD11 ILE 74 HD11 ILE 74 8.160 -0.629 -10.481 551 HD12 ILE 74 HD12 ILE 74 8.856 0.987 -10.609 552 HD13 ILE 74 HD13 ILE 74 9.071 0.050 -9.131 553 H LEU 75 H LEU 75 9.621 1.239 -7.082 554 HA LEU 75 HA LEU 75 11.801 1.417 -7.705 555 HB2 LEU 75 HB2 LEU 75 10.679 1.511 -9.980 556 HB3 LEU 75 3HB LEU 75 10.888 3.259 -9.899 557 HG LEU 75 HG LEU 75 13.389 1.920 -9.399 558 HD11 LEU 75 HD11 LEU 75 12.142 1.329 -12.075 559 HD12 LEU 75 HD12 LEU 75 12.298 0.149 -10.776 560 HD13 LEU 75 HD13 LEU 75 13.741 0.853 -11.505 561 HD21 LEU 75 HD21 LEU 75 13.420 4.172 -10.040 562 HD22 LEU 75 HD22 LEU 75 12.315 3.897 -11.388 563 HD23 LEU 75 HD23 LEU 75 13.974 3.298 -11.469 564 H HIS 76 H HIS 76 12.965 2.492 -6.252 565 HA HIS 76 HA HIS 76 14.037 4.182 -5.170 566 HB2 HIS 76 HB2 HIS 76 13.948 4.958 -7.855 567 HB3 HIS 76 3HB HIS 76 13.422 6.380 -6.959 568 HD1 HIS 76 HD1 HIS 76 16.201 3.835 -6.365 569 HD2 HIS 76 HD2 HIS 76 15.577 7.939 -6.543 570 HE1 HIS 76 HE1 HIS 76 18.433 4.877 -5.860 571 H ASP 77 H ASP 77 11.023 3.761 -5.049 572 HA ASP 77 HA ASP 77 9.750 6.218 -4.575 573 HB2 ASP 77 HB2 ASP 77 8.559 4.066 -4.878 574 HB3 ASP 77 3HB ASP 77 9.145 3.540 -3.302 575 H TYR 78 H TYR 78 9.747 7.590 -2.902 576 HA TYR 78 HA TYR 78 11.656 7.218 -0.791 577 HB2 TYR 78 HB2 TYR 78 9.868 9.409 -1.709 578 HB3 TYR 78 3HB TYR 78 10.381 9.445 -0.025 579 HD1 TYR 78 HD1 TYR 78 12.248 8.365 -3.067 580 HD2 TYR 78 HD2 TYR 78 11.932 11.173 0.114 581 HE1 TYR 78 HE1 TYR 78 14.390 9.367 -3.745 582 HE2 TYR 78 HE2 TYR 78 14.071 12.183 -0.556 583 HH TYR 78 HH TYR 78 15.453 11.828 -3.422 584 H ALA 79 H ALA 79 8.578 6.109 -1.218 585 HA ALA 79 HA ALA 79 7.199 6.553 1.125 586 HB1 ALA 79 HB1 ALA 79 7.305 3.930 -0.358 587 HB2 ALA 79 HB2 ALA 79 6.008 4.507 0.691 588 HB3 ALA 79 HB3 ALA 79 6.331 5.320 -0.840 589 H GLY 80 H GLY 80 6.845 5.051 2.963 590 HA2 GLY 80 HA1 GLY 80 9.265 4.583 4.346 591 HA3 GLY 80 HA2 GLY 80 7.669 4.057 4.862 592 H ILE 81 H ILE 81 7.632 2.691 2.045 593 HA ILE 81 HA ILE 81 8.302 0.105 3.005 594 HB ILE 81 HB ILE 81 7.816 0.935 0.143 595 HG12 ILE 81 HG12 ILE 81 5.943 1.632 1.523 596 HG13 ILE 81 HG13 ILE 81 5.475 0.228 0.568 597 HG21 ILE 81 HG21 ILE 81 7.914 -1.221 -0.417 598 HG22 ILE 81 HG22 ILE 81 8.696 -1.475 1.142 599 HG23 ILE 81 HG23 ILE 81 6.956 -1.712 0.979 600 HD11 ILE 81 HD11 ILE 81 5.749 -1.205 2.493 601 HD12 ILE 81 HD12 ILE 81 6.315 0.159 3.456 602 HD13 ILE 81 HD13 ILE 81 4.652 0.123 2.870 603 H ALA 82 H ALA 82 9.834 2.282 0.654 604 HA ALA 82 HA ALA 82 12.005 0.507 0.106 605 HB1 ALA 82 HB1 ALA 82 12.032 3.469 -0.389 606 HB2 ALA 82 HB2 ALA 82 12.854 2.192 -1.287 607 HB3 ALA 82 HB3 ALA 82 11.102 2.359 -1.396 608 H PHE 83 H PHE 83 11.272 2.469 2.729 609 HA PHE 83 HA PHE 83 13.944 3.269 3.412 610 HB2 PHE 83 HB2 PHE 83 11.283 3.783 4.377 611 HB3 PHE 83 3HB PHE 83 12.323 3.326 5.723 612 HD1 PHE 83 HD1 PHE 83 14.501 4.591 6.029 613 HD2 PHE 83 HD2 PHE 83 11.372 5.926 3.470 614 HE1 PHE 83 HE1 PHE 83 15.435 6.867 6.081 615 HE2 PHE 83 HE2 PHE 83 12.301 8.204 3.517 616 HZ PHE 83 HZ PHE 83 14.334 8.677 4.823 617 H TRP 84 H TRP 84 11.635 0.952 4.832 618 HA TRP 84 HA TRP 84 13.688 -0.240 6.464 619 HB2 TRP 84 HB2 TRP 84 11.927 -0.910 7.666 620 HB3 TRP 84 3HB TRP 84 10.862 -0.176 6.470 621 HD1 TRP 84 HD1 TRP 84 12.379 -3.569 7.439 622 HE1 TRP 84 HE1 TRP 84 10.978 -5.429 6.341 623 HE3 TRP 84 HE3 TRP 84 9.309 -0.676 4.549 624 HZ2 TRP 84 HZ2 TRP 84 8.853 -5.642 4.496 625 HZ3 TRP 84 HZ3 TRP 84 7.619 -1.787 3.146 626 HH2 TRP 84 HH2 TRP 84 7.398 -4.218 3.120 627 H ALA 85 H ALA 85 12.516 -0.668 3.294 628 HA ALA 85 HA ALA 85 12.792 -3.390 2.845 629 HB1 ALA 85 HB1 ALA 85 13.754 -2.210 0.527 630 HB2 ALA 85 HB2 ALA 85 12.073 -2.607 0.889 631 HB3 ALA 85 HB3 ALA 85 12.692 -0.990 1.230 632 H THR 86 H THR 86 15.218 -0.999 3.427 633 HA THR 86 HA THR 86 17.434 -2.278 2.241 634 HB THR 86 HB THR 86 18.828 -0.858 3.632 635 HG1 THR 86 HG1 THR 86 18.138 -0.072 5.490 636 HG21 THR 86 HG21 THR 86 16.581 1.000 3.139 637 HG22 THR 86 HG22 THR 86 17.116 0.037 1.762 638 HG23 THR 86 HG23 THR 86 18.259 1.082 2.605 639 H GLY 87 H GLY 87 15.588 -3.068 4.993 640 HA2 GLY 87 HA1 GLY 87 17.665 -4.388 6.476 641 HA3 GLY 87 HA2 GLY 87 15.937 -4.501 6.772 642 H GLU 88 H GLU 88 18.312 -5.507 4.308 643 HA GLU 88 HA GLU 88 16.884 -7.588 3.193 644 HB2 GLU 88 HB2 GLU 88 19.314 -6.569 2.733 645 HB3 GLU 88 HB3 GLU 88 19.797 -8.016 3.605 646 HG2 GLU 88 HG2 GLU 88 17.900 -8.882 1.757 647 HG3 GLU 88 HG3 GLU 88 18.906 -7.724 0.888 648 H TRP 89 H TRP 89 18.800 -7.550 6.144 649 HA TRP 89 HA TRP 89 18.580 -10.376 6.591 650 HB2 TRP 89 HB2 TRP 89 19.840 -8.083 7.917 651 HB3 TRP 89 3HB TRP 89 19.207 -9.285 9.037 652 HD1 TRP 89 HD1 TRP 89 20.917 -9.989 5.636 653 HE1 TRP 89 HE1 TRP 89 22.976 -11.471 6.073 654 HE3 TRP 89 HE3 TRP 89 20.768 -10.101 10.745 655 HZ2 TRP 89 HZ2 TRP 89 24.354 -12.545 8.289 656 HZ3 TRP 89 HZ3 TRP 89 22.492 -11.379 11.948 657 HH2 TRP 89 HH2 TRP 89 24.248 -12.576 10.743 658 H LYS 90 H LYS 90 16.822 -11.385 7.272 659 HA LYS 90 HA LYS 90 14.497 -10.035 8.155 660 HB2 LYS 90 HB2 LYS 90 13.686 -12.361 8.699 661 HB3 LYS 90 HB3 LYS 90 14.216 -12.119 7.039 662 HG2 LYS 90 HG2 LYS 90 16.471 -12.973 8.489 663 HG3 LYS 90 HG3 LYS 90 15.128 -14.015 8.965 664 HD2 LYS 90 HD2 LYS 90 14.879 -14.886 6.865 665 HD3 LYS 90 HD3 LYS 90 15.480 -13.428 6.072 666 HE2 LYS 90 HE2 LYS 90 17.450 -14.427 5.835 667 HE3 LYS 90 HE3 LYS 90 17.619 -14.432 7.590 668 HZ1 LYS 90 HZ1 LYS 90 17.769 -16.644 6.317 669 HZ2 LYS 90 HZ2 LYS 90 16.082 -16.554 6.240 670 HZ3 LYS 90 HZ3 LYS 90 16.860 -16.592 7.742 671 H ALA 91 H ALA 91 15.024 -8.791 9.958 672 HA ALA 91 HA ALA 91 16.211 -9.953 12.298 673 HB1 ALA 91 HB1 ALA 91 16.535 -7.591 11.726 674 HB2 ALA 91 HB2 ALA 91 14.813 -7.301 11.973 675 HB3 ALA 91 HB3 ALA 91 15.828 -7.786 13.330 676 H LYS 92 H LYS 92 12.950 -8.804 11.457 677 HA LYS 92 HA LYS 92 11.879 -9.942 13.914 678 HB2 LYS 92 HB2 LYS 92 11.000 -7.963 11.934 679 HB3 LYS 92 HB3 LYS 92 9.717 -9.032 12.484 680 HG2 LYS 92 HG2 LYS 92 10.164 -8.419 14.790 681 HG3 LYS 92 HG3 LYS 92 11.499 -7.387 14.271 682 HD2 LYS 92 HD2 LYS 92 10.116 -5.755 13.502 683 HD3 LYS 92 HD3 LYS 92 8.861 -6.899 13.016 684 HE2 LYS 92 HE2 LYS 92 7.781 -6.691 14.961 685 HE3 LYS 92 HE3 LYS 92 9.269 -6.833 15.895 686 HZ1 LYS 92 HZ1 LYS 92 9.678 -4.437 15.150 687 HZ2 LYS 92 HZ2 LYS 92 8.522 -4.703 16.356 688 HZ3 LYS 92 HZ3 LYS 92 8.031 -4.405 14.765 689 H ASN 93 H ASN 93 11.231 -10.210 10.416 690 HA ASN 93 HA ASN 93 10.270 -11.862 9.174 691 HB2 ASN 93 HB2 ASN 93 12.460 -12.900 10.216 692 HB3 ASN 93 3HB ASN 93 11.312 -13.908 11.093 693 HD21 ASN 93 HD21 ASN 93 13.121 -14.996 9.348 694 HD22 ASN 93 HD22 ASN 93 12.290 -15.615 7.964 695 H GLU 94 H GLU 94 8.486 -10.742 10.934 696 HA GLU 94 HA GLU 94 7.000 -13.003 12.073 697 HB2 GLU 94 HB2 GLU 94 7.072 -10.072 12.637 698 HB3 GLU 94 HB3 GLU 94 5.590 -10.956 12.976 699 HG2 GLU 94 HG2 GLU 94 8.292 -11.717 14.056 700 HG3 GLU 94 HG3 GLU 94 7.121 -10.720 14.919 701 H PHE 95 H PHE 95 5.946 -9.899 10.696 702 HA PHE 95 HA PHE 95 4.124 -11.401 8.932 703 HB2 PHE 95 HB2 PHE 95 3.072 -10.163 10.927 704 HB3 PHE 95 3HB PHE 95 3.478 -8.684 10.060 705 HD1 PHE 95 HD1 PHE 95 2.449 -8.230 7.852 706 HD2 PHE 95 HD2 PHE 95 1.232 -11.502 10.289 707 HE1 PHE 95 HE1 PHE 95 0.370 -8.422 6.550 708 HE2 PHE 95 HE2 PHE 95 -0.849 -11.698 8.990 709 HZ PHE 95 HZ PHE 95 -1.281 -10.159 7.118 710 H THR 96 H THR 96 6.110 -8.535 9.376 711 HA THR 96 HA THR 96 5.626 -7.191 7.006 712 HB THR 96 HB THR 96 8.464 -7.238 7.767 713 HG1 THR 96 HG1 THR 96 8.209 -6.640 9.835 714 HG21 THR 96 HG21 THR 96 6.415 -5.019 7.744 715 HG22 THR 96 HG22 THR 96 7.383 -5.506 6.354 716 HG23 THR 96 HG23 THR 96 8.169 -4.838 7.784 717 H GLN 97 H GLN 97 7.939 -9.811 7.632 718 HA GLN 97 HA GLN 97 9.248 -9.913 5.216 719 HB2 GLN 97 HB2 GLN 97 9.002 -11.577 7.468 720 HB3 GLN 97 HB3 GLN 97 8.621 -12.591 6.084 721 HG2 GLN 97 HG2 GLN 97 10.915 -11.034 5.457 722 HG3 GLN 97 HG3 GLN 97 11.154 -11.786 7.033 723 HE21 GLN 97 HE21 GLN 97 9.378 -12.944 4.206 724 HE22 GLN 97 HE22 GLN 97 10.318 -14.376 3.982 725 H ALA 98 H ALA 98 6.116 -11.338 6.052 726 HA ALA 98 HA ALA 98 5.586 -12.818 3.799 727 HB1 ALA 98 HB1 ALA 98 3.503 -11.099 5.121 728 HB2 ALA 98 HB2 ALA 98 3.294 -12.665 4.339 729 HB3 ALA 98 HB3 ALA 98 4.157 -12.555 5.873 730 H TYR 99 H TYR 99 5.543 -9.341 4.176 731 HA TYR 99 HA TYR 99 4.073 -8.562 1.966 732 HB2 TYR 99 HB2 TYR 99 4.893 -6.967 3.618 733 HB3 TYR 99 3HB TYR 99 6.553 -7.268 3.119 734 HD1 TYR 99 HD1 TYR 99 3.305 -5.910 1.943 735 HD2 TYR 99 HD2 TYR 99 7.515 -6.059 1.347 736 HE1 TYR 99 HE1 TYR 99 3.127 -4.104 0.285 737 HE2 TYR 99 HE2 TYR 99 7.349 -4.252 -0.314 738 HH TYR 99 HH TYR 99 4.664 -2.312 -0.659 739 H ALA 100 H ALA 100 7.598 -9.075 2.118 740 HA ALA 100 HA ALA 100 8.171 -8.638 -0.564 741 HB1 ALA 100 HB1 ALA 100 10.265 -9.325 -0.070 742 HB2 ALA 100 HB2 ALA 100 9.667 -9.209 1.586 743 HB3 ALA 100 HB3 ALA 100 9.711 -10.774 0.772 744 H LYS 101 H LYS 101 6.846 -11.457 1.025 745 HA LYS 101 HA LYS 101 7.219 -13.227 -1.197 746 HB2 LYS 101 HB2 LYS 101 5.171 -13.647 0.958 747 HB3 LYS 101 HB3 LYS 101 6.117 -14.846 0.085 748 HG2 LYS 101 HG2 LYS 101 7.106 -12.957 2.209 749 HG3 LYS 101 HG3 LYS 101 6.910 -14.706 2.341 750 HD2 LYS 101 HD2 LYS 101 8.531 -14.257 0.087 751 HD3 LYS 101 HD3 LYS 101 9.145 -13.199 1.358 752 HE2 LYS 101 HE2 LYS 101 8.994 -15.284 2.862 753 HE3 LYS 101 HE3 LYS 101 8.880 -16.187 1.351 754 HZ1 LYS 101 HZ1 LYS 101 11.175 -15.875 2.349 755 HZ2 LYS 101 HZ2 LYS 101 11.068 -14.262 1.853 756 HZ3 LYS 101 HZ3 LYS 101 11.003 -15.504 0.707 757 H LEU 102 H LEU 102 4.473 -11.403 0.117 758 HA LEU 102 HA LEU 102 2.582 -12.300 -1.782 759 HB2 LEU 102 HB2 LEU 102 2.734 -10.244 0.299 760 HB3 LEU 102 3HB LEU 102 1.676 -9.831 -1.048 761 HG LEU 102 HG LEU 102 1.447 -12.292 0.683 762 HD11 LEU 102 HD11 LEU 102 0.799 -9.807 1.447 763 HD12 LEU 102 HD12 LEU 102 -0.111 -11.238 1.930 764 HD13 LEU 102 HD13 LEU 102 -0.677 -10.246 0.586 765 HD21 LEU 102 HD21 LEU 102 -0.857 -11.598 -0.910 766 HD22 LEU 102 HD22 LEU 102 0.014 -13.128 -0.796 767 HD23 LEU 102 HD23 LEU 102 0.557 -11.886 -1.925 768 H MET 103 H MET 103 5.088 -9.932 -1.910 769 HA MET 103 HA MET 103 4.182 -8.166 -3.832 770 HB2 MET 103 HB2 MET 103 6.306 -7.884 -2.654 771 HB3 MET 103 HB3 MET 103 6.975 -9.273 -3.498 772 HG2 MET 103 HG2 MET 103 6.143 -7.694 -5.564 773 HG3 MET 103 HG3 MET 103 6.671 -6.508 -4.372 774 HE1 MET 103 HE1 MET 103 9.258 -9.611 -6.541 775 HE2 MET 103 HE2 MET 103 8.087 -10.178 -5.349 776 HE3 MET 103 HE3 MET 103 7.538 -9.300 -6.779 777 H ASN 104 H ASN 104 6.340 -10.912 -4.560 778 HA ASN 104 HA ASN 104 6.032 -10.880 -7.307 779 HB2 ASN 104 HB2 ASN 104 7.757 -12.212 -6.257 780 HB3 ASN 104 3HB ASN 104 6.550 -13.230 -5.476 781 HD21 ASN 104 HD21 ASN 104 5.250 -14.599 -6.806 782 HD22 ASN 104 HD22 ASN 104 5.853 -15.156 -8.327 783 H GLN 105 H GLN 105 3.934 -12.209 -4.855 784 HA GLN 105 HA GLN 105 2.378 -13.975 -6.275 785 HB2 GLN 105 HB2 GLN 105 2.228 -12.716 -3.794 786 HB3 GLN 105 HB3 GLN 105 0.732 -12.266 -4.601 787 HG2 GLN 105 HG2 GLN 105 1.604 -15.116 -4.594 788 HG3 GLN 105 HG3 GLN 105 0.850 -14.424 -3.158 789 HE21 GLN 105 HE21 GLN 105 0.356 -14.474 -6.675 790 HE22 GLN 105 HE22 GLN 105 -1.352 -14.722 -6.602 791 H TYR 106 H TYR 106 2.106 -10.447 -6.160 792 HA TYR 106 HA TYR 106 0.532 -10.558 -8.631 793 HB2 TYR 106 HB2 TYR 106 -0.761 -8.532 -7.587 794 HB3 TYR 106 3HB TYR 106 -1.241 -10.178 -7.192 795 HD1 TYR 106 HD1 TYR 106 1.467 -7.946 -5.899 796 HD2 TYR 106 HD2 TYR 106 -1.990 -10.263 -5.011 797 HE1 TYR 106 HE1 TYR 106 1.756 -7.451 -3.507 798 HE2 TYR 106 HE2 TYR 106 -1.710 -9.773 -2.617 799 HH TYR 106 HH TYR 106 -0.455 -8.792 -1.072 800 H ARG 107 H ARG 107 3.264 -10.025 -8.394 801 HA ARG 107 HA ARG 107 3.671 -7.168 -8.402 802 HB2 ARG 107 HB2 ARG 107 5.950 -7.621 -8.565 803 HB3 ARG 107 HB3 ARG 107 5.340 -9.001 -7.661 804 HG2 ARG 107 HG2 ARG 107 6.475 -10.224 -9.141 805 HG3 ARG 107 HG3 ARG 107 5.130 -9.882 -10.231 806 HD2 ARG 107 HD2 ARG 107 6.335 -8.424 -11.476 807 HD3 ARG 107 HD3 ARG 107 7.244 -7.829 -10.088 808 HE ARG 107 HE ARG 107 7.975 -9.986 -11.849 809 HH11 ARG 107 HH11 ARG 107 8.415 -8.566 -8.702 810 HH12 ARG 107 HH12 ARG 107 9.970 -9.290 -8.448 811 HH21 ARG 107 HH21 ARG 107 10.020 -10.944 -11.528 812 HH22 ARG 107 HH22 ARG 107 10.881 -10.642 -10.057 813 H GLY 108 H GLY 108 2.151 -9.022 -10.522 814 HA2 GLY 108 HA1 GLY 108 3.448 -8.400 -12.988 815 HA3 GLY 108 HA2 GLY 108 1.812 -9.012 -12.800 816 H ILE 109 H ILE 109 1.779 -6.454 -10.855 817 HA ILE 109 HA ILE 109 0.980 -4.614 -13.015 818 HB ILE 109 HB ILE 109 -0.408 -3.583 -11.024 819 HG12 ILE 109 HG12 ILE 109 0.663 -5.547 -9.584 820 HG13 ILE 109 HG13 ILE 109 -0.973 -4.969 -9.283 821 HG21 ILE 109 HG21 ILE 109 -1.081 -5.910 -12.781 822 HG22 ILE 109 HG22 ILE 109 -2.279 -5.243 -11.674 823 HG23 ILE 109 HG23 ILE 109 -1.572 -4.222 -12.927 824 HD11 ILE 109 HD11 ILE 109 -1.905 -6.811 -10.492 825 HD12 ILE 109 HD12 ILE 109 -0.304 -7.339 -11.007 826 HD13 ILE 109 HD13 ILE 109 -0.757 -7.432 -9.306 827 H TYR 110 H TYR 110 2.452 -4.865 -9.812 828 HA TYR 110 HA TYR 110 3.688 -2.227 -10.263 829 HB2 TYR 110 HB2 TYR 110 3.372 -1.609 -8.068 830 HB3 TYR 110 3HB TYR 110 1.935 -2.594 -8.320 831 HD1 TYR 110 HD1 TYR 110 2.285 -5.173 -7.762 832 HD2 TYR 110 HD2 TYR 110 4.632 -1.999 -6.175 833 HE1 TYR 110 HE1 TYR 110 2.930 -6.604 -5.870 834 HE2 TYR 110 HE2 TYR 110 5.285 -3.421 -4.279 835 HH TYR 110 HH TYR 110 4.944 -5.363 -3.231 836 H SER 111 H SER 111 5.666 -2.029 -8.651 837 HA SER 111 HA SER 111 7.170 -4.527 -8.511 838 HB2 SER 111 HB2 SER 111 8.793 -2.323 -9.568 839 HB3 SER 111 3HB SER 111 8.727 -4.014 -10.065 840 HG SER 111 HG SER 111 7.327 -3.521 -11.567 841 H PHE 112 H PHE 112 9.051 -4.401 -7.150 842 HA PHE 112 HA PHE 112 9.712 -2.054 -5.696 843 HB2 PHE 112 HB2 PHE 112 7.510 -3.609 -4.697 844 HB3 PHE 112 3HB PHE 112 8.854 -3.696 -3.563 845 HD1 PHE 112 HD1 PHE 112 9.866 -1.530 -2.737 846 HD2 PHE 112 HD2 PHE 112 6.159 -1.712 -4.819 847 HE1 PHE 112 HE1 PHE 112 9.269 0.690 -1.861 848 HE2 PHE 112 HE2 PHE 112 5.556 0.509 -3.949 849 HZ PHE 112 HZ PHE 112 7.112 1.712 -2.466 850 H GLU 113 H GLU 113 11.777 -2.272 -5.157 851 HA GLU 113 HA GLU 113 13.258 -4.591 -5.565 852 HB2 GLU 113 HB2 GLU 113 13.781 -2.041 -4.082 853 HB3 GLU 113 HB3 GLU 113 14.941 -3.357 -3.983 854 HG2 GLU 113 HG2 GLU 113 15.578 -3.153 -6.159 855 HG3 GLU 113 HG3 GLU 113 14.015 -2.523 -6.674 856 H LYS 114 H LYS 114 14.802 -5.329 -3.602 857 HA LYS 114 HA LYS 114 13.380 -7.108 -2.069 858 HB2 LYS 114 HB2 LYS 114 16.061 -6.401 -2.355 859 HB3 LYS 114 HB3 LYS 114 15.733 -6.167 -0.644 860 HG2 LYS 114 HG2 LYS 114 16.097 -8.341 -0.397 861 HG3 LYS 114 HG3 LYS 114 14.556 -8.604 -1.219 862 HD2 LYS 114 HD2 LYS 114 16.067 -9.911 -2.429 863 HD3 LYS 114 HD3 LYS 114 15.917 -8.439 -3.391 864 HE2 LYS 114 HE2 LYS 114 18.085 -7.985 -3.164 865 HE3 LYS 114 HE3 LYS 114 18.003 -8.181 -1.415 866 HZ1 LYS 114 HZ1 LYS 114 19.444 -9.842 -1.998 867 HZ2 LYS 114 HZ2 LYS 114 18.683 -10.161 -3.473 868 HZ3 LYS 114 HZ3 LYS 114 17.982 -10.692 -2.028 869 H VAL 115 H VAL 115 12.320 -7.085 -0.162 870 HA VAL 115 HA VAL 115 12.264 -4.539 1.327 871 HB VAL 115 HB VAL 115 9.899 -5.853 1.957 872 HG11 VAL 115 HG11 VAL 115 8.838 -3.978 0.972 873 HG12 VAL 115 HG12 VAL 115 10.392 -3.405 1.581 874 HG13 VAL 115 HG13 VAL 115 10.179 -3.716 -0.143 875 HG21 VAL 115 HG21 VAL 115 10.227 -5.903 -1.037 876 HG22 VAL 115 HG22 VAL 115 10.364 -7.332 -0.013 877 HG23 VAL 115 HG23 VAL 115 8.840 -6.449 -0.096 878 H LYS 116 H LYS 116 11.411 -7.982 1.725 879 HA LYS 116 HA LYS 116 11.632 -9.408 3.486 880 HB2 LYS 116 HB2 LYS 116 14.039 -7.791 4.298 881 HB3 LYS 116 HB3 LYS 116 13.762 -9.515 4.509 882 HG2 LYS 116 HG2 LYS 116 14.144 -8.148 1.854 883 HG3 LYS 116 HG3 LYS 116 15.406 -9.001 2.747 884 HD2 LYS 116 HD2 LYS 116 13.094 -10.677 2.513 885 HD3 LYS 116 HD3 LYS 116 13.548 -10.073 0.918 886 HE2 LYS 116 HE2 LYS 116 15.865 -10.828 1.337 887 HE3 LYS 116 HE3 LYS 116 15.341 -11.505 2.877 888 HZ1 LYS 116 HZ1 LYS 116 14.521 -12.354 0.159 889 HZ2 LYS 116 HZ2 LYS 116 13.728 -12.870 1.561 890 HZ3 LYS 116 HZ3 LYS 116 15.356 -13.260 1.319 891 H ALA 117 H ALA 117 12.505 -9.163 6.068 892 HA ALA 117 HA ALA 117 10.606 -7.200 7.169 893 HB1 ALA 117 HB1 ALA 117 11.603 -9.726 8.476 894 HB2 ALA 117 HB2 ALA 117 10.325 -8.658 9.059 895 HB3 ALA 117 HB3 ALA 117 10.089 -9.590 7.581 896 H HIS 118 H HIS 118 11.162 -6.391 9.377 897 HA HIS 118 HA HIS 118 13.741 -6.470 10.445 898 HB2 HIS 118 HB2 HIS 118 13.753 -5.021 8.100 899 HB3 HIS 118 3HB HIS 118 13.566 -3.770 9.325 900 HD1 HIS 118 HD1 HIS 118 15.903 -2.815 9.163 901 HD2 HIS 118 HD2 HIS 118 15.865 -6.907 9.880 902 HE1 HIS 118 HE1 HIS 118 18.281 -3.424 9.709 903 H SER 119 H SER 119 11.538 -3.746 9.774 904 HA SER 119 HA SER 119 10.188 -3.779 12.213 905 HB2 SER 119 HB2 SER 119 11.347 -1.764 13.275 906 HB3 SER 119 3HB SER 119 12.196 -3.306 13.385 907 HG SER 119 HG SER 119 13.773 -2.168 12.562 908 H GLY 120 H GLY 120 9.537 -1.271 12.755 909 HA2 GLY 120 HA1 GLY 120 8.917 -0.004 10.163 910 HA3 GLY 120 HA2 GLY 120 7.657 -0.278 11.357 911 H ASN 121 H ASN 121 8.542 2.237 10.195 912 HA ASN 121 HA ASN 121 8.957 3.675 12.688 913 HB2 ASN 121 HB2 ASN 121 10.712 4.417 10.366 914 HB3 ASN 121 3HB ASN 121 10.902 4.818 12.071 915 HD21 ASN 121 HD21 ASN 121 11.173 2.271 9.686 916 HD22 ASN 121 HD22 ASN 121 12.269 1.284 10.588 917 H GLU 122 H GLU 122 9.363 6.203 11.671 918 HA GLU 122 HA GLU 122 6.735 6.859 10.764 919 HB2 GLU 122 HB2 GLU 122 7.613 9.197 10.724 920 HB3 GLU 122 HB3 GLU 122 7.833 8.376 12.263 921 HG2 GLU 122 HG2 GLU 122 10.025 8.661 12.187 922 HG3 GLU 122 HG3 GLU 122 10.120 7.977 10.564 923 H PHE 123 H PHE 123 9.426 5.773 9.155 924 HA PHE 123 HA PHE 123 9.687 7.300 6.882 925 HB2 PHE 123 HB2 PHE 123 9.733 4.278 6.998 926 HB3 PHE 123 3HB PHE 123 10.478 5.283 5.759 927 HD1 PHE 123 HD1 PHE 123 11.717 7.391 7.401 928 HD2 PHE 123 HD2 PHE 123 11.514 3.181 7.998 929 HE1 PHE 123 HE1 PHE 123 13.790 7.481 8.722 930 HE2 PHE 123 HE2 PHE 123 13.587 3.265 9.321 931 HZ PHE 123 HZ PHE 123 14.728 5.417 9.683 932 H ASN 124 H ASN 124 7.110 5.125 7.768 933 HA ASN 124 HA ASN 124 5.928 4.979 5.168 934 HB2 ASN 124 HB2 ASN 124 4.078 3.877 6.262 935 HB3 ASN 124 3HB ASN 124 5.580 3.269 6.954 936 HD21 ASN 124 HD21 ASN 124 2.728 3.573 7.932 937 HD22 ASN 124 HD22 ASN 124 2.898 4.329 9.476 938 H ASP 125 H ASP 125 5.441 6.978 8.031 939 HA ASP 125 HA ASP 125 3.080 8.259 7.334 940 HB2 ASP 125 HB2 ASP 125 5.478 9.238 8.883 941 HB3 ASP 125 3HB ASP 125 4.004 10.188 8.711 942 H TYR 126 H TYR 126 6.237 8.575 5.985 943 HA TYR 126 HA TYR 126 6.232 11.132 4.945 944 HB2 TYR 126 HB2 TYR 126 8.223 9.977 4.622 945 HB3 TYR 126 3HB TYR 126 7.412 8.542 4.006 946 HD1 TYR 126 HD1 TYR 126 6.608 8.475 1.676 947 HD2 TYR 126 HD2 TYR 126 8.837 11.779 3.165 948 HE1 TYR 126 HE1 TYR 126 7.051 9.208 -0.630 949 HE2 TYR 126 HE2 TYR 126 9.285 12.522 0.863 950 HH TYR 126 HH TYR 126 9.322 11.707 -1.360 951 H VAL 127 H VAL 127 4.613 8.245 3.740 952 HA VAL 127 HA VAL 127 3.827 9.173 1.230 953 HB VAL 127 HB VAL 127 2.060 7.503 1.297 954 HG11 VAL 127 HG11 VAL 127 3.414 5.529 1.722 955 HG12 VAL 127 HG12 VAL 127 4.372 6.770 0.913 956 HG13 VAL 127 HG13 VAL 127 4.563 6.496 2.645 957 HG21 VAL 127 HG21 VAL 127 0.985 7.053 3.186 958 HG22 VAL 127 HG22 VAL 127 2.443 6.290 3.821 959 HG23 VAL 127 HG23 VAL 127 2.153 8.007 4.102 960 H ASP 128 H ASP 128 2.746 10.068 4.367 961 HA ASP 128 HA ASP 128 0.136 10.935 3.783 962 HB2 ASP 128 HB2 ASP 128 2.071 12.019 5.841 963 HB3 ASP 128 3HB ASP 128 0.331 12.292 5.823 964 H MET 129 H MET 129 3.178 12.788 3.938 965 HA MET 129 HA MET 129 1.983 15.179 2.942 966 HB2 MET 129 HB2 MET 129 4.118 14.914 4.369 967 HB3 MET 129 HB3 MET 129 4.927 14.578 2.844 968 HG2 MET 129 HG2 MET 129 4.379 16.737 1.994 969 HG3 MET 129 HG3 MET 129 3.332 17.070 3.371 970 HE1 MET 129 HE1 MET 129 7.826 16.381 4.086 971 HE2 MET 129 HE2 MET 129 6.596 15.119 4.014 972 HE3 MET 129 HE3 MET 129 7.056 15.987 2.548 973 H LYS 130 H LYS 130 3.812 12.532 1.509 974 HA LYS 130 HA LYS 130 4.211 13.685 -1.030 975 HB2 LYS 130 HB2 LYS 130 4.922 11.317 0.215 976 HB3 LYS 130 HB3 LYS 130 3.839 10.788 -1.065 977 HG2 LYS 130 HG2 LYS 130 6.314 12.467 -1.411 978 HG3 LYS 130 HG3 LYS 130 6.139 10.760 -1.821 979 HD2 LYS 130 HD2 LYS 130 5.579 11.469 -3.866 980 HD3 LYS 130 HD3 LYS 130 4.036 11.939 -3.151 981 HE2 LYS 130 HE2 LYS 130 4.595 13.947 -4.037 982 HE3 LYS 130 HE3 LYS 130 5.477 14.101 -2.519 983 HZ1 LYS 130 HZ1 LYS 130 6.658 14.577 -4.761 984 HZ2 LYS 130 HZ2 LYS 130 6.809 12.895 -4.844 985 HZ3 LYS 130 HZ3 LYS 130 7.482 13.740 -3.543 986 H ALA 131 H ALA 131 1.742 11.366 0.083 987 HA ALA 131 HA ALA 131 0.284 11.152 -2.259 988 HB1 ALA 131 HB1 ALA 131 -1.682 10.708 -0.679 989 HB2 ALA 131 HB2 ALA 131 -0.273 9.655 -0.555 990 HB3 ALA 131 HB3 ALA 131 -0.516 10.944 0.623 991 H LYS 132 H LYS 132 0.258 13.688 0.161 992 HA LYS 132 HA LYS 132 -2.090 15.011 -0.438 993 HB2 LYS 132 HB2 LYS 132 0.232 15.548 1.054 994 HB3 LYS 132 HB3 LYS 132 0.040 16.918 -0.033 995 HG2 LYS 132 HG2 LYS 132 -2.489 16.656 0.864 996 HG3 LYS 132 HG3 LYS 132 -1.587 16.080 2.268 997 HD2 LYS 132 HD2 LYS 132 -0.173 18.183 2.023 998 HD3 LYS 132 HD3 LYS 132 -1.415 18.756 0.905 999 HE2 LYS 132 HE2 LYS 132 -1.986 19.651 3.010 1000 HE3 LYS 132 HE3 LYS 132 -3.089 18.300 2.751 1001 HZ1 LYS 132 HZ1 LYS 132 -1.126 18.676 4.796 1002 HZ2 LYS 132 HZ2 LYS 132 -0.950 17.184 4.020 1003 HZ3 LYS 132 HZ3 LYS 132 -2.426 17.594 4.737 1004 H SER 133 H SER 133 0.882 14.872 -2.251 1005 HA SER 133 HA SER 133 0.235 17.068 -3.986 1006 HB2 SER 133 HB2 SER 133 2.262 14.872 -4.456 1007 HB3 SER 133 3HB SER 133 2.225 16.468 -5.205 1008 HG SER 133 HG SER 133 2.388 17.225 -2.904 1009 H ALA 134 H ALA 134 -0.149 13.582 -4.043 1010 HA ALA 134 HA ALA 134 -0.801 13.267 -6.756 1011 HB1 ALA 134 HB1 ALA 134 -0.437 11.564 -4.692 1012 HB2 ALA 134 HB2 ALA 134 -2.193 11.500 -4.859 1013 HB3 ALA 134 HB3 ALA 134 -1.161 11.107 -6.235 1014 H LEU 135 H LEU 135 -2.671 14.358 -4.021 1015 HA LEU 135 HA LEU 135 -5.209 14.121 -5.360 1016 HB2 LEU 135 HB2 LEU 135 -4.561 15.716 -2.890 1017 HB3 LEU 135 3HB LEU 135 -6.147 15.150 -3.413 1018 HG LEU 135 HG LEU 135 -4.129 13.052 -2.917 1019 HD11 LEU 135 HD11 LEU 135 -3.555 13.691 -0.874 1020 HD12 LEU 135 HD12 LEU 135 -5.249 13.571 -0.400 1021 HD13 LEU 135 HD13 LEU 135 -4.602 15.108 -0.975 1022 HD21 LEU 135 HD21 LEU 135 -5.952 11.783 -2.643 1023 HD22 LEU 135 HD22 LEU 135 -6.825 13.138 -3.359 1024 HD23 LEU 135 HD23 LEU 135 -6.741 12.971 -1.605 1025 H GLY 136 H GLY 136 -2.982 16.757 -4.533 1026 HA2 GLY 136 HA1 GLY 136 -2.635 18.562 -6.093 1027 HA3 GLY 136 HA2 GLY 136 -4.309 18.386 -6.598 1028 H ILE 137 H ILE 137 -3.099 18.495 -3.283 1029 HA ILE 137 HA ILE 137 -5.042 20.384 -2.479 1030 HB ILE 137 HB ILE 137 -2.472 19.764 -1.028 1031 HG12 ILE 137 HG12 ILE 137 -3.547 17.660 -1.580 1032 HG13 ILE 137 HG13 ILE 137 -3.773 17.994 0.133 1033 HG21 ILE 137 HG21 ILE 137 -4.405 20.070 0.850 1034 HG22 ILE 137 HG22 ILE 137 -3.329 21.355 0.305 1035 HG23 ILE 137 HG23 ILE 137 -4.945 21.206 -0.385 1036 HD11 ILE 137 HD11 ILE 137 -5.973 19.099 -1.262 1037 HD12 ILE 137 HD12 ILE 137 -5.727 17.450 -1.837 1038 HD13 ILE 137 HD13 ILE 137 -5.952 17.760 -0.116 1039 H ARG 138 H ARG 138 -4.795 22.551 -1.825 1040 HA ARG 138 HA ARG 138 -2.478 23.922 -3.024 1041 HB2 ARG 138 HB2 ARG 138 -4.100 25.895 -3.213 1042 HB3 ARG 138 HB3 ARG 138 -4.319 24.561 -4.337 1043 HG2 ARG 138 HG2 ARG 138 -5.853 24.436 -1.814 1044 HG3 ARG 138 HG3 ARG 138 -6.328 25.670 -2.983 1045 HD2 ARG 138 HD2 ARG 138 -5.851 22.933 -4.014 1046 HD3 ARG 138 HD3 ARG 138 -7.293 23.182 -3.032 1047 HE ARG 138 HE ARG 138 -7.014 25.154 -5.081 1048 HH11 ARG 138 HH11 ARG 138 -8.079 21.907 -4.419 1049 HH12 ARG 138 HH12 ARG 138 -9.208 21.870 -5.733 1050 HH21 ARG 138 HH21 ARG 138 -8.495 25.118 -6.815 1051 HH22 ARG 138 HH22 ARG 138 -9.443 23.696 -7.097 1052 H ASP 139 H ASP 139 -2.037 26.089 -2.033 1053 HA ASP 139 HA ASP 139 -2.967 26.841 0.491 1054 HB2 ASP 139 HB2 ASP 139 -1.497 24.563 0.762 1055 HB3 ASP 139 3HB ASP 139 -0.254 25.793 0.979 1056 H LEU 140 H LEU 140 -2.555 28.941 0.514 1057 HA LEU 140 HA LEU 140 -1.618 30.965 0.055 1058 HB2 LEU 140 HB2 LEU 140 0.258 29.382 1.391 1059 HB3 LEU 140 3HB LEU 140 1.152 30.161 0.087 1060 HG LEU 140 HG LEU 140 -0.504 32.069 1.483 1061 HD11 LEU 140 HD11 LEU 140 1.258 30.283 3.112 1062 HD12 LEU 140 HD12 LEU 140 -0.352 30.901 3.477 1063 HD13 LEU 140 HD13 LEU 140 1.043 31.978 3.552 1064 HD21 LEU 140 HD21 LEU 140 1.917 32.979 1.873 1065 HD22 LEU 140 HD22 LEU 140 1.214 32.978 0.255 1066 HD23 LEU 140 HD23 LEU 140 2.359 31.719 0.721 1067 H GLU 141 H GLU 141 0.605 31.833 -1.240 1068 HA GLU 141 HA GLU 141 -0.037 31.182 -3.983 1069 HB2 GLU 141 HB2 GLU 141 1.736 33.233 -2.680 1070 HB3 GLU 141 HB3 GLU 141 1.763 32.970 -4.418 1071 HG2 GLU 141 HG2 GLU 141 -0.629 33.489 -4.525 1072 HG3 GLU 141 HG3 GLU 141 -0.633 33.783 -2.787 1073 H HIS 142 H HIS 142 2.766 30.947 -1.832 1074 HA HIS 142 HA HIS 142 3.751 28.603 -3.022 1075 HB2 HIS 142 HB2 HIS 142 5.837 29.560 -4.045 1076 HB3 HIS 142 3HB HIS 142 4.359 29.930 -4.928 1077 HD1 HIS 142 HD1 HIS 142 6.923 31.541 -2.688 1078 HD2 HIS 142 HD2 HIS 142 3.770 32.615 -5.171 1079 HE1 HIS 142 HE1 HIS 142 7.055 34.043 -2.899 1080 H HIS 143 H HIS 143 6.123 28.213 -2.314 1081 HA HIS 143 HA HIS 143 7.265 29.674 -0.213 1082 HB2 HIS 143 HB2 HIS 143 5.022 28.121 0.589 1083 HB3 HIS 143 3HB HIS 143 6.464 27.341 1.233 1084 HD1 HIS 143 HD1 HIS 143 8.174 29.343 2.358 1085 HD2 HIS 143 HD2 HIS 143 4.057 29.907 2.355 1086 HE1 HIS 143 HE1 HIS 143 7.726 31.042 4.157 1087 H HIS 144 H HIS 144 9.001 28.425 0.915 1088 HA HIS 144 HA HIS 144 9.805 25.865 0.123 1089 HB2 HIS 144 HB2 HIS 144 10.209 27.748 -1.912 1090 HB3 HIS 144 3HB HIS 144 11.796 27.508 -1.185 1091 HD1 HIS 144 HD1 HIS 144 9.512 26.059 -3.590 1092 HD2 HIS 144 HD2 HIS 144 12.556 24.656 -1.137 1093 HE1 HIS 144 HE1 HIS 144 10.157 23.819 -4.534 1094 H HIS 145 H HIS 145 11.932 25.294 0.915 1095 HA HIS 145 HA HIS 145 13.550 27.173 2.313 1096 HB2 HIS 145 HB2 HIS 145 11.313 26.337 3.734 1097 HB3 HIS 145 3HB HIS 145 12.609 25.311 4.342 1098 HD1 HIS 145 HD1 HIS 145 11.803 28.988 3.898 1099 HD2 HIS 145 HD2 HIS 145 14.241 26.506 6.168 1100 HE1 HIS 145 HE1 HIS 145 12.876 30.484 5.610 1101 H HIS 146 H HIS 146 15.079 25.836 3.893 1102 HA HIS 146 HA HIS 146 15.777 23.322 2.522 1103 HB2 HIS 146 HB2 HIS 146 17.602 25.549 3.432 1104 HB3 HIS 146 3HB HIS 146 18.187 23.936 3.031 1105 HD1 HIS 146 HD1 HIS 146 18.651 23.476 0.620 1106 HD2 HIS 146 HD2 HIS 146 16.377 26.911 1.165 1107 HE1 HIS 146 HE1 HIS 146 18.489 24.543 -1.652 1108 H HIS 147 H HIS 147 17.690 22.290 3.999 1109 HA HIS 147 HA HIS 147 16.371 21.778 6.545 1110 HB2 HIS 147 HB2 HIS 147 17.775 19.829 6.705 1111 HB3 HIS 147 3HB HIS 147 17.124 19.901 5.070 1112 HD1 HIS 147 HD1 HIS 147 18.802 20.535 3.160 1113 HD2 HIS 147 HD2 HIS 147 20.533 19.998 6.899 1114 HE1 HIS 147 HE1 HIS 147 21.272 20.335 2.734 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -7.311 2.271 -20.463 2 HA MET 1 HA MET 1 -5.847 1.437 -18.492 3 HB2 MET 1 HB2 MET 1 -5.071 1.322 -21.394 4 HB3 MET 1 HB3 MET 1 -4.100 0.526 -20.164 5 HG2 MET 1 HG2 MET 1 -5.421 -1.231 -20.417 6 HG3 MET 1 HG3 MET 1 -6.674 -0.298 -19.603 7 HE1 MET 1 HE1 MET 1 -5.560 -0.664 -23.814 8 HE2 MET 1 HE2 MET 1 -5.141 -1.740 -22.481 9 HE3 MET 1 HE3 MET 1 -6.524 -2.110 -23.513 10 H ASP 2 H ASP 2 -5.502 3.997 -17.928 11 HA ASP 2 HA ASP 2 -2.762 4.234 -17.370 12 HB2 ASP 2 HB2 ASP 2 -3.378 5.055 -19.978 13 HB3 ASP 2 3HB ASP 2 -3.217 6.545 -19.053 14 H ASP 3 H ASP 3 -2.285 6.021 -16.031 15 HA ASP 3 HA ASP 3 -4.593 7.681 -15.277 16 HB2 ASP 3 HB2 ASP 3 -4.147 7.383 -12.946 17 HB3 ASP 3 3HB ASP 3 -4.207 5.778 -13.668 18 H ARG 4 H ARG 4 -3.437 9.210 -13.331 19 HA ARG 4 HA ARG 4 -1.037 10.380 -14.542 20 HB2 ARG 4 HB2 ARG 4 -1.923 12.576 -14.573 21 HB3 ARG 4 HB3 ARG 4 -3.143 11.557 -15.325 22 HG2 ARG 4 HG2 ARG 4 -4.206 11.462 -12.987 23 HG3 ARG 4 HG3 ARG 4 -3.175 12.848 -12.627 24 HD2 ARG 4 HD2 ARG 4 -4.923 12.819 -15.061 25 HD3 ARG 4 HD3 ARG 4 -5.577 13.262 -13.484 26 HE ARG 4 HE ARG 4 -3.255 14.757 -13.924 27 HH11 ARG 4 HH11 ARG 4 -6.482 14.442 -15.191 28 HH12 ARG 4 HH12 ARG 4 -6.583 16.095 -15.703 29 HH21 ARG 4 HH21 ARG 4 -3.375 16.935 -14.593 30 HH22 ARG 4 HH22 ARG 4 -4.814 17.511 -15.363 31 H THR 5 H THR 5 -1.544 8.778 -12.132 32 HA THR 5 HA THR 5 -1.628 10.250 -9.784 33 HB THR 5 HB THR 5 -0.162 8.351 -8.843 34 HG1 THR 5 HG1 THR 5 0.395 6.763 -10.192 35 HG21 THR 5 HG21 THR 5 -2.778 7.762 -10.230 36 HG22 THR 5 HG22 THR 5 -2.565 8.354 -8.583 37 HG23 THR 5 HG23 THR 5 -2.033 6.729 -9.012 38 H GLU 6 H GLU 6 -0.038 11.091 -8.404 39 HA GLU 6 HA GLU 6 2.058 12.489 -9.668 40 HB2 GLU 6 HB2 GLU 6 1.108 13.414 -7.684 41 HB3 GLU 6 HB3 GLU 6 1.445 11.956 -6.764 42 HG2 GLU 6 HG2 GLU 6 2.993 13.685 -6.142 43 HG3 GLU 6 HG3 GLU 6 3.852 12.394 -6.982 44 H TYR 7 H TYR 7 2.543 10.254 -6.949 45 HA TYR 7 HA TYR 7 4.580 8.808 -8.442 46 HB2 TYR 7 HB2 TYR 7 5.177 10.810 -6.395 47 HB3 TYR 7 3HB TYR 7 5.901 9.242 -6.057 48 HD1 TYR 7 HD1 TYR 7 7.357 8.182 -7.851 49 HD2 TYR 7 HD2 TYR 7 6.119 12.250 -7.996 50 HE1 TYR 7 HE1 TYR 7 9.169 8.671 -9.440 51 HE2 TYR 7 HE2 TYR 7 7.927 12.749 -9.586 52 HH TYR 7 HH TYR 7 9.704 11.961 -10.662 53 H ASP 8 H ASP 8 4.029 9.130 -4.955 54 HA ASP 8 HA ASP 8 3.592 6.248 -4.800 55 HB2 ASP 8 HB2 ASP 8 5.215 7.301 -3.262 56 HB3 ASP 8 3HB ASP 8 3.919 8.283 -2.584 57 H VAL 9 H VAL 9 1.859 5.401 -3.432 58 HA VAL 9 HA VAL 9 -0.621 6.859 -3.916 59 HB VAL 9 HB VAL 9 -0.132 4.022 -3.005 60 HG11 VAL 9 HG11 VAL 9 -2.681 5.553 -3.441 61 HG12 VAL 9 HG12 VAL 9 -2.615 3.791 -3.514 62 HG13 VAL 9 HG13 VAL 9 -2.182 4.630 -2.023 63 HG21 VAL 9 HG21 VAL 9 0.319 4.843 -5.439 64 HG22 VAL 9 HG22 VAL 9 -0.562 3.340 -5.168 65 HG23 VAL 9 HG23 VAL 9 -1.439 4.817 -5.571 66 H TYR 10 H TYR 10 -2.085 7.417 -2.324 67 HA TYR 10 HA TYR 10 -0.992 8.058 0.224 68 HB2 TYR 10 HB2 TYR 10 -2.653 9.510 -0.759 69 HB3 TYR 10 3HB TYR 10 -3.821 8.196 -0.833 70 HD1 TYR 10 HD1 TYR 10 -1.584 9.383 1.914 71 HD2 TYR 10 HD2 TYR 10 -5.570 8.700 0.592 72 HE1 TYR 10 HE1 TYR 10 -2.423 10.011 4.139 73 HE2 TYR 10 HE2 TYR 10 -6.420 9.327 2.813 74 HH TYR 10 HH TYR 10 -5.332 10.936 4.814 75 H THR 11 H THR 11 -0.347 5.908 0.907 76 HA THR 11 HA THR 11 -2.596 4.347 2.001 77 HB THR 11 HB THR 11 -1.213 2.354 1.885 78 HG1 THR 11 HG1 THR 11 0.835 2.756 0.533 79 HG21 THR 11 HG21 THR 11 -2.425 3.501 -0.218 80 HG22 THR 11 HG22 THR 11 -1.586 1.953 -0.319 81 HG23 THR 11 HG23 THR 11 -0.775 3.431 -0.836 82 H ASP 12 H ASP 12 -1.650 2.854 3.865 83 HA ASP 12 HA ASP 12 -0.886 2.735 6.004 84 HB2 ASP 12 HB2 ASP 12 1.101 4.916 5.486 85 HB3 ASP 12 3HB ASP 12 1.277 3.454 6.453 86 H GLY 13 H GLY 13 -2.384 3.475 7.374 87 HA2 GLY 13 HA1 GLY 13 -2.301 5.608 8.944 88 HA3 GLY 13 HA2 GLY 13 -2.972 6.331 7.489 89 H SER 14 H SER 14 -4.714 6.797 9.127 90 HA SER 14 HA SER 14 -6.865 6.488 9.804 91 HB2 SER 14 HB2 SER 14 -6.738 5.239 7.368 92 HB3 SER 14 3HB SER 14 -7.317 3.938 8.408 93 HG SER 14 HG SER 14 -8.851 5.606 7.373 94 H TYR 15 H TYR 15 -8.140 5.256 11.280 95 HA TYR 15 HA TYR 15 -7.529 2.693 12.207 96 HB2 TYR 15 HB2 TYR 15 -6.494 3.358 14.428 97 HB3 TYR 15 3HB TYR 15 -5.439 3.469 13.025 98 HD1 TYR 15 HD1 TYR 15 -7.515 5.462 15.358 99 HD2 TYR 15 HD2 TYR 15 -4.453 5.527 12.404 100 HE1 TYR 15 HE1 TYR 15 -7.037 7.810 15.913 101 HE2 TYR 15 HE2 TYR 15 -3.966 7.874 12.952 102 HH TYR 15 HH TYR 15 -5.825 9.605 15.437 103 H VAL 16 H VAL 16 -8.601 2.207 14.312 104 HA VAL 16 HA VAL 16 -10.638 4.161 15.090 105 HB VAL 16 HB VAL 16 -11.793 2.837 13.447 106 HG11 VAL 16 HG11 VAL 16 -11.155 0.354 15.019 107 HG12 VAL 16 HG12 VAL 16 -11.882 0.480 13.415 108 HG13 VAL 16 HG13 VAL 16 -10.182 0.889 13.649 109 HG21 VAL 16 HG21 VAL 16 -13.655 2.151 14.712 110 HG22 VAL 16 HG22 VAL 16 -12.659 1.731 16.105 111 HG23 VAL 16 HG23 VAL 16 -12.892 3.423 15.667 112 H ASN 17 H ASN 17 -10.415 4.402 17.208 113 HA ASN 17 HA ASN 17 -10.293 3.922 19.433 114 HB2 ASN 17 HB2 ASN 17 -11.892 2.035 18.711 115 HB3 ASN 17 3HB ASN 17 -10.479 0.986 18.792 116 HD21 ASN 17 HD21 ASN 17 -13.096 1.764 20.433 117 HD22 ASN 17 HD22 ASN 17 -12.533 1.606 22.059 118 H GLY 18 H GLY 18 -8.754 1.033 18.017 119 HA2 GLY 18 HA1 GLY 18 -6.102 1.970 18.510 120 HA3 GLY 18 HA2 GLY 18 -6.628 0.855 19.762 121 H GLN 19 H GLN 19 -7.778 0.521 16.497 122 HA GLN 19 HA GLN 19 -6.252 -1.978 16.279 123 HB2 GLN 19 HB2 GLN 19 -8.961 -1.401 15.862 124 HB3 GLN 19 HB3 GLN 19 -8.288 -1.634 14.254 125 HG2 GLN 19 HG2 GLN 19 -7.208 -3.740 15.549 126 HG3 GLN 19 HG3 GLN 19 -8.730 -3.565 16.422 127 HE21 GLN 19 HE21 GLN 19 -7.768 -3.171 13.027 128 HE22 GLN 19 HE22 GLN 19 -8.969 -4.233 12.386 129 H TYR 20 H TYR 20 -6.110 -2.546 13.730 130 HA TYR 20 HA TYR 20 -4.581 -0.316 12.576 131 HB2 TYR 20 HB2 TYR 20 -3.325 -1.983 11.335 132 HB3 TYR 20 3HB TYR 20 -3.321 -2.399 13.046 133 HD1 TYR 20 HD1 TYR 20 -4.780 -4.254 13.862 134 HD2 TYR 20 HD2 TYR 20 -4.264 -3.446 9.716 135 HE1 TYR 20 HE1 TYR 20 -5.636 -6.496 13.324 136 HE2 TYR 20 HE2 TYR 20 -5.120 -5.684 9.167 137 HH TYR 20 HH TYR 20 -6.082 -7.535 9.966 138 H ALA 21 H ALA 21 -5.104 0.520 10.639 139 HA ALA 21 HA ALA 21 -7.215 -0.822 9.082 140 HB1 ALA 21 HB1 ALA 21 -8.273 1.258 8.621 141 HB2 ALA 21 HB2 ALA 21 -8.029 1.173 10.366 142 HB3 ALA 21 HB3 ALA 21 -6.959 2.163 9.373 143 H TRP 22 H TRP 22 -7.299 -0.067 6.789 144 HA TRP 22 HA TRP 22 -4.753 0.919 5.753 145 HB2 TRP 22 HB2 TRP 22 -4.818 -0.947 4.011 146 HB3 TRP 22 3HB TRP 22 -4.324 -1.403 5.639 147 HD1 TRP 22 HD1 TRP 22 -5.931 -3.017 7.006 148 HE1 TRP 22 HE1 TRP 22 -7.915 -4.499 6.302 149 HE3 TRP 22 HE3 TRP 22 -6.817 -1.042 2.374 150 HZ2 TRP 22 HZ2 TRP 22 -9.627 -4.793 4.078 151 HZ3 TRP 22 HZ3 TRP 22 -8.645 -1.982 1.022 152 HH2 TRP 22 HH2 TRP 22 -10.020 -3.819 1.858 153 H ALA 23 H ALA 23 -5.026 2.292 4.106 154 HA ALA 23 HA ALA 23 -7.446 2.124 2.469 155 HB1 ALA 23 HB1 ALA 23 -8.167 4.293 2.852 156 HB2 ALA 23 HB2 ALA 23 -7.686 3.754 4.462 157 HB3 ALA 23 HB3 ALA 23 -6.618 4.799 3.526 158 H TYR 24 H TYR 24 -7.319 3.552 0.540 159 HA TYR 24 HA TYR 24 -4.770 4.606 -0.239 160 HB2 TYR 24 HB2 TYR 24 -4.754 2.993 -2.303 161 HB3 TYR 24 3HB TYR 24 -4.046 2.473 -0.777 162 HD1 TYR 24 HD1 TYR 24 -7.226 2.321 -2.718 163 HD2 TYR 24 HD2 TYR 24 -4.727 0.469 0.185 164 HE1 TYR 24 HE1 TYR 24 -8.703 0.354 -2.710 165 HE2 TYR 24 HE2 TYR 24 -6.197 -1.504 0.200 166 HH TYR 24 HH TYR 24 -9.093 -1.652 -1.854 167 H ALA 25 H ALA 25 -4.964 6.050 -1.881 168 HA ALA 25 HA ALA 25 -7.664 6.571 -2.844 169 HB1 ALA 25 HB1 ALA 25 -6.602 8.670 -3.751 170 HB2 ALA 25 HB2 ALA 25 -6.564 8.490 -1.997 171 HB3 ALA 25 HB3 ALA 25 -5.115 8.166 -2.947 172 H PHE 26 H PHE 26 -8.239 5.424 -4.582 173 HA PHE 26 HA PHE 26 -6.275 4.831 -6.655 174 HB2 PHE 26 HB2 PHE 26 -8.929 3.743 -5.878 175 HB3 PHE 26 3HB PHE 26 -8.497 3.655 -7.583 176 HD1 PHE 26 HD1 PHE 26 -6.362 3.299 -4.559 177 HD2 PHE 26 HD2 PHE 26 -8.039 1.427 -7.994 178 HE1 PHE 26 HE1 PHE 26 -5.023 1.284 -4.111 179 HE2 PHE 26 HE2 PHE 26 -6.703 -0.591 -7.551 180 HZ PHE 26 HZ PHE 26 -5.191 -0.664 -5.608 181 H VAL 27 H VAL 27 -6.277 5.707 -8.654 182 HA VAL 27 HA VAL 27 -8.558 7.237 -9.599 183 HB VAL 27 HB VAL 27 -5.918 8.497 -8.922 184 HG11 VAL 27 HG11 VAL 27 -7.709 9.114 -11.196 185 HG12 VAL 27 HG12 VAL 27 -7.089 10.481 -10.268 186 HG13 VAL 27 HG13 VAL 27 -5.970 9.347 -11.026 187 HG21 VAL 27 HG21 VAL 27 -7.354 10.237 -7.970 188 HG22 VAL 27 HG22 VAL 27 -8.783 9.349 -8.500 189 HG23 VAL 27 HG23 VAL 27 -7.715 8.654 -7.281 190 H LYS 28 H LYS 28 -8.836 6.295 -11.518 191 HA LYS 28 HA LYS 28 -6.471 5.813 -13.204 192 HB2 LYS 28 HB2 LYS 28 -7.829 4.144 -14.385 193 HB3 LYS 28 HB3 LYS 28 -7.712 3.779 -12.669 194 HG2 LYS 28 HG2 LYS 28 -9.915 3.775 -12.474 195 HG3 LYS 28 HG3 LYS 28 -10.018 5.403 -13.147 196 HD2 LYS 28 HD2 LYS 28 -9.481 3.335 -15.144 197 HD3 LYS 28 HD3 LYS 28 -11.024 3.132 -14.308 198 HE2 LYS 28 HE2 LYS 28 -11.872 5.108 -15.115 199 HE3 LYS 28 HE3 LYS 28 -10.279 5.838 -15.309 200 HZ1 LYS 28 HZ1 LYS 28 -9.891 4.513 -17.241 201 HZ2 LYS 28 HZ2 LYS 28 -11.388 5.277 -17.429 202 HZ3 LYS 28 HZ3 LYS 28 -11.323 3.640 -17.010 203 H ASP 29 H ASP 29 -6.416 6.561 -15.294 204 HA ASP 29 HA ASP 29 -6.947 7.808 -17.129 205 HB2 ASP 29 HB2 ASP 29 -9.188 6.540 -16.828 206 HB3 ASP 29 3HB ASP 29 -9.783 8.058 -16.162 207 H GLY 30 H GLY 30 -6.699 8.845 -14.149 208 HA2 GLY 30 HA1 GLY 30 -6.091 10.989 -13.450 209 HA3 GLY 30 HA2 GLY 30 -6.759 11.639 -14.939 210 H LYS 31 H LYS 31 -8.654 9.469 -13.011 211 HA LYS 31 HA LYS 31 -10.037 11.627 -11.643 212 HB2 LYS 31 HB2 LYS 31 -12.250 10.905 -12.533 213 HB3 LYS 31 HB3 LYS 31 -11.207 11.635 -13.746 214 HG2 LYS 31 HG2 LYS 31 -10.538 9.181 -14.270 215 HG3 LYS 31 HG3 LYS 31 -12.040 8.786 -13.431 216 HD2 LYS 31 HD2 LYS 31 -12.715 8.958 -15.646 217 HD3 LYS 31 HD3 LYS 31 -13.100 10.554 -14.998 218 HE2 LYS 31 HE2 LYS 31 -11.074 11.467 -15.943 219 HE3 LYS 31 HE3 LYS 31 -10.565 9.869 -16.484 220 HZ1 LYS 31 HZ1 LYS 31 -13.170 10.629 -17.435 221 HZ2 LYS 31 HZ2 LYS 31 -11.852 9.998 -18.285 222 HZ3 LYS 31 HZ3 LYS 31 -11.940 11.659 -17.973 223 H VAL 32 H VAL 32 -11.601 10.843 -10.069 224 HA VAL 32 HA VAL 32 -10.637 8.659 -8.585 225 HB VAL 32 HB VAL 32 -13.380 9.898 -8.355 226 HG11 VAL 32 HG11 VAL 32 -12.847 9.292 -5.878 227 HG12 VAL 32 HG12 VAL 32 -13.422 8.042 -6.983 228 HG13 VAL 32 HG13 VAL 32 -11.704 8.158 -6.597 229 HG21 VAL 32 HG21 VAL 32 -10.706 10.812 -7.343 230 HG22 VAL 32 HG22 VAL 32 -11.923 11.729 -8.230 231 HG23 VAL 32 HG23 VAL 32 -12.209 11.281 -6.548 232 H HIS 33 H HIS 33 -11.043 6.545 -8.677 233 HA HIS 33 HA HIS 33 -13.185 5.626 -10.472 234 HB2 HIS 33 HB2 HIS 33 -11.044 4.855 -11.222 235 HB3 HIS 33 3HB HIS 33 -10.610 4.310 -9.604 236 HD1 HIS 33 HD1 HIS 33 -11.667 2.082 -8.780 237 HD2 HIS 33 HD2 HIS 33 -12.620 3.093 -12.696 238 HE1 HIS 33 HE1 HIS 33 -12.652 0.001 -9.791 239 H TYR 34 H TYR 34 -11.686 5.059 -7.318 240 HA TYR 34 HA TYR 34 -14.103 4.494 -6.019 241 HB2 TYR 34 HB2 TYR 34 -14.471 2.319 -6.374 242 HB3 TYR 34 3HB TYR 34 -13.131 2.298 -7.514 243 HD1 TYR 34 HD1 TYR 34 -10.814 1.775 -6.647 244 HD2 TYR 34 HD2 TYR 34 -14.320 1.202 -4.305 245 HE1 TYR 34 HE1 TYR 34 -9.566 0.266 -5.158 246 HE2 TYR 34 HE2 TYR 34 -13.082 -0.307 -2.809 247 HH TYR 34 HH TYR 34 -10.919 -0.902 -2.173 248 H GLU 35 H GLU 35 -13.831 4.041 -3.781 249 HA GLU 35 HA GLU 35 -11.410 3.458 -2.520 250 HB2 GLU 35 HB2 GLU 35 -10.970 5.789 -1.572 251 HB3 GLU 35 HB3 GLU 35 -10.467 5.493 -3.231 252 HG2 GLU 35 HG2 GLU 35 -11.861 7.026 -4.055 253 HG3 GLU 35 HG3 GLU 35 -13.182 6.537 -2.995 254 H ASP 36 H ASP 36 -12.224 2.499 -0.787 255 HA ASP 36 HA ASP 36 -14.276 3.922 0.772 256 HB2 ASP 36 HB2 ASP 36 -14.184 0.994 0.045 257 HB3 ASP 36 3HB ASP 36 -15.172 1.616 1.363 258 H ALA 37 H ALA 37 -11.628 1.595 0.768 259 HA ALA 37 HA ALA 37 -10.076 1.056 2.346 260 HB1 ALA 37 HB1 ALA 37 -11.095 3.377 3.968 261 HB2 ALA 37 HB2 ALA 37 -9.490 2.645 4.001 262 HB3 ALA 37 HB3 ALA 37 -10.011 3.565 2.590 263 H ASP 38 H ASP 38 -9.872 -0.079 4.321 264 HA ASP 38 HA ASP 38 -12.176 -0.356 6.049 265 HB2 ASP 38 HB2 ASP 38 -11.184 -2.696 4.406 266 HB3 ASP 38 3HB ASP 38 -12.334 -2.811 5.736 267 H VAL 39 H VAL 39 -11.660 -2.254 7.678 268 HA VAL 39 HA VAL 39 -8.830 -1.968 8.454 269 HB VAL 39 HB VAL 39 -9.559 -2.218 10.799 270 HG11 VAL 39 HG11 VAL 39 -11.234 0.037 10.188 271 HG12 VAL 39 HG12 VAL 39 -9.618 0.001 10.898 272 HG13 VAL 39 HG13 VAL 39 -9.812 0.027 9.145 273 HG21 VAL 39 HG21 VAL 39 -12.105 -2.772 9.502 274 HG22 VAL 39 HG22 VAL 39 -11.555 -3.170 11.129 275 HG23 VAL 39 HG23 VAL 39 -12.238 -1.579 10.795 276 H GLY 40 H GLY 40 -8.238 -3.760 10.131 277 HA2 GLY 40 HA1 GLY 40 -9.076 -6.320 8.931 278 HA3 GLY 40 HA2 GLY 40 -7.516 -6.025 9.685 279 H LYS 41 H LYS 41 -7.908 -7.939 10.943 280 HA LYS 41 HA LYS 41 -8.864 -7.393 13.527 281 HB2 LYS 41 HB2 LYS 41 -10.802 -8.925 13.598 282 HB3 LYS 41 HB3 LYS 41 -11.079 -7.541 12.548 283 HG2 LYS 41 HG2 LYS 41 -9.985 -9.927 11.223 284 HG3 LYS 41 HG3 LYS 41 -11.619 -10.093 11.871 285 HD2 LYS 41 HD2 LYS 41 -11.426 -7.574 10.561 286 HD3 LYS 41 HD3 LYS 41 -10.785 -8.812 9.479 287 HE2 LYS 41 HE2 LYS 41 -12.793 -9.977 9.420 288 HE3 LYS 41 HE3 LYS 41 -13.371 -9.251 10.918 289 HZ1 LYS 41 HZ1 LYS 41 -12.890 -7.383 8.762 290 HZ2 LYS 41 HZ2 LYS 41 -14.189 -7.482 9.840 291 HZ3 LYS 41 HZ3 LYS 41 -14.146 -8.482 8.477 292 H ASN 42 H ASN 42 -6.506 -8.327 12.903 293 HA ASN 42 HA ASN 42 -6.610 -11.220 13.458 294 HB2 ASN 42 HB2 ASN 42 -4.479 -9.638 12.005 295 HB3 ASN 42 3HB ASN 42 -4.354 -11.346 12.416 296 HD21 ASN 42 HD21 ASN 42 -4.591 -12.502 10.653 297 HD22 ASN 42 HD22 ASN 42 -5.781 -12.255 9.425 298 HA PRO 43 HA PRO 43 -4.533 -10.548 17.266 299 HB2 PRO 43 HB2 PRO 43 -3.048 -12.813 17.460 300 HB3 PRO 43 HB3 PRO 43 -4.802 -12.794 17.671 301 HG2 PRO 43 HG2 PRO 43 -3.193 -13.554 15.265 302 HG3 PRO 43 HG3 PRO 43 -4.618 -14.352 15.956 303 HD2 PRO 43 HD2 PRO 43 -4.763 -12.721 13.799 304 HD3 PRO 43 HD3 PRO 43 -6.080 -12.861 14.980 305 H ALA 44 H ALA 44 -2.346 -11.873 14.776 306 HA ALA 44 HA ALA 44 -0.002 -10.750 15.928 307 HB1 ALA 44 HB1 ALA 44 -0.474 -11.772 13.130 308 HB2 ALA 44 HB2 ALA 44 1.099 -11.428 13.849 309 HB3 ALA 44 HB3 ALA 44 0.095 -12.721 14.503 310 H ALA 45 H ALA 45 -2.327 -9.649 13.555 311 HA ALA 45 HA ALA 45 -0.731 -7.433 12.657 312 HB1 ALA 45 HB1 ALA 45 -3.695 -7.825 12.292 313 HB2 ALA 45 HB2 ALA 45 -2.615 -6.815 11.331 314 HB3 ALA 45 HB3 ALA 45 -2.470 -8.571 11.265 315 H ALA 46 H ALA 46 -3.129 -7.993 15.128 316 HA ALA 46 HA ALA 46 -3.597 -5.201 15.651 317 HB1 ALA 46 HB1 ALA 46 -4.344 -7.648 17.246 318 HB2 ALA 46 HB2 ALA 46 -4.905 -6.006 17.566 319 HB3 ALA 46 HB3 ALA 46 -5.360 -6.817 16.068 320 H THR 47 H THR 47 -1.617 -7.774 17.008 321 HA THR 47 HA THR 47 -0.765 -6.311 19.299 322 HB THR 47 HB THR 47 -0.663 -8.764 19.235 323 HG1 THR 47 HG1 THR 47 1.377 -8.906 20.205 324 HG21 THR 47 HG21 THR 47 1.612 -8.415 17.281 325 HG22 THR 47 HG22 THR 47 -0.009 -8.956 16.843 326 HG23 THR 47 HG23 THR 47 0.986 -9.934 17.921 327 H MET 48 H MET 48 0.026 -6.114 16.013 328 HA MET 48 HA MET 48 2.711 -5.085 16.468 329 HB2 MET 48 HB2 MET 48 1.088 -5.561 13.970 330 HB3 MET 48 HB3 MET 48 2.663 -4.780 13.948 331 HG2 MET 48 HG2 MET 48 2.645 -7.302 15.406 332 HG3 MET 48 HG3 MET 48 2.197 -7.464 13.710 333 HE1 MET 48 HE1 MET 48 4.485 -4.490 14.727 334 HE2 MET 48 HE2 MET 48 4.792 -5.630 16.037 335 HE3 MET 48 HE3 MET 48 6.068 -5.255 14.878 336 H ARG 49 H ARG 49 -0.072 -3.798 17.138 337 HA ARG 49 HA ARG 49 -0.793 -1.658 17.441 338 HB2 ARG 49 HB2 ARG 49 1.703 -0.674 16.074 339 HB3 ARG 49 HB3 ARG 49 0.719 0.154 17.272 340 HG2 ARG 49 HG2 ARG 49 1.441 -1.920 18.754 341 HG3 ARG 49 HG3 ARG 49 2.801 -1.923 17.628 342 HD2 ARG 49 HD2 ARG 49 2.471 0.748 18.317 343 HD3 ARG 49 HD3 ARG 49 2.216 -0.130 19.825 344 HE ARG 49 HE ARG 49 4.445 -0.620 19.862 345 HH11 ARG 49 HH11 ARG 49 3.558 0.338 16.635 346 HH12 ARG 49 HH12 ARG 49 5.188 0.343 16.048 347 HH21 ARG 49 HH21 ARG 49 6.595 -0.617 19.102 348 HH22 ARG 49 HH22 ARG 49 6.915 -0.201 17.452 349 H ASN 50 H ASN 50 1.079 -1.280 14.437 350 HA ASN 50 HA ASN 50 -1.240 -1.369 12.767 351 HB2 ASN 50 HB2 ASN 50 -1.070 0.999 13.999 352 HB3 ASN 50 3HB ASN 50 0.039 1.317 12.669 353 HD21 ASN 50 HD21 ASN 50 -2.688 2.327 13.358 354 HD22 ASN 50 HD22 ASN 50 -3.620 2.083 11.924 355 H VAL 51 H VAL 51 1.585 -2.361 13.072 356 HA VAL 51 HA VAL 51 3.075 -1.292 10.877 357 HB VAL 51 HB VAL 51 3.451 -3.901 12.355 358 HG11 VAL 51 HG11 VAL 51 5.904 -3.096 11.429 359 HG12 VAL 51 HG12 VAL 51 4.882 -4.332 10.689 360 HG13 VAL 51 HG13 VAL 51 4.831 -2.671 10.096 361 HG21 VAL 51 HG21 VAL 51 4.965 -2.791 13.775 362 HG22 VAL 51 HG22 VAL 51 4.995 -1.352 12.755 363 HG23 VAL 51 HG23 VAL 51 3.552 -1.737 13.692 364 H ALA 52 H ALA 52 1.130 -4.214 11.383 365 HA ALA 52 HA ALA 52 1.572 -5.209 8.733 366 HB1 ALA 52 HB1 ALA 52 -0.790 -6.229 10.106 367 HB2 ALA 52 HB2 ALA 52 0.626 -7.085 9.493 368 HB3 ALA 52 HB3 ALA 52 0.679 -6.313 11.078 369 H GLY 53 H GLY 53 -0.583 -2.945 10.157 370 HA2 GLY 53 HA1 GLY 53 -2.700 -3.208 8.243 371 HA3 GLY 53 HA2 GLY 53 -2.487 -1.892 9.387 372 H GLU 54 H GLU 54 -0.147 -0.766 8.722 373 HA GLU 54 HA GLU 54 -0.742 0.862 6.566 374 HB2 GLU 54 HB2 GLU 54 1.704 1.462 6.604 375 HB3 GLU 54 HB3 GLU 54 0.875 1.598 8.149 376 HG2 GLU 54 HG2 GLU 54 1.770 -0.660 8.733 377 HG3 GLU 54 HG3 GLU 54 2.742 -0.584 7.265 378 H ILE 55 H ILE 55 1.436 -1.948 6.654 379 HA ILE 55 HA ILE 55 2.126 -1.828 3.908 380 HB ILE 55 HB ILE 55 2.271 -4.096 5.891 381 HG12 ILE 55 HG12 ILE 55 4.729 -2.950 4.772 382 HG13 ILE 55 HG13 ILE 55 3.774 -1.799 5.698 383 HG21 ILE 55 HG21 ILE 55 2.174 -5.214 3.846 384 HG22 ILE 55 HG22 ILE 55 3.091 -3.961 3.011 385 HG23 ILE 55 HG23 ILE 55 3.903 -5.039 4.146 386 HD11 ILE 55 HD11 ILE 55 5.592 -3.604 6.702 387 HD12 ILE 55 HD12 ILE 55 4.378 -2.716 7.624 388 HD13 ILE 55 HD13 ILE 55 4.030 -4.347 7.051 389 H ALA 56 H ALA 56 -0.480 -3.345 5.678 390 HA ALA 56 HA ALA 56 -1.399 -5.231 3.900 391 HB1 ALA 56 HB1 ALA 56 -3.648 -3.816 4.961 392 HB2 ALA 56 HB2 ALA 56 -3.014 -5.398 5.412 393 HB3 ALA 56 HB3 ALA 56 -2.394 -3.945 6.195 394 H ALA 57 H ALA 57 -1.843 -1.736 3.805 395 HA ALA 57 HA ALA 57 -3.764 -1.583 1.786 396 HB1 ALA 57 HB1 ALA 57 -3.350 0.402 2.934 397 HB2 ALA 57 HB2 ALA 57 -1.606 0.291 2.688 398 HB3 ALA 57 HB3 ALA 57 -2.664 0.693 1.336 399 H ALA 58 H ALA 58 -0.214 -1.511 1.529 400 HA ALA 58 HA ALA 58 0.039 -1.198 -1.202 401 HB1 ALA 58 HB1 ALA 58 2.150 -1.220 -0.512 402 HB2 ALA 58 HB2 ALA 58 1.720 -2.080 0.967 403 HB3 ALA 58 HB3 ALA 58 2.063 -2.983 -0.509 404 H LEU 59 H LEU 59 -0.892 -4.028 0.610 405 HA LEU 59 HA LEU 59 -0.473 -5.943 -1.436 406 HB2 LEU 59 HB2 LEU 59 -2.574 -6.189 0.686 407 HB3 LEU 59 3HB LEU 59 -1.616 -7.460 -0.071 408 HG LEU 59 HG LEU 59 -0.806 -5.528 2.080 409 HD11 LEU 59 HD11 LEU 59 -1.390 -7.323 3.273 410 HD12 LEU 59 HD12 LEU 59 0.120 -8.026 2.693 411 HD13 LEU 59 HD13 LEU 59 -1.394 -8.379 1.861 412 HD21 LEU 59 HD21 LEU 59 1.176 -5.353 1.040 413 HD22 LEU 59 HD22 LEU 59 0.857 -6.724 -0.021 414 HD23 LEU 59 HD23 LEU 59 1.432 -6.997 1.624 415 H TYR 60 H TYR 60 -3.594 -4.775 -0.167 416 HA TYR 60 HA TYR 60 -5.121 -5.680 -2.327 417 HB2 TYR 60 HB2 TYR 60 -5.803 -3.289 -0.614 418 HB3 TYR 60 3HB TYR 60 -6.916 -4.378 -1.434 419 HD1 TYR 60 HD1 TYR 60 -7.183 -6.718 -0.598 420 HD2 TYR 60 HD2 TYR 60 -4.957 -3.794 1.546 421 HE1 TYR 60 HE1 TYR 60 -7.332 -8.101 1.431 422 HE2 TYR 60 HE2 TYR 60 -5.100 -5.168 3.580 423 HH TYR 60 HH TYR 60 -6.981 -8.162 3.648 424 H ALA 61 H ALA 61 -3.128 -2.888 -1.983 425 HA ALA 61 HA ALA 61 -4.311 -1.208 -3.911 426 HB1 ALA 61 HB1 ALA 61 -2.644 -0.457 -2.257 427 HB2 ALA 61 HB2 ALA 61 -1.402 -1.354 -3.131 428 HB3 ALA 61 HB3 ALA 61 -2.220 0.002 -3.907 429 H VAL 62 H VAL 62 -1.876 -3.756 -4.154 430 HA VAL 62 HA VAL 62 -1.376 -3.310 -6.944 431 HB VAL 62 HB VAL 62 -0.697 -5.695 -5.215 432 HG11 VAL 62 HG11 VAL 62 0.837 -6.348 -6.942 433 HG12 VAL 62 HG12 VAL 62 -0.763 -6.156 -7.661 434 HG13 VAL 62 HG13 VAL 62 0.461 -4.906 -7.885 435 HG21 VAL 62 HG21 VAL 62 1.388 -4.726 -4.812 436 HG22 VAL 62 HG22 VAL 62 1.203 -3.554 -6.116 437 HG23 VAL 62 HG23 VAL 62 0.261 -3.381 -4.635 438 H LYS 63 H LYS 63 -3.262 -5.641 -5.059 439 HA LYS 63 HA LYS 63 -4.058 -7.375 -7.048 440 HB2 LYS 63 HB2 LYS 63 -5.790 -6.369 -4.784 441 HB3 LYS 63 HB3 LYS 63 -6.004 -7.872 -5.671 442 HG2 LYS 63 HG2 LYS 63 -3.947 -8.748 -4.779 443 HG3 LYS 63 HG3 LYS 63 -3.597 -7.209 -3.988 444 HD2 LYS 63 HD2 LYS 63 -4.581 -8.125 -2.194 445 HD3 LYS 63 HD3 LYS 63 -6.096 -7.790 -3.037 446 HE2 LYS 63 HE2 LYS 63 -6.391 -9.976 -3.655 447 HE3 LYS 63 HE3 LYS 63 -4.663 -10.321 -3.661 448 HZ1 LYS 63 HZ1 LYS 63 -5.064 -11.320 -1.724 449 HZ2 LYS 63 HZ2 LYS 63 -6.572 -10.580 -1.530 450 HZ3 LYS 63 HZ3 LYS 63 -5.166 -9.767 -1.062 451 H LYS 64 H LYS 64 -5.660 -4.356 -6.055 452 HA LYS 64 HA LYS 64 -7.596 -4.514 -8.172 453 HB2 LYS 64 HB2 LYS 64 -6.883 -2.312 -6.232 454 HB3 LYS 64 HB3 LYS 64 -8.182 -2.187 -7.410 455 HG2 LYS 64 HG2 LYS 64 -8.967 -4.434 -6.285 456 HG3 LYS 64 HG3 LYS 64 -8.014 -3.818 -4.933 457 HD2 LYS 64 HD2 LYS 64 -9.325 -1.826 -4.823 458 HD3 LYS 64 HD3 LYS 64 -10.145 -2.213 -6.337 459 HE2 LYS 64 HE2 LYS 64 -10.352 -3.749 -3.748 460 HE3 LYS 64 HE3 LYS 64 -11.580 -2.682 -4.426 461 HZ1 LYS 64 HZ1 LYS 64 -10.859 -5.393 -5.181 462 HZ2 LYS 64 HZ2 LYS 64 -11.210 -4.344 -6.460 463 HZ3 LYS 64 HZ3 LYS 64 -12.359 -4.612 -5.247 464 H ALA 65 H ALA 65 -4.488 -3.008 -7.693 465 HA ALA 65 HA ALA 65 -4.494 -1.040 -9.637 466 HB1 ALA 65 HB1 ALA 65 -2.291 -2.831 -8.648 467 HB2 ALA 65 HB2 ALA 65 -2.010 -1.534 -9.811 468 HB3 ALA 65 HB3 ALA 65 -2.629 -1.157 -8.204 469 H SER 66 H SER 66 -4.252 -4.510 -9.993 470 HA SER 66 HA SER 66 -3.430 -4.444 -12.737 471 HB2 SER 66 HB2 SER 66 -2.820 -6.413 -11.602 472 HB3 SER 66 3HB SER 66 -4.424 -6.610 -10.897 473 HG SER 66 HG SER 66 -4.127 -8.060 -12.610 474 H GLN 67 H GLN 67 -6.459 -4.412 -11.036 475 HA GLN 67 HA GLN 67 -8.110 -5.217 -13.205 476 HB2 GLN 67 HB2 GLN 67 -8.653 -3.747 -10.633 477 HB3 GLN 67 HB3 GLN 67 -9.922 -4.066 -11.807 478 HG2 GLN 67 HG2 GLN 67 -9.065 -6.531 -11.607 479 HG3 GLN 67 HG3 GLN 67 -8.430 -5.960 -10.064 480 HE21 GLN 67 HE21 GLN 67 -10.338 -4.250 -9.213 481 HE22 GLN 67 HE22 GLN 67 -11.827 -5.086 -8.954 482 H LEU 68 H LEU 68 -7.038 -2.080 -11.980 483 HA LEU 68 HA LEU 68 -8.532 -0.655 -14.015 484 HB2 LEU 68 HB2 LEU 68 -6.465 0.574 -12.232 485 HB3 LEU 68 3HB LEU 68 -7.904 1.311 -12.934 486 HG LEU 68 HG LEU 68 -8.856 -0.709 -11.250 487 HD11 LEU 68 HD11 LEU 68 -7.778 -0.533 -9.208 488 HD12 LEU 68 HD12 LEU 68 -6.949 0.958 -9.658 489 HD13 LEU 68 HD13 LEU 68 -6.437 -0.580 -10.353 490 HD21 LEU 68 HD21 LEU 68 -9.979 1.376 -11.625 491 HD22 LEU 68 HD22 LEU 68 -8.644 2.278 -10.906 492 HD23 LEU 68 HD23 LEU 68 -9.641 1.227 -9.900 493 H GLY 69 H GLY 69 -5.531 -2.177 -13.776 494 HA2 GLY 69 HA1 GLY 69 -3.720 -2.267 -15.182 495 HA3 GLY 69 HA2 GLY 69 -4.750 -1.511 -16.389 496 H VAL 70 H VAL 70 -4.195 0.113 -13.382 497 HA VAL 70 HA VAL 70 -2.721 2.192 -14.818 498 HB VAL 70 HB VAL 70 -3.216 3.647 -12.948 499 HG11 VAL 70 HG11 VAL 70 -5.207 2.340 -14.543 500 HG12 VAL 70 HG12 VAL 70 -5.893 2.801 -12.984 501 HG13 VAL 70 HG13 VAL 70 -5.131 4.019 -14.008 502 HG21 VAL 70 HG21 VAL 70 -3.832 1.100 -11.618 503 HG22 VAL 70 HG22 VAL 70 -3.223 2.613 -10.948 504 HG23 VAL 70 HG23 VAL 70 -4.948 2.419 -11.266 505 H LYS 71 H LYS 71 -2.390 -0.085 -12.180 506 HA LYS 71 HA LYS 71 -0.585 -0.803 -10.997 507 HB2 LYS 71 HB2 LYS 71 1.085 0.718 -13.003 508 HB3 LYS 71 HB3 LYS 71 1.611 -0.607 -11.976 509 HG2 LYS 71 HG2 LYS 71 1.247 -1.869 -13.782 510 HG3 LYS 71 HG3 LYS 71 -0.452 -1.759 -13.318 511 HD2 LYS 71 HD2 LYS 71 -0.922 -0.164 -14.927 512 HD3 LYS 71 HD3 LYS 71 0.759 0.363 -15.040 513 HE2 LYS 71 HE2 LYS 71 1.332 -1.318 -16.472 514 HE3 LYS 71 HE3 LYS 71 0.134 -2.434 -15.814 515 HZ1 LYS 71 HZ1 LYS 71 -1.545 -0.826 -16.881 516 HZ2 LYS 71 HZ2 LYS 71 -0.716 -1.911 -17.879 517 HZ3 LYS 71 HZ3 LYS 71 -0.231 -0.291 -17.804 518 H ILE 72 H ILE 72 1.775 0.300 -10.238 519 HA ILE 72 HA ILE 72 1.188 3.002 -9.276 520 HB ILE 72 HB ILE 72 1.832 2.447 -6.992 521 HG12 ILE 72 HG12 ILE 72 2.097 -0.337 -8.117 522 HG13 ILE 72 HG13 ILE 72 3.302 0.603 -7.242 523 HG21 ILE 72 HG21 ILE 72 -0.573 2.062 -8.081 524 HG22 ILE 72 HG22 ILE 72 -0.264 0.424 -7.505 525 HG23 ILE 72 HG23 ILE 72 -0.244 1.776 -6.373 526 HD11 ILE 72 HD11 ILE 72 2.576 -0.991 -5.713 527 HD12 ILE 72 HD12 ILE 72 1.691 0.468 -5.264 528 HD13 ILE 72 HD13 ILE 72 0.886 -0.805 -6.180 529 H ARG 73 H ARG 73 3.235 3.639 -7.794 530 HA ARG 73 HA ARG 73 5.367 4.025 -9.510 531 HB2 ARG 73 HB2 ARG 73 5.195 5.441 -7.620 532 HB3 ARG 73 HB3 ARG 73 5.195 4.081 -6.505 533 HG2 ARG 73 HG2 ARG 73 7.309 5.281 -6.446 534 HG3 ARG 73 HG3 ARG 73 7.528 3.631 -7.031 535 HD2 ARG 73 HD2 ARG 73 7.793 4.347 -9.260 536 HD3 ARG 73 HD3 ARG 73 7.173 5.957 -8.897 537 HE ARG 73 HE ARG 73 9.422 5.670 -7.345 538 HH11 ARG 73 HH11 ARG 73 8.680 5.550 -10.744 539 HH12 ARG 73 HH12 ARG 73 10.240 6.118 -11.238 540 HH21 ARG 73 HH21 ARG 73 11.480 6.419 -7.983 541 HH22 ARG 73 HH22 ARG 73 11.833 6.612 -9.667 542 H ILE 74 H ILE 74 6.838 2.692 -10.312 543 HA ILE 74 HA ILE 74 7.446 0.215 -8.840 544 HB ILE 74 HB ILE 74 8.029 -0.822 -10.924 545 HG12 ILE 74 HG12 ILE 74 7.210 1.066 -12.874 546 HG13 ILE 74 HG13 ILE 74 8.336 1.890 -11.802 547 HG21 ILE 74 HG21 ILE 74 5.566 0.491 -11.847 548 HG22 ILE 74 HG22 ILE 74 5.911 -1.216 -11.572 549 HG23 ILE 74 HG23 ILE 74 5.505 -0.168 -10.212 550 HD11 ILE 74 HD11 ILE 74 10.044 0.305 -12.252 551 HD12 ILE 74 HD12 ILE 74 8.920 -0.751 -13.106 552 HD13 ILE 74 HD13 ILE 74 9.364 0.808 -13.800 553 H LEU 75 H LEU 75 9.729 -0.590 -10.051 554 HA LEU 75 HA LEU 75 11.991 -0.353 -10.059 555 HB2 LEU 75 HB2 LEU 75 11.128 1.770 -11.432 556 HB3 LEU 75 3HB LEU 75 11.874 2.606 -10.072 557 HG LEU 75 HG LEU 75 13.867 0.913 -10.764 558 HD11 LEU 75 HD11 LEU 75 13.821 0.217 -12.879 559 HD12 LEU 75 HD12 LEU 75 13.258 1.781 -13.467 560 HD13 LEU 75 HD13 LEU 75 12.099 0.601 -12.856 561 HD21 LEU 75 HD21 LEU 75 14.364 3.084 -12.368 562 HD22 LEU 75 HD22 LEU 75 14.705 2.980 -10.640 563 HD23 LEU 75 HD23 LEU 75 13.203 3.717 -11.200 564 H HIS 76 H HIS 76 10.854 -0.691 -7.614 565 HA HIS 76 HA HIS 76 11.317 -0.559 -5.391 566 HB2 HIS 76 HB2 HIS 76 13.745 1.066 -6.159 567 HB3 HIS 76 3HB HIS 76 13.512 0.110 -4.699 568 HD1 HIS 76 HD1 HIS 76 12.335 -2.379 -6.431 569 HD2 HIS 76 HD2 HIS 76 15.988 -0.452 -6.889 570 HE1 HIS 76 HE1 HIS 76 13.835 -4.042 -7.576 571 H ASP 77 H ASP 77 9.567 0.695 -4.810 572 HA ASP 77 HA ASP 77 9.636 3.564 -5.028 573 HB2 ASP 77 HB2 ASP 77 7.465 2.766 -5.208 574 HB3 ASP 77 3HB ASP 77 7.696 1.556 -3.948 575 H TYR 78 H TYR 78 10.616 4.883 -3.658 576 HA TYR 78 HA TYR 78 11.352 3.885 -1.003 577 HB2 TYR 78 HB2 TYR 78 12.802 6.002 -1.007 578 HB3 TYR 78 3HB TYR 78 13.260 4.708 -2.108 579 HD1 TYR 78 HD1 TYR 78 11.896 8.096 -1.848 580 HD2 TYR 78 HD2 TYR 78 13.015 4.971 -4.511 581 HE1 TYR 78 HE1 TYR 78 11.818 9.679 -3.730 582 HE2 TYR 78 HE2 TYR 78 12.942 6.546 -6.398 583 HH TYR 78 HH TYR 78 11.913 9.907 -5.950 584 H ALA 79 H ALA 79 8.748 4.362 -1.014 585 HA ALA 79 HA ALA 79 8.375 7.064 0.089 586 HB1 ALA 79 HB1 ALA 79 6.474 5.111 -1.161 587 HB2 ALA 79 HB2 ALA 79 5.899 6.449 -0.164 588 HB3 ALA 79 HB3 ALA 79 6.823 6.775 -1.631 589 H GLY 80 H GLY 80 9.504 4.585 1.420 590 HA2 GLY 80 HA1 GLY 80 9.159 4.744 3.953 591 HA3 GLY 80 HA2 GLY 80 7.507 4.283 3.569 592 H ILE 81 H ILE 81 7.762 2.317 1.750 593 HA ILE 81 HA ILE 81 8.369 0.067 3.286 594 HB ILE 81 HB ILE 81 7.904 0.481 0.358 595 HG12 ILE 81 HG12 ILE 81 5.963 -0.967 0.820 596 HG13 ILE 81 HG13 ILE 81 6.495 -1.144 2.489 597 HG21 ILE 81 HG21 ILE 81 7.928 -2.127 0.311 598 HG22 ILE 81 HG22 ILE 81 9.429 -1.226 0.109 599 HG23 ILE 81 HG23 ILE 81 9.039 -1.948 1.669 600 HD11 ILE 81 HD11 ILE 81 6.108 1.181 2.914 601 HD12 ILE 81 HD12 ILE 81 5.748 1.475 1.212 602 HD13 ILE 81 HD13 ILE 81 4.661 0.483 2.185 603 H ALA 82 H ALA 82 10.354 1.963 1.124 604 HA ALA 82 HA ALA 82 12.487 0.058 0.955 605 HB1 ALA 82 HB1 ALA 82 12.770 3.000 0.437 606 HB2 ALA 82 HB2 ALA 82 13.637 1.656 -0.307 607 HB3 ALA 82 HB3 ALA 82 11.939 1.933 -0.696 608 H PHE 83 H PHE 83 11.426 2.139 3.375 609 HA PHE 83 HA PHE 83 13.824 3.050 4.506 610 HB2 PHE 83 HB2 PHE 83 11.415 3.717 5.090 611 HB3 PHE 83 3HB PHE 83 11.397 2.289 6.120 612 HD1 PHE 83 HD1 PHE 83 12.878 2.154 8.075 613 HD2 PHE 83 HD2 PHE 83 12.608 5.681 5.709 614 HE1 PHE 83 HE1 PHE 83 13.934 3.445 9.885 615 HE2 PHE 83 HE2 PHE 83 13.664 6.977 7.513 616 HZ PHE 83 HZ PHE 83 14.329 5.860 9.604 617 H TRP 84 H TRP 84 11.849 0.232 5.446 618 HA TRP 84 HA TRP 84 13.989 -0.806 7.086 619 HB2 TRP 84 HB2 TRP 84 12.392 -2.073 8.053 620 HB3 TRP 84 3HB TRP 84 11.263 -1.043 7.178 621 HD1 TRP 84 HD1 TRP 84 12.924 -4.512 6.941 622 HE1 TRP 84 HE1 TRP 84 11.461 -6.004 5.438 623 HE3 TRP 84 HE3 TRP 84 9.526 -1.021 5.388 624 HZ2 TRP 84 HZ2 TRP 84 9.170 -5.738 3.811 625 HZ3 TRP 84 HZ3 TRP 84 7.730 -1.721 3.858 626 HH2 TRP 84 HH2 TRP 84 7.558 -4.032 3.087 627 H ALA 85 H ALA 85 13.127 -0.979 3.828 628 HA ALA 85 HA ALA 85 13.681 -3.559 3.040 629 HB1 ALA 85 HB1 ALA 85 12.879 -1.890 1.488 630 HB2 ALA 85 HB2 ALA 85 14.395 -0.998 1.618 631 HB3 ALA 85 HB3 ALA 85 14.375 -2.598 0.879 632 H THR 86 H THR 86 15.844 -1.188 4.305 633 HA THR 86 HA THR 86 18.279 -2.119 3.255 634 HB THR 86 HB THR 86 19.366 -0.945 5.094 635 HG1 THR 86 HG1 THR 86 18.260 -1.178 6.915 636 HG21 THR 86 HG21 THR 86 17.018 0.410 3.798 637 HG22 THR 86 HG22 THR 86 18.730 0.539 3.395 638 HG23 THR 86 HG23 THR 86 18.111 1.288 4.867 639 H GLY 87 H GLY 87 16.392 -3.108 6.064 640 HA2 GLY 87 HA1 GLY 87 16.426 -5.306 6.940 641 HA3 GLY 87 HA2 GLY 87 18.009 -5.545 6.213 642 H GLU 88 H GLU 88 16.261 -4.258 8.943 643 HA GLU 88 HA GLU 88 18.779 -3.641 10.312 644 HB2 GLU 88 HB2 GLU 88 16.094 -2.560 10.406 645 HB3 GLU 88 HB3 GLU 88 16.646 -3.013 12.012 646 HG2 GLU 88 HG2 GLU 88 18.808 -1.716 11.287 647 HG3 GLU 88 HG3 GLU 88 17.697 -0.942 10.158 648 H TRP 89 H TRP 89 15.661 -5.148 11.179 649 HA TRP 89 HA TRP 89 17.175 -7.118 12.766 650 HB2 TRP 89 HB2 TRP 89 15.249 -5.252 13.671 651 HB3 TRP 89 3HB TRP 89 14.484 -6.837 13.729 652 HD1 TRP 89 HD1 TRP 89 17.616 -5.025 15.089 653 HE1 TRP 89 HE1 TRP 89 18.306 -6.168 17.291 654 HE3 TRP 89 HE3 TRP 89 14.253 -8.876 15.094 655 HZ2 TRP 89 HZ2 TRP 89 17.529 -8.406 18.825 656 HZ3 TRP 89 HZ3 TRP 89 14.293 -10.474 16.965 657 HH2 TRP 89 HH2 TRP 89 15.898 -10.242 18.790 658 H LYS 90 H LYS 90 16.113 -9.204 13.036 659 HA LYS 90 HA LYS 90 14.930 -10.083 10.555 660 HB2 LYS 90 HB2 LYS 90 16.089 -11.376 12.962 661 HB3 LYS 90 HB3 LYS 90 14.881 -12.299 12.078 662 HG2 LYS 90 HG2 LYS 90 16.341 -11.656 10.005 663 HG3 LYS 90 HG3 LYS 90 17.594 -11.418 11.224 664 HD2 LYS 90 HD2 LYS 90 15.983 -13.928 11.273 665 HD3 LYS 90 HD3 LYS 90 17.262 -13.755 10.069 666 HE2 LYS 90 HE2 LYS 90 17.765 -13.209 12.976 667 HE3 LYS 90 HE3 LYS 90 17.842 -14.846 12.326 668 HZ1 LYS 90 HZ1 LYS 90 19.314 -13.073 10.687 669 HZ2 LYS 90 HZ2 LYS 90 19.851 -14.441 11.525 670 HZ3 LYS 90 HZ3 LYS 90 19.836 -12.932 12.289 671 H ALA 91 H ALA 91 12.901 -9.039 10.589 672 HA ALA 91 HA ALA 91 11.043 -9.543 12.736 673 HB1 ALA 91 HB1 ALA 91 9.611 -8.061 11.684 674 HB2 ALA 91 HB2 ALA 91 11.197 -7.460 11.197 675 HB3 ALA 91 HB3 ALA 91 10.240 -8.431 10.079 676 H LYS 92 H LYS 92 12.181 -11.474 10.380 677 HA LYS 92 HA LYS 92 10.128 -12.608 8.993 678 HB2 LYS 92 HB2 LYS 92 12.371 -13.399 8.687 679 HB3 LYS 92 HB3 LYS 92 12.463 -13.957 10.352 680 HG2 LYS 92 HG2 LYS 92 10.268 -15.155 8.853 681 HG3 LYS 92 HG3 LYS 92 11.861 -15.501 8.174 682 HD2 LYS 92 HD2 LYS 92 12.545 -16.670 10.023 683 HD3 LYS 92 HD3 LYS 92 11.490 -15.770 11.116 684 HE2 LYS 92 HE2 LYS 92 9.661 -17.006 9.550 685 HE3 LYS 92 HE3 LYS 92 10.962 -18.196 9.530 686 HZ1 LYS 92 HZ1 LYS 92 9.829 -18.832 11.387 687 HZ2 LYS 92 HZ2 LYS 92 9.329 -17.264 11.778 688 HZ3 LYS 92 HZ3 LYS 92 10.919 -17.748 12.091 689 H ASN 93 H ASN 93 10.818 -12.944 12.413 690 HA ASN 93 HA ASN 93 8.706 -14.924 12.749 691 HB2 ASN 93 HB2 ASN 93 11.042 -14.767 13.997 692 HB3 ASN 93 3HB ASN 93 10.136 -13.706 15.070 693 HD21 ASN 93 HD21 ASN 93 9.988 -14.963 16.832 694 HD22 ASN 93 HD22 ASN 93 9.201 -16.500 16.875 695 H GLU 94 H GLU 94 7.695 -12.571 11.780 696 HA GLU 94 HA GLU 94 6.047 -11.699 14.034 697 HB2 GLU 94 HB2 GLU 94 7.444 -9.824 12.118 698 HB3 GLU 94 HB3 GLU 94 6.187 -9.339 13.247 699 HG2 GLU 94 HG2 GLU 94 8.765 -10.623 14.104 700 HG3 GLU 94 HG3 GLU 94 8.541 -8.879 13.974 701 H PHE 95 H PHE 95 6.349 -10.534 10.695 702 HA PHE 95 HA PHE 95 4.308 -11.995 9.524 703 HB2 PHE 95 HB2 PHE 95 3.248 -10.237 11.424 704 HB3 PHE 95 3HB PHE 95 2.957 -9.455 9.874 705 HD1 PHE 95 HD1 PHE 95 1.751 -10.755 8.078 706 HD2 PHE 95 HD2 PHE 95 1.933 -12.033 12.135 707 HE1 PHE 95 HE1 PHE 95 -0.188 -12.223 7.699 708 HE2 PHE 95 HE2 PHE 95 -0.005 -13.503 11.762 709 HZ PHE 95 HZ PHE 95 -1.067 -13.599 9.543 710 H THR 96 H THR 96 6.093 -9.030 9.773 711 HA THR 96 HA THR 96 5.501 -7.733 7.418 712 HB THR 96 HB THR 96 8.385 -7.872 8.077 713 HG1 THR 96 HG1 THR 96 7.986 -6.623 10.009 714 HG21 THR 96 HG21 THR 96 7.680 -6.178 6.563 715 HG22 THR 96 HG22 THR 96 8.029 -5.370 8.092 716 HG23 THR 96 HG23 THR 96 6.359 -5.688 7.623 717 H GLN 97 H GLN 97 7.683 -10.472 7.920 718 HA GLN 97 HA GLN 97 8.917 -10.623 5.468 719 HB2 GLN 97 HB2 GLN 97 8.663 -12.282 7.699 720 HB3 GLN 97 HB3 GLN 97 8.086 -13.257 6.354 721 HG2 GLN 97 HG2 GLN 97 10.456 -11.951 5.521 722 HG3 GLN 97 HG3 GLN 97 10.754 -12.662 7.107 723 HE21 GLN 97 HE21 GLN 97 8.678 -13.753 4.462 724 HE22 GLN 97 HE22 GLN 97 9.464 -15.275 4.237 725 H ALA 98 H ALA 98 5.685 -11.732 6.358 726 HA ALA 98 HA ALA 98 4.969 -13.184 4.137 727 HB1 ALA 98 HB1 ALA 98 2.827 -13.024 4.879 728 HB2 ALA 98 HB2 ALA 98 3.651 -12.431 6.321 729 HB3 ALA 98 HB3 ALA 98 2.941 -11.290 5.179 730 H TYR 99 H TYR 99 5.326 -9.722 4.447 731 HA TYR 99 HA TYR 99 3.911 -8.818 2.248 732 HB2 TYR 99 HB2 TYR 99 4.876 -7.249 3.792 733 HB3 TYR 99 3HB TYR 99 6.504 -7.811 3.429 734 HD1 TYR 99 HD1 TYR 99 3.571 -6.081 1.949 735 HD2 TYR 99 HD2 TYR 99 7.750 -6.834 1.695 736 HE1 TYR 99 HE1 TYR 99 3.768 -4.359 0.204 737 HE2 TYR 99 HE2 TYR 99 7.960 -5.114 -0.050 738 HH TYR 99 HH TYR 99 5.385 -2.950 -0.816 739 H ALA 100 H ALA 100 7.352 -9.744 2.360 740 HA ALA 100 HA ALA 100 7.913 -9.416 -0.348 741 HB1 ALA 100 HB1 ALA 100 9.363 -10.134 1.823 742 HB2 ALA 100 HB2 ALA 100 9.282 -11.667 0.954 743 HB3 ALA 100 HB3 ALA 100 9.943 -10.236 0.161 744 H LYS 101 H LYS 101 6.305 -12.015 1.336 745 HA LYS 101 HA LYS 101 6.478 -13.911 -0.798 746 HB2 LYS 101 HB2 LYS 101 4.389 -13.939 1.367 747 HB3 LYS 101 HB3 LYS 101 5.105 -15.304 0.520 748 HG2 LYS 101 HG2 LYS 101 6.459 -13.535 2.545 749 HG3 LYS 101 HG3 LYS 101 5.945 -15.209 2.772 750 HD2 LYS 101 HD2 LYS 101 7.575 -15.139 0.464 751 HD3 LYS 101 HD3 LYS 101 8.405 -14.210 1.715 752 HE2 LYS 101 HE2 LYS 101 7.931 -16.176 3.261 753 HE3 LYS 101 HE3 LYS 101 7.492 -17.074 1.808 754 HZ1 LYS 101 HZ1 LYS 101 9.624 -17.217 1.143 755 HZ2 LYS 101 HZ2 LYS 101 9.953 -17.006 2.789 756 HZ3 LYS 101 HZ3 LYS 101 10.045 -15.688 1.733 757 H LEU 102 H LEU 102 3.816 -11.903 0.465 758 HA LEU 102 HA LEU 102 1.921 -12.593 -1.469 759 HB2 LEU 102 HB2 LEU 102 2.292 -10.347 0.429 760 HB3 LEU 102 3HB LEU 102 1.140 -10.112 -0.884 761 HG LEU 102 HG LEU 102 1.028 -12.352 1.134 762 HD11 LEU 102 HD11 LEU 102 -1.034 -10.243 1.064 763 HD12 LEU 102 HD12 LEU 102 0.538 -9.781 1.717 764 HD13 LEU 102 HD13 LEU 102 -0.352 -11.126 2.430 765 HD21 LEU 102 HD21 LEU 102 -1.359 -11.623 -0.392 766 HD22 LEU 102 HD22 LEU 102 -0.694 -13.212 -0.013 767 HD23 LEU 102 HD23 LEU 102 -0.052 -12.288 -1.372 768 H MET 103 H MET 103 4.621 -10.416 -1.597 769 HA MET 103 HA MET 103 3.899 -8.722 -3.669 770 HB2 MET 103 HB2 MET 103 5.942 -8.379 -2.426 771 HB3 MET 103 HB3 MET 103 6.599 -9.903 -3.006 772 HG2 MET 103 HG2 MET 103 7.319 -9.000 -4.909 773 HG3 MET 103 HG3 MET 103 5.823 -8.102 -5.155 774 HE1 MET 103 HE1 MET 103 9.011 -8.285 -2.944 775 HE2 MET 103 HE2 MET 103 9.561 -7.735 -4.527 776 HE3 MET 103 HE3 MET 103 9.662 -6.657 -3.133 777 H ASN 104 H ASN 104 5.959 -11.608 -4.075 778 HA ASN 104 HA ASN 104 5.870 -11.741 -6.829 779 HB2 ASN 104 HB2 ASN 104 7.399 -13.119 -5.553 780 HB3 ASN 104 3HB ASN 104 6.058 -14.001 -4.827 781 HD21 ASN 104 HD21 ASN 104 4.774 -15.352 -6.196 782 HD22 ASN 104 HD22 ASN 104 5.463 -16.045 -7.620 783 H GLN 105 H GLN 105 3.484 -12.763 -4.495 784 HA GLN 105 HA GLN 105 1.927 -14.495 -5.974 785 HB2 GLN 105 HB2 GLN 105 1.684 -13.139 -3.548 786 HB3 GLN 105 HB3 GLN 105 0.278 -12.635 -4.478 787 HG2 GLN 105 HG2 GLN 105 0.999 -15.527 -4.259 788 HG3 GLN 105 HG3 GLN 105 0.115 -14.715 -2.968 789 HE21 GLN 105 HE21 GLN 105 0.049 -15.046 -6.501 790 HE22 GLN 105 HE22 GLN 105 -1.668 -15.186 -6.627 791 H TYR 106 H TYR 106 1.781 -10.947 -5.907 792 HA TYR 106 HA TYR 106 0.336 -11.051 -8.468 793 HB2 TYR 106 HB2 TYR 106 -0.722 -8.825 -7.600 794 HB3 TYR 106 3HB TYR 106 -1.386 -10.367 -7.071 795 HD1 TYR 106 HD1 TYR 106 1.324 -8.011 -6.010 796 HD2 TYR 106 HD2 TYR 106 -1.905 -10.521 -4.836 797 HE1 TYR 106 HE1 TYR 106 1.668 -7.346 -3.667 798 HE2 TYR 106 HE2 TYR 106 -1.572 -9.862 -2.490 799 HH TYR 106 HH TYR 106 1.197 -8.181 -1.429 800 H ARG 107 H ARG 107 3.142 -10.806 -8.091 801 HA ARG 107 HA ARG 107 3.887 -8.042 -8.321 802 HB2 ARG 107 HB2 ARG 107 6.110 -8.803 -8.510 803 HB3 ARG 107 HB3 ARG 107 5.334 -9.931 -7.406 804 HG2 ARG 107 HG2 ARG 107 6.382 -11.435 -8.722 805 HG3 ARG 107 HG3 ARG 107 4.917 -11.242 -9.687 806 HD2 ARG 107 HD2 ARG 107 5.975 -9.943 -11.277 807 HD3 ARG 107 HD3 ARG 107 7.245 -9.436 -10.163 808 HE ARG 107 HE ARG 107 7.644 -12.111 -10.437 809 HH11 ARG 107 HH11 ARG 107 7.364 -9.451 -12.666 810 HH12 ARG 107 HH12 ARG 107 8.408 -10.164 -13.851 811 HH21 ARG 107 HH21 ARG 107 9.020 -13.060 -11.989 812 HH22 ARG 107 HH22 ARG 107 9.349 -12.217 -13.465 813 H GLY 108 H GLY 108 5.036 -7.173 -10.214 814 HA2 GLY 108 HA1 GLY 108 5.511 -7.641 -12.639 815 HA3 GLY 108 HA2 GLY 108 3.848 -8.204 -12.714 816 H ILE 109 H ILE 109 2.451 -6.320 -11.384 817 HA ILE 109 HA ILE 109 2.483 -4.138 -13.252 818 HB ILE 109 HB ILE 109 0.575 -3.276 -11.825 819 HG12 ILE 109 HG12 ILE 109 1.570 -4.988 -9.936 820 HG13 ILE 109 HG13 ILE 109 -0.053 -4.306 -9.917 821 HG21 ILE 109 HG21 ILE 109 0.454 -6.014 -13.070 822 HG22 ILE 109 HG22 ILE 109 -0.971 -5.103 -12.574 823 HG23 ILE 109 HG23 ILE 109 0.089 -4.464 -13.829 824 HD11 ILE 109 HD11 ILE 109 -0.971 -6.275 -10.876 825 HD12 ILE 109 HD12 ILE 109 0.633 -6.932 -11.205 826 HD13 ILE 109 HD13 ILE 109 0.071 -6.767 -9.542 827 H TYR 110 H TYR 110 3.473 -4.654 -9.939 828 HA TYR 110 HA TYR 110 4.515 -1.901 -9.882 829 HB2 TYR 110 HB2 TYR 110 3.858 -1.579 -7.665 830 HB3 TYR 110 3HB TYR 110 2.480 -2.425 -8.362 831 HD1 TYR 110 HD1 TYR 110 2.685 -5.094 -8.177 832 HD2 TYR 110 HD2 TYR 110 4.606 -2.297 -5.609 833 HE1 TYR 110 HE1 TYR 110 2.861 -6.823 -6.437 834 HE2 TYR 110 HE2 TYR 110 4.789 -4.019 -3.862 835 HH TYR 110 HH TYR 110 4.436 -6.143 -3.326 836 H SER 111 H SER 111 6.144 -1.773 -7.904 837 HA SER 111 HA SER 111 7.698 -4.157 -7.476 838 HB2 SER 111 HB2 SER 111 9.294 -1.990 -8.751 839 HB3 SER 111 3HB SER 111 9.538 -3.736 -8.782 840 HG SER 111 HG SER 111 8.374 -3.859 -10.531 841 H PHE 112 H PHE 112 9.425 -3.842 -5.954 842 HA PHE 112 HA PHE 112 9.599 -1.246 -4.649 843 HB2 PHE 112 HB2 PHE 112 8.295 -3.641 -3.466 844 HB3 PHE 112 3HB PHE 112 9.344 -2.698 -2.412 845 HD1 PHE 112 HD1 PHE 112 6.297 -2.614 -4.469 846 HD2 PHE 112 HD2 PHE 112 8.697 -0.549 -1.626 847 HE1 PHE 112 HE1 PHE 112 4.467 -1.012 -4.093 848 HE2 PHE 112 HE2 PHE 112 6.872 1.056 -1.245 849 HZ PHE 112 HZ PHE 112 4.753 0.825 -2.479 850 H GLU 113 H GLU 113 11.247 -1.331 -2.825 851 HA GLU 113 HA GLU 113 13.695 -2.238 -3.819 852 HB2 GLU 113 HB2 GLU 113 12.844 -0.648 -1.693 853 HB3 GLU 113 HB3 GLU 113 13.703 -1.977 -0.926 854 HG2 GLU 113 HG2 GLU 113 15.449 -1.379 -2.869 855 HG3 GLU 113 HG3 GLU 113 14.712 0.203 -2.631 856 H LYS 114 H LYS 114 15.160 -3.548 -2.082 857 HA LYS 114 HA LYS 114 14.146 -6.234 -2.223 858 HB2 LYS 114 HB2 LYS 114 16.537 -5.604 -2.651 859 HB3 LYS 114 HB3 LYS 114 16.700 -5.263 -0.933 860 HG2 LYS 114 HG2 LYS 114 16.741 -7.450 -0.360 861 HG3 LYS 114 HG3 LYS 114 15.651 -7.928 -1.664 862 HD2 LYS 114 HD2 LYS 114 17.358 -8.468 -2.991 863 HD3 LYS 114 HD3 LYS 114 18.152 -6.919 -2.703 864 HE2 LYS 114 HE2 LYS 114 18.687 -8.078 -0.369 865 HE3 LYS 114 HE3 LYS 114 18.520 -9.535 -1.348 866 HZ1 LYS 114 HZ1 LYS 114 20.344 -7.266 -1.938 867 HZ2 LYS 114 HZ2 LYS 114 20.196 -8.679 -2.855 868 HZ3 LYS 114 HZ3 LYS 114 20.809 -8.754 -1.281 869 H VAL 115 H VAL 115 12.319 -5.302 -0.708 870 HA VAL 115 HA VAL 115 12.663 -4.875 1.993 871 HB VAL 115 HB VAL 115 10.355 -6.010 2.216 872 HG11 VAL 115 HG11 VAL 115 10.539 -3.636 2.174 873 HG12 VAL 115 HG12 VAL 115 10.854 -3.631 0.437 874 HG13 VAL 115 HG13 VAL 115 9.259 -4.081 1.045 875 HG21 VAL 115 HG21 VAL 115 10.162 -5.725 -0.737 876 HG22 VAL 115 HG22 VAL 115 10.888 -7.196 -0.087 877 HG23 VAL 115 HG23 VAL 115 9.241 -6.752 0.364 878 H LYS 116 H LYS 116 12.451 -6.234 3.839 879 HA LYS 116 HA LYS 116 13.013 -9.081 3.381 880 HB2 LYS 116 HB2 LYS 116 14.519 -7.211 5.213 881 HB3 LYS 116 HB3 LYS 116 14.622 -8.963 5.324 882 HG2 LYS 116 HG2 LYS 116 15.158 -7.690 2.694 883 HG3 LYS 116 HG3 LYS 116 16.379 -7.553 3.961 884 HD2 LYS 116 HD2 LYS 116 16.450 -9.973 4.185 885 HD3 LYS 116 HD3 LYS 116 15.173 -10.140 2.977 886 HE2 LYS 116 HE2 LYS 116 16.808 -8.797 1.462 887 HE3 LYS 116 HE3 LYS 116 18.028 -9.319 2.623 888 HZ1 LYS 116 HZ1 LYS 116 17.677 -10.785 0.618 889 HZ2 LYS 116 HZ2 LYS 116 16.191 -11.226 1.297 890 HZ3 LYS 116 HZ3 LYS 116 17.630 -11.561 2.121 891 H ALA 117 H ALA 117 12.908 -7.133 6.342 892 HA ALA 117 HA ALA 117 10.294 -7.674 7.121 893 HB1 ALA 117 HB1 ALA 117 10.238 -9.727 7.981 894 HB2 ALA 117 HB2 ALA 117 11.780 -10.010 7.173 895 HB3 ALA 117 HB3 ALA 117 11.751 -9.481 8.855 896 H HIS 118 H HIS 118 10.368 -5.661 8.027 897 HA HIS 118 HA HIS 118 11.216 -5.406 10.686 898 HB2 HIS 118 HB2 HIS 118 13.456 -5.329 9.511 899 HB3 HIS 118 3HB HIS 118 12.936 -3.811 8.784 900 HD1 HIS 118 HD1 HIS 118 13.607 -1.797 10.042 901 HD2 HIS 118 HD2 HIS 118 13.335 -5.132 12.505 902 HE1 HIS 118 HE1 HIS 118 14.348 -1.017 12.314 903 H SER 119 H SER 119 10.912 -3.181 11.527 904 HA SER 119 HA SER 119 8.897 -1.763 9.914 905 HB2 SER 119 HB2 SER 119 8.309 -2.815 12.212 906 HB3 SER 119 3HB SER 119 9.198 -1.454 12.892 907 HG SER 119 HG SER 119 7.144 -1.082 10.991 908 H GLY 120 H GLY 120 8.748 0.612 11.244 909 HA2 GLY 120 HA1 GLY 120 11.426 1.747 11.422 910 HA3 GLY 120 HA2 GLY 120 10.432 2.323 10.092 911 H ASN 121 H ASN 121 10.143 4.406 10.738 912 HA ASN 121 HA ASN 121 8.680 4.784 13.268 913 HB2 ASN 121 HB2 ASN 121 9.763 7.201 13.004 914 HB3 ASN 121 3HB ASN 121 10.614 5.889 13.815 915 HD21 ASN 121 HD21 ASN 121 12.044 4.567 12.407 916 HD22 ASN 121 HD22 ASN 121 12.944 5.391 11.185 917 H GLU 122 H GLU 122 9.448 7.163 10.783 918 HA GLU 122 HA GLU 122 6.561 7.483 10.307 919 HB2 GLU 122 HB2 GLU 122 7.180 9.797 9.548 920 HB3 GLU 122 HB3 GLU 122 7.460 9.480 11.254 921 HG2 GLU 122 HG2 GLU 122 9.802 9.281 10.918 922 HG3 GLU 122 HG3 GLU 122 9.611 9.285 9.165 923 H PHE 123 H PHE 123 8.873 5.842 8.970 924 HA PHE 123 HA PHE 123 9.386 6.677 6.412 925 HB2 PHE 123 HB2 PHE 123 9.671 4.344 5.811 926 HB3 PHE 123 3HB PHE 123 10.280 4.600 7.442 927 HD1 PHE 123 HD1 PHE 123 9.141 3.660 9.359 928 HD2 PHE 123 HD2 PHE 123 7.685 3.033 5.409 929 HE1 PHE 123 HE1 PHE 123 7.698 1.846 10.182 930 HE2 PHE 123 HE2 PHE 123 6.239 1.218 6.226 931 HZ PHE 123 HZ PHE 123 6.246 0.621 8.615 932 H ASN 124 H ASN 124 6.450 5.148 7.634 933 HA ASN 124 HA ASN 124 5.207 5.001 5.049 934 HB2 ASN 124 HB2 ASN 124 3.351 4.060 6.151 935 HB3 ASN 124 3HB ASN 124 4.739 3.500 7.079 936 HD21 ASN 124 HD21 ASN 124 2.031 5.694 7.014 937 HD22 ASN 124 HD22 ASN 124 2.005 6.023 8.709 938 H ASP 125 H ASP 125 5.182 7.225 7.762 939 HA ASP 125 HA ASP 125 2.952 8.763 7.078 940 HB2 ASP 125 HB2 ASP 125 5.460 9.308 8.625 941 HB3 ASP 125 3HB ASP 125 4.355 10.632 8.267 942 H TYR 126 H TYR 126 6.086 8.579 5.651 943 HA TYR 126 HA TYR 126 6.393 11.061 4.481 944 HB2 TYR 126 HB2 TYR 126 8.207 9.632 4.195 945 HB3 TYR 126 3HB TYR 126 7.199 8.296 3.652 946 HD1 TYR 126 HD1 TYR 126 6.306 8.283 1.337 947 HD2 TYR 126 HD2 TYR 126 9.076 11.234 2.653 948 HE1 TYR 126 HE1 TYR 126 6.803 8.855 -1.004 949 HE2 TYR 126 HE2 TYR 126 9.578 11.813 0.317 950 HH TYR 126 HH TYR 126 9.223 11.322 -1.820 951 H VAL 127 H VAL 127 4.423 8.334 3.419 952 HA VAL 127 HA VAL 127 3.696 9.237 0.890 953 HB VAL 127 HB VAL 127 1.770 7.791 1.034 954 HG11 VAL 127 HG11 VAL 127 4.009 6.509 2.590 955 HG12 VAL 127 HG12 VAL 127 2.843 5.713 1.532 956 HG13 VAL 127 HG13 VAL 127 4.056 6.798 0.851 957 HG21 VAL 127 HG21 VAL 127 1.837 6.683 3.589 958 HG22 VAL 127 HG22 VAL 127 1.944 8.425 3.846 959 HG23 VAL 127 HG23 VAL 127 0.598 7.750 2.927 960 H ASP 128 H ASP 128 2.787 10.405 3.995 961 HA ASP 128 HA ASP 128 0.301 11.566 3.417 962 HB2 ASP 128 HB2 ASP 128 2.426 12.505 5.357 963 HB3 ASP 128 3HB ASP 128 0.742 13.022 5.359 964 H MET 129 H MET 129 3.561 13.000 3.333 965 HA MET 129 HA MET 129 2.649 15.480 2.256 966 HB2 MET 129 HB2 MET 129 4.814 14.976 3.583 967 HB3 MET 129 HB3 MET 129 5.474 14.481 2.030 968 HG2 MET 129 HG2 MET 129 5.195 16.654 1.123 969 HG3 MET 129 HG3 MET 129 4.240 17.177 2.508 970 HE1 MET 129 HE1 MET 129 7.763 15.581 1.656 971 HE2 MET 129 HE2 MET 129 8.631 15.957 3.143 972 HE3 MET 129 HE3 MET 129 7.251 14.859 3.181 973 H LYS 130 H LYS 130 4.129 12.575 0.886 974 HA LYS 130 HA LYS 130 4.487 13.519 -1.730 975 HB2 LYS 130 HB2 LYS 130 4.917 11.124 -0.372 976 HB3 LYS 130 HB3 LYS 130 3.763 10.706 -1.630 977 HG2 LYS 130 HG2 LYS 130 6.362 12.138 -2.124 978 HG3 LYS 130 HG3 LYS 130 6.131 10.396 -2.286 979 HD2 LYS 130 HD2 LYS 130 5.535 10.786 -4.400 980 HD3 LYS 130 HD3 LYS 130 4.054 11.501 -3.758 981 HE2 LYS 130 HE2 LYS 130 5.118 13.033 -5.304 982 HE3 LYS 130 HE3 LYS 130 5.174 13.689 -3.669 983 HZ1 LYS 130 HZ1 LYS 130 7.373 13.756 -3.752 984 HZ2 LYS 130 HZ2 LYS 130 7.298 13.329 -5.387 985 HZ3 LYS 130 HZ3 LYS 130 7.482 12.130 -4.208 986 H ALA 131 H ALA 131 1.814 11.592 -0.369 987 HA ALA 131 HA ALA 131 0.213 11.450 -2.622 988 HB1 ALA 131 HB1 ALA 131 -1.703 11.355 -0.915 989 HB2 ALA 131 HB2 ALA 131 -0.444 10.122 -0.823 990 HB3 ALA 131 HB3 ALA 131 -0.434 11.478 0.305 991 H LYS 132 H LYS 132 0.633 14.085 -0.347 992 HA LYS 132 HA LYS 132 -1.560 15.665 -0.909 993 HB2 LYS 132 HB2 LYS 132 0.886 15.974 0.443 994 HB3 LYS 132 HB3 LYS 132 0.808 17.303 -0.708 995 HG2 LYS 132 HG2 LYS 132 -1.685 17.401 0.322 996 HG3 LYS 132 HG3 LYS 132 -0.782 16.795 1.711 997 HD2 LYS 132 HD2 LYS 132 0.851 18.691 1.301 998 HD3 LYS 132 HD3 LYS 132 -0.339 19.346 0.174 999 HE2 LYS 132 HE2 LYS 132 -1.443 20.268 1.865 1000 HE3 LYS 132 HE3 LYS 132 -1.677 18.679 2.590 1001 HZ1 LYS 132 HZ1 LYS 132 0.434 20.662 3.124 1002 HZ2 LYS 132 HZ2 LYS 132 0.712 19.025 3.443 1003 HZ3 LYS 132 HZ3 LYS 132 -0.553 19.836 4.220 1004 H SER 133 H SER 133 1.301 15.100 -2.827 1005 HA SER 133 HA SER 133 0.791 17.252 -4.665 1006 HB2 SER 133 HB2 SER 133 2.754 14.985 -4.550 1007 HB3 SER 133 3HB SER 133 2.556 15.903 -6.042 1008 HG SER 133 HG SER 133 4.061 17.041 -5.008 1009 H ALA 134 H ALA 134 0.054 13.840 -4.463 1010 HA ALA 134 HA ALA 134 -0.812 13.581 -7.182 1011 HB1 ALA 134 HB1 ALA 134 -1.797 11.699 -5.113 1012 HB2 ALA 134 HB2 ALA 134 -1.140 11.379 -6.719 1013 HB3 ALA 134 HB3 ALA 134 -0.056 11.775 -5.386 1014 H LEU 135 H LEU 135 -2.422 14.069 -4.065 1015 HA LEU 135 HA LEU 135 -5.065 13.814 -4.871 1016 HB2 LEU 135 HB2 LEU 135 -4.685 13.976 -2.574 1017 HB3 LEU 135 3HB LEU 135 -3.727 15.446 -2.744 1018 HG LEU 135 HG LEU 135 -6.522 15.738 -3.573 1019 HD11 LEU 135 HD11 LEU 135 -5.961 15.385 -0.641 1020 HD12 LEU 135 HD12 LEU 135 -6.650 14.112 -1.649 1021 HD13 LEU 135 HD13 LEU 135 -7.517 15.633 -1.433 1022 HD21 LEU 135 HD21 LEU 135 -4.383 17.332 -2.713 1023 HD22 LEU 135 HD22 LEU 135 -5.616 17.454 -1.457 1024 HD23 LEU 135 HD23 LEU 135 -6.016 17.853 -3.128 1025 H GLY 136 H GLY 136 -3.297 16.897 -4.482 1026 HA2 GLY 136 HA1 GLY 136 -3.502 18.230 -6.704 1027 HA3 GLY 136 HA2 GLY 136 -5.215 18.139 -6.328 1028 H ILE 137 H ILE 137 -2.137 19.076 -4.797 1029 HA ILE 137 HA ILE 137 -3.588 21.238 -3.425 1030 HB ILE 137 HB ILE 137 -0.901 20.060 -2.709 1031 HG12 ILE 137 HG12 ILE 137 -2.785 18.482 -2.366 1032 HG13 ILE 137 HG13 ILE 137 -2.037 18.979 -0.851 1033 HG21 ILE 137 HG21 ILE 137 -2.634 22.152 -1.421 1034 HG22 ILE 137 HG22 ILE 137 -1.357 21.304 -0.550 1035 HG23 ILE 137 HG23 ILE 137 -0.959 22.294 -1.954 1036 HD11 ILE 137 HD11 ILE 137 -3.862 20.602 -0.527 1037 HD12 ILE 137 HD12 ILE 137 -4.627 19.992 -1.994 1038 HD13 ILE 137 HD13 ILE 137 -4.422 18.932 -0.601 1039 H ARG 138 H ARG 138 -2.792 23.337 -3.463 1040 HA ARG 138 HA ARG 138 -0.997 23.907 -5.703 1041 HB2 ARG 138 HB2 ARG 138 -3.213 25.332 -4.370 1042 HB3 ARG 138 HB3 ARG 138 -1.870 26.345 -4.885 1043 HG2 ARG 138 HG2 ARG 138 -2.164 25.024 -7.138 1044 HG3 ARG 138 HG3 ARG 138 -3.794 24.768 -6.512 1045 HD2 ARG 138 HD2 ARG 138 -4.329 26.782 -7.285 1046 HD3 ARG 138 HD3 ARG 138 -3.250 27.471 -6.071 1047 HE ARG 138 HE ARG 138 -1.774 26.686 -8.346 1048 HH11 ARG 138 HH11 ARG 138 -4.021 29.113 -7.260 1049 HH12 ARG 138 HH12 ARG 138 -3.441 30.326 -8.353 1050 HH21 ARG 138 HH21 ARG 138 -1.002 28.274 -9.790 1051 HH22 ARG 138 HH22 ARG 138 -1.724 29.847 -9.793 1052 H ASP 139 H ASP 139 0.235 26.129 -5.255 1053 HA ASP 139 HA ASP 139 1.975 27.152 -4.207 1054 HB2 ASP 139 HB2 ASP 139 0.052 27.059 -2.324 1055 HB3 ASP 139 3HB ASP 139 1.285 26.087 -1.526 1056 H LEU 140 H LEU 140 4.027 26.737 -3.119 1057 HA LEU 140 HA LEU 140 4.684 23.865 -3.030 1058 HB2 LEU 140 HB2 LEU 140 5.683 25.827 -4.767 1059 HB3 LEU 140 3HB LEU 140 6.969 25.518 -3.602 1060 HG LEU 140 HG LEU 140 5.635 23.245 -5.025 1061 HD11 LEU 140 HD11 LEU 140 7.656 25.160 -6.118 1062 HD12 LEU 140 HD12 LEU 140 6.239 24.460 -6.900 1063 HD13 LEU 140 HD13 LEU 140 7.666 23.466 -6.610 1064 HD21 LEU 140 HD21 LEU 140 8.106 23.720 -3.454 1065 HD22 LEU 140 HD22 LEU 140 8.186 22.553 -4.773 1066 HD23 LEU 140 HD23 LEU 140 7.020 22.331 -3.468 1067 H GLU 141 H GLU 141 6.617 23.355 -1.712 1068 HA GLU 141 HA GLU 141 7.563 25.231 0.217 1069 HB2 GLU 141 HB2 GLU 141 5.170 23.758 0.843 1070 HB3 GLU 141 HB3 GLU 141 6.468 23.278 1.927 1071 HG2 GLU 141 HG2 GLU 141 6.640 26.043 1.835 1072 HG3 GLU 141 HG3 GLU 141 4.910 25.709 1.868 1073 H HIS 142 H HIS 142 8.612 23.783 2.139 1074 HA HIS 142 HA HIS 142 9.585 21.226 1.468 1075 HB2 HIS 142 HB2 HIS 142 10.764 22.750 -0.237 1076 HB3 HIS 142 3HB HIS 142 11.694 23.350 1.132 1077 HD1 HIS 142 HD1 HIS 142 13.941 22.344 0.768 1078 HD2 HIS 142 HD2 HIS 142 10.888 19.559 0.346 1079 HE1 HIS 142 HE1 HIS 142 15.089 20.124 0.488 1080 H HIS 143 H HIS 143 11.292 20.491 2.962 1081 HA HIS 143 HA HIS 143 12.195 22.051 5.124 1082 HB2 HIS 143 HB2 HIS 143 9.566 21.601 5.458 1083 HB3 HIS 143 3HB HIS 143 10.199 20.127 6.185 1084 HD1 HIS 143 HD1 HIS 143 9.837 23.765 6.757 1085 HD2 HIS 143 HD2 HIS 143 11.760 20.537 8.529 1086 HE1 HIS 143 HE1 HIS 143 10.523 24.563 9.041 1087 H HIS 144 H HIS 144 13.226 20.712 6.831 1088 HA HIS 144 HA HIS 144 13.560 17.909 6.429 1089 HB2 HIS 144 HB2 HIS 144 15.345 19.721 5.026 1090 HB3 HIS 144 3HB HIS 144 16.227 18.675 6.134 1091 HD1 HIS 144 HD1 HIS 144 15.951 16.062 5.728 1092 HD2 HIS 144 HD2 HIS 144 14.476 18.516 2.718 1093 HE1 HIS 144 HE1 HIS 144 15.649 14.566 3.729 1094 H HIS 145 H HIS 145 15.624 17.184 7.769 1095 HA HIS 145 HA HIS 145 16.446 18.827 9.925 1096 HB2 HIS 145 HB2 HIS 145 13.940 17.389 10.248 1097 HB3 HIS 145 3HB HIS 145 15.128 16.909 11.457 1098 HD1 HIS 145 HD1 HIS 145 12.444 19.039 11.309 1099 HD2 HIS 145 HD2 HIS 145 16.416 19.663 12.355 1100 HE1 HIS 145 HE1 HIS 145 12.448 21.117 12.724 1101 H HIS 146 H HIS 146 17.476 17.402 11.713 1102 HA HIS 146 HA HIS 146 18.530 14.908 10.582 1103 HB2 HIS 146 HB2 HIS 146 20.152 17.235 11.612 1104 HB3 HIS 146 3HB HIS 146 20.811 15.607 11.479 1105 HD1 HIS 146 HD1 HIS 146 21.883 15.075 9.313 1106 HD2 HIS 146 HD2 HIS 146 19.185 18.216 8.976 1107 HE1 HIS 146 HE1 HIS 146 22.092 15.888 6.942 1108 H HIS 147 H HIS 147 19.674 13.581 12.224 1109 HA HIS 147 HA HIS 147 19.529 14.073 14.975 1110 HB2 HIS 147 HB2 HIS 147 17.009 13.569 13.955 1111 HB3 HIS 147 3HB HIS 147 17.515 11.995 14.564 1112 HD1 HIS 147 HD1 HIS 147 16.469 15.379 15.663 1113 HD2 HIS 147 HD2 HIS 147 17.912 11.878 17.370 1114 HE1 HIS 147 HE1 HIS 147 16.070 15.623 18.133 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -10.759 4.293 -18.596 2 HA MET 1 HA MET 1 -9.269 2.322 -17.226 3 HB2 MET 1 HB2 MET 1 -9.643 3.136 -20.058 4 HB3 MET 1 HB3 MET 1 -8.218 2.174 -19.687 5 HG2 MET 1 HG2 MET 1 -9.450 0.345 -19.732 6 HG3 MET 1 HG3 MET 1 -10.407 0.960 -18.387 7 HE1 MET 1 HE1 MET 1 -10.179 -0.414 -21.455 8 HE2 MET 1 HE2 MET 1 -11.900 -0.650 -21.761 9 HE3 MET 1 HE3 MET 1 -10.998 0.559 -22.678 10 H ASP 2 H ASP 2 -7.052 2.047 -16.979 11 HA ASP 2 HA ASP 2 -4.899 2.662 -16.576 12 HB2 ASP 2 HB2 ASP 2 -5.484 3.622 -19.137 13 HB3 ASP 2 3HB ASP 2 -4.711 4.974 -18.314 14 H ASP 3 H ASP 3 -3.571 5.017 -16.399 15 HA ASP 3 HA ASP 3 -5.205 6.902 -14.899 16 HB2 ASP 3 HB2 ASP 3 -3.978 6.755 -12.870 17 HB3 ASP 3 3HB ASP 3 -4.400 5.100 -13.303 18 H ARG 4 H ARG 4 -3.260 8.435 -13.763 19 HA ARG 4 HA ARG 4 -1.249 9.031 -15.774 20 HB2 ARG 4 HB2 ARG 4 -1.949 11.243 -16.228 21 HB3 ARG 4 HB3 ARG 4 -3.389 10.249 -16.399 22 HG2 ARG 4 HG2 ARG 4 -4.086 10.911 -14.132 23 HG3 ARG 4 HG3 ARG 4 -2.669 11.958 -14.027 24 HD2 ARG 4 HD2 ARG 4 -4.999 12.191 -15.921 25 HD3 ARG 4 HD3 ARG 4 -4.532 13.315 -14.646 26 HE ARG 4 HE ARG 4 -2.361 13.289 -16.244 27 HH11 ARG 4 HH11 ARG 4 -5.756 13.745 -16.864 28 HH12 ARG 4 HH12 ARG 4 -5.502 14.787 -18.224 29 HH21 ARG 4 HH21 ARG 4 -2.012 14.660 -18.034 30 HH22 ARG 4 HH22 ARG 4 -3.372 15.306 -18.890 31 H THR 5 H THR 5 -1.625 8.298 -12.821 32 HA THR 5 HA THR 5 -0.489 10.555 -11.423 33 HB THR 5 HB THR 5 -0.285 8.828 -9.531 34 HG1 THR 5 HG1 THR 5 -0.462 6.902 -10.589 35 HG21 THR 5 HG21 THR 5 -3.055 9.311 -10.626 36 HG22 THR 5 HG22 THR 5 -2.102 10.529 -9.779 37 HG23 THR 5 HG23 THR 5 -2.599 9.059 -8.942 38 H GLU 6 H GLU 6 1.580 10.680 -10.537 39 HA GLU 6 HA GLU 6 3.518 8.630 -11.312 40 HB2 GLU 6 HB2 GLU 6 3.628 11.536 -12.084 41 HB3 GLU 6 HB3 GLU 6 5.089 10.563 -11.964 42 HG2 GLU 6 HG2 GLU 6 4.544 9.269 -13.780 43 HG3 GLU 6 HG3 GLU 6 2.817 9.580 -13.619 44 H TYR 7 H TYR 7 2.250 9.614 -8.799 45 HA TYR 7 HA TYR 7 4.734 10.257 -7.353 46 HB2 TYR 7 HB2 TYR 7 2.272 11.116 -6.023 47 HB3 TYR 7 3HB TYR 7 3.783 11.986 -6.267 48 HD1 TYR 7 HD1 TYR 7 0.506 11.188 -7.746 49 HD2 TYR 7 HD2 TYR 7 4.059 13.502 -8.103 50 HE1 TYR 7 HE1 TYR 7 -0.579 12.577 -9.461 51 HE2 TYR 7 HE2 TYR 7 2.983 14.899 -9.819 52 HH TYR 7 HH TYR 7 1.199 15.119 -11.162 53 H ASP 8 H ASP 8 4.544 9.697 -4.972 54 HA ASP 8 HA ASP 8 4.195 6.983 -4.626 55 HB2 ASP 8 HB2 ASP 8 5.329 8.778 -3.101 56 HB3 ASP 8 3HB ASP 8 3.750 8.854 -2.324 57 H VAL 9 H VAL 9 2.627 5.743 -3.459 58 HA VAL 9 HA VAL 9 -0.091 6.645 -3.994 59 HB VAL 9 HB VAL 9 1.032 3.962 -3.194 60 HG11 VAL 9 HG11 VAL 9 -1.775 4.949 -3.252 61 HG12 VAL 9 HG12 VAL 9 -1.447 3.300 -3.785 62 HG13 VAL 9 HG13 VAL 9 -1.003 3.806 -2.155 63 HG21 VAL 9 HG21 VAL 9 0.060 3.328 -5.427 64 HG22 VAL 9 HG22 VAL 9 -0.203 5.048 -5.718 65 HG23 VAL 9 HG23 VAL 9 1.434 4.432 -5.489 66 H TYR 10 H TYR 10 -1.698 6.826 -2.455 67 HA TYR 10 HA TYR 10 -0.869 7.617 0.147 68 HB2 TYR 10 HB2 TYR 10 -2.785 8.672 -0.907 69 HB3 TYR 10 3HB TYR 10 -3.629 7.130 -0.991 70 HD1 TYR 10 HD1 TYR 10 -1.780 8.852 1.766 71 HD2 TYR 10 HD2 TYR 10 -5.457 7.186 0.420 72 HE1 TYR 10 HE1 TYR 10 -2.777 9.286 3.972 73 HE2 TYR 10 HE2 TYR 10 -6.464 7.617 2.622 74 HH TYR 10 HH TYR 10 -5.311 7.896 5.150 75 H THR 11 H THR 11 0.212 5.664 0.839 76 HA THR 11 HA THR 11 -1.614 3.502 1.645 77 HB THR 11 HB THR 11 0.400 2.105 1.920 78 HG1 THR 11 HG1 THR 11 2.340 3.139 0.810 79 HG21 THR 11 HG21 THR 11 0.511 1.543 -0.287 80 HG22 THR 11 HG22 THR 11 0.730 3.211 -0.814 81 HG23 THR 11 HG23 THR 11 -0.874 2.633 -0.364 82 H ASP 12 H ASP 12 -0.560 2.319 3.689 83 HA ASP 12 HA ASP 12 -0.610 2.474 5.981 84 HB2 ASP 12 HB2 ASP 12 1.377 3.797 6.852 85 HB3 ASP 12 3HB ASP 12 1.743 2.543 5.671 86 H GLY 13 H GLY 13 -2.714 3.561 5.969 87 HA2 GLY 13 HA1 GLY 13 -2.806 6.427 6.216 88 HA3 GLY 13 HA2 GLY 13 -4.148 5.315 6.438 89 H SER 14 H SER 14 -4.896 6.322 8.298 90 HA SER 14 HA SER 14 -3.087 6.354 10.610 91 HB2 SER 14 HB2 SER 14 -5.836 7.503 10.758 92 HB3 SER 14 3HB SER 14 -4.339 8.068 11.501 93 HG SER 14 HG SER 14 -5.468 8.945 9.288 94 H TYR 15 H TYR 15 -4.820 6.202 12.691 95 HA TYR 15 HA TYR 15 -6.276 3.676 12.361 96 HB2 TYR 15 HB2 TYR 15 -5.325 2.971 14.614 97 HB3 TYR 15 3HB TYR 15 -4.215 2.917 13.249 98 HD1 TYR 15 HD1 TYR 15 -2.466 4.665 13.012 99 HD2 TYR 15 HD2 TYR 15 -4.941 4.424 16.464 100 HE1 TYR 15 HE1 TYR 15 -0.882 6.092 14.239 101 HE2 TYR 15 HE2 TYR 15 -3.364 5.851 17.700 102 HH TYR 15 HH TYR 15 -1.124 6.588 17.656 103 H VAL 16 H VAL 16 -7.278 3.206 14.741 104 HA VAL 16 HA VAL 16 -8.368 5.695 15.831 105 HB VAL 16 HB VAL 16 -10.020 5.080 14.196 106 HG11 VAL 16 HG11 VAL 16 -10.306 2.393 15.516 107 HG12 VAL 16 HG12 VAL 16 -11.011 2.946 13.995 108 HG13 VAL 16 HG13 VAL 16 -9.274 2.659 14.110 109 HG21 VAL 16 HG21 VAL 16 -11.102 4.125 16.834 110 HG22 VAL 16 HG22 VAL 16 -10.712 5.818 16.524 111 HG23 VAL 16 HG23 VAL 16 -11.944 5.006 15.560 112 H ASN 17 H ASN 17 -7.978 5.619 17.937 113 HA ASN 17 HA ASN 17 -7.947 4.905 20.101 114 HB2 ASN 17 HB2 ASN 17 -10.170 3.827 19.363 115 HB3 ASN 17 3HB ASN 17 -9.254 2.328 19.256 116 HD21 ASN 17 HD21 ASN 17 -11.308 3.865 21.148 117 HD22 ASN 17 HD22 ASN 17 -10.777 3.347 22.709 118 H GLY 18 H GLY 18 -7.671 1.817 18.336 119 HA2 GLY 18 HA1 GLY 18 -4.838 1.657 18.757 120 HA3 GLY 18 HA2 GLY 18 -5.737 0.632 19.868 121 H GLN 19 H GLN 19 -6.977 1.231 16.683 122 HA GLN 19 HA GLN 19 -6.456 -1.579 16.012 123 HB2 GLN 19 HB2 GLN 19 -8.774 0.001 15.855 124 HB3 GLN 19 HB3 GLN 19 -8.258 -0.250 14.193 125 HG2 GLN 19 HG2 GLN 19 -8.011 -2.753 15.265 126 HG3 GLN 19 HG3 GLN 19 -9.428 -2.117 16.099 127 HE21 GLN 19 HE21 GLN 19 -11.274 -1.633 14.930 128 HE22 GLN 19 HE22 GLN 19 -11.516 -2.184 13.311 129 H TYR 20 H TYR 20 -6.626 -1.709 13.377 130 HA TYR 20 HA TYR 20 -4.601 0.165 12.347 131 HB2 TYR 20 HB2 TYR 20 -3.439 -1.589 11.258 132 HB3 TYR 20 3HB TYR 20 -3.741 -2.169 12.892 133 HD1 TYR 20 HD1 TYR 20 -5.777 -3.701 13.236 134 HD2 TYR 20 HD2 TYR 20 -4.108 -2.857 9.414 135 HE1 TYR 20 HE1 TYR 20 -6.856 -5.715 12.325 136 HE2 TYR 20 HE2 TYR 20 -5.185 -4.867 8.493 137 HH TYR 20 HH TYR 20 -6.068 -7.008 9.282 138 H ALA 21 H ALA 21 -4.972 1.023 10.379 139 HA ALA 21 HA ALA 21 -7.163 -0.093 8.764 140 HB1 ALA 21 HB1 ALA 21 -7.444 2.198 10.216 141 HB2 ALA 21 HB2 ALA 21 -6.931 2.821 8.648 142 HB3 ALA 21 HB3 ALA 21 -8.363 1.798 8.765 143 H TRP 22 H TRP 22 -6.583 -0.468 6.732 144 HA TRP 22 HA TRP 22 -4.188 0.892 5.692 145 HB2 TRP 22 HB2 TRP 22 -3.823 -1.030 4.271 146 HB3 TRP 22 3HB TRP 22 -4.036 -1.584 5.930 147 HD1 TRP 22 HD1 TRP 22 -5.544 -1.860 2.477 148 HE1 TRP 22 HE1 TRP 22 -7.484 -3.551 2.527 149 HE3 TRP 22 HE3 TRP 22 -5.934 -2.497 7.535 150 HZ2 TRP 22 HZ2 TRP 22 -8.981 -4.967 4.456 151 HZ3 TRP 22 HZ3 TRP 22 -7.646 -4.037 8.400 152 HH2 TRP 22 HH2 TRP 22 -9.138 -5.245 6.891 153 H ALA 23 H ALA 23 -4.351 2.144 3.936 154 HA ALA 23 HA ALA 23 -6.731 1.898 2.232 155 HB1 ALA 23 HB1 ALA 23 -6.836 3.777 4.019 156 HB2 ALA 23 HB2 ALA 23 -5.710 4.615 2.950 157 HB3 ALA 23 HB3 ALA 23 -7.299 4.136 2.355 158 H TYR 24 H TYR 24 -6.477 3.067 0.147 159 HA TYR 24 HA TYR 24 -3.702 3.494 -0.667 160 HB2 TYR 24 HB2 TYR 24 -4.410 2.153 -2.825 161 HB3 TYR 24 3HB TYR 24 -3.783 1.315 -1.410 162 HD1 TYR 24 HD1 TYR 24 -7.168 2.685 -2.210 163 HD2 TYR 24 HD2 TYR 24 -4.832 -0.738 -1.246 164 HE1 TYR 24 HE1 TYR 24 -9.213 1.322 -2.120 165 HE2 TYR 24 HE2 TYR 24 -6.870 -2.110 -1.154 166 HH TYR 24 HH TYR 24 -9.216 -1.908 -0.895 167 H ALA 25 H ALA 25 -3.606 4.379 -2.945 168 HA ALA 25 HA ALA 25 -5.815 6.289 -3.298 169 HB1 ALA 25 HB1 ALA 25 -3.823 7.480 -2.950 170 HB2 ALA 25 HB2 ALA 25 -2.902 6.418 -4.015 171 HB3 ALA 25 HB3 ALA 25 -4.085 7.535 -4.693 172 H PHE 26 H PHE 26 -7.239 5.586 -4.755 173 HA PHE 26 HA PHE 26 -6.255 4.185 -7.142 174 HB2 PHE 26 HB2 PHE 26 -8.848 4.159 -5.653 175 HB3 PHE 26 3HB PHE 26 -8.850 3.775 -7.371 176 HD1 PHE 26 HD1 PHE 26 -6.279 2.954 -4.825 177 HD2 PHE 26 HD2 PHE 26 -9.322 1.499 -7.422 178 HE1 PHE 26 HE1 PHE 26 -5.614 0.642 -4.303 179 HE2 PHE 26 HE2 PHE 26 -8.662 -0.814 -6.905 180 HZ PHE 26 HZ PHE 26 -6.807 -1.245 -5.343 181 H VAL 27 H VAL 27 -6.648 4.936 -9.177 182 HA VAL 27 HA VAL 27 -8.391 7.215 -9.598 183 HB VAL 27 HB VAL 27 -5.407 7.393 -9.854 184 HG11 VAL 27 HG11 VAL 27 -5.786 8.141 -11.966 185 HG12 VAL 27 HG12 VAL 27 -7.454 8.602 -11.624 186 HG13 VAL 27 HG13 VAL 27 -6.127 9.637 -11.096 187 HG21 VAL 27 HG21 VAL 27 -6.298 8.299 -7.838 188 HG22 VAL 27 HG22 VAL 27 -5.874 9.657 -8.879 189 HG23 VAL 27 HG23 VAL 27 -7.560 9.166 -8.713 190 H LYS 28 H LYS 28 -9.304 7.157 -11.564 191 HA LYS 28 HA LYS 28 -8.100 5.384 -13.588 192 HB2 LYS 28 HB2 LYS 28 -10.945 5.659 -12.682 193 HB3 LYS 28 HB3 LYS 28 -10.598 5.150 -14.330 194 HG2 LYS 28 HG2 LYS 28 -9.068 3.682 -12.335 195 HG3 LYS 28 HG3 LYS 28 -10.814 3.507 -12.149 196 HD2 LYS 28 HD2 LYS 28 -9.629 3.245 -14.870 197 HD3 LYS 28 HD3 LYS 28 -9.443 1.909 -13.733 198 HE2 LYS 28 HE2 LYS 28 -11.852 1.791 -13.445 199 HE3 LYS 28 HE3 LYS 28 -12.066 3.176 -14.516 200 HZ1 LYS 28 HZ1 LYS 28 -10.552 1.325 -15.911 201 HZ2 LYS 28 HZ2 LYS 28 -12.163 1.756 -16.193 202 HZ3 LYS 28 HZ3 LYS 28 -11.802 0.445 -15.186 203 H ASP 29 H ASP 29 -7.605 6.350 -15.439 204 HA ASP 29 HA ASP 29 -7.553 7.830 -17.167 205 HB2 ASP 29 HB2 ASP 29 -10.236 7.422 -16.691 206 HB3 ASP 29 3HB ASP 29 -10.094 9.176 -16.612 207 H GLY 30 H GLY 30 -7.074 8.574 -14.179 208 HA2 GLY 30 HA1 GLY 30 -5.863 10.414 -13.379 209 HA3 GLY 30 HA2 GLY 30 -6.396 11.343 -14.772 210 H LYS 31 H LYS 31 -8.653 9.557 -12.809 211 HA LYS 31 HA LYS 31 -9.518 12.049 -11.511 212 HB2 LYS 31 HB2 LYS 31 -11.758 11.770 -12.114 213 HB3 LYS 31 HB3 LYS 31 -10.888 11.369 -13.589 214 HG2 LYS 31 HG2 LYS 31 -11.069 8.933 -12.412 215 HG3 LYS 31 HG3 LYS 31 -12.567 9.693 -11.869 216 HD2 LYS 31 HD2 LYS 31 -11.686 9.673 -14.748 217 HD3 LYS 31 HD3 LYS 31 -12.698 8.410 -14.045 218 HE2 LYS 31 HE2 LYS 31 -13.972 10.704 -13.254 219 HE3 LYS 31 HE3 LYS 31 -13.376 11.136 -14.856 220 HZ1 LYS 31 HZ1 LYS 31 -15.669 9.871 -14.448 221 HZ2 LYS 31 HZ2 LYS 31 -14.648 8.533 -14.620 222 HZ3 LYS 31 HZ3 LYS 31 -14.752 9.681 -15.858 223 H VAL 32 H VAL 32 -11.456 11.345 -9.924 224 HA VAL 32 HA VAL 32 -10.222 9.437 -8.109 225 HB VAL 32 HB VAL 32 -12.633 11.217 -7.716 226 HG11 VAL 32 HG11 VAL 32 -11.750 10.633 -5.232 227 HG12 VAL 32 HG12 VAL 32 -13.036 9.747 -6.055 228 HG13 VAL 32 HG13 VAL 32 -11.386 9.122 -6.065 229 HG21 VAL 32 HG21 VAL 32 -10.595 12.048 -6.038 230 HG22 VAL 32 HG22 VAL 32 -9.776 11.697 -7.559 231 HG23 VAL 32 HG23 VAL 32 -11.116 12.841 -7.523 232 H HIS 33 H HIS 33 -10.657 7.386 -8.751 233 HA HIS 33 HA HIS 33 -13.322 6.629 -9.602 234 HB2 HIS 33 HB2 HIS 33 -11.153 5.713 -10.589 235 HB3 HIS 33 3HB HIS 33 -10.996 4.774 -9.108 236 HD1 HIS 33 HD1 HIS 33 -11.521 2.448 -9.794 237 HD2 HIS 33 HD2 HIS 33 -14.241 5.181 -11.341 238 HE1 HIS 33 HE1 HIS 33 -13.285 1.068 -10.936 239 H TYR 34 H TYR 34 -11.086 5.565 -7.033 240 HA TYR 34 HA TYR 34 -13.433 5.016 -5.347 241 HB2 TYR 34 HB2 TYR 34 -11.007 3.249 -5.709 242 HB3 TYR 34 3HB TYR 34 -12.206 3.028 -4.440 243 HD1 TYR 34 HD1 TYR 34 -14.698 3.598 -5.969 244 HD2 TYR 34 HD2 TYR 34 -11.259 1.321 -7.014 245 HE1 TYR 34 HE1 TYR 34 -16.068 2.240 -7.496 246 HE2 TYR 34 HE2 TYR 34 -12.619 -0.041 -8.545 247 HH TYR 34 HH TYR 34 -15.404 -0.580 -8.546 248 H GLU 35 H GLU 35 -13.167 5.353 -3.136 249 HA GLU 35 HA GLU 35 -10.617 6.169 -2.068 250 HB2 GLU 35 HB2 GLU 35 -11.522 8.395 -1.294 251 HB3 GLU 35 HB3 GLU 35 -11.184 8.273 -3.016 252 HG2 GLU 35 HG2 GLU 35 -13.412 8.280 -3.595 253 HG3 GLU 35 HG3 GLU 35 -13.934 7.713 -2.008 254 H ASP 36 H ASP 36 -11.741 4.058 -1.153 255 HA ASP 36 HA ASP 36 -12.886 4.857 1.421 256 HB2 ASP 36 HB2 ASP 36 -14.514 3.843 -0.511 257 HB3 ASP 36 3HB ASP 36 -14.010 2.366 0.308 258 H ALA 37 H ALA 37 -11.219 4.297 2.697 259 HA ALA 37 HA ALA 37 -9.460 2.150 2.262 260 HB1 ALA 37 HB1 ALA 37 -8.603 2.586 4.445 261 HB2 ALA 37 HB2 ALA 37 -9.029 4.137 3.717 262 HB3 ALA 37 HB3 ALA 37 -10.088 3.410 4.926 263 H ASP 38 H ASP 38 -9.246 0.694 4.535 264 HA ASP 38 HA ASP 38 -11.803 -0.536 5.146 265 HB2 ASP 38 HB2 ASP 38 -9.586 -2.099 3.804 266 HB3 ASP 38 3HB ASP 38 -11.060 -2.791 4.474 267 H VAL 39 H VAL 39 -11.847 -1.242 7.187 268 HA VAL 39 HA VAL 39 -9.304 -1.331 8.656 269 HB VAL 39 HB VAL 39 -12.075 -1.182 9.839 270 HG11 VAL 39 HG11 VAL 39 -9.298 -1.036 10.911 271 HG12 VAL 39 HG12 VAL 39 -10.575 -0.112 11.704 272 HG13 VAL 39 HG13 VAL 39 -10.714 -1.865 11.558 273 HG21 VAL 39 HG21 VAL 39 -11.686 0.766 8.416 274 HG22 VAL 39 HG22 VAL 39 -11.696 1.214 10.122 275 HG23 VAL 39 HG23 VAL 39 -10.166 1.079 9.254 276 H GLY 40 H GLY 40 -8.972 -2.990 10.252 277 HA2 GLY 40 HA1 GLY 40 -10.311 -5.510 9.503 278 HA3 GLY 40 HA2 GLY 40 -8.672 -5.394 10.129 279 H LYS 41 H LYS 41 -9.122 -6.890 11.773 280 HA LYS 41 HA LYS 41 -9.881 -5.806 14.234 281 HB2 LYS 41 HB2 LYS 41 -11.974 -7.172 14.609 282 HB3 LYS 41 HB3 LYS 41 -12.151 -5.797 13.528 283 HG2 LYS 41 HG2 LYS 41 -11.475 -8.349 12.229 284 HG3 LYS 41 HG3 LYS 41 -13.065 -8.271 12.991 285 HD2 LYS 41 HD2 LYS 41 -12.708 -5.844 11.600 286 HD3 LYS 41 HD3 LYS 41 -12.193 -7.135 10.513 287 HE2 LYS 41 HE2 LYS 41 -14.718 -7.533 12.016 288 HE3 LYS 41 HE3 LYS 41 -14.730 -6.352 10.708 289 HZ1 LYS 41 HZ1 LYS 41 -13.484 -8.443 9.571 290 HZ2 LYS 41 HZ2 LYS 41 -15.140 -8.127 9.435 291 HZ3 LYS 41 HZ3 LYS 41 -14.582 -9.232 10.588 292 H ASN 42 H ASN 42 -7.734 -7.268 13.407 293 HA ASN 42 HA ASN 42 -8.124 -9.841 14.789 294 HB2 ASN 42 HB2 ASN 42 -6.105 -9.276 12.608 295 HB3 ASN 42 3HB ASN 42 -6.425 -10.830 13.374 296 HD21 ASN 42 HD21 ASN 42 -7.038 -8.953 10.732 297 HD22 ASN 42 HD22 ASN 42 -8.462 -9.740 10.151 298 HA PRO 43 HA PRO 43 -5.044 -8.632 17.676 299 HB2 PRO 43 HB2 PRO 43 -3.936 -11.034 18.284 300 HB3 PRO 43 HB3 PRO 43 -5.547 -10.554 18.830 301 HG2 PRO 43 HG2 PRO 43 -4.770 -12.297 16.524 302 HG3 PRO 43 HG3 PRO 43 -6.070 -12.523 17.710 303 HD2 PRO 43 HD2 PRO 43 -6.520 -11.561 15.219 304 HD3 PRO 43 HD3 PRO 43 -7.484 -11.062 16.625 305 H ALA 44 H ALA 44 -3.831 -11.057 15.354 306 HA ALA 44 HA ALA 44 -1.118 -10.440 15.586 307 HB1 ALA 44 HB1 ALA 44 -2.637 -11.549 13.229 308 HB2 ALA 44 HB2 ALA 44 -0.878 -11.529 13.376 309 HB3 ALA 44 HB3 ALA 44 -1.847 -12.469 14.511 310 H ALA 45 H ALA 45 -3.659 -8.947 13.690 311 HA ALA 45 HA ALA 45 -1.799 -7.274 12.223 312 HB1 ALA 45 HB1 ALA 45 -3.758 -6.369 11.128 313 HB2 ALA 45 HB2 ALA 45 -3.840 -8.130 11.146 314 HB3 ALA 45 HB3 ALA 45 -4.813 -7.191 12.278 315 H ALA 46 H ALA 46 -3.621 -7.143 15.134 316 HA ALA 46 HA ALA 46 -3.225 -4.233 15.329 317 HB1 ALA 46 HB1 ALA 46 -5.520 -4.865 15.642 318 HB2 ALA 46 HB2 ALA 46 -5.070 -6.064 16.855 319 HB3 ALA 46 HB3 ALA 46 -4.862 -4.346 17.194 320 H THR 47 H THR 47 -1.286 -6.537 15.828 321 HA THR 47 HA THR 47 -0.473 -5.676 18.526 322 HB THR 47 HB THR 47 -1.326 -8.036 18.487 323 HG1 THR 47 HG1 THR 47 0.687 -8.846 19.527 324 HG21 THR 47 HG21 THR 47 -0.040 -9.765 17.436 325 HG22 THR 47 HG22 THR 47 1.186 -8.608 16.918 326 HG23 THR 47 HG23 THR 47 -0.428 -8.560 16.210 327 H MET 48 H MET 48 0.267 -5.580 15.335 328 HA MET 48 HA MET 48 3.163 -5.793 15.712 329 HB2 MET 48 HB2 MET 48 1.495 -5.496 13.210 330 HB3 MET 48 HB3 MET 48 3.252 -5.563 13.228 331 HG2 MET 48 HG2 MET 48 1.522 -7.749 14.344 332 HG3 MET 48 HG3 MET 48 2.056 -7.703 12.665 333 HE1 MET 48 HE1 MET 48 4.036 -10.412 14.950 334 HE2 MET 48 HE2 MET 48 3.008 -9.427 15.990 335 HE3 MET 48 HE3 MET 48 2.387 -10.027 14.452 336 H ARG 49 H ARG 49 1.746 -3.623 16.925 337 HA ARG 49 HA ARG 49 1.848 -1.364 17.185 338 HB2 ARG 49 HB2 ARG 49 4.234 -1.391 15.349 339 HB3 ARG 49 HB3 ARG 49 3.907 -0.312 16.700 340 HG2 ARG 49 HG2 ARG 49 3.993 -2.573 18.063 341 HG3 ARG 49 HG3 ARG 49 4.985 -3.074 16.693 342 HD2 ARG 49 HD2 ARG 49 6.693 -1.716 17.267 343 HD3 ARG 49 HD3 ARG 49 5.620 -0.430 17.819 344 HE ARG 49 HE ARG 49 5.470 -2.554 19.636 345 HH11 ARG 49 HH11 ARG 49 7.739 -0.154 18.533 346 HH12 ARG 49 HH12 ARG 49 8.593 -0.081 20.039 347 HH21 ARG 49 HH21 ARG 49 6.588 -2.467 21.623 348 HH22 ARG 49 HH22 ARG 49 7.938 -1.398 21.795 349 H ASN 50 H ASN 50 0.295 -2.440 14.969 350 HA ASN 50 HA ASN 50 -0.966 -1.665 13.242 351 HB2 ASN 50 HB2 ASN 50 -1.061 0.379 14.729 352 HB3 ASN 50 3HB ASN 50 0.257 1.046 13.769 353 HD21 ASN 50 HD21 ASN 50 -1.500 2.713 13.535 354 HD22 ASN 50 HD22 ASN 50 -2.565 2.535 12.185 355 H VAL 51 H VAL 51 2.073 -2.267 13.058 356 HA VAL 51 HA VAL 51 2.982 -0.815 10.773 357 HB VAL 51 HB VAL 51 3.978 -3.397 11.983 358 HG11 VAL 51 HG11 VAL 51 5.201 -1.652 9.849 359 HG12 VAL 51 HG12 VAL 51 6.031 -2.976 10.670 360 HG13 VAL 51 HG13 VAL 51 4.624 -3.308 9.659 361 HG21 VAL 51 HG21 VAL 51 5.215 -0.658 12.136 362 HG22 VAL 51 HG22 VAL 51 4.097 -1.275 13.354 363 HG23 VAL 51 HG23 VAL 51 5.631 -2.096 13.070 364 H ALA 52 H ALA 52 1.587 -4.035 11.273 365 HA ALA 52 HA ALA 52 1.839 -5.090 8.738 366 HB1 ALA 52 HB1 ALA 52 0.359 -6.697 9.390 367 HB2 ALA 52 HB2 ALA 52 0.760 -6.016 10.968 368 HB3 ALA 52 HB3 ALA 52 -0.731 -5.540 10.157 369 H GLY 53 H GLY 53 -0.343 -2.615 9.879 370 HA2 GLY 53 HA1 GLY 53 -2.157 -2.706 7.689 371 HA3 GLY 53 HA2 GLY 53 -1.961 -1.372 8.815 372 H GLU 54 H GLU 54 0.790 -0.861 8.318 373 HA GLU 54 HA GLU 54 0.653 0.987 6.267 374 HB2 GLU 54 HB2 GLU 54 2.454 1.382 7.630 375 HB3 GLU 54 HB3 GLU 54 2.872 -0.321 7.752 376 HG2 GLU 54 HG2 GLU 54 3.808 -0.277 5.513 377 HG3 GLU 54 HG3 GLU 54 3.347 1.415 5.341 378 H ILE 55 H ILE 55 2.227 -2.211 6.146 379 HA ILE 55 HA ILE 55 2.644 -2.062 3.317 380 HB ILE 55 HB ILE 55 2.894 -4.365 5.250 381 HG12 ILE 55 HG12 ILE 55 5.317 -3.511 3.942 382 HG13 ILE 55 HG13 ILE 55 4.537 -2.137 4.718 383 HG21 ILE 55 HG21 ILE 55 3.569 -4.226 2.317 384 HG22 ILE 55 HG22 ILE 55 4.122 -5.498 3.405 385 HG23 ILE 55 HG23 ILE 55 2.398 -5.291 3.094 386 HD11 ILE 55 HD11 ILE 55 5.867 -2.909 6.407 387 HD12 ILE 55 HD12 ILE 55 4.368 -3.773 6.749 388 HD13 ILE 55 HD13 ILE 55 5.692 -4.596 5.925 389 H ALA 56 H ALA 56 0.200 -3.406 5.423 390 HA ALA 56 HA ALA 56 -1.083 -5.238 3.854 391 HB1 ALA 56 HB1 ALA 56 -1.908 -4.917 6.027 392 HB2 ALA 56 HB2 ALA 56 -2.194 -3.198 5.756 393 HB3 ALA 56 HB3 ALA 56 -3.215 -4.396 4.963 394 H ALA 57 H ALA 57 -1.619 -1.716 3.805 395 HA ALA 57 HA ALA 57 -3.572 -1.616 1.839 396 HB1 ALA 57 HB1 ALA 57 -2.489 0.694 1.348 397 HB2 ALA 57 HB2 ALA 57 -3.226 0.393 2.922 398 HB3 ALA 57 HB3 ALA 57 -1.475 0.312 2.740 399 H ALA 58 H ALA 58 -0.037 -1.433 1.446 400 HA ALA 58 HA ALA 58 0.091 -1.098 -1.295 401 HB1 ALA 58 HB1 ALA 58 2.220 -1.014 -0.655 402 HB2 ALA 58 HB2 ALA 58 1.893 -1.955 0.802 403 HB3 ALA 58 HB3 ALA 58 2.220 -2.776 -0.723 404 H LEU 59 H LEU 59 -0.479 -4.024 0.563 405 HA LEU 59 HA LEU 59 -0.113 -5.900 -1.494 406 HB2 LEU 59 HB2 LEU 59 -2.130 -6.204 0.707 407 HB3 LEU 59 3HB LEU 59 -1.187 -7.456 -0.099 408 HG LEU 59 HG LEU 59 -0.343 -5.543 2.048 409 HD11 LEU 59 HD11 LEU 59 -1.012 -7.513 3.022 410 HD12 LEU 59 HD12 LEU 59 0.708 -7.819 2.779 411 HD13 LEU 59 HD13 LEU 59 -0.475 -8.497 1.661 412 HD21 LEU 59 HD21 LEU 59 1.353 -6.816 -0.055 413 HD22 LEU 59 HD22 LEU 59 1.984 -6.613 1.580 414 HD23 LEU 59 HD23 LEU 59 1.462 -5.204 0.653 415 H TYR 60 H TYR 60 -3.245 -4.846 -0.150 416 HA TYR 60 HA TYR 60 -4.796 -5.838 -2.252 417 HB2 TYR 60 HB2 TYR 60 -5.517 -3.446 -0.557 418 HB3 TYR 60 3HB TYR 60 -6.612 -4.586 -1.329 419 HD1 TYR 60 HD1 TYR 60 -6.813 -6.899 -0.437 420 HD2 TYR 60 HD2 TYR 60 -4.550 -3.908 1.572 421 HE1 TYR 60 HE1 TYR 60 -6.858 -8.253 1.615 422 HE2 TYR 60 HE2 TYR 60 -4.586 -5.255 3.630 423 HH TYR 60 HH TYR 60 -5.156 -8.341 3.797 424 H ALA 61 H ALA 61 -3.018 -2.867 -1.924 425 HA ALA 61 HA ALA 61 -4.291 -1.338 -3.908 426 HB1 ALA 61 HB1 ALA 61 -2.797 -0.282 -2.365 427 HB2 ALA 61 HB2 ALA 61 -1.448 -1.280 -2.911 428 HB3 ALA 61 HB3 ALA 61 -2.146 -0.074 -3.992 429 H VAL 62 H VAL 62 -1.642 -3.673 -4.083 430 HA VAL 62 HA VAL 62 -1.167 -3.247 -6.879 431 HB VAL 62 HB VAL 62 -0.286 -5.496 -5.065 432 HG11 VAL 62 HG11 VAL 62 -0.298 -6.215 -7.388 433 HG12 VAL 62 HG12 VAL 62 0.624 -4.783 -7.851 434 HG13 VAL 62 HG13 VAL 62 1.356 -6.009 -6.814 435 HG21 VAL 62 HG21 VAL 62 1.709 -4.344 -4.736 436 HG22 VAL 62 HG22 VAL 62 1.443 -3.288 -6.123 437 HG23 VAL 62 HG23 VAL 62 0.492 -3.071 -4.654 438 H LYS 63 H LYS 63 -2.803 -5.742 -4.957 439 HA LYS 63 HA LYS 63 -3.454 -7.541 -6.944 440 HB2 LYS 63 HB2 LYS 63 -5.130 -6.710 -4.568 441 HB3 LYS 63 HB3 LYS 63 -5.400 -8.155 -5.533 442 HG2 LYS 63 HG2 LYS 63 -3.193 -8.995 -4.880 443 HG3 LYS 63 HG3 LYS 63 -2.947 -7.553 -3.892 444 HD2 LYS 63 HD2 LYS 63 -3.993 -8.544 -2.200 445 HD3 LYS 63 HD3 LYS 63 -5.455 -8.669 -3.181 446 HE2 LYS 63 HE2 LYS 63 -4.180 -10.734 -4.207 447 HE3 LYS 63 HE3 LYS 63 -3.325 -10.688 -2.665 448 HZ1 LYS 63 HZ1 LYS 63 -6.085 -11.400 -3.235 449 HZ2 LYS 63 HZ2 LYS 63 -5.834 -10.496 -1.827 450 HZ3 LYS 63 HZ3 LYS 63 -5.043 -11.976 -2.034 451 H LYS 64 H LYS 64 -5.325 -4.698 -5.905 452 HA LYS 64 HA LYS 64 -7.293 -5.047 -7.965 453 HB2 LYS 64 HB2 LYS 64 -6.892 -3.314 -5.663 454 HB3 LYS 64 HB3 LYS 64 -7.496 -2.425 -7.054 455 HG2 LYS 64 HG2 LYS 64 -8.816 -4.982 -6.286 456 HG3 LYS 64 HG3 LYS 64 -9.141 -3.522 -5.349 457 HD2 LYS 64 HD2 LYS 64 -9.828 -2.365 -7.393 458 HD3 LYS 64 HD3 LYS 64 -9.491 -3.821 -8.334 459 HE2 LYS 64 HE2 LYS 64 -11.779 -3.954 -8.005 460 HE3 LYS 64 HE3 LYS 64 -11.149 -4.959 -6.700 461 HZ1 LYS 64 HZ1 LYS 64 -11.865 -3.533 -5.144 462 HZ2 LYS 64 HZ2 LYS 64 -12.921 -2.993 -6.350 463 HZ3 LYS 64 HZ3 LYS 64 -11.482 -2.156 -6.050 464 H ALA 65 H ALA 65 -4.340 -3.223 -7.572 465 HA ALA 65 HA ALA 65 -4.583 -1.291 -9.528 466 HB1 ALA 65 HB1 ALA 65 -2.052 -1.610 -9.789 467 HB2 ALA 65 HB2 ALA 65 -2.670 -1.173 -8.195 468 HB3 ALA 65 HB3 ALA 65 -2.215 -2.843 -8.537 469 H SER 66 H SER 66 -3.965 -4.723 -9.876 470 HA SER 66 HA SER 66 -3.258 -4.590 -12.647 471 HB2 SER 66 HB2 SER 66 -2.409 -6.474 -11.511 472 HB3 SER 66 3HB SER 66 -3.969 -6.841 -10.774 473 HG SER 66 HG SER 66 -3.492 -6.961 -13.566 474 H GLN 67 H GLN 67 -6.218 -4.881 -10.845 475 HA GLN 67 HA GLN 67 -7.826 -5.833 -13.000 476 HB2 GLN 67 HB2 GLN 67 -8.610 -4.424 -10.444 477 HB3 GLN 67 HB3 GLN 67 -9.731 -5.208 -11.549 478 HG2 GLN 67 HG2 GLN 67 -8.242 -7.301 -11.144 479 HG3 GLN 67 HG3 GLN 67 -7.733 -6.424 -9.702 480 HE21 GLN 67 HE21 GLN 67 -9.170 -6.118 -8.033 481 HE22 GLN 67 HE22 GLN 67 -10.687 -6.938 -7.939 482 H LEU 68 H LEU 68 -7.173 -2.639 -11.618 483 HA LEU 68 HA LEU 68 -8.922 -1.297 -13.467 484 HB2 LEU 68 HB2 LEU 68 -6.787 -0.106 -11.708 485 HB3 LEU 68 3HB LEU 68 -8.141 0.739 -12.457 486 HG LEU 68 HG LEU 68 -9.288 -1.267 -10.873 487 HD11 LEU 68 HD11 LEU 68 -6.789 -1.014 -9.889 488 HD12 LEU 68 HD12 LEU 68 -8.199 -1.417 -8.911 489 HD13 LEU 68 HD13 LEU 68 -7.621 0.248 -8.981 490 HD21 LEU 68 HD21 LEU 68 -8.934 1.675 -10.308 491 HD22 LEU 68 HD22 LEU 68 -10.157 0.616 -9.605 492 HD23 LEU 68 HD23 LEU 68 -10.184 0.969 -11.333 493 H GLY 69 H GLY 69 -5.998 -2.738 -13.858 494 HA2 GLY 69 HA1 GLY 69 -4.449 -2.672 -15.553 495 HA3 GLY 69 HA2 GLY 69 -5.546 -1.595 -16.405 496 H VAL 70 H VAL 70 -4.713 -0.479 -13.314 497 HA VAL 70 HA VAL 70 -2.920 1.508 -14.515 498 HB VAL 70 HB VAL 70 -3.421 2.956 -12.692 499 HG11 VAL 70 HG11 VAL 70 -6.136 1.837 -13.029 500 HG12 VAL 70 HG12 VAL 70 -5.544 3.480 -13.282 501 HG13 VAL 70 HG13 VAL 70 -5.261 2.240 -14.505 502 HG21 VAL 70 HG21 VAL 70 -3.637 2.057 -10.665 503 HG22 VAL 70 HG22 VAL 70 -5.307 1.687 -11.096 504 HG23 VAL 70 HG23 VAL 70 -4.047 0.477 -11.332 505 H LYS 71 H LYS 71 -1.024 2.191 -13.344 506 HA LYS 71 HA LYS 71 0.090 0.070 -11.627 507 HB2 LYS 71 HB2 LYS 71 1.378 1.699 -13.805 508 HB3 LYS 71 HB3 LYS 71 2.338 0.919 -12.555 509 HG2 LYS 71 HG2 LYS 71 2.372 -0.605 -14.298 510 HG3 LYS 71 HG3 LYS 71 1.108 -1.230 -13.237 511 HD2 LYS 71 HD2 LYS 71 -0.495 -0.907 -14.773 512 HD3 LYS 71 HD3 LYS 71 0.136 0.677 -15.229 513 HE2 LYS 71 HE2 LYS 71 1.790 -1.608 -16.053 514 HE3 LYS 71 HE3 LYS 71 0.202 -1.528 -16.813 515 HZ1 LYS 71 HZ1 LYS 71 1.101 -0.075 -18.207 516 HZ2 LYS 71 HZ2 LYS 71 2.509 0.079 -17.283 517 HZ3 LYS 71 HZ3 LYS 71 1.157 1.033 -16.929 518 H ILE 72 H ILE 72 1.437 0.699 -9.911 519 HA ILE 72 HA ILE 72 0.980 3.453 -9.015 520 HB ILE 72 HB ILE 72 1.588 2.668 -6.782 521 HG12 ILE 72 HG12 ILE 72 2.038 0.036 -8.194 522 HG13 ILE 72 HG13 ILE 72 3.208 0.970 -7.270 523 HG21 ILE 72 HG21 ILE 72 -0.373 0.672 -7.844 524 HG22 ILE 72 HG22 ILE 72 -0.401 1.561 -6.322 525 HG23 ILE 72 HG23 ILE 72 -0.750 2.394 -7.837 526 HD11 ILE 72 HD11 ILE 72 1.688 0.575 -5.269 527 HD12 ILE 72 HD12 ILE 72 0.896 -0.644 -6.267 528 HD13 ILE 72 HD13 ILE 72 2.608 -0.800 -5.877 529 H ARG 73 H ARG 73 2.680 4.705 -8.129 530 HA ARG 73 HA ARG 73 5.399 3.798 -8.774 531 HB2 ARG 73 HB2 ARG 73 3.966 6.185 -9.796 532 HB3 ARG 73 HB3 ARG 73 5.641 6.421 -9.318 533 HG2 ARG 73 HG2 ARG 73 5.935 4.220 -10.800 534 HG3 ARG 73 HG3 ARG 73 4.506 4.901 -11.581 535 HD2 ARG 73 HD2 ARG 73 6.477 5.705 -12.704 536 HD3 ARG 73 HD3 ARG 73 5.719 7.041 -11.839 537 HE ARG 73 HE ARG 73 7.608 7.228 -10.569 538 HH11 ARG 73 HH11 ARG 73 7.578 4.093 -12.083 539 HH12 ARG 73 HH12 ARG 73 9.171 3.674 -11.546 540 HH21 ARG 73 HH21 ARG 73 9.706 6.688 -9.856 541 HH22 ARG 73 HH22 ARG 73 10.380 5.151 -10.279 542 H ILE 74 H ILE 74 7.045 5.413 -7.808 543 HA ILE 74 HA ILE 74 6.095 6.292 -5.160 544 HB ILE 74 HB ILE 74 8.748 4.985 -5.774 545 HG12 ILE 74 HG12 ILE 74 6.897 3.381 -5.741 546 HG13 ILE 74 HG13 ILE 74 7.928 3.166 -4.331 547 HG21 ILE 74 HG21 ILE 74 8.445 5.048 -3.045 548 HG22 ILE 74 HG22 ILE 74 9.452 6.138 -3.997 549 HG23 ILE 74 HG23 ILE 74 7.814 6.616 -3.549 550 HD11 ILE 74 HD11 ILE 74 6.326 4.334 -2.948 551 HD12 ILE 74 HD12 ILE 74 5.310 4.647 -4.355 552 HD13 ILE 74 HD13 ILE 74 5.550 2.993 -3.791 553 H LEU 75 H LEU 75 9.184 6.504 -6.919 554 HA LEU 75 HA LEU 75 10.453 8.280 -7.565 555 HB2 LEU 75 HB2 LEU 75 7.744 9.199 -7.795 556 HB3 LEU 75 3HB LEU 75 8.779 10.518 -7.251 557 HG LEU 75 HG LEU 75 9.118 8.892 -9.771 558 HD11 LEU 75 HD11 LEU 75 8.900 11.647 -10.278 559 HD12 LEU 75 HD12 LEU 75 7.604 11.240 -9.154 560 HD13 LEU 75 HD13 LEU 75 7.747 10.374 -10.683 561 HD21 LEU 75 HD21 LEU 75 10.909 10.737 -8.319 562 HD22 LEU 75 HD22 LEU 75 10.782 10.980 -10.062 563 HD23 LEU 75 HD23 LEU 75 11.289 9.415 -9.423 564 H HIS 76 H HIS 76 8.282 9.977 -5.322 565 HA HIS 76 HA HIS 76 10.552 10.996 -3.855 566 HB2 HIS 76 HB2 HIS 76 7.626 11.350 -3.194 567 HB3 HIS 76 3HB HIS 76 8.972 12.357 -2.670 568 HD1 HIS 76 HD1 HIS 76 9.859 14.106 -4.327 569 HD2 HIS 76 HD2 HIS 76 6.742 11.807 -5.828 570 HE1 HIS 76 HE1 HIS 76 9.125 15.263 -6.435 571 H ASP 77 H ASP 77 10.536 10.925 -1.436 572 HA ASP 77 HA ASP 77 10.497 9.814 0.558 573 HB2 ASP 77 HB2 ASP 77 8.507 8.921 1.042 574 HB3 ASP 77 3HB ASP 77 8.081 9.027 -0.664 575 H TYR 78 H TYR 78 11.590 8.672 -2.305 576 HA TYR 78 HA TYR 78 13.209 7.182 -2.885 577 HB2 TYR 78 HB2 TYR 78 13.590 7.586 -0.042 578 HB3 TYR 78 3HB TYR 78 14.029 5.948 -0.512 579 HD1 TYR 78 HD1 TYR 78 15.586 5.752 -2.605 580 HD2 TYR 78 HD2 TYR 78 15.144 9.289 -0.283 581 HE1 TYR 78 HE1 TYR 78 17.746 6.569 -3.450 582 HE2 TYR 78 HE2 TYR 78 17.303 10.117 -1.121 583 HH TYR 78 HH TYR 78 19.429 9.083 -2.065 584 H ALA 79 H ALA 79 12.014 5.517 0.014 585 HA ALA 79 HA ALA 79 10.263 3.761 -1.326 586 HB1 ALA 79 HB1 ALA 79 11.725 1.683 -1.002 587 HB2 ALA 79 HB2 ALA 79 12.063 2.720 -2.389 588 HB3 ALA 79 HB3 ALA 79 13.082 2.808 -0.952 589 H GLY 80 H GLY 80 9.069 4.391 0.538 590 HA2 GLY 80 HA1 GLY 80 9.785 4.167 3.184 591 HA3 GLY 80 HA2 GLY 80 8.150 3.911 2.591 592 H ILE 81 H ILE 81 8.953 1.594 0.964 593 HA ILE 81 HA ILE 81 8.708 -0.393 3.037 594 HB ILE 81 HB ILE 81 8.591 -0.431 0.056 595 HG12 ILE 81 HG12 ILE 81 6.460 -1.578 0.508 596 HG13 ILE 81 HG13 ILE 81 6.821 -1.573 2.230 597 HG21 ILE 81 HG21 ILE 81 8.416 -2.942 0.189 598 HG22 ILE 81 HG22 ILE 81 10.033 -2.276 0.404 599 HG23 ILE 81 HG23 ILE 81 9.112 -2.822 1.805 600 HD11 ILE 81 HD11 ILE 81 6.736 0.851 2.256 601 HD12 ILE 81 HD12 ILE 81 6.426 0.871 0.520 602 HD13 ILE 81 HD13 ILE 81 5.237 0.176 1.621 603 H ALA 82 H ALA 82 11.194 0.766 0.869 604 HA ALA 82 HA ALA 82 12.998 -1.410 1.287 605 HB1 ALA 82 HB1 ALA 82 13.731 1.361 0.372 606 HB2 ALA 82 HB2 ALA 82 14.573 -0.154 0.042 607 HB3 ALA 82 HB3 ALA 82 12.999 0.157 -0.689 608 H PHE 83 H PHE 83 11.973 1.054 3.283 609 HA PHE 83 HA PHE 83 14.331 1.856 4.578 610 HB2 PHE 83 HB2 PHE 83 11.911 2.786 4.768 611 HB3 PHE 83 3HB PHE 83 11.717 1.575 6.030 612 HD1 PHE 83 HD1 PHE 83 13.122 1.683 8.066 613 HD2 PHE 83 HD2 PHE 83 13.134 4.775 5.143 614 HE1 PHE 83 HE1 PHE 83 14.152 3.213 9.695 615 HE2 PHE 83 HE2 PHE 83 14.164 6.311 6.766 616 HZ PHE 83 HZ PHE 83 14.674 5.531 9.046 617 H TRP 84 H TRP 84 11.934 -0.575 5.613 618 HA TRP 84 HA TRP 84 13.767 -1.624 7.589 619 HB2 TRP 84 HB2 TRP 84 11.954 -2.616 8.524 620 HB3 TRP 84 3HB TRP 84 11.066 -1.476 7.517 621 HD1 TRP 84 HD1 TRP 84 12.111 -5.182 7.604 622 HE1 TRP 84 HE1 TRP 84 10.499 -6.510 6.100 623 HE3 TRP 84 HE3 TRP 84 9.466 -1.287 5.610 624 HZ2 TRP 84 HZ2 TRP 84 8.386 -5.977 4.305 625 HZ3 TRP 84 HZ3 TRP 84 7.666 -1.781 4.007 626 HH2 TRP 84 HH2 TRP 84 7.139 -4.079 3.369 627 H ALA 85 H ALA 85 13.202 -2.117 4.310 628 HA ALA 85 HA ALA 85 13.413 -4.819 3.872 629 HB1 ALA 85 HB1 ALA 85 14.334 -2.426 2.361 630 HB2 ALA 85 HB2 ALA 85 14.856 -4.022 1.821 631 HB3 ALA 85 HB3 ALA 85 13.136 -3.646 1.927 632 H THR 86 H THR 86 15.826 -2.649 5.088 633 HA THR 86 HA THR 86 18.136 -4.155 4.512 634 HB THR 86 HB THR 86 18.331 -1.843 5.210 635 HG1 THR 86 HG1 THR 86 19.851 -2.248 7.052 636 HG21 THR 86 HG21 THR 86 16.367 -2.327 6.988 637 HG22 THR 86 HG22 THR 86 17.463 -0.950 7.104 638 HG23 THR 86 HG23 THR 86 17.767 -2.403 8.056 639 H GLY 87 H GLY 87 15.901 -4.194 7.257 640 HA2 GLY 87 HA1 GLY 87 15.556 -5.764 8.897 641 HA3 GLY 87 HA2 GLY 87 16.385 -6.906 7.850 642 H GLU 88 H GLU 88 16.542 -5.114 10.716 643 HA GLU 88 HA GLU 88 19.441 -5.476 10.957 644 HB2 GLU 88 HB2 GLU 88 17.684 -3.439 11.792 645 HB3 GLU 88 HB3 GLU 88 18.230 -4.240 13.258 646 HG2 GLU 88 HG2 GLU 88 20.064 -3.186 11.120 647 HG3 GLU 88 HG3 GLU 88 19.616 -2.302 12.577 648 H TRP 89 H TRP 89 16.603 -5.858 13.088 649 HA TRP 89 HA TRP 89 17.994 -7.924 14.582 650 HB2 TRP 89 HB2 TRP 89 15.865 -6.066 15.110 651 HB3 TRP 89 3HB TRP 89 15.325 -7.701 15.480 652 HD1 TRP 89 HD1 TRP 89 18.436 -5.505 16.282 653 HE1 TRP 89 HE1 TRP 89 19.141 -6.001 18.707 654 HE3 TRP 89 HE3 TRP 89 14.979 -9.097 17.415 655 HZ2 TRP 89 HZ2 TRP 89 18.339 -7.691 20.820 656 HZ3 TRP 89 HZ3 TRP 89 15.016 -10.104 19.659 657 HH2 TRP 89 HH2 TRP 89 16.663 -9.415 21.325 658 H LYS 90 H LYS 90 16.949 -9.989 15.057 659 HA LYS 90 HA LYS 90 16.154 -11.329 12.698 660 HB2 LYS 90 HB2 LYS 90 17.339 -12.483 14.487 661 HB3 LYS 90 HB3 LYS 90 15.999 -12.202 15.589 662 HG2 LYS 90 HG2 LYS 90 14.880 -13.974 14.845 663 HG3 LYS 90 HG3 LYS 90 15.177 -13.560 13.156 664 HD2 LYS 90 HD2 LYS 90 17.360 -14.711 14.857 665 HD3 LYS 90 HD3 LYS 90 16.160 -15.761 14.101 666 HE2 LYS 90 HE2 LYS 90 16.786 -14.371 11.956 667 HE3 LYS 90 HE3 LYS 90 18.276 -14.074 12.852 668 HZ1 LYS 90 HZ1 LYS 90 17.860 -16.756 13.113 669 HZ2 LYS 90 HZ2 LYS 90 18.952 -16.018 12.053 670 HZ3 LYS 90 HZ3 LYS 90 17.407 -16.444 11.513 671 H ALA 91 H ALA 91 14.316 -10.252 11.908 672 HA ALA 91 HA ALA 91 11.924 -10.067 13.502 673 HB1 ALA 91 HB1 ALA 91 10.897 -9.249 11.385 674 HB2 ALA 91 HB2 ALA 91 12.320 -8.339 11.893 675 HB3 ALA 91 HB3 ALA 91 12.447 -9.516 10.586 676 H LYS 92 H LYS 92 13.397 -12.626 12.140 677 HA LYS 92 HA LYS 92 11.654 -14.019 10.579 678 HB2 LYS 92 HB2 LYS 92 13.759 -14.996 11.083 679 HB3 LYS 92 HB3 LYS 92 13.434 -14.985 12.811 680 HG2 LYS 92 HG2 LYS 92 11.846 -16.741 12.606 681 HG3 LYS 92 HG3 LYS 92 11.870 -16.637 10.844 682 HD2 LYS 92 HD2 LYS 92 14.528 -17.036 11.554 683 HD3 LYS 92 HD3 LYS 92 13.620 -18.092 12.638 684 HE2 LYS 92 HE2 LYS 92 13.674 -19.536 10.919 685 HE3 LYS 92 HE3 LYS 92 12.365 -18.549 10.271 686 HZ1 LYS 92 HZ1 LYS 92 14.595 -17.238 9.463 687 HZ2 LYS 92 HZ2 LYS 92 13.685 -18.298 8.512 688 HZ3 LYS 92 HZ3 LYS 92 15.057 -18.861 9.327 689 H ASN 93 H ASN 93 11.364 -13.352 13.996 690 HA ASN 93 HA ASN 93 9.100 -15.140 14.311 691 HB2 ASN 93 HB2 ASN 93 10.234 -13.141 16.278 692 HB3 ASN 93 3HB ASN 93 9.109 -14.447 16.638 693 HD21 ASN 93 HD21 ASN 93 12.107 -13.611 17.163 694 HD22 ASN 93 HD22 ASN 93 12.916 -15.135 17.082 695 H GLU 94 H GLU 94 8.482 -13.401 12.350 696 HA GLU 94 HA GLU 94 6.299 -11.895 13.551 697 HB2 GLU 94 HB2 GLU 94 8.627 -10.572 12.835 698 HB3 GLU 94 HB3 GLU 94 7.576 -10.333 11.446 699 HG2 GLU 94 HG2 GLU 94 6.073 -9.080 12.615 700 HG3 GLU 94 HG3 GLU 94 6.456 -9.853 14.153 701 H PHE 95 H PHE 95 5.357 -10.593 11.339 702 HA PHE 95 HA PHE 95 4.859 -12.791 9.441 703 HB2 PHE 95 HB2 PHE 95 3.014 -11.487 11.090 704 HB3 PHE 95 3HB PHE 95 2.756 -10.799 9.491 705 HD1 PHE 95 HD1 PHE 95 2.368 -12.402 7.556 706 HD2 PHE 95 HD2 PHE 95 2.166 -13.582 11.640 707 HE1 PHE 95 HE1 PHE 95 1.064 -14.386 6.914 708 HE2 PHE 95 HE2 PHE 95 0.862 -15.570 11.005 709 HZ PHE 95 HZ PHE 95 0.308 -15.974 8.639 710 H THR 96 H THR 96 6.744 -10.377 9.506 711 HA THR 96 HA THR 96 5.856 -8.665 7.390 712 HB THR 96 HB THR 96 8.750 -8.749 7.827 713 HG1 THR 96 HG1 THR 96 8.393 -7.757 9.998 714 HG21 THR 96 HG21 THR 96 7.441 -6.917 6.730 715 HG22 THR 96 HG22 THR 96 8.482 -6.376 8.047 716 HG23 THR 96 HG23 THR 96 6.746 -6.546 8.306 717 H GLN 97 H GLN 97 8.054 -11.425 7.633 718 HA GLN 97 HA GLN 97 9.222 -11.399 5.145 719 HB2 GLN 97 HB2 GLN 97 8.962 -13.243 7.254 720 HB3 GLN 97 HB3 GLN 97 8.448 -14.095 5.804 721 HG2 GLN 97 HG2 GLN 97 10.835 -12.612 5.259 722 HG3 GLN 97 HG3 GLN 97 11.063 -13.618 6.689 723 HE21 GLN 97 HE21 GLN 97 9.078 -14.193 3.826 724 HE22 GLN 97 HE22 GLN 97 9.890 -15.636 3.334 725 H ALA 98 H ALA 98 6.019 -12.595 6.036 726 HA ALA 98 HA ALA 98 5.226 -13.884 3.759 727 HB1 ALA 98 HB1 ALA 98 3.284 -11.993 4.982 728 HB2 ALA 98 HB2 ALA 98 3.078 -13.681 4.512 729 HB3 ALA 98 HB3 ALA 98 3.957 -13.277 5.988 730 H TYR 99 H TYR 99 5.481 -10.414 4.283 731 HA TYR 99 HA TYR 99 4.107 -9.458 2.078 732 HB2 TYR 99 HB2 TYR 99 4.990 -7.991 3.820 733 HB3 TYR 99 3HB TYR 99 6.637 -8.362 3.325 734 HD1 TYR 99 HD1 TYR 99 3.682 -7.594 1.194 735 HD2 TYR 99 HD2 TYR 99 7.487 -6.311 2.603 736 HE1 TYR 99 HE1 TYR 99 3.626 -5.710 -0.386 737 HE2 TYR 99 HE2 TYR 99 7.440 -4.424 1.026 738 HH TYR 99 HH TYR 99 5.579 -4.231 -1.557 739 H ALA 100 H ALA 100 7.596 -10.172 2.282 740 HA ALA 100 HA ALA 100 8.302 -9.651 -0.332 741 HB1 ALA 100 HB1 ALA 100 9.642 -10.540 1.815 742 HB2 ALA 100 HB2 ALA 100 9.563 -12.032 0.874 743 HB3 ALA 100 HB3 ALA 100 10.295 -10.587 0.176 744 H LYS 101 H LYS 101 6.585 -12.393 0.970 745 HA LYS 101 HA LYS 101 6.886 -14.045 -1.352 746 HB2 LYS 101 HB2 LYS 101 4.748 -14.308 0.757 747 HB3 LYS 101 HB3 LYS 101 5.415 -15.571 -0.270 748 HG2 LYS 101 HG2 LYS 101 7.637 -14.691 1.040 749 HG3 LYS 101 HG3 LYS 101 6.386 -14.501 2.270 750 HD2 LYS 101 HD2 LYS 101 5.945 -16.756 2.360 751 HD3 LYS 101 HD3 LYS 101 6.493 -17.037 0.706 752 HE2 LYS 101 HE2 LYS 101 8.799 -16.231 1.830 753 HE3 LYS 101 HE3 LYS 101 8.021 -16.962 3.233 754 HZ1 LYS 101 HZ1 LYS 101 8.202 -19.017 2.374 755 HZ2 LYS 101 HZ2 LYS 101 9.457 -18.334 1.468 756 HZ3 LYS 101 HZ3 LYS 101 7.921 -18.515 0.782 757 H LEU 102 H LEU 102 4.239 -12.083 -0.015 758 HA LEU 102 HA LEU 102 2.387 -12.598 -2.064 759 HB2 LEU 102 HB2 LEU 102 2.696 -10.563 0.067 760 HB3 LEU 102 3HB LEU 102 1.601 -10.178 -1.258 761 HG LEU 102 HG LEU 102 1.395 -12.575 0.566 762 HD11 LEU 102 HD11 LEU 102 -0.030 -11.425 1.857 763 HD12 LEU 102 HD12 LEU 102 -0.756 -10.586 0.487 764 HD13 LEU 102 HD13 LEU 102 0.759 -10.003 1.174 765 HD21 LEU 102 HD21 LEU 102 -0.072 -13.452 -0.851 766 HD22 LEU 102 HD22 LEU 102 0.424 -12.239 -2.030 767 HD23 LEU 102 HD23 LEU 102 -0.952 -11.929 -0.971 768 H MET 103 H MET 103 5.213 -10.684 -2.016 769 HA MET 103 HA MET 103 4.576 -8.674 -3.856 770 HB2 MET 103 HB2 MET 103 6.611 -8.495 -2.630 771 HB3 MET 103 HB3 MET 103 7.179 -10.054 -3.211 772 HG2 MET 103 HG2 MET 103 8.056 -9.168 -5.050 773 HG3 MET 103 HG3 MET 103 6.621 -8.195 -5.368 774 HE1 MET 103 HE1 MET 103 10.003 -7.133 -5.678 775 HE2 MET 103 HE2 MET 103 8.458 -6.771 -6.448 776 HE3 MET 103 HE3 MET 103 9.332 -5.505 -5.584 777 H ASN 104 H ASN 104 6.505 -11.593 -4.565 778 HA ASN 104 HA ASN 104 6.358 -11.400 -7.334 779 HB2 ASN 104 HB2 ASN 104 7.952 -12.877 -6.273 780 HB3 ASN 104 3HB ASN 104 6.655 -13.849 -5.585 781 HD21 ASN 104 HD21 ASN 104 5.333 -15.081 -7.027 782 HD22 ASN 104 HD22 ASN 104 5.969 -15.615 -8.542 783 H GLN 105 H GLN 105 4.067 -12.682 -5.039 784 HA GLN 105 HA GLN 105 2.481 -14.300 -6.598 785 HB2 GLN 105 HB2 GLN 105 2.283 -13.108 -4.080 786 HB3 GLN 105 HB3 GLN 105 0.848 -12.567 -4.941 787 HG2 GLN 105 HG2 GLN 105 1.651 -15.455 -4.836 788 HG3 GLN 105 HG3 GLN 105 0.662 -14.704 -3.585 789 HE21 GLN 105 HE21 GLN 105 -1.029 -13.130 -4.893 790 HE22 GLN 105 HE22 GLN 105 -2.013 -14.033 -5.991 791 H TYR 106 H TYR 106 2.362 -10.766 -6.316 792 HA TYR 106 HA TYR 106 0.851 -10.704 -8.838 793 HB2 TYR 106 HB2 TYR 106 -0.260 -8.592 -7.831 794 HB3 TYR 106 3HB TYR 106 -0.845 -10.172 -7.321 795 HD1 TYR 106 HD1 TYR 106 1.901 -7.846 -6.287 796 HD2 TYR 106 HD2 TYR 106 -1.355 -10.307 -5.085 797 HE1 TYR 106 HE1 TYR 106 2.313 -7.235 -3.940 798 HE2 TYR 106 HE2 TYR 106 -0.953 -9.702 -2.735 799 HH TYR 106 HH TYR 106 1.872 -8.154 -1.693 800 H ARG 107 H ARG 107 3.665 -10.438 -8.451 801 HA ARG 107 HA ARG 107 4.283 -7.615 -8.607 802 HB2 ARG 107 HB2 ARG 107 5.918 -8.923 -7.494 803 HB3 ARG 107 HB3 ARG 107 5.945 -10.121 -8.781 804 HG2 ARG 107 HG2 ARG 107 6.648 -7.485 -9.747 805 HG3 ARG 107 HG3 ARG 107 7.705 -8.021 -8.441 806 HD2 ARG 107 HD2 ARG 107 8.057 -10.148 -9.668 807 HD3 ARG 107 HD3 ARG 107 7.101 -9.497 -10.999 808 HE ARG 107 HE ARG 107 9.024 -7.628 -10.646 809 HH11 ARG 107 HH11 ARG 107 9.091 -11.079 -11.092 810 HH12 ARG 107 HH12 ARG 107 10.630 -11.078 -11.888 811 HH21 ARG 107 HH21 ARG 107 11.050 -7.613 -11.693 812 HH22 ARG 107 HH22 ARG 107 11.743 -9.106 -12.229 813 H GLY 108 H GLY 108 4.430 -6.445 -10.414 814 HA2 GLY 108 HA1 GLY 108 5.473 -6.997 -12.831 815 HA3 GLY 108 HA2 GLY 108 3.877 -7.722 -12.956 816 H ILE 109 H ILE 109 2.918 -5.513 -11.068 817 HA ILE 109 HA ILE 109 2.543 -3.509 -13.186 818 HB ILE 109 HB ILE 109 0.619 -2.749 -11.677 819 HG12 ILE 109 HG12 ILE 109 1.650 -4.380 -9.831 820 HG13 ILE 109 HG13 ILE 109 -0.072 -4.023 -9.906 821 HG21 ILE 109 HG21 ILE 109 0.027 -3.764 -13.689 822 HG22 ILE 109 HG22 ILE 109 0.681 -5.327 -13.202 823 HG23 ILE 109 HG23 ILE 109 -0.812 -4.731 -12.474 824 HD11 ILE 109 HD11 ILE 109 1.205 -6.417 -11.199 825 HD12 ILE 109 HD12 ILE 109 0.472 -6.423 -9.594 826 HD13 ILE 109 HD13 ILE 109 -0.517 -6.086 -11.014 827 H TYR 110 H TYR 110 3.550 -3.951 -9.860 828 HA TYR 110 HA TYR 110 4.230 -1.088 -9.715 829 HB2 TYR 110 HB2 TYR 110 3.989 -1.172 -7.371 830 HB3 TYR 110 3HB TYR 110 2.625 -2.094 -7.993 831 HD1 TYR 110 HD1 TYR 110 2.706 -4.598 -7.916 832 HD2 TYR 110 HD2 TYR 110 5.609 -2.176 -5.964 833 HE1 TYR 110 HE1 TYR 110 3.368 -6.519 -6.529 834 HE2 TYR 110 HE2 TYR 110 6.281 -4.090 -4.574 835 HH TYR 110 HH TYR 110 4.555 -6.670 -4.040 836 H SER 111 H SER 111 6.185 -0.645 -8.307 837 HA SER 111 HA SER 111 8.237 -2.726 -8.599 838 HB2 SER 111 HB2 SER 111 9.526 -0.248 -9.021 839 HB3 SER 111 3HB SER 111 9.289 -1.548 -10.188 840 HG SER 111 HG SER 111 8.232 0.030 -11.158 841 H PHE 112 H PHE 112 9.793 -2.772 -7.015 842 HA PHE 112 HA PHE 112 10.181 -0.676 -5.130 843 HB2 PHE 112 HB2 PHE 112 8.118 -2.650 -4.569 844 HB3 PHE 112 3HB PHE 112 9.369 -2.639 -3.331 845 HD1 PHE 112 HD1 PHE 112 10.020 -0.306 -2.393 846 HD2 PHE 112 HD2 PHE 112 6.390 -1.128 -4.457 847 HE1 PHE 112 HE1 PHE 112 8.991 1.683 -1.371 848 HE2 PHE 112 HE2 PHE 112 5.356 0.859 -3.440 849 HZ PHE 112 HZ PHE 112 6.657 2.267 -1.894 850 H GLU 113 H GLU 113 11.529 -1.526 -3.206 851 HA GLU 113 HA GLU 113 13.605 -3.225 -4.339 852 HB2 GLU 113 HB2 GLU 113 13.572 -0.987 -2.598 853 HB3 GLU 113 HB3 GLU 113 14.217 -2.343 -1.682 854 HG2 GLU 113 HG2 GLU 113 16.102 -2.465 -2.919 855 HG3 GLU 113 HG3 GLU 113 15.295 -1.964 -4.403 856 H LYS 114 H LYS 114 14.397 -5.091 -3.355 857 HA LYS 114 HA LYS 114 12.579 -6.871 -2.293 858 HB2 LYS 114 HB2 LYS 114 14.995 -7.219 -3.231 859 HB3 LYS 114 HB3 LYS 114 15.476 -7.066 -1.546 860 HG2 LYS 114 HG2 LYS 114 13.287 -8.889 -1.732 861 HG3 LYS 114 HG3 LYS 114 14.537 -9.353 -2.890 862 HD2 LYS 114 HD2 LYS 114 16.132 -8.922 -0.843 863 HD3 LYS 114 HD3 LYS 114 14.658 -9.201 0.087 864 HE2 LYS 114 HE2 LYS 114 15.390 -11.347 -0.041 865 HE3 LYS 114 HE3 LYS 114 14.493 -11.287 -1.558 866 HZ1 LYS 114 HZ1 LYS 114 16.594 -12.229 -2.026 867 HZ2 LYS 114 HZ2 LYS 114 17.421 -11.020 -1.180 868 HZ3 LYS 114 HZ3 LYS 114 16.643 -10.652 -2.636 869 H VAL 115 H VAL 115 12.120 -7.646 -0.230 870 HA VAL 115 HA VAL 115 13.014 -5.931 1.995 871 HB VAL 115 HB VAL 115 10.649 -6.863 2.918 872 HG11 VAL 115 HG11 VAL 115 9.727 -4.628 2.279 873 HG12 VAL 115 HG12 VAL 115 11.305 -4.569 3.066 874 HG13 VAL 115 HG13 VAL 115 11.182 -4.366 1.318 875 HG21 VAL 115 HG21 VAL 115 9.975 -6.174 0.084 876 HG22 VAL 115 HG22 VAL 115 10.343 -7.838 0.536 877 HG23 VAL 115 HG23 VAL 115 8.993 -6.995 1.297 878 H LYS 116 H LYS 116 13.289 -6.922 4.021 879 HA LYS 116 HA LYS 116 13.708 -9.826 3.864 880 HB2 LYS 116 HB2 LYS 116 14.991 -7.643 5.472 881 HB3 LYS 116 HB3 LYS 116 15.058 -9.307 6.037 882 HG2 LYS 116 HG2 LYS 116 15.800 -9.088 3.248 883 HG3 LYS 116 HG3 LYS 116 16.811 -8.081 4.286 884 HD2 LYS 116 HD2 LYS 116 17.262 -10.033 5.710 885 HD3 LYS 116 HD3 LYS 116 16.278 -11.032 4.638 886 HE2 LYS 116 HE2 LYS 116 17.912 -10.070 2.807 887 HE3 LYS 116 HE3 LYS 116 18.973 -9.843 4.197 888 HZ1 LYS 116 HZ1 LYS 116 17.741 -12.406 3.342 889 HZ2 LYS 116 HZ2 LYS 116 18.706 -12.203 4.715 890 HZ3 LYS 116 HZ3 LYS 116 19.369 -11.977 3.176 891 H ALA 117 H ALA 117 13.277 -7.770 6.710 892 HA ALA 117 HA ALA 117 10.658 -8.382 7.360 893 HB1 ALA 117 HB1 ALA 117 11.185 -10.138 9.187 894 HB2 ALA 117 HB2 ALA 117 11.010 -10.666 7.512 895 HB3 ALA 117 HB3 ALA 117 12.617 -10.477 8.213 896 H HIS 118 H HIS 118 10.111 -6.992 8.909 897 HA HIS 118 HA HIS 118 11.432 -6.595 11.328 898 HB2 HIS 118 HB2 HIS 118 12.939 -5.464 9.365 899 HB3 HIS 118 3HB HIS 118 11.914 -4.106 9.817 900 HD1 HIS 118 HD1 HIS 118 13.779 -2.784 10.947 901 HD2 HIS 118 HD2 HIS 118 13.249 -6.585 12.537 902 HE1 HIS 118 HE1 HIS 118 15.143 -2.825 13.059 903 H SER 119 H SER 119 10.886 -4.002 11.964 904 HA SER 119 HA SER 119 7.992 -4.021 11.960 905 HB2 SER 119 HB2 SER 119 9.743 -3.367 13.886 906 HB3 SER 119 3HB SER 119 9.486 -1.766 13.194 907 HG SER 119 HG SER 119 7.770 -1.780 14.409 908 H GLY 120 H GLY 120 7.319 -1.377 12.092 909 HA2 GLY 120 HA1 GLY 120 7.590 -0.606 9.292 910 HA3 GLY 120 HA2 GLY 120 6.450 0.061 10.451 911 H ASN 121 H ASN 121 6.942 2.192 9.916 912 HA ASN 121 HA ASN 121 8.944 3.430 11.429 913 HB2 ASN 121 HB2 ASN 121 10.121 2.287 9.278 914 HB3 ASN 121 3HB ASN 121 9.696 3.854 8.597 915 HD21 ASN 121 HD21 ASN 121 11.025 5.489 8.949 916 HD22 ASN 121 HD22 ASN 121 12.293 5.522 10.122 917 H GLU 122 H GLU 122 9.442 5.723 9.956 918 HA GLU 122 HA GLU 122 6.731 6.830 9.739 919 HB2 GLU 122 HB2 GLU 122 7.787 9.018 10.111 920 HB3 GLU 122 HB3 GLU 122 8.146 7.892 11.413 921 HG2 GLU 122 HG2 GLU 122 10.338 7.978 11.035 922 HG3 GLU 122 HG3 GLU 122 10.135 7.854 9.288 923 H PHE 123 H PHE 123 9.551 6.104 7.929 924 HA PHE 123 HA PHE 123 9.536 7.957 5.888 925 HB2 PHE 123 HB2 PHE 123 10.766 5.483 6.369 926 HB3 PHE 123 3HB PHE 123 9.953 5.301 4.818 927 HD1 PHE 123 HD1 PHE 123 11.871 8.018 6.521 928 HD2 PHE 123 HD2 PHE 123 11.336 5.640 3.032 929 HE1 PHE 123 HE1 PHE 123 13.712 9.224 5.422 930 HE2 PHE 123 HE2 PHE 123 13.177 6.841 1.927 931 HZ PHE 123 HZ PHE 123 14.368 8.636 3.122 932 H ASN 124 H ASN 124 7.332 5.317 6.473 933 HA ASN 124 HA ASN 124 6.111 5.402 3.880 934 HB2 ASN 124 HB2 ASN 124 4.351 3.970 5.001 935 HB3 ASN 124 3HB ASN 124 5.990 3.326 5.047 936 HD21 ASN 124 HD21 ASN 124 3.414 4.753 6.888 937 HD22 ASN 124 HD22 ASN 124 4.047 4.370 8.450 938 H ASP 125 H ASP 125 5.319 6.662 7.090 939 HA ASP 125 HA ASP 125 2.782 7.650 6.620 940 HB2 ASP 125 HB2 ASP 125 5.011 8.436 8.440 941 HB3 ASP 125 3HB ASP 125 3.641 9.532 8.286 942 H TYR 126 H TYR 126 5.815 8.776 5.415 943 HA TYR 126 HA TYR 126 5.344 11.441 4.885 944 HB2 TYR 126 HB2 TYR 126 7.495 10.761 4.360 945 HB3 TYR 126 3HB TYR 126 6.945 9.324 3.504 946 HD1 TYR 126 HD1 TYR 126 6.082 9.511 1.195 947 HD2 TYR 126 HD2 TYR 126 7.756 12.853 3.227 948 HE1 TYR 126 HE1 TYR 126 6.321 10.689 -0.951 949 HE2 TYR 126 HE2 TYR 126 7.999 14.040 1.088 950 HH TYR 126 HH TYR 126 6.743 12.689 -1.917 951 H VAL 127 H VAL 127 4.051 8.620 3.291 952 HA VAL 127 HA VAL 127 3.167 9.703 0.893 953 HB VAL 127 HB VAL 127 1.370 7.967 0.961 954 HG11 VAL 127 HG11 VAL 127 4.236 7.276 1.506 955 HG12 VAL 127 HG12 VAL 127 3.035 6.019 1.204 956 HG13 VAL 127 HG13 VAL 127 3.356 7.247 -0.021 957 HG21 VAL 127 HG21 VAL 127 2.075 8.006 3.776 958 HG22 VAL 127 HG22 VAL 127 0.645 7.352 2.980 959 HG23 VAL 127 HG23 VAL 127 2.110 6.378 3.100 960 H ASP 128 H ASP 128 2.008 10.212 4.105 961 HA ASP 128 HA ASP 128 -0.628 10.947 3.699 962 HB2 ASP 128 HB2 ASP 128 1.388 12.133 5.616 963 HB3 ASP 128 3HB ASP 128 -0.351 12.397 5.705 964 H MET 129 H MET 129 2.252 13.039 3.575 965 HA MET 129 HA MET 129 0.779 15.325 2.709 966 HB2 MET 129 HB2 MET 129 3.281 14.920 3.765 967 HB3 MET 129 HB3 MET 129 3.646 15.296 2.086 968 HG2 MET 129 HG2 MET 129 2.202 17.337 2.343 969 HG3 MET 129 HG3 MET 129 2.159 16.990 4.069 970 HE1 MET 129 HE1 MET 129 5.345 15.628 3.738 971 HE2 MET 129 HE2 MET 129 6.204 16.929 4.562 972 HE3 MET 129 HE3 MET 129 4.695 16.305 5.231 973 H LYS 130 H LYS 130 2.820 12.927 1.091 974 HA LYS 130 HA LYS 130 2.905 14.034 -1.450 975 HB2 LYS 130 HB2 LYS 130 3.762 11.685 -0.293 976 HB3 LYS 130 HB3 LYS 130 2.564 11.125 -1.451 977 HG2 LYS 130 HG2 LYS 130 4.793 12.995 -2.199 978 HG3 LYS 130 HG3 LYS 130 4.946 11.238 -2.267 979 HD2 LYS 130 HD2 LYS 130 4.225 11.546 -4.389 980 HD3 LYS 130 HD3 LYS 130 2.639 11.549 -3.613 981 HE2 LYS 130 HE2 LYS 130 2.765 13.426 -5.102 982 HE3 LYS 130 HE3 LYS 130 2.795 14.024 -3.443 983 HZ1 LYS 130 HZ1 LYS 130 4.832 14.862 -3.709 984 HZ2 LYS 130 HZ2 LYS 130 4.549 14.716 -5.369 985 HZ3 LYS 130 HZ3 LYS 130 5.405 13.509 -4.547 986 H ALA 131 H ALA 131 0.521 11.742 -0.132 987 HA ALA 131 HA ALA 131 -1.093 11.455 -2.358 988 HB1 ALA 131 HB1 ALA 131 -2.930 10.976 -0.736 989 HB2 ALA 131 HB2 ALA 131 -1.442 10.074 -0.442 990 HB3 ALA 131 HB3 ALA 131 -1.840 11.471 0.559 991 H LYS 132 H LYS 132 -1.056 14.036 0.044 992 HA LYS 132 HA LYS 132 -3.402 15.357 -0.593 993 HB2 LYS 132 HB2 LYS 132 -1.089 15.892 0.940 994 HB3 LYS 132 HB3 LYS 132 -1.319 17.281 -0.115 995 HG2 LYS 132 HG2 LYS 132 -3.822 17.018 0.738 996 HG3 LYS 132 HG3 LYS 132 -2.993 16.289 2.114 997 HD2 LYS 132 HD2 LYS 132 -1.527 18.346 2.161 998 HD3 LYS 132 HD3 LYS 132 -2.642 19.063 0.996 999 HE2 LYS 132 HE2 LYS 132 -4.480 18.491 2.680 1000 HE3 LYS 132 HE3 LYS 132 -3.172 18.230 3.833 1001 HZ1 LYS 132 HZ1 LYS 132 -4.298 20.676 2.914 1002 HZ2 LYS 132 HZ2 LYS 132 -2.626 20.652 2.664 1003 HZ3 LYS 132 HZ3 LYS 132 -3.252 20.400 4.215 1004 H SER 133 H SER 133 -0.301 15.392 -2.240 1005 HA SER 133 HA SER 133 -1.043 17.512 -4.039 1006 HB2 SER 133 HB2 SER 133 1.359 16.257 -3.292 1007 HB3 SER 133 3HB SER 133 1.149 15.895 -5.006 1008 HG SER 133 HG SER 133 2.164 18.032 -4.159 1009 H ALA 134 H ALA 134 -0.850 13.989 -4.168 1010 HA ALA 134 HA ALA 134 -1.306 13.611 -6.890 1011 HB1 ALA 134 HB1 ALA 134 -2.241 11.385 -6.192 1012 HB2 ALA 134 HB2 ALA 134 -0.633 11.757 -5.570 1013 HB3 ALA 134 HB3 ALA 134 -2.041 11.909 -4.520 1014 H LEU 135 H LEU 135 -3.542 14.307 -4.278 1015 HA LEU 135 HA LEU 135 -5.898 13.805 -5.837 1016 HB2 LEU 135 HB2 LEU 135 -6.296 13.530 -3.588 1017 HB3 LEU 135 3HB LEU 135 -5.315 14.923 -3.138 1018 HG LEU 135 HG LEU 135 -7.748 15.574 -4.648 1019 HD11 LEU 135 HD11 LEU 135 -8.437 13.630 -3.201 1020 HD12 LEU 135 HD12 LEU 135 -9.305 15.139 -2.923 1021 HD13 LEU 135 HD13 LEU 135 -8.038 14.634 -1.807 1022 HD21 LEU 135 HD21 LEU 135 -5.918 16.843 -2.961 1023 HD22 LEU 135 HD22 LEU 135 -7.431 16.785 -2.056 1024 HD23 LEU 135 HD23 LEU 135 -7.389 17.529 -3.655 1025 H GLY 136 H GLY 136 -4.428 16.781 -4.519 1026 HA2 GLY 136 HA1 GLY 136 -4.177 18.527 -6.376 1027 HA3 GLY 136 HA2 GLY 136 -5.910 18.301 -6.565 1028 H ILE 137 H ILE 137 -3.393 19.430 -4.379 1029 HA ILE 137 HA ILE 137 -5.437 21.026 -2.976 1030 HB ILE 137 HB ILE 137 -2.835 19.968 -1.863 1031 HG12 ILE 137 HG12 ILE 137 -4.701 18.307 -2.145 1032 HG13 ILE 137 HG13 ILE 137 -4.175 18.537 -0.480 1033 HG21 ILE 137 HG21 ILE 137 -4.756 22.004 -0.915 1034 HG22 ILE 137 HG22 ILE 137 -4.155 20.862 0.285 1035 HG23 ILE 137 HG23 ILE 137 -3.022 21.858 -0.630 1036 HD11 ILE 137 HD11 ILE 137 -6.600 18.390 -0.659 1037 HD12 ILE 137 HD12 ILE 137 -6.090 19.971 -0.063 1038 HD13 ILE 137 HD13 ILE 137 -6.606 19.784 -1.738 1039 H ARG 138 H ARG 138 -5.014 23.177 -2.574 1040 HA ARG 138 HA ARG 138 -3.459 24.581 -4.415 1041 HB2 ARG 138 HB2 ARG 138 -3.778 26.523 -2.791 1042 HB3 ARG 138 HB3 ARG 138 -5.235 25.757 -3.409 1043 HG2 ARG 138 HG2 ARG 138 -4.343 24.515 -0.957 1044 HG3 ARG 138 HG3 ARG 138 -4.609 26.248 -0.758 1045 HD2 ARG 138 HD2 ARG 138 -6.837 25.877 -1.930 1046 HD3 ARG 138 HD3 ARG 138 -6.555 24.153 -1.688 1047 HE ARG 138 HE ARG 138 -6.301 25.660 0.730 1048 HH11 ARG 138 HH11 ARG 138 -8.573 24.152 -1.435 1049 HH12 ARG 138 HH12 ARG 138 -9.784 23.927 -0.216 1050 HH21 ARG 138 HH21 ARG 138 -7.888 25.370 2.343 1051 HH22 ARG 138 HH22 ARG 138 -9.394 24.622 1.932 1052 H ASP 139 H ASP 139 -1.915 26.425 -3.328 1053 HA ASP 139 HA ASP 139 0.166 26.879 -2.527 1054 HB2 ASP 139 HB2 ASP 139 -0.951 26.043 -0.388 1055 HB3 ASP 139 3HB ASP 139 -0.138 24.508 -0.688 1056 H LEU 140 H LEU 140 2.392 26.102 -2.525 1057 HA LEU 140 HA LEU 140 2.909 23.461 -3.581 1058 HB2 LEU 140 HB2 LEU 140 3.695 24.027 -5.668 1059 HB3 LEU 140 3HB LEU 140 2.295 25.083 -5.502 1060 HG LEU 140 HG LEU 140 5.198 25.850 -5.237 1061 HD11 LEU 140 HD11 LEU 140 4.838 25.884 -7.484 1062 HD12 LEU 140 HD12 LEU 140 4.235 27.490 -7.076 1063 HD13 LEU 140 HD13 LEU 140 3.104 26.160 -7.317 1064 HD21 LEU 140 HD21 LEU 140 2.761 27.591 -4.880 1065 HD22 LEU 140 HD22 LEU 140 4.448 28.098 -4.786 1066 HD23 LEU 140 HD23 LEU 140 3.786 27.006 -3.568 1067 H GLU 141 H GLU 141 5.402 23.414 -4.222 1068 HA GLU 141 HA GLU 141 7.177 25.165 -2.917 1069 HB2 GLU 141 HB2 GLU 141 5.940 23.182 -1.226 1070 HB3 GLU 141 HB3 GLU 141 7.672 22.900 -1.325 1071 HG2 GLU 141 HG2 GLU 141 7.594 25.585 -0.935 1072 HG3 GLU 141 HG3 GLU 141 6.183 25.056 -0.021 1073 H HIS 142 H HIS 142 9.358 23.791 -2.433 1074 HA HIS 142 HA HIS 142 9.753 21.712 -4.421 1075 HB2 HIS 142 HB2 HIS 142 11.530 22.854 -5.598 1076 HB3 HIS 142 3HB HIS 142 10.079 23.851 -5.655 1077 HD1 HIS 142 HD1 HIS 142 13.589 23.864 -4.564 1078 HD2 HIS 142 HD2 HIS 142 10.182 26.157 -3.933 1079 HE1 HIS 142 HE1 HIS 142 14.407 26.025 -3.569 1080 H HIS 143 H HIS 143 11.428 20.353 -3.940 1081 HA HIS 143 HA HIS 143 13.636 20.935 -2.331 1082 HB2 HIS 143 HB2 HIS 143 11.315 20.739 -0.799 1083 HB3 HIS 143 3HB HIS 143 12.099 19.174 -0.604 1084 HD1 HIS 143 HD1 HIS 143 12.223 22.630 0.554 1085 HD2 HIS 143 HD2 HIS 143 14.817 19.387 0.427 1086 HE1 HIS 143 HE1 HIS 143 14.071 23.183 2.170 1087 H HIS 144 H HIS 144 14.999 19.124 -2.005 1088 HA HIS 144 HA HIS 144 14.296 16.457 -2.464 1089 HB2 HIS 144 HB2 HIS 144 14.347 17.927 -4.847 1090 HB3 HIS 144 3HB HIS 144 15.868 17.039 -4.826 1091 HD1 HIS 144 HD1 HIS 144 15.725 14.443 -4.901 1092 HD2 HIS 144 HD2 HIS 144 12.061 16.379 -5.204 1093 HE1 HIS 144 HE1 HIS 144 14.100 12.689 -5.682 1094 H HIS 145 H HIS 145 16.299 15.086 -2.957 1095 HA HIS 145 HA HIS 145 18.859 16.274 -2.452 1096 HB2 HIS 145 HB2 HIS 145 17.379 15.759 -0.188 1097 HB3 HIS 145 3HB HIS 145 18.348 14.296 -0.350 1098 HD1 HIS 145 HD1 HIS 145 19.095 18.027 -0.644 1099 HD2 HIS 145 HD2 HIS 145 20.622 14.560 1.063 1100 HE1 HIS 145 HE1 HIS 145 21.184 18.735 0.562 1101 H HIS 146 H HIS 146 20.450 14.313 -1.843 1102 HA HIS 146 HA HIS 146 19.746 11.781 -2.972 1103 HB2 HIS 146 HB2 HIS 146 20.554 13.744 -4.800 1104 HB3 HIS 146 3HB HIS 146 21.972 12.726 -4.564 1105 HD1 HIS 146 HD1 HIS 146 22.039 11.171 -6.484 1106 HD2 HIS 146 HD2 HIS 146 18.186 11.623 -4.996 1107 HE1 HIS 146 HE1 HIS 146 20.615 9.578 -7.810 1108 H HIS 147 H HIS 147 21.169 10.196 -2.386 1109 HA HIS 147 HA HIS 147 23.871 10.616 -1.696 1110 HB2 HIS 147 HB2 HIS 147 23.633 10.179 0.776 1111 HB3 HIS 147 3HB HIS 147 23.095 11.770 0.249 1112 HD1 HIS 147 HD1 HIS 147 20.920 12.450 1.191 1113 HD2 HIS 147 HD2 HIS 147 21.264 8.317 0.945 1114 HE1 HIS 147 HE1 HIS 147 18.805 11.538 2.199 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -8.333 4.991 -18.907 2 HA MET 1 HA MET 1 -5.827 5.061 -19.063 3 HB2 MET 1 HB2 MET 1 -5.759 5.503 -21.557 4 HB3 MET 1 HB3 MET 1 -6.895 4.270 -21.027 5 HG2 MET 1 HG2 MET 1 -8.708 5.940 -21.145 6 HG3 MET 1 HG3 MET 1 -7.550 7.109 -21.775 7 HE1 MET 1 HE1 MET 1 -9.987 5.904 -24.750 8 HE2 MET 1 HE2 MET 1 -10.411 5.830 -23.039 9 HE3 MET 1 HE3 MET 1 -9.601 7.257 -23.687 10 H ASP 2 H ASP 2 -6.142 7.276 -17.551 11 HA ASP 2 HA ASP 2 -4.322 9.123 -18.827 12 HB2 ASP 2 HB2 ASP 2 -7.128 9.692 -18.739 13 HB3 ASP 2 3HB ASP 2 -6.286 10.815 -17.674 14 H ASP 3 H ASP 3 -4.579 7.266 -16.465 15 HA ASP 3 HA ASP 3 -4.675 8.756 -14.083 16 HB2 ASP 3 HB2 ASP 3 -4.886 6.363 -13.993 17 HB3 ASP 3 3HB ASP 3 -3.306 6.145 -14.740 18 H ARG 4 H ARG 4 -3.455 10.582 -14.035 19 HA ARG 4 HA ARG 4 -0.605 10.388 -14.680 20 HB2 ARG 4 HB2 ARG 4 -0.580 12.761 -14.801 21 HB3 ARG 4 HB3 ARG 4 -2.044 12.238 -15.623 22 HG2 ARG 4 HG2 ARG 4 -3.225 12.660 -13.393 23 HG3 ARG 4 HG3 ARG 4 -1.765 13.543 -12.941 24 HD2 ARG 4 HD2 ARG 4 -2.579 15.323 -13.991 25 HD3 ARG 4 HD3 ARG 4 -2.444 14.437 -15.509 26 HE ARG 4 HE ARG 4 -4.826 13.674 -14.273 27 HH11 ARG 4 HH11 ARG 4 -3.393 16.501 -15.712 28 HH12 ARG 4 HH12 ARG 4 -4.908 17.172 -16.217 29 HH21 ARG 4 HH21 ARG 4 -6.828 14.547 -14.933 30 HH22 ARG 4 HH22 ARG 4 -6.861 16.061 -15.773 31 H THR 5 H THR 5 -1.733 9.195 -12.266 32 HA THR 5 HA THR 5 -1.417 10.652 -9.948 33 HB THR 5 HB THR 5 -0.851 8.518 -8.822 34 HG1 THR 5 HG1 THR 5 -0.801 6.627 -10.214 35 HG21 THR 5 HG21 THR 5 -2.901 7.278 -9.517 36 HG22 THR 5 HG22 THR 5 -3.073 8.407 -10.862 37 HG23 THR 5 HG23 THR 5 -3.179 8.990 -9.202 38 H GLU 6 H GLU 6 1.084 8.329 -10.942 39 HA GLU 6 HA GLU 6 3.361 8.464 -10.976 40 HB2 GLU 6 HB2 GLU 6 2.786 10.766 -12.040 41 HB3 GLU 6 HB3 GLU 6 3.233 11.419 -10.470 42 HG2 GLU 6 HG2 GLU 6 5.393 11.249 -10.926 43 HG3 GLU 6 HG3 GLU 6 5.222 9.565 -11.419 44 H TYR 7 H TYR 7 2.448 11.077 -8.728 45 HA TYR 7 HA TYR 7 4.365 10.617 -6.810 46 HB2 TYR 7 HB2 TYR 7 1.533 11.505 -6.234 47 HB3 TYR 7 3HB TYR 7 2.963 11.842 -5.266 48 HD1 TYR 7 HD1 TYR 7 4.718 13.379 -6.169 49 HD2 TYR 7 HD2 TYR 7 0.962 12.861 -8.097 50 HE1 TYR 7 HE1 TYR 7 5.080 15.464 -7.422 51 HE2 TYR 7 HE2 TYR 7 1.314 14.943 -9.357 52 HH TYR 7 HH TYR 7 2.798 16.538 -9.899 53 H ASP 8 H ASP 8 4.229 9.645 -4.684 54 HA ASP 8 HA ASP 8 3.586 6.955 -4.704 55 HB2 ASP 8 HB2 ASP 8 5.125 7.900 -3.075 56 HB3 ASP 8 3HB ASP 8 3.818 8.818 -2.333 57 H VAL 9 H VAL 9 1.989 5.777 -3.417 58 HA VAL 9 HA VAL 9 -0.648 6.968 -3.743 59 HB VAL 9 HB VAL 9 0.212 4.154 -3.072 60 HG11 VAL 9 HG11 VAL 9 -1.869 4.552 -1.945 61 HG12 VAL 9 HG12 VAL 9 -2.559 5.300 -3.388 62 HG13 VAL 9 HG13 VAL 9 -2.188 3.575 -3.378 63 HG21 VAL 9 HG21 VAL 9 -1.241 5.126 -5.516 64 HG22 VAL 9 HG22 VAL 9 0.519 5.076 -5.422 65 HG23 VAL 9 HG23 VAL 9 -0.414 3.588 -5.272 66 H TYR 10 H TYR 10 -2.107 7.313 -2.109 67 HA TYR 10 HA TYR 10 -1.047 7.836 0.480 68 HB2 TYR 10 HB2 TYR 10 -2.821 9.229 -0.392 69 HB3 TYR 10 3HB TYR 10 -3.889 7.839 -0.555 70 HD1 TYR 10 HD1 TYR 10 -1.873 9.536 2.103 71 HD2 TYR 10 HD2 TYR 10 -5.497 7.560 1.071 72 HE1 TYR 10 HE1 TYR 10 -2.732 9.939 4.372 73 HE2 TYR 10 HE2 TYR 10 -6.366 7.958 3.336 74 HH TYR 10 HH TYR 10 -5.903 9.695 5.206 75 H THR 11 H THR 11 -0.239 5.689 0.983 76 HA THR 11 HA THR 11 -2.359 3.919 2.015 77 HB THR 11 HB THR 11 -0.627 2.065 1.766 78 HG1 THR 11 HG1 THR 11 0.539 3.693 -0.218 79 HG21 THR 11 HG21 THR 11 -1.145 2.909 -0.987 80 HG22 THR 11 HG22 THR 11 -2.564 2.981 0.058 81 HG23 THR 11 HG23 THR 11 -1.679 1.467 -0.126 82 H ASP 12 H ASP 12 -1.240 2.307 3.677 83 HA ASP 12 HA ASP 12 -0.342 2.034 5.749 84 HB2 ASP 12 HB2 ASP 12 1.517 4.331 5.145 85 HB3 ASP 12 3HB ASP 12 1.794 2.958 6.215 86 H GLY 13 H GLY 13 -2.579 3.092 6.142 87 HA2 GLY 13 HA1 GLY 13 -2.581 5.780 7.145 88 HA3 GLY 13 HA2 GLY 13 -3.895 4.619 7.269 89 H SER 14 H SER 14 -1.353 2.982 8.426 90 HA SER 14 HA SER 14 -0.620 2.391 10.498 91 HB2 SER 14 HB2 SER 14 -0.070 4.966 10.422 92 HB3 SER 14 3HB SER 14 -1.365 5.068 11.616 93 HG SER 14 HG SER 14 -0.014 4.343 13.037 94 H TYR 15 H TYR 15 -1.447 2.894 13.037 95 HA TYR 15 HA TYR 15 -4.067 1.649 13.038 96 HB2 TYR 15 HB2 TYR 15 -3.662 1.144 15.336 97 HB3 TYR 15 3HB TYR 15 -2.151 0.858 14.479 98 HD1 TYR 15 HD1 TYR 15 -0.332 2.608 14.616 99 HD2 TYR 15 HD2 TYR 15 -3.771 2.677 17.122 100 HE1 TYR 15 HE1 TYR 15 0.840 4.108 16.173 101 HE2 TYR 15 HE2 TYR 15 -2.608 4.179 18.685 102 HH TYR 15 HH TYR 15 -0.768 5.749 18.706 103 H VAL 16 H VAL 16 -5.683 2.372 14.695 104 HA VAL 16 HA VAL 16 -5.659 5.264 15.161 105 HB VAL 16 HB VAL 16 -6.901 5.083 13.117 106 HG11 VAL 16 HG11 VAL 16 -8.803 3.157 14.420 107 HG12 VAL 16 HG12 VAL 16 -8.665 3.585 12.714 108 HG13 VAL 16 HG13 VAL 16 -7.410 2.614 13.485 109 HG21 VAL 16 HG21 VAL 16 -7.765 6.614 14.847 110 HG22 VAL 16 HG22 VAL 16 -9.038 6.008 13.787 111 HG23 VAL 16 HG23 VAL 16 -8.848 5.340 15.408 112 H ASN 17 H ASN 17 -5.780 5.384 17.310 113 HA ASN 17 HA ASN 17 -6.630 5.234 19.418 114 HB2 ASN 17 HB2 ASN 17 -8.843 5.387 18.118 115 HB3 ASN 17 3HB ASN 17 -8.948 3.643 18.336 116 HD21 ASN 17 HD21 ASN 17 -10.353 6.169 19.422 117 HD22 ASN 17 HD22 ASN 17 -10.479 5.843 21.114 118 H GLY 18 H GLY 18 -7.804 2.183 17.996 119 HA2 GLY 18 HA1 GLY 18 -5.756 0.665 19.371 120 HA3 GLY 18 HA2 GLY 18 -7.374 0.461 20.025 121 H GLN 19 H GLN 19 -7.110 1.071 16.651 122 HA GLN 19 HA GLN 19 -7.428 -1.796 16.075 123 HB2 GLN 19 HB2 GLN 19 -9.334 0.340 15.664 124 HB3 GLN 19 HB3 GLN 19 -8.912 -0.421 14.136 125 HG2 GLN 19 HG2 GLN 19 -9.310 -2.612 15.620 126 HG3 GLN 19 HG3 GLN 19 -10.394 -1.495 16.446 127 HE21 GLN 19 HE21 GLN 19 -10.311 -3.785 14.171 128 HE22 GLN 19 HE22 GLN 19 -11.616 -3.274 13.159 129 H TYR 20 H TYR 20 -7.313 -2.113 13.568 130 HA TYR 20 HA TYR 20 -5.226 -0.378 12.443 131 HB2 TYR 20 HB2 TYR 20 -3.857 -2.190 11.812 132 HB3 TYR 20 3HB TYR 20 -4.322 -2.542 13.472 133 HD1 TYR 20 HD1 TYR 20 -6.160 -4.220 13.887 134 HD2 TYR 20 HD2 TYR 20 -4.380 -3.681 10.060 135 HE1 TYR 20 HE1 TYR 20 -7.019 -6.415 13.186 136 HE2 TYR 20 HE2 TYR 20 -5.235 -5.875 9.347 137 HH TYR 20 HH TYR 20 -5.924 -8.071 10.578 138 H ALA 21 H ALA 21 -5.462 0.096 10.329 139 HA ALA 21 HA ALA 21 -7.258 -1.513 8.679 140 HB1 ALA 21 HB1 ALA 21 -8.393 0.569 7.871 141 HB2 ALA 21 HB2 ALA 21 -8.767 0.118 9.535 142 HB3 ALA 21 HB3 ALA 21 -7.632 1.428 9.211 143 H TRP 22 H TRP 22 -7.243 -0.635 6.357 144 HA TRP 22 HA TRP 22 -4.673 0.588 5.665 145 HB2 TRP 22 HB2 TRP 22 -4.180 -1.104 4.004 146 HB3 TRP 22 3HB TRP 22 -4.401 -1.882 5.569 147 HD1 TRP 22 HD1 TRP 22 -5.874 -1.711 2.080 148 HE1 TRP 22 HE1 TRP 22 -7.704 -3.506 1.847 149 HE3 TRP 22 HE3 TRP 22 -6.205 -3.169 6.968 150 HZ2 TRP 22 HZ2 TRP 22 -9.103 -5.302 3.516 151 HZ3 TRP 22 HZ3 TRP 22 -7.815 -4.932 7.567 152 HH2 TRP 22 HH2 TRP 22 -9.234 -5.974 5.875 153 H ALA 23 H ALA 23 -4.815 2.026 4.048 154 HA ALA 23 HA ALA 23 -7.197 1.966 2.323 155 HB1 ALA 23 HB1 ALA 23 -7.767 4.140 2.722 156 HB2 ALA 23 HB2 ALA 23 -7.116 3.710 4.304 157 HB3 ALA 23 HB3 ALA 23 -6.123 4.609 3.157 158 H TYR 24 H TYR 24 -6.914 3.472 0.402 159 HA TYR 24 HA TYR 24 -4.237 4.080 -0.428 160 HB2 TYR 24 HB2 TYR 24 -4.514 2.558 -2.514 161 HB3 TYR 24 3HB TYR 24 -3.963 1.839 -1.006 162 HD1 TYR 24 HD1 TYR 24 -7.136 2.509 -2.865 163 HD2 TYR 24 HD2 TYR 24 -4.992 -0.096 -0.272 164 HE1 TYR 24 HE1 TYR 24 -8.988 0.893 -2.966 165 HE2 TYR 24 HE2 TYR 24 -6.837 -1.719 -0.366 166 HH TYR 24 HH TYR 24 -8.706 -2.294 -1.892 167 H ALA 25 H ALA 25 -4.164 5.372 -2.279 168 HA ALA 25 HA ALA 25 -6.754 6.509 -3.037 169 HB1 ALA 25 HB1 ALA 25 -5.412 8.261 -2.397 170 HB2 ALA 25 HB2 ALA 25 -3.949 7.524 -3.052 171 HB3 ALA 25 HB3 ALA 25 -5.137 8.243 -4.139 172 H PHE 26 H PHE 26 -7.647 5.512 -4.732 173 HA PHE 26 HA PHE 26 -5.932 4.623 -6.936 174 HB2 PHE 26 HB2 PHE 26 -8.625 3.829 -5.935 175 HB3 PHE 26 3HB PHE 26 -8.295 3.637 -7.654 176 HD1 PHE 26 HD1 PHE 26 -6.012 3.186 -4.757 177 HD2 PHE 26 HD2 PHE 26 -8.122 1.346 -7.963 178 HE1 PHE 26 HE1 PHE 26 -4.860 1.063 -4.292 179 HE2 PHE 26 HE2 PHE 26 -6.974 -0.781 -7.502 180 HZ PHE 26 HZ PHE 26 -5.339 -0.924 -5.666 181 H VAL 27 H VAL 27 -6.136 5.391 -8.994 182 HA VAL 27 HA VAL 27 -8.206 7.401 -9.526 183 HB VAL 27 HB VAL 27 -5.242 7.786 -9.753 184 HG11 VAL 27 HG11 VAL 27 -5.662 8.407 -11.909 185 HG12 VAL 27 HG12 VAL 27 -7.343 8.829 -11.577 186 HG13 VAL 27 HG13 VAL 27 -6.045 9.922 -11.091 187 HG21 VAL 27 HG21 VAL 27 -7.407 9.703 -8.914 188 HG22 VAL 27 HG22 VAL 27 -6.589 8.613 -7.795 189 HG23 VAL 27 HG23 VAL 27 -5.670 9.850 -8.651 190 H LYS 28 H LYS 28 -9.082 7.272 -11.511 191 HA LYS 28 HA LYS 28 -7.713 5.630 -13.533 192 HB2 LYS 28 HB2 LYS 28 -10.505 5.406 -12.492 193 HB3 LYS 28 HB3 LYS 28 -10.201 5.031 -14.182 194 HG2 LYS 28 HG2 LYS 28 -8.320 3.756 -12.353 195 HG3 LYS 28 HG3 LYS 28 -9.999 3.276 -12.097 196 HD2 LYS 28 HD2 LYS 28 -9.267 3.365 -14.914 197 HD3 LYS 28 HD3 LYS 28 -8.279 2.234 -13.986 198 HE2 LYS 28 HE2 LYS 28 -9.958 0.780 -13.855 199 HE3 LYS 28 HE3 LYS 28 -11.050 2.017 -13.235 200 HZ1 LYS 28 HZ1 LYS 28 -12.089 2.022 -15.172 201 HZ2 LYS 28 HZ2 LYS 28 -11.043 0.832 -15.766 202 HZ3 LYS 28 HZ3 LYS 28 -10.666 2.469 -15.971 203 H ASP 29 H ASP 29 -7.653 6.468 -15.536 204 HA ASP 29 HA ASP 29 -7.978 7.879 -17.293 205 HB2 ASP 29 HB2 ASP 29 -10.464 7.288 -16.618 206 HB3 ASP 29 3HB ASP 29 -10.495 8.974 -16.110 207 H GLY 30 H GLY 30 -7.069 8.734 -14.415 208 HA2 GLY 30 HA1 GLY 30 -5.791 10.633 -13.888 209 HA3 GLY 30 HA2 GLY 30 -6.582 11.501 -15.195 210 H LYS 31 H LYS 31 -8.488 9.718 -12.912 211 HA LYS 31 HA LYS 31 -9.009 12.058 -11.271 212 HB2 LYS 31 HB2 LYS 31 -11.508 11.769 -11.657 213 HB3 LYS 31 HB3 LYS 31 -10.594 12.521 -12.959 214 HG2 LYS 31 HG2 LYS 31 -10.488 10.247 -14.040 215 HG3 LYS 31 HG3 LYS 31 -11.656 9.712 -12.829 216 HD2 LYS 31 HD2 LYS 31 -13.166 10.350 -14.378 217 HD3 LYS 31 HD3 LYS 31 -12.863 11.962 -13.723 218 HE2 LYS 31 HE2 LYS 31 -11.771 12.645 -15.572 219 HE3 LYS 31 HE3 LYS 31 -10.984 11.085 -15.807 220 HZ1 LYS 31 HZ1 LYS 31 -13.370 10.351 -16.476 221 HZ2 LYS 31 HZ2 LYS 31 -12.396 11.167 -17.592 222 HZ3 LYS 31 HZ3 LYS 31 -13.608 12.002 -16.758 223 H VAL 32 H VAL 32 -10.388 11.563 -9.411 224 HA VAL 32 HA VAL 32 -9.619 9.259 -8.067 225 HB VAL 32 HB VAL 32 -12.124 10.868 -7.550 226 HG11 VAL 32 HG11 VAL 32 -12.156 8.796 -6.334 227 HG12 VAL 32 HG12 VAL 32 -10.497 9.043 -5.785 228 HG13 VAL 32 HG13 VAL 32 -11.785 10.104 -5.212 229 HG21 VAL 32 HG21 VAL 32 -9.399 11.648 -7.430 230 HG22 VAL 32 HG22 VAL 32 -10.825 12.563 -6.940 231 HG23 VAL 32 HG23 VAL 32 -10.002 11.521 -5.778 232 H HIS 33 H HIS 33 -10.203 7.203 -8.235 233 HA HIS 33 HA HIS 33 -12.713 6.564 -9.629 234 HB2 HIS 33 HB2 HIS 33 -10.448 5.754 -10.533 235 HB3 HIS 33 3HB HIS 33 -10.442 4.640 -9.169 236 HD1 HIS 33 HD1 HIS 33 -12.858 5.549 -11.975 237 HD2 HIS 33 HD2 HIS 33 -11.523 2.258 -9.818 238 HE1 HIS 33 HE1 HIS 33 -14.036 3.566 -12.976 239 H TYR 34 H TYR 34 -10.641 5.369 -6.986 240 HA TYR 34 HA TYR 34 -13.087 4.553 -5.567 241 HB2 TYR 34 HB2 TYR 34 -10.556 2.974 -5.983 242 HB3 TYR 34 3HB TYR 34 -11.643 2.637 -4.640 243 HD1 TYR 34 HD1 TYR 34 -14.284 2.935 -5.828 244 HD2 TYR 34 HD2 TYR 34 -10.760 1.206 -7.470 245 HE1 TYR 34 HE1 TYR 34 -15.666 1.527 -7.296 246 HE2 TYR 34 HE2 TYR 34 -12.132 -0.206 -8.943 247 HH TYR 34 HH TYR 34 -14.330 -0.290 -9.890 248 H GLU 35 H GLU 35 -12.961 4.588 -3.276 249 HA GLU 35 HA GLU 35 -10.713 5.290 -1.777 250 HB2 GLU 35 HB2 GLU 35 -11.393 7.685 -1.248 251 HB3 GLU 35 HB3 GLU 35 -10.627 7.411 -2.807 252 HG2 GLU 35 HG2 GLU 35 -12.453 8.010 -3.958 253 HG3 GLU 35 HG3 GLU 35 -13.555 7.233 -2.822 254 H ASP 36 H ASP 36 -11.618 3.803 -0.371 255 HA ASP 36 HA ASP 36 -13.727 4.869 1.335 256 HB2 ASP 36 HB2 ASP 36 -14.363 2.994 -0.596 257 HB3 ASP 36 3HB ASP 36 -14.115 2.013 0.846 258 H ALA 37 H ALA 37 -11.377 2.290 0.745 259 HA ALA 37 HA ALA 37 -9.932 1.204 2.129 260 HB1 ALA 37 HB1 ALA 37 -9.707 3.699 2.918 261 HB2 ALA 37 HB2 ALA 37 -10.484 3.080 4.375 262 HB3 ALA 37 HB3 ALA 37 -8.955 2.389 3.830 263 H ASP 38 H ASP 38 -9.813 -0.045 4.193 264 HA ASP 38 HA ASP 38 -12.389 -0.514 5.481 265 HB2 ASP 38 HB2 ASP 38 -11.342 -2.216 3.444 266 HB3 ASP 38 3HB ASP 38 -11.262 -3.080 4.978 267 H VAL 39 H VAL 39 -12.196 -1.929 7.390 268 HA VAL 39 HA VAL 39 -9.556 -1.594 8.649 269 HB VAL 39 HB VAL 39 -12.184 -2.009 10.072 270 HG11 VAL 39 HG11 VAL 39 -10.364 -2.600 11.469 271 HG12 VAL 39 HG12 VAL 39 -9.428 -1.192 10.965 272 HG13 VAL 39 HG13 VAL 39 -10.868 -0.984 11.964 273 HG21 VAL 39 HG21 VAL 39 -12.141 0.412 10.524 274 HG22 VAL 39 HG22 VAL 39 -10.761 0.575 9.439 275 HG23 VAL 39 HG23 VAL 39 -12.322 0.055 8.807 276 H GLY 40 H GLY 40 -8.792 -3.263 10.074 277 HA2 GLY 40 HA1 GLY 40 -9.820 -5.929 9.318 278 HA3 GLY 40 HA2 GLY 40 -8.129 -5.586 9.651 279 H LYS 41 H LYS 41 -9.066 -7.650 10.971 280 HA LYS 41 HA LYS 41 -8.900 -6.833 13.708 281 HB2 LYS 41 HB2 LYS 41 -11.038 -7.841 14.430 282 HB3 LYS 41 HB3 LYS 41 -11.274 -6.436 13.400 283 HG2 LYS 41 HG2 LYS 41 -11.202 -9.025 12.008 284 HG3 LYS 41 HG3 LYS 41 -12.573 -8.772 13.091 285 HD2 LYS 41 HD2 LYS 41 -12.176 -6.389 11.597 286 HD3 LYS 41 HD3 LYS 41 -12.169 -7.747 10.470 287 HE2 LYS 41 HE2 LYS 41 -14.303 -8.506 11.323 288 HE3 LYS 41 HE3 LYS 41 -14.296 -7.240 12.549 289 HZ1 LYS 41 HZ1 LYS 41 -14.760 -7.023 9.658 290 HZ2 LYS 41 HZ2 LYS 41 -14.094 -5.702 10.477 291 HZ3 LYS 41 HZ3 LYS 41 -15.604 -6.308 10.938 292 H ASN 42 H ASN 42 -7.107 -8.319 12.537 293 HA ASN 42 HA ASN 42 -7.668 -11.056 13.468 294 HB2 ASN 42 HB2 ASN 42 -6.581 -10.122 10.876 295 HB3 ASN 42 3HB ASN 42 -5.766 -11.505 11.599 296 HD21 ASN 42 HD21 ASN 42 -6.730 -12.269 9.431 297 HD22 ASN 42 HD22 ASN 42 -8.271 -13.043 9.543 298 HA PRO 43 HA PRO 43 -4.055 -10.775 15.944 299 HB2 PRO 43 HB2 PRO 43 -3.130 -13.325 15.852 300 HB3 PRO 43 HB3 PRO 43 -4.580 -12.861 16.749 301 HG2 PRO 43 HG2 PRO 43 -4.347 -14.110 14.038 302 HG3 PRO 43 HG3 PRO 43 -5.470 -14.496 15.355 303 HD2 PRO 43 HD2 PRO 43 -6.187 -12.982 13.228 304 HD3 PRO 43 HD3 PRO 43 -6.870 -12.736 14.847 305 H ALA 44 H ALA 44 -3.561 -12.546 12.898 306 HA ALA 44 HA ALA 44 -0.802 -12.436 12.743 307 HB1 ALA 44 HB1 ALA 44 -2.989 -12.622 10.747 308 HB2 ALA 44 HB2 ALA 44 -1.367 -12.252 10.158 309 HB3 ALA 44 HB3 ALA 44 -1.656 -13.730 11.077 310 H ALA 45 H ALA 45 -3.135 -9.907 12.265 311 HA ALA 45 HA ALA 45 -1.062 -8.102 11.237 312 HB1 ALA 45 HB1 ALA 45 -2.956 -6.564 10.769 313 HB2 ALA 45 HB2 ALA 45 -3.069 -8.106 9.921 314 HB3 ALA 45 HB3 ALA 45 -4.059 -7.810 11.351 315 H ALA 46 H ALA 46 -3.513 -8.340 13.795 316 HA ALA 46 HA ALA 46 -2.985 -5.928 15.090 317 HB1 ALA 46 HB1 ALA 46 -3.800 -8.466 16.486 318 HB2 ALA 46 HB2 ALA 46 -4.164 -6.803 16.951 319 HB3 ALA 46 HB3 ALA 46 -4.908 -7.499 15.511 320 H THR 47 H THR 47 -1.180 -8.872 15.012 321 HA THR 47 HA THR 47 0.271 -8.627 17.408 322 HB THR 47 HB THR 47 0.358 -10.717 16.263 323 HG1 THR 47 HG1 THR 47 2.425 -11.022 16.680 324 HG21 THR 47 HG21 THR 47 0.337 -10.820 14.039 325 HG22 THR 47 HG22 THR 47 1.995 -10.223 14.006 326 HG23 THR 47 HG23 THR 47 0.648 -9.088 13.939 327 H MET 48 H MET 48 0.687 -7.169 14.248 328 HA MET 48 HA MET 48 3.264 -6.034 14.972 329 HB2 MET 48 HB2 MET 48 1.698 -5.393 12.485 330 HB3 MET 48 HB3 MET 48 3.438 -5.312 12.734 331 HG2 MET 48 HG2 MET 48 3.143 -7.901 13.140 332 HG3 MET 48 HG3 MET 48 1.706 -7.648 12.152 333 HE1 MET 48 HE1 MET 48 5.622 -5.897 10.931 334 HE2 MET 48 HE2 MET 48 5.129 -6.359 12.560 335 HE3 MET 48 HE3 MET 48 5.991 -7.511 11.539 336 H ARG 49 H ARG 49 0.194 -5.309 15.746 337 HA ARG 49 HA ARG 49 -0.760 -3.468 16.698 338 HB2 ARG 49 HB2 ARG 49 1.722 -1.880 16.088 339 HB3 ARG 49 HB3 ARG 49 0.563 -1.645 17.389 340 HG2 ARG 49 HG2 ARG 49 1.360 -3.976 18.188 341 HG3 ARG 49 HG3 ARG 49 2.754 -3.659 17.153 342 HD2 ARG 49 HD2 ARG 49 1.780 -1.943 19.434 343 HD3 ARG 49 HD3 ARG 49 3.219 -2.961 19.430 344 HE ARG 49 HE ARG 49 3.481 -1.209 17.303 345 HH11 ARG 49 HH11 ARG 49 3.215 -1.024 20.769 346 HH12 ARG 49 HH12 ARG 49 4.149 0.431 20.893 347 HH21 ARG 49 HH21 ARG 49 4.711 0.706 17.453 348 HH22 ARG 49 HH22 ARG 49 4.997 1.415 19.007 349 H ASN 50 H ASN 50 1.351 -1.960 14.257 350 HA ASN 50 HA ASN 50 -1.029 -1.282 12.682 351 HB2 ASN 50 HB2 ASN 50 -0.572 0.999 12.595 352 HB3 ASN 50 3HB ASN 50 -0.185 0.607 14.268 353 HD21 ASN 50 HD21 ASN 50 2.172 -0.123 14.544 354 HD22 ASN 50 HD22 ASN 50 3.352 0.864 13.757 355 H VAL 51 H VAL 51 2.412 -1.812 12.885 356 HA VAL 51 HA VAL 51 3.290 -1.189 10.356 357 HB VAL 51 HB VAL 51 4.102 -3.660 11.891 358 HG11 VAL 51 HG11 VAL 51 5.239 -2.169 9.578 359 HG12 VAL 51 HG12 VAL 51 6.343 -2.926 10.727 360 HG13 VAL 51 HG13 VAL 51 5.152 -3.905 9.869 361 HG21 VAL 51 HG21 VAL 51 5.916 -2.161 12.779 362 HG22 VAL 51 HG22 VAL 51 4.998 -0.796 12.143 363 HG23 VAL 51 HG23 VAL 51 4.296 -1.825 13.391 364 H ALA 52 H ALA 52 1.295 -3.869 11.365 365 HA ALA 52 HA ALA 52 1.567 -5.350 8.923 366 HB1 ALA 52 HB1 ALA 52 0.037 -5.620 11.431 367 HB2 ALA 52 HB2 ALA 52 -0.674 -6.365 9.999 368 HB3 ALA 52 HB3 ALA 52 0.948 -6.823 10.519 369 H GLY 53 H GLY 53 -1.183 -3.587 10.375 370 HA2 GLY 53 HA1 GLY 53 -2.880 -3.713 8.172 371 HA3 GLY 53 HA2 GLY 53 -2.933 -2.463 9.406 372 H GLU 54 H GLU 54 -0.590 -1.132 9.043 373 HA GLU 54 HA GLU 54 -1.140 0.634 6.988 374 HB2 GLU 54 HB2 GLU 54 0.963 1.634 7.417 375 HB3 GLU 54 HB3 GLU 54 0.423 0.973 8.954 376 HG2 GLU 54 HG2 GLU 54 1.876 -0.961 8.638 377 HG3 GLU 54 HG3 GLU 54 2.416 -0.303 7.094 378 H ILE 55 H ILE 55 0.922 -2.226 6.971 379 HA ILE 55 HA ILE 55 1.898 -1.780 4.313 380 HB ILE 55 HB ILE 55 2.088 -4.044 6.262 381 HG12 ILE 55 HG12 ILE 55 4.342 -2.808 4.727 382 HG13 ILE 55 HG13 ILE 55 3.612 -1.912 6.054 383 HG21 ILE 55 HG21 ILE 55 2.708 -4.159 3.324 384 HG22 ILE 55 HG22 ILE 55 3.466 -5.233 4.497 385 HG23 ILE 55 HG23 ILE 55 1.716 -5.262 4.279 386 HD11 ILE 55 HD11 ILE 55 4.903 -3.016 7.463 387 HD12 ILE 55 HD12 ILE 55 4.098 -4.516 6.999 388 HD13 ILE 55 HD13 ILE 55 5.549 -3.992 6.144 389 H ALA 56 H ALA 56 -0.764 -3.530 5.758 390 HA ALA 56 HA ALA 56 -1.496 -5.284 3.778 391 HB1 ALA 56 HB1 ALA 56 -3.361 -5.556 4.981 392 HB2 ALA 56 HB2 ALA 56 -2.631 -4.409 6.106 393 HB3 ALA 56 HB3 ALA 56 -3.780 -3.845 4.893 394 H ALA 57 H ALA 57 -1.845 -1.803 3.829 395 HA ALA 57 HA ALA 57 -3.718 -1.386 1.844 396 HB1 ALA 57 HB1 ALA 57 -2.733 0.399 3.211 397 HB2 ALA 57 HB2 ALA 57 -1.221 0.238 2.316 398 HB3 ALA 57 HB3 ALA 57 -2.682 0.780 1.489 399 H ALA 58 H ALA 58 -0.196 -1.740 1.444 400 HA ALA 58 HA ALA 58 -0.055 -1.480 -1.310 401 HB1 ALA 58 HB1 ALA 58 2.071 -1.631 -0.661 402 HB2 ALA 58 HB2 ALA 58 1.646 -2.531 0.795 403 HB3 ALA 58 HB3 ALA 58 1.863 -3.380 -0.735 404 H LEU 59 H LEU 59 -0.752 -4.357 0.629 405 HA LEU 59 HA LEU 59 -0.692 -6.303 -1.328 406 HB2 LEU 59 HB2 LEU 59 -2.710 -6.128 0.901 407 HB3 LEU 59 3HB LEU 59 -2.191 -7.586 0.058 408 HG LEU 59 HG LEU 59 -0.760 -5.991 2.144 409 HD11 LEU 59 HD11 LEU 59 -2.070 -7.881 2.876 410 HD12 LEU 59 HD12 LEU 59 -0.354 -8.248 3.050 411 HD13 LEU 59 HD13 LEU 59 -1.268 -8.929 1.705 412 HD21 LEU 59 HD21 LEU 59 1.291 -7.273 1.604 413 HD22 LEU 59 HD22 LEU 59 0.851 -6.101 0.362 414 HD23 LEU 59 HD23 LEU 59 0.518 -7.817 0.114 415 H TYR 60 H TYR 60 -3.711 -4.800 -0.169 416 HA TYR 60 HA TYR 60 -5.257 -5.665 -2.351 417 HB2 TYR 60 HB2 TYR 60 -5.706 -3.359 -0.446 418 HB3 TYR 60 3HB TYR 60 -6.916 -3.982 -1.563 419 HD1 TYR 60 HD1 TYR 60 -4.836 -4.878 1.374 420 HD2 TYR 60 HD2 TYR 60 -8.225 -5.862 -1.001 421 HE1 TYR 60 HE1 TYR 60 -5.531 -6.525 3.061 422 HE2 TYR 60 HE2 TYR 60 -8.931 -7.513 0.679 423 HH TYR 60 HH TYR 60 -6.902 -8.545 3.206 424 H ALA 61 H ALA 61 -3.363 -2.762 -1.814 425 HA ALA 61 HA ALA 61 -4.337 -1.154 -3.871 426 HB1 ALA 61 HB1 ALA 61 -2.791 -0.375 -2.129 427 HB2 ALA 61 HB2 ALA 61 -1.495 -1.312 -2.873 428 HB3 ALA 61 HB3 ALA 61 -2.225 0.033 -3.748 429 H VAL 62 H VAL 62 -1.783 -3.617 -3.930 430 HA VAL 62 HA VAL 62 -1.208 -3.225 -6.714 431 HB VAL 62 HB VAL 62 -0.427 -5.451 -4.829 432 HG11 VAL 62 HG11 VAL 62 -0.410 -6.294 -7.088 433 HG12 VAL 62 HG12 VAL 62 0.490 -4.882 -7.644 434 HG13 VAL 62 HG13 VAL 62 1.249 -6.039 -6.549 435 HG21 VAL 62 HG21 VAL 62 1.338 -3.294 -5.944 436 HG22 VAL 62 HG22 VAL 62 0.428 -3.073 -4.450 437 HG23 VAL 62 HG23 VAL 62 1.632 -4.357 -4.568 438 H LYS 63 H LYS 63 -2.876 -5.742 -4.835 439 HA LYS 63 HA LYS 63 -3.537 -7.485 -6.867 440 HB2 LYS 63 HB2 LYS 63 -5.144 -6.715 -4.426 441 HB3 LYS 63 HB3 LYS 63 -5.523 -8.087 -5.460 442 HG2 LYS 63 HG2 LYS 63 -3.545 -9.218 -4.849 443 HG3 LYS 63 HG3 LYS 63 -2.864 -7.773 -4.097 444 HD2 LYS 63 HD2 LYS 63 -3.754 -8.371 -2.151 445 HD3 LYS 63 HD3 LYS 63 -5.367 -8.301 -2.865 446 HE2 LYS 63 HE2 LYS 63 -5.057 -10.621 -3.676 447 HE3 LYS 63 HE3 LYS 63 -3.506 -10.675 -2.841 448 HZ1 LYS 63 HZ1 LYS 63 -4.494 -11.004 -0.885 449 HZ2 LYS 63 HZ2 LYS 63 -5.875 -11.410 -1.774 450 HZ3 LYS 63 HZ3 LYS 63 -5.691 -9.842 -1.166 451 H LYS 64 H LYS 64 -5.269 -4.571 -5.830 452 HA LYS 64 HA LYS 64 -7.367 -4.883 -7.750 453 HB2 LYS 64 HB2 LYS 64 -6.515 -2.509 -6.084 454 HB3 LYS 64 HB3 LYS 64 -7.958 -2.546 -7.088 455 HG2 LYS 64 HG2 LYS 64 -7.912 -4.832 -5.357 456 HG3 LYS 64 HG3 LYS 64 -7.701 -3.351 -4.420 457 HD2 LYS 64 HD2 LYS 64 -9.801 -2.643 -4.831 458 HD3 LYS 64 HD3 LYS 64 -9.776 -3.221 -6.499 459 HE2 LYS 64 HE2 LYS 64 -11.352 -4.608 -5.542 460 HE3 LYS 64 HE3 LYS 64 -9.885 -5.576 -5.396 461 HZ1 LYS 64 HZ1 LYS 64 -11.471 -4.281 -3.324 462 HZ2 LYS 64 HZ2 LYS 64 -9.794 -4.264 -3.104 463 HZ3 LYS 64 HZ3 LYS 64 -10.609 -5.737 -3.277 464 H ALA 65 H ALA 65 -4.264 -3.287 -7.680 465 HA ALA 65 HA ALA 65 -4.485 -1.460 -9.731 466 HB1 ALA 65 HB1 ALA 65 -2.409 -2.551 -8.235 467 HB2 ALA 65 HB2 ALA 65 -1.975 -2.874 -9.913 468 HB3 ALA 65 HB3 ALA 65 -2.301 -1.222 -9.389 469 H SER 66 H SER 66 -4.249 -4.946 -9.910 470 HA SER 66 HA SER 66 -3.738 -5.036 -12.729 471 HB2 SER 66 HB2 SER 66 -2.985 -6.947 -11.612 472 HB3 SER 66 3HB SER 66 -4.453 -7.077 -10.643 473 HG SER 66 HG SER 66 -4.111 -7.682 -13.388 474 H GLN 67 H GLN 67 -6.579 -5.112 -10.680 475 HA GLN 67 HA GLN 67 -8.446 -6.002 -12.581 476 HB2 GLN 67 HB2 GLN 67 -8.733 -4.277 -10.126 477 HB3 GLN 67 HB3 GLN 67 -10.110 -4.771 -11.101 478 HG2 GLN 67 HG2 GLN 67 -9.302 -7.159 -10.725 479 HG3 GLN 67 HG3 GLN 67 -8.268 -6.480 -9.469 480 HE21 GLN 67 HE21 GLN 67 -9.506 -4.956 -7.950 481 HE22 GLN 67 HE22 GLN 67 -11.023 -5.548 -7.375 482 H LEU 68 H LEU 68 -7.090 -2.838 -11.923 483 HA LEU 68 HA LEU 68 -8.873 -1.585 -13.866 484 HB2 LEU 68 HB2 LEU 68 -6.669 -0.198 -12.384 485 HB3 LEU 68 3HB LEU 68 -8.152 0.484 -13.050 486 HG LEU 68 HG LEU 68 -8.977 -1.359 -11.108 487 HD11 LEU 68 HD11 LEU 68 -7.217 0.446 -9.609 488 HD12 LEU 68 HD12 LEU 68 -6.388 -0.836 -10.492 489 HD13 LEU 68 HD13 LEU 68 -7.636 -1.243 -9.315 490 HD21 LEU 68 HD21 LEU 68 -8.751 1.647 -11.019 491 HD22 LEU 68 HD22 LEU 68 -9.742 0.665 -9.941 492 HD23 LEU 68 HD23 LEU 68 -10.100 0.715 -11.668 493 H GLY 69 H GLY 69 -6.194 -3.366 -14.090 494 HA2 GLY 69 HA1 GLY 69 -4.554 -3.611 -15.676 495 HA3 GLY 69 HA2 GLY 69 -5.564 -2.607 -16.707 496 H VAL 70 H VAL 70 -4.554 -1.234 -13.725 497 HA VAL 70 HA VAL 70 -2.617 0.441 -15.183 498 HB VAL 70 HB VAL 70 -3.080 2.231 -13.675 499 HG11 VAL 70 HG11 VAL 70 -5.840 1.198 -14.118 500 HG12 VAL 70 HG12 VAL 70 -5.178 2.809 -14.404 501 HG13 VAL 70 HG13 VAL 70 -4.802 1.489 -15.513 502 HG21 VAL 70 HG21 VAL 70 -3.433 1.619 -11.545 503 HG22 VAL 70 HG22 VAL 70 -5.133 1.558 -12.010 504 HG23 VAL 70 HG23 VAL 70 -4.166 0.083 -12.004 505 H LYS 71 H LYS 71 -1.266 1.630 -13.188 506 HA LYS 71 HA LYS 71 -0.146 -0.537 -11.548 507 HB2 LYS 71 HB2 LYS 71 1.566 1.499 -12.971 508 HB3 LYS 71 HB3 LYS 71 2.098 0.068 -12.098 509 HG2 LYS 71 HG2 LYS 71 2.233 -0.853 -14.129 510 HG3 LYS 71 HG3 LYS 71 0.482 -1.033 -13.983 511 HD2 LYS 71 HD2 LYS 71 0.050 0.744 -15.384 512 HD3 LYS 71 HD3 LYS 71 1.597 1.523 -15.048 513 HE2 LYS 71 HE2 LYS 71 1.958 0.744 -17.177 514 HE3 LYS 71 HE3 LYS 71 2.573 -0.604 -16.223 515 HZ1 LYS 71 HZ1 LYS 71 0.653 -1.853 -16.632 516 HZ2 LYS 71 HZ2 LYS 71 1.033 -1.163 -18.129 517 HZ3 LYS 71 HZ3 LYS 71 -0.220 -0.517 -17.194 518 H ILE 72 H ILE 72 1.837 0.827 -10.270 519 HA ILE 72 HA ILE 72 0.576 3.204 -9.102 520 HB ILE 72 HB ILE 72 1.086 2.444 -6.831 521 HG12 ILE 72 HG12 ILE 72 1.944 -0.087 -8.239 522 HG13 ILE 72 HG13 ILE 72 2.922 0.948 -7.204 523 HG21 ILE 72 HG21 ILE 72 -0.934 1.504 -6.652 524 HG22 ILE 72 HG22 ILE 72 -1.023 1.673 -8.405 525 HG23 ILE 72 HG23 ILE 72 -0.495 0.150 -7.693 526 HD11 ILE 72 HD11 ILE 72 1.148 -1.236 -6.513 527 HD12 ILE 72 HD12 ILE 72 2.444 -0.487 -5.580 528 HD13 ILE 72 HD13 ILE 72 0.828 0.222 -5.575 529 H ARG 73 H ARG 73 2.244 4.008 -7.268 530 HA ARG 73 HA ARG 73 4.421 5.080 -8.591 531 HB2 ARG 73 HB2 ARG 73 5.102 5.960 -6.541 532 HB3 ARG 73 HB3 ARG 73 3.374 5.719 -6.318 533 HG2 ARG 73 HG2 ARG 73 5.535 3.852 -5.362 534 HG3 ARG 73 HG3 ARG 73 4.664 5.018 -4.363 535 HD2 ARG 73 HD2 ARG 73 2.558 3.869 -4.882 536 HD3 ARG 73 HD3 ARG 73 3.446 2.695 -5.853 537 HE ARG 73 HE ARG 73 4.636 2.575 -3.407 538 HH11 ARG 73 HH11 ARG 73 1.367 2.245 -4.557 539 HH12 ARG 73 HH12 ARG 73 0.901 1.141 -3.306 540 HH21 ARG 73 HH21 ARG 73 4.034 1.121 -1.756 541 HH22 ARG 73 HH22 ARG 73 2.418 0.503 -1.713 542 H ILE 74 H ILE 74 6.635 4.634 -8.619 543 HA ILE 74 HA ILE 74 7.916 2.524 -7.322 544 HB ILE 74 HB ILE 74 6.612 0.953 -8.534 545 HG12 ILE 74 HG12 ILE 74 8.285 -0.247 -9.815 546 HG13 ILE 74 HG13 ILE 74 9.221 1.228 -10.041 547 HG21 ILE 74 HG21 ILE 74 5.765 2.491 -10.245 548 HG22 ILE 74 HG22 ILE 74 7.331 2.444 -11.054 549 HG23 ILE 74 HG23 ILE 74 6.348 0.984 -10.952 550 HD11 ILE 74 HD11 ILE 74 9.596 -0.661 -8.079 551 HD12 ILE 74 HD12 ILE 74 10.254 0.975 -8.094 552 HD13 ILE 74 HD13 ILE 74 8.747 0.639 -7.243 553 H LEU 75 H LEU 75 7.689 4.496 -10.220 554 HA LEU 75 HA LEU 75 10.240 4.307 -11.237 555 HB2 LEU 75 HB2 LEU 75 8.028 6.013 -11.550 556 HB3 LEU 75 3HB LEU 75 9.415 7.057 -11.248 557 HG LEU 75 HG LEU 75 9.058 6.777 -13.629 558 HD11 LEU 75 HD11 LEU 75 11.256 6.907 -13.873 559 HD12 LEU 75 HD12 LEU 75 11.410 5.167 -13.638 560 HD13 LEU 75 HD13 LEU 75 11.463 6.253 -12.249 561 HD21 LEU 75 HD21 LEU 75 8.071 4.390 -13.203 562 HD22 LEU 75 HD22 LEU 75 9.738 3.877 -13.466 563 HD23 LEU 75 HD23 LEU 75 8.878 4.765 -14.725 564 H HIS 76 H HIS 76 9.100 6.492 -8.673 565 HA HIS 76 HA HIS 76 11.703 6.459 -7.435 566 HB2 HIS 76 HB2 HIS 76 10.668 8.879 -8.869 567 HB3 HIS 76 3HB HIS 76 11.657 9.077 -7.425 568 HD1 HIS 76 HD1 HIS 76 14.062 7.732 -7.592 569 HD2 HIS 76 HD2 HIS 76 12.113 8.655 -11.143 570 HE1 HIS 76 HE1 HIS 76 15.821 7.579 -9.383 571 H ASP 77 H ASP 77 9.535 5.440 -6.330 572 HA ASP 77 HA ASP 77 7.981 7.304 -4.823 573 HB2 ASP 77 HB2 ASP 77 7.078 5.111 -5.386 574 HB3 ASP 77 3HB ASP 77 8.369 4.322 -4.483 575 H TYR 78 H TYR 78 10.372 4.867 -3.776 576 HA TYR 78 HA TYR 78 11.759 4.778 -1.975 577 HB2 TYR 78 HB2 TYR 78 12.387 7.039 -3.257 578 HB3 TYR 78 3HB TYR 78 11.849 7.742 -1.735 579 HD1 TYR 78 HD1 TYR 78 14.368 5.609 -3.340 580 HD2 TYR 78 HD2 TYR 78 13.120 7.431 0.296 581 HE1 TYR 78 HE1 TYR 78 16.566 5.123 -2.348 582 HE2 TYR 78 HE2 TYR 78 15.314 6.952 1.298 583 HH TYR 78 HH TYR 78 17.240 5.799 1.049 584 H ALA 79 H ALA 79 8.808 5.115 -1.596 585 HA ALA 79 HA ALA 79 8.314 6.676 0.702 586 HB1 ALA 79 HB1 ALA 79 6.390 6.128 -0.444 587 HB2 ALA 79 HB2 ALA 79 6.870 4.444 -0.661 588 HB3 ALA 79 HB3 ALA 79 6.324 5.009 0.918 589 H GLY 80 H GLY 80 7.192 5.264 2.641 590 HA2 GLY 80 HA1 GLY 80 9.285 4.366 4.220 591 HA3 GLY 80 HA2 GLY 80 7.594 3.981 4.502 592 H ILE 81 H ILE 81 7.181 2.515 2.080 593 HA ILE 81 HA ILE 81 7.742 -0.059 2.876 594 HB ILE 81 HB ILE 81 7.472 0.870 0.016 595 HG12 ILE 81 HG12 ILE 81 5.596 1.643 1.375 596 HG13 ILE 81 HG13 ILE 81 5.075 0.350 0.301 597 HG21 ILE 81 HG21 ILE 81 7.651 -1.261 -0.569 598 HG22 ILE 81 HG22 ILE 81 7.996 -1.682 1.107 599 HG23 ILE 81 HG23 ILE 81 6.333 -1.691 0.520 600 HD11 ILE 81 HD11 ILE 81 5.103 -1.227 2.113 601 HD12 ILE 81 HD12 ILE 81 5.772 -0.012 3.203 602 HD13 ILE 81 HD13 ILE 81 4.137 0.176 2.568 603 H ALA 82 H ALA 82 9.748 2.150 1.045 604 HA ALA 82 HA ALA 82 11.694 0.160 0.323 605 HB1 ALA 82 HB1 ALA 82 11.160 2.892 -0.339 606 HB2 ALA 82 HB2 ALA 82 12.852 2.715 0.128 607 HB3 ALA 82 HB3 ALA 82 12.188 1.723 -1.171 608 H PHE 83 H PHE 83 11.287 2.523 2.884 609 HA PHE 83 HA PHE 83 13.848 2.610 3.934 610 HB2 PHE 83 HB2 PHE 83 11.240 3.397 4.758 611 HB3 PHE 83 3HB PHE 83 11.993 2.549 6.105 612 HD1 PHE 83 HD1 PHE 83 14.401 3.294 6.720 613 HD2 PHE 83 HD2 PHE 83 11.691 5.632 4.417 614 HE1 PHE 83 HE1 PHE 83 15.677 5.320 7.282 615 HE2 PHE 83 HE2 PHE 83 12.964 7.662 4.975 616 HZ PHE 83 HZ PHE 83 14.960 7.508 6.410 617 H TRP 84 H TRP 84 11.205 0.424 4.910 618 HA TRP 84 HA TRP 84 12.887 -1.147 6.592 619 HB2 TRP 84 HB2 TRP 84 10.872 -1.745 7.353 620 HB3 TRP 84 3HB TRP 84 10.092 -0.986 5.968 621 HD1 TRP 84 HD1 TRP 84 11.778 -4.374 6.830 622 HE1 TRP 84 HE1 TRP 84 10.554 -6.221 5.521 623 HE3 TRP 84 HE3 TRP 84 8.512 -1.463 4.187 624 HZ2 TRP 84 HZ2 TRP 84 8.478 -6.417 3.618 625 HZ3 TRP 84 HZ3 TRP 84 6.940 -2.558 2.643 626 HH2 TRP 84 HH2 TRP 84 6.925 -4.983 2.366 627 H ALA 85 H ALA 85 11.875 -1.328 3.249 628 HA ALA 85 HA ALA 85 12.472 -3.965 2.640 629 HB1 ALA 85 HB1 ALA 85 11.399 -2.694 0.981 630 HB2 ALA 85 HB2 ALA 85 12.655 -1.456 0.998 631 HB3 ALA 85 HB3 ALA 85 12.997 -3.050 0.325 632 H THR 86 H THR 86 14.610 -1.273 3.217 633 HA THR 86 HA THR 86 16.951 -2.332 2.049 634 HB THR 86 HB THR 86 18.175 -0.679 3.273 635 HG1 THR 86 HG1 THR 86 17.131 0.477 5.001 636 HG21 THR 86 HG21 THR 86 15.767 0.958 3.071 637 HG22 THR 86 HG22 THR 86 16.029 -0.066 1.658 638 HG23 THR 86 HG23 THR 86 17.283 1.062 2.177 639 H GLY 87 H GLY 87 15.312 -3.003 5.025 640 HA2 GLY 87 HA1 GLY 87 17.557 -4.146 6.391 641 HA3 GLY 87 HA2 GLY 87 15.867 -4.305 6.848 642 H GLU 88 H GLU 88 18.239 -5.479 4.477 643 HA GLU 88 HA GLU 88 16.802 -7.644 3.499 644 HB2 GLU 88 HB2 GLU 88 19.717 -7.040 3.764 645 HB3 GLU 88 HB3 GLU 88 19.226 -8.652 3.267 646 HG2 GLU 88 HG2 GLU 88 17.834 -7.499 1.475 647 HG3 GLU 88 HG3 GLU 88 18.749 -6.044 1.869 648 H TRP 89 H TRP 89 18.392 -7.222 6.545 649 HA TRP 89 HA TRP 89 18.190 -10.069 7.177 650 HB2 TRP 89 HB2 TRP 89 19.607 -7.735 8.390 651 HB3 TRP 89 3HB TRP 89 19.200 -9.100 9.426 652 HD1 TRP 89 HD1 TRP 89 20.768 -8.851 5.869 653 HE1 TRP 89 HE1 TRP 89 22.829 -10.391 5.815 654 HE3 TRP 89 HE3 TRP 89 20.606 -10.594 10.673 655 HZ2 TRP 89 HZ2 TRP 89 24.204 -12.118 7.575 656 HZ3 TRP 89 HZ3 TRP 89 22.330 -12.187 11.407 657 HH2 TRP 89 HH2 TRP 89 24.091 -12.933 9.889 658 H LYS 90 H LYS 90 16.410 -10.834 8.084 659 HA LYS 90 HA LYS 90 14.370 -9.112 9.112 660 HB2 LYS 90 HB2 LYS 90 13.230 -11.284 9.681 661 HB3 LYS 90 HB3 LYS 90 13.657 -11.088 7.986 662 HG2 LYS 90 HG2 LYS 90 15.849 -12.346 9.216 663 HG3 LYS 90 HG3 LYS 90 14.399 -13.157 9.810 664 HD2 LYS 90 HD2 LYS 90 13.734 -13.797 7.670 665 HD3 LYS 90 HD3 LYS 90 14.746 -12.582 6.889 666 HE2 LYS 90 HE2 LYS 90 16.302 -14.143 6.607 667 HE3 LYS 90 HE3 LYS 90 16.495 -14.205 8.358 668 HZ1 LYS 90 HZ1 LYS 90 15.143 -16.041 8.530 669 HZ2 LYS 90 HZ2 LYS 90 15.928 -16.348 7.064 670 HZ3 LYS 90 HZ3 LYS 90 14.347 -15.748 7.067 671 H ALA 91 H ALA 91 15.305 -8.032 10.870 672 HA ALA 91 HA ALA 91 16.436 -9.479 13.079 673 HB1 ALA 91 HB1 ALA 91 16.478 -7.259 14.186 674 HB2 ALA 91 HB2 ALA 91 17.261 -7.271 12.605 675 HB3 ALA 91 HB3 ALA 91 15.646 -6.585 12.785 676 H LYS 92 H LYS 92 13.434 -7.634 12.567 677 HA LYS 92 HA LYS 92 12.362 -8.633 15.086 678 HB2 LYS 92 HB2 LYS 92 11.798 -6.393 13.291 679 HB3 LYS 92 HB3 LYS 92 10.344 -7.195 13.870 680 HG2 LYS 92 HG2 LYS 92 11.674 -6.976 16.184 681 HG3 LYS 92 HG3 LYS 92 12.331 -5.578 15.330 682 HD2 LYS 92 HD2 LYS 92 9.827 -5.100 14.769 683 HD3 LYS 92 HD3 LYS 92 9.515 -6.149 16.155 684 HE2 LYS 92 HE2 LYS 92 11.528 -3.999 16.496 685 HE3 LYS 92 HE3 LYS 92 9.838 -3.511 16.383 686 HZ1 LYS 92 HZ1 LYS 92 9.342 -4.440 18.362 687 HZ2 LYS 92 HZ2 LYS 92 10.990 -4.203 18.660 688 HZ3 LYS 92 HZ3 LYS 92 10.429 -5.724 18.178 689 H ASN 93 H ASN 93 11.688 -8.807 11.614 690 HA ASN 93 HA ASN 93 10.496 -10.287 10.365 691 HB2 ASN 93 HB2 ASN 93 11.803 -12.033 11.352 692 HB3 ASN 93 3HB ASN 93 10.874 -11.967 12.846 693 HD21 ASN 93 HD21 ASN 93 10.724 -12.794 9.437 694 HD22 ASN 93 HD22 ASN 93 9.433 -13.933 9.580 695 H GLU 94 H GLU 94 9.097 -11.451 13.376 696 HA GLU 94 HA GLU 94 6.971 -11.436 14.184 697 HB2 GLU 94 HB2 GLU 94 7.283 -9.063 14.467 698 HB3 GLU 94 HB3 GLU 94 6.937 -8.769 12.768 699 HG2 GLU 94 HG2 GLU 94 5.105 -8.256 14.455 700 HG3 GLU 94 HG3 GLU 94 4.663 -9.194 13.029 701 H PHE 95 H PHE 95 6.067 -9.603 11.323 702 HA PHE 95 HA PHE 95 4.989 -11.980 10.033 703 HB2 PHE 95 HB2 PHE 95 3.356 -10.387 11.650 704 HB3 PHE 95 3HB PHE 95 2.986 -9.885 10.004 705 HD1 PHE 95 HD1 PHE 95 2.049 -11.473 8.401 706 HD2 PHE 95 HD2 PHE 95 2.779 -12.565 12.450 707 HE1 PHE 95 HE1 PHE 95 0.607 -13.446 8.125 708 HE2 PHE 95 HE2 PHE 95 1.338 -14.542 12.180 709 HZ PHE 95 HZ PHE 95 0.250 -14.984 10.016 710 H THR 96 H THR 96 6.885 -9.510 9.710 711 HA THR 96 HA THR 96 5.875 -8.180 7.379 712 HB THR 96 HB THR 96 8.778 -8.067 7.776 713 HG1 THR 96 HG1 THR 96 8.238 -6.661 9.750 714 HG21 THR 96 HG21 THR 96 8.321 -5.649 7.743 715 HG22 THR 96 HG22 THR 96 6.590 -5.984 7.768 716 HG23 THR 96 HG23 THR 96 7.563 -6.477 6.384 717 H GLN 97 H GLN 97 7.972 -10.913 8.010 718 HA GLN 97 HA GLN 97 9.261 -11.216 5.593 719 HB2 GLN 97 HB2 GLN 97 8.805 -12.799 7.887 720 HB3 GLN 97 HB3 GLN 97 8.364 -13.789 6.502 721 HG2 GLN 97 HG2 GLN 97 10.805 -12.483 5.898 722 HG3 GLN 97 HG3 GLN 97 10.943 -13.189 7.508 723 HE21 GLN 97 HE21 GLN 97 9.140 -14.287 4.672 724 HE22 GLN 97 HE22 GLN 97 9.944 -15.810 4.531 725 H ALA 98 H ALA 98 6.020 -12.351 6.491 726 HA ALA 98 HA ALA 98 5.402 -13.676 4.109 727 HB1 ALA 98 HB1 ALA 98 3.459 -14.072 5.124 728 HB2 ALA 98 HB2 ALA 98 4.100 -13.164 6.493 729 HB3 ALA 98 HB3 ALA 98 3.103 -12.353 5.286 730 H TYR 99 H TYR 99 4.911 -10.292 5.047 731 HA TYR 99 HA TYR 99 3.450 -9.401 2.879 732 HB2 TYR 99 HB2 TYR 99 5.552 -8.002 4.532 733 HB3 TYR 99 3HB TYR 99 4.593 -7.172 3.312 734 HD1 TYR 99 HD1 TYR 99 1.983 -8.657 3.818 735 HD2 TYR 99 HD2 TYR 99 4.786 -6.844 6.456 736 HE1 TYR 99 HE1 TYR 99 0.191 -8.298 5.464 737 HE2 TYR 99 HE2 TYR 99 3.003 -6.481 8.110 738 HH TYR 99 HH TYR 99 0.584 -7.796 8.528 739 H ALA 100 H ALA 100 6.895 -10.024 3.133 740 HA ALA 100 HA ALA 100 7.602 -8.824 0.646 741 HB1 ALA 100 HB1 ALA 100 9.694 -10.299 0.970 742 HB2 ALA 100 HB2 ALA 100 9.380 -9.008 2.130 743 HB3 ALA 100 HB3 ALA 100 8.992 -10.678 2.543 744 H LYS 101 H LYS 101 6.437 -11.960 1.613 745 HA LYS 101 HA LYS 101 7.173 -13.318 -0.795 746 HB2 LYS 101 HB2 LYS 101 5.015 -14.119 1.158 747 HB3 LYS 101 HB3 LYS 101 5.893 -15.162 0.048 748 HG2 LYS 101 HG2 LYS 101 7.956 -14.206 1.448 749 HG3 LYS 101 HG3 LYS 101 6.694 -14.086 2.676 750 HD2 LYS 101 HD2 LYS 101 6.393 -16.355 2.786 751 HD3 LYS 101 HD3 LYS 101 6.914 -16.612 1.118 752 HE2 LYS 101 HE2 LYS 101 9.085 -15.537 2.639 753 HE3 LYS 101 HE3 LYS 101 8.416 -16.930 3.487 754 HZ1 LYS 101 HZ1 LYS 101 9.738 -18.075 2.110 755 HZ2 LYS 101 HZ2 LYS 101 9.874 -16.812 0.994 756 HZ3 LYS 101 HZ3 LYS 101 8.520 -17.825 0.964 757 H LEU 102 H LEU 102 4.184 -11.859 0.434 758 HA LEU 102 HA LEU 102 2.446 -12.594 -1.593 759 HB2 LEU 102 HB2 LEU 102 2.465 -9.917 -0.214 760 HB3 LEU 102 3HB LEU 102 1.084 -10.729 -0.948 761 HG LEU 102 HG LEU 102 2.551 -11.630 1.530 762 HD11 LEU 102 HD11 LEU 102 -0.282 -10.669 1.390 763 HD12 LEU 102 HD12 LEU 102 1.054 -9.538 1.601 764 HD13 LEU 102 HD13 LEU 102 0.780 -10.811 2.791 765 HD21 LEU 102 HD21 LEU 102 0.064 -12.730 0.225 766 HD22 LEU 102 HD22 LEU 102 0.785 -13.288 1.735 767 HD23 LEU 102 HD23 LEU 102 1.653 -13.496 0.213 768 H MET 103 H MET 103 5.101 -10.422 -1.696 769 HA MET 103 HA MET 103 4.417 -8.623 -3.671 770 HB2 MET 103 HB2 MET 103 6.544 -8.555 -2.452 771 HB3 MET 103 HB3 MET 103 7.080 -10.004 -3.290 772 HG2 MET 103 HG2 MET 103 6.388 -8.287 -5.335 773 HG3 MET 103 HG3 MET 103 7.138 -7.236 -4.136 774 HE1 MET 103 HE1 MET 103 9.276 -9.496 -7.225 775 HE2 MET 103 HE2 MET 103 7.539 -9.619 -6.944 776 HE3 MET 103 HE3 MET 103 8.276 -8.043 -7.236 777 H ASN 104 H ASN 104 6.246 -11.626 -4.290 778 HA ASN 104 HA ASN 104 5.951 -11.587 -7.063 779 HB2 ASN 104 HB2 ASN 104 7.610 -13.002 -6.039 780 HB3 ASN 104 3HB ASN 104 6.373 -13.910 -5.176 781 HD21 ASN 104 HD21 ASN 104 5.077 -15.368 -6.310 782 HD22 ASN 104 HD22 ASN 104 5.533 -15.972 -7.863 783 H GLN 105 H GLN 105 3.821 -12.758 -4.555 784 HA GLN 105 HA GLN 105 2.137 -14.421 -5.988 785 HB2 GLN 105 HB2 GLN 105 2.146 -13.251 -3.448 786 HB3 GLN 105 HB3 GLN 105 0.630 -12.738 -4.176 787 HG2 GLN 105 HG2 GLN 105 1.507 -15.606 -4.153 788 HG3 GLN 105 HG3 GLN 105 0.600 -14.880 -2.827 789 HE21 GLN 105 HE21 GLN 105 -1.252 -13.381 -3.942 790 HE22 GLN 105 HE22 GLN 105 -2.284 -14.294 -4.984 791 H TYR 106 H TYR 106 1.881 -10.900 -5.548 792 HA TYR 106 HA TYR 106 0.008 -10.842 -7.823 793 HB2 TYR 106 HB2 TYR 106 -0.629 -8.559 -6.823 794 HB3 TYR 106 3HB TYR 106 -1.181 -10.001 -5.980 795 HD1 TYR 106 HD1 TYR 106 1.866 -7.826 -5.989 796 HD2 TYR 106 HD2 TYR 106 -1.042 -9.910 -3.688 797 HE1 TYR 106 HE1 TYR 106 2.930 -7.018 -3.924 798 HE2 TYR 106 HE2 TYR 106 0.013 -9.108 -1.615 799 HH TYR 106 HH TYR 106 2.805 -6.919 -1.705 800 H ARG 107 H ARG 107 2.969 -10.816 -7.865 801 HA ARG 107 HA ARG 107 3.749 -8.138 -8.562 802 HB2 ARG 107 HB2 ARG 107 5.486 -9.440 -7.659 803 HB3 ARG 107 HB3 ARG 107 5.102 -10.820 -8.679 804 HG2 ARG 107 HG2 ARG 107 5.827 -8.452 -10.206 805 HG3 ARG 107 HG3 ARG 107 7.104 -8.994 -9.114 806 HD2 ARG 107 HD2 ARG 107 7.215 -11.110 -10.118 807 HD3 ARG 107 HD3 ARG 107 5.660 -10.905 -10.922 808 HE ARG 107 HE ARG 107 7.561 -8.970 -11.790 809 HH11 ARG 107 HH11 ARG 107 6.586 -12.292 -12.165 810 HH12 ARG 107 HH12 ARG 107 7.225 -12.434 -13.769 811 HH21 ARG 107 HH21 ARG 107 8.405 -9.146 -13.902 812 HH22 ARG 107 HH22 ARG 107 8.260 -10.645 -14.756 813 H GLY 108 H GLY 108 3.631 -7.185 -10.496 814 HA2 GLY 108 HA1 GLY 108 4.101 -8.098 -12.981 815 HA3 GLY 108 HA2 GLY 108 2.456 -8.648 -12.705 816 H ILE 109 H ILE 109 1.986 -6.216 -10.984 817 HA ILE 109 HA ILE 109 1.479 -4.366 -13.211 818 HB ILE 109 HB ILE 109 -0.165 -3.323 -11.547 819 HG12 ILE 109 HG12 ILE 109 0.970 -4.880 -9.703 820 HG13 ILE 109 HG13 ILE 109 -0.721 -4.398 -9.602 821 HG21 ILE 109 HG21 ILE 109 -0.499 -6.003 -12.843 822 HG22 ILE 109 HG22 ILE 109 -1.832 -5.241 -11.976 823 HG23 ILE 109 HG23 ILE 109 -1.104 -4.431 -13.364 824 HD11 ILE 109 HD11 ILE 109 -0.270 -6.810 -9.154 825 HD12 ILE 109 HD12 ILE 109 -1.448 -6.500 -10.429 826 HD13 ILE 109 HD13 ILE 109 0.198 -6.973 -10.845 827 H TYR 110 H TYR 110 2.877 -4.630 -10.010 828 HA TYR 110 HA TYR 110 4.007 -1.932 -10.352 829 HB2 TYR 110 HB2 TYR 110 3.525 -1.312 -8.195 830 HB3 TYR 110 3HB TYR 110 2.152 -2.368 -8.505 831 HD1 TYR 110 HD1 TYR 110 2.817 -4.985 -8.013 832 HD2 TYR 110 HD2 TYR 110 4.482 -1.557 -6.120 833 HE1 TYR 110 HE1 TYR 110 3.433 -6.364 -6.073 834 HE2 TYR 110 HE2 TYR 110 5.105 -2.927 -4.175 835 HH TYR 110 HH TYR 110 4.569 -4.974 -3.118 836 H SER 111 H SER 111 5.874 -1.692 -8.609 837 HA SER 111 HA SER 111 7.418 -4.142 -8.322 838 HB2 SER 111 HB2 SER 111 9.194 -2.134 -9.362 839 HB3 SER 111 3HB SER 111 8.871 -3.753 -9.982 840 HG SER 111 HG SER 111 7.435 -2.961 -11.360 841 H PHE 112 H PHE 112 9.427 -3.772 -7.053 842 HA PHE 112 HA PHE 112 9.805 -1.348 -5.622 843 HB2 PHE 112 HB2 PHE 112 7.841 -3.160 -4.576 844 HB3 PHE 112 3HB PHE 112 9.213 -3.096 -3.474 845 HD1 PHE 112 HD1 PHE 112 9.964 -0.859 -2.605 846 HD2 PHE 112 HD2 PHE 112 6.293 -1.407 -4.690 847 HE1 PHE 112 HE1 PHE 112 9.132 1.269 -1.693 848 HE2 PHE 112 HE2 PHE 112 5.456 0.721 -3.781 849 HZ PHE 112 HZ PHE 112 6.875 2.062 -2.280 850 H GLU 113 H GLU 113 11.342 -1.745 -3.695 851 HA GLU 113 HA GLU 113 13.526 -3.326 -4.689 852 HB2 GLU 113 HB2 GLU 113 13.389 -1.038 -3.228 853 HB3 GLU 113 HB3 GLU 113 13.717 -2.213 -1.962 854 HG2 GLU 113 HG2 GLU 113 15.729 -2.919 -3.052 855 HG3 GLU 113 HG3 GLU 113 15.369 -1.918 -4.458 856 H LYS 114 H LYS 114 14.720 -4.855 -3.307 857 HA LYS 114 HA LYS 114 13.209 -7.029 -2.540 858 HB2 LYS 114 HB2 LYS 114 15.907 -6.450 -2.705 859 HB3 LYS 114 HB3 LYS 114 15.678 -6.787 -0.994 860 HG2 LYS 114 HG2 LYS 114 15.043 -8.975 -1.372 861 HG3 LYS 114 HG3 LYS 114 14.576 -8.658 -3.044 862 HD2 LYS 114 HD2 LYS 114 16.612 -9.918 -3.070 863 HD3 LYS 114 HD3 LYS 114 16.988 -8.266 -3.564 864 HE2 LYS 114 HE2 LYS 114 18.688 -8.898 -2.051 865 HE3 LYS 114 HE3 LYS 114 17.613 -7.826 -1.154 866 HZ1 LYS 114 HZ1 LYS 114 17.933 -10.746 -0.916 867 HZ2 LYS 114 HZ2 LYS 114 16.491 -10.007 -0.430 868 HZ3 LYS 114 HZ3 LYS 114 17.953 -9.569 0.299 869 H VAL 115 H VAL 115 12.038 -7.562 -0.809 870 HA VAL 115 HA VAL 115 12.284 -5.879 1.600 871 HB VAL 115 HB VAL 115 9.837 -6.687 1.979 872 HG11 VAL 115 HG11 VAL 115 10.894 -4.500 0.290 873 HG12 VAL 115 HG12 VAL 115 9.154 -4.785 0.230 874 HG13 VAL 115 HG13 VAL 115 9.939 -4.432 1.770 875 HG21 VAL 115 HG21 VAL 115 9.925 -6.837 -1.027 876 HG22 VAL 115 HG22 VAL 115 9.960 -8.260 0.014 877 HG23 VAL 115 HG23 VAL 115 8.562 -7.185 0.037 878 H LYS 116 H LYS 116 12.376 -6.859 3.574 879 HA LYS 116 HA LYS 116 12.217 -9.795 3.643 880 HB2 LYS 116 HB2 LYS 116 14.450 -8.016 4.513 881 HB3 LYS 116 HB3 LYS 116 14.125 -9.469 5.450 882 HG2 LYS 116 HG2 LYS 116 14.261 -9.879 2.548 883 HG3 LYS 116 HG3 LYS 116 15.768 -9.355 3.303 884 HD2 LYS 116 HD2 LYS 116 15.428 -11.200 4.989 885 HD3 LYS 116 HD3 LYS 116 14.113 -11.784 3.966 886 HE2 LYS 116 HE2 LYS 116 15.529 -12.706 2.506 887 HE3 LYS 116 HE3 LYS 116 16.551 -11.270 2.469 888 HZ1 LYS 116 HZ1 LYS 116 17.143 -12.261 4.872 889 HZ2 LYS 116 HZ2 LYS 116 18.010 -12.632 3.467 890 HZ3 LYS 116 HZ3 LYS 116 16.822 -13.695 4.034 891 H ALA 117 H ALA 117 13.023 -7.366 6.103 892 HA ALA 117 HA ALA 117 10.520 -7.233 7.342 893 HB1 ALA 117 HB1 ALA 117 11.036 -8.656 9.362 894 HB2 ALA 117 HB2 ALA 117 10.658 -9.532 7.877 895 HB3 ALA 117 HB3 ALA 117 12.332 -9.383 8.412 896 H HIS 118 H HIS 118 10.532 -5.591 8.767 897 HA HIS 118 HA HIS 118 12.542 -4.968 10.592 898 HB2 HIS 118 HB2 HIS 118 13.402 -4.347 8.047 899 HB3 HIS 118 3HB HIS 118 12.767 -2.809 8.628 900 HD1 HIS 118 HD1 HIS 118 14.700 -1.474 9.391 901 HD2 HIS 118 HD2 HIS 118 15.025 -5.455 10.537 902 HE1 HIS 118 HE1 HIS 118 16.791 -1.606 10.779 903 H SER 119 H SER 119 12.408 -2.258 10.829 904 HA SER 119 HA SER 119 9.633 -1.427 10.619 905 HB2 SER 119 HB2 SER 119 10.120 -2.758 12.844 906 HB3 SER 119 3HB SER 119 10.842 -1.232 13.351 907 HG SER 119 HG SER 119 8.525 -1.551 13.807 908 H GLY 120 H GLY 120 9.400 0.840 11.666 909 HA2 GLY 120 HA1 GLY 120 11.859 2.397 11.635 910 HA3 GLY 120 HA2 GLY 120 10.721 2.742 10.342 911 H ASN 121 H ASN 121 10.371 4.855 11.046 912 HA ASN 121 HA ASN 121 8.776 5.058 13.514 913 HB2 ASN 121 HB2 ASN 121 9.955 7.586 12.859 914 HB3 ASN 121 3HB ASN 121 10.164 6.618 14.316 915 HD21 ASN 121 HD21 ASN 121 11.250 6.788 10.948 916 HD22 ASN 121 HD22 ASN 121 12.879 6.310 11.268 917 H GLU 122 H GLU 122 9.535 7.413 10.971 918 HA GLU 122 HA GLU 122 6.645 7.694 10.497 919 HB2 GLU 122 HB2 GLU 122 7.216 9.966 9.640 920 HB3 GLU 122 HB3 GLU 122 7.589 9.735 11.342 921 HG2 GLU 122 HG2 GLU 122 9.875 9.696 10.970 922 HG3 GLU 122 HG3 GLU 122 9.690 9.320 9.258 923 H PHE 123 H PHE 123 8.974 6.005 9.232 924 HA PHE 123 HA PHE 123 9.448 6.703 6.626 925 HB2 PHE 123 HB2 PHE 123 9.712 4.319 6.147 926 HB3 PHE 123 3HB PHE 123 10.417 4.717 7.710 927 HD1 PHE 123 HD1 PHE 123 9.068 4.209 9.794 928 HD2 PHE 123 HD2 PHE 123 8.082 2.665 5.953 929 HE1 PHE 123 HE1 PHE 123 7.714 2.450 10.854 930 HE2 PHE 123 HE2 PHE 123 6.725 0.902 7.007 931 HZ PHE 123 HZ PHE 123 6.541 0.793 9.460 932 H ASN 124 H ASN 124 6.565 5.142 7.947 933 HA ASN 124 HA ASN 124 5.295 4.845 5.396 934 HB2 ASN 124 HB2 ASN 124 3.351 4.116 6.658 935 HB3 ASN 124 3HB ASN 124 4.797 3.367 7.327 936 HD21 ASN 124 HD21 ASN 124 5.589 4.080 9.326 937 HD22 ASN 124 HD22 ASN 124 4.588 4.947 10.435 938 H ASP 125 H ASP 125 5.090 7.152 8.061 939 HA ASP 125 HA ASP 125 2.885 8.625 7.222 940 HB2 ASP 125 HB2 ASP 125 5.302 9.247 8.869 941 HB3 ASP 125 3HB ASP 125 4.246 10.570 8.382 942 H TYR 126 H TYR 126 6.064 8.454 5.907 943 HA TYR 126 HA TYR 126 6.385 10.900 4.673 944 HB2 TYR 126 HB2 TYR 126 8.198 9.419 4.509 945 HB3 TYR 126 3HB TYR 126 7.197 8.117 3.875 946 HD1 TYR 126 HD1 TYR 126 6.479 8.143 1.515 947 HD2 TYR 126 HD2 TYR 126 9.138 11.082 3.061 948 HE1 TYR 126 HE1 TYR 126 7.114 8.766 -0.778 949 HE2 TYR 126 HE2 TYR 126 9.779 11.714 0.772 950 HH TYR 126 HH TYR 126 9.702 11.056 -1.408 951 H VAL 127 H VAL 127 4.528 8.100 3.562 952 HA VAL 127 HA VAL 127 3.836 8.990 1.022 953 HB VAL 127 HB VAL 127 1.943 7.482 1.117 954 HG11 VAL 127 HG11 VAL 127 3.087 5.427 1.661 955 HG12 VAL 127 HG12 VAL 127 4.223 6.545 0.901 956 HG13 VAL 127 HG13 VAL 127 4.258 6.301 2.649 957 HG21 VAL 127 HG21 VAL 127 2.116 8.038 3.962 958 HG22 VAL 127 HG22 VAL 127 0.760 7.433 3.010 959 HG23 VAL 127 HG23 VAL 127 1.978 6.314 3.621 960 H ASP 128 H ASP 128 2.709 10.025 4.127 961 HA ASP 128 HA ASP 128 0.238 11.145 3.414 962 HB2 ASP 128 HB2 ASP 128 2.148 12.157 5.531 963 HB3 ASP 128 3HB ASP 128 0.410 12.438 5.459 964 H MET 129 H MET 129 3.465 12.637 3.595 965 HA MET 129 HA MET 129 2.573 15.158 2.601 966 HB2 MET 129 HB2 MET 129 4.676 14.610 4.012 967 HB3 MET 129 HB3 MET 129 5.420 14.208 2.470 968 HG2 MET 129 HG2 MET 129 5.157 16.422 1.667 969 HG3 MET 129 HG3 MET 129 4.120 16.857 3.023 970 HE1 MET 129 HE1 MET 129 7.636 15.428 2.146 971 HE2 MET 129 HE2 MET 129 8.577 15.817 3.586 972 HE3 MET 129 HE3 MET 129 7.297 14.606 3.669 973 H LYS 130 H LYS 130 4.133 12.333 1.162 974 HA LYS 130 HA LYS 130 4.621 13.420 -1.382 975 HB2 LYS 130 HB2 LYS 130 5.037 10.975 -0.131 976 HB3 LYS 130 HB3 LYS 130 3.925 10.592 -1.438 977 HG2 LYS 130 HG2 LYS 130 6.567 12.005 -1.739 978 HG3 LYS 130 HG3 LYS 130 6.248 10.311 -2.117 979 HD2 LYS 130 HD2 LYS 130 5.871 11.084 -4.196 980 HD3 LYS 130 HD3 LYS 130 4.296 11.548 -3.547 981 HE2 LYS 130 HE2 LYS 130 4.789 13.634 -4.152 982 HE3 LYS 130 HE3 LYS 130 5.967 13.644 -2.841 983 HZ1 LYS 130 HZ1 LYS 130 6.960 12.392 -5.219 984 HZ2 LYS 130 HZ2 LYS 130 7.648 13.616 -4.279 985 HZ3 LYS 130 HZ3 LYS 130 6.519 14.005 -5.477 986 H ALA 131 H ALA 131 1.915 11.380 -0.269 987 HA ALA 131 HA ALA 131 0.432 11.350 -2.604 988 HB1 ALA 131 HB1 ALA 131 -0.300 11.132 0.284 989 HB2 ALA 131 HB2 ALA 131 -1.565 11.183 -0.944 990 HB3 ALA 131 HB3 ALA 131 -0.350 9.906 -0.983 991 H LYS 132 H LYS 132 0.688 13.849 -0.156 992 HA LYS 132 HA LYS 132 -1.503 15.426 -0.738 993 HB2 LYS 132 HB2 LYS 132 0.904 15.701 0.725 994 HB3 LYS 132 HB3 LYS 132 0.775 17.118 -0.308 995 HG2 LYS 132 HG2 LYS 132 -1.744 16.971 0.673 996 HG3 LYS 132 HG3 LYS 132 -0.812 16.332 2.029 997 HD2 LYS 132 HD2 LYS 132 0.687 18.361 1.773 998 HD3 LYS 132 HD3 LYS 132 -0.538 19.010 0.680 999 HE2 LYS 132 HE2 LYS 132 -2.041 19.362 2.358 1000 HE3 LYS 132 HE3 LYS 132 -1.449 18.009 3.320 1001 HZ1 LYS 132 HZ1 LYS 132 0.593 19.421 3.704 1002 HZ2 LYS 132 HZ2 LYS 132 -0.823 19.927 4.477 1003 HZ3 LYS 132 HZ3 LYS 132 -0.293 20.722 3.082 1004 H SER 133 H SER 133 1.458 15.012 -2.537 1005 HA SER 133 HA SER 133 1.109 17.284 -4.231 1006 HB2 SER 133 HB2 SER 133 2.759 14.797 -4.733 1007 HB3 SER 133 3HB SER 133 2.933 16.354 -5.544 1008 HG SER 133 HG SER 133 3.245 15.973 -2.750 1009 H ALA 134 H ALA 134 0.170 13.907 -4.368 1010 HA ALA 134 HA ALA 134 -0.555 13.739 -7.063 1011 HB1 ALA 134 HB1 ALA 134 -1.732 12.313 -4.681 1012 HB2 ALA 134 HB2 ALA 134 -1.996 11.862 -6.366 1013 HB3 ALA 134 HB3 ALA 134 -0.377 11.769 -5.671 1014 H LEU 135 H LEU 135 -2.358 14.889 -4.253 1015 HA LEU 135 HA LEU 135 -4.823 15.230 -5.645 1016 HB2 LEU 135 HB2 LEU 135 -4.084 16.779 -3.196 1017 HB3 LEU 135 3HB LEU 135 -5.655 16.146 -3.679 1018 HG LEU 135 HG LEU 135 -3.330 14.586 -2.560 1019 HD11 LEU 135 HD11 LEU 135 -4.326 15.432 -0.701 1020 HD12 LEU 135 HD12 LEU 135 -5.365 14.030 -0.951 1021 HD13 LEU 135 HD13 LEU 135 -5.892 15.626 -1.488 1022 HD21 LEU 135 HD21 LEU 135 -5.417 12.859 -2.609 1023 HD22 LEU 135 HD22 LEU 135 -4.142 12.917 -3.827 1024 HD23 LEU 135 HD23 LEU 135 -5.676 13.741 -4.114 1025 H GLY 136 H GLY 136 -2.193 17.426 -4.712 1026 HA2 GLY 136 HA1 GLY 136 -1.521 19.169 -6.250 1027 HA3 GLY 136 HA2 GLY 136 -3.203 19.317 -6.736 1028 H ILE 137 H ILE 137 -1.981 19.099 -3.434 1029 HA ILE 137 HA ILE 137 -3.540 21.261 -2.526 1030 HB ILE 137 HB ILE 137 -1.054 20.188 -1.195 1031 HG12 ILE 137 HG12 ILE 137 -2.514 18.321 -1.730 1032 HG13 ILE 137 HG13 ILE 137 -2.593 18.648 -0.002 1033 HG21 ILE 137 HG21 ILE 137 -1.906 21.059 0.808 1034 HG22 ILE 137 HG22 ILE 137 -2.166 22.333 -0.381 1035 HG23 ILE 137 HG23 ILE 137 -3.510 21.307 0.120 1036 HD11 ILE 137 HD11 ILE 137 -4.705 18.515 -1.883 1037 HD12 ILE 137 HD12 ILE 137 -4.789 18.805 -0.145 1038 HD13 ILE 137 HD13 ILE 137 -4.624 20.162 -1.259 1039 H ARG 138 H ARG 138 -0.169 21.037 -3.546 1040 HA ARG 138 HA ARG 138 1.352 22.623 -4.133 1041 HB2 ARG 138 HB2 ARG 138 0.185 23.853 -5.616 1042 HB3 ARG 138 HB3 ARG 138 -1.242 23.905 -4.589 1043 HG2 ARG 138 HG2 ARG 138 -0.460 25.784 -3.415 1044 HG3 ARG 138 HG3 ARG 138 1.176 25.597 -4.050 1045 HD2 ARG 138 HD2 ARG 138 0.464 26.232 -6.247 1046 HD3 ARG 138 HD3 ARG 138 -1.229 26.210 -5.757 1047 HE ARG 138 HE ARG 138 0.290 28.043 -4.198 1048 HH11 ARG 138 HH11 ARG 138 -1.250 27.621 -7.291 1049 HH12 ARG 138 HH12 ARG 138 -1.499 29.316 -7.545 1050 HH21 ARG 138 HH21 ARG 138 -0.033 30.279 -4.520 1051 HH22 ARG 138 HH22 ARG 138 -0.806 30.827 -5.969 1052 H ASP 139 H ASP 139 2.825 23.288 -2.730 1053 HA ASP 139 HA ASP 139 2.197 25.295 -0.751 1054 HB2 ASP 139 HB2 ASP 139 1.860 22.728 0.084 1055 HB3 ASP 139 3HB ASP 139 3.558 22.984 0.483 1056 H LEU 140 H LEU 140 4.416 25.205 0.812 1057 HA LEU 140 HA LEU 140 6.800 24.831 -0.744 1058 HB2 LEU 140 HB2 LEU 140 5.452 27.371 -0.781 1059 HB3 LEU 140 3HB LEU 140 7.032 27.530 -0.016 1060 HG LEU 140 HG LEU 140 6.855 26.126 -2.638 1061 HD11 LEU 140 HD11 LEU 140 7.063 29.113 -2.515 1062 HD12 LEU 140 HD12 LEU 140 5.505 28.308 -2.695 1063 HD13 LEU 140 HD13 LEU 140 6.762 28.075 -3.909 1064 HD21 LEU 140 HD21 LEU 140 9.013 27.707 -2.738 1065 HD22 LEU 140 HD22 LEU 140 9.028 26.101 -2.010 1066 HD23 LEU 140 HD23 LEU 140 8.866 27.531 -0.990 1067 H GLU 141 H GLU 141 8.679 26.105 0.532 1068 HA GLU 141 HA GLU 141 9.980 25.991 2.401 1069 HB2 GLU 141 HB2 GLU 141 7.543 26.672 4.016 1070 HB3 GLU 141 HB3 GLU 141 9.203 27.203 4.244 1071 HG2 GLU 141 HG2 GLU 141 8.979 28.496 2.107 1072 HG3 GLU 141 HG3 GLU 141 7.260 28.109 2.140 1073 H HIS 142 H HIS 142 9.595 25.269 4.993 1074 HA HIS 142 HA HIS 142 9.482 23.471 6.381 1075 HB2 HIS 142 HB2 HIS 142 7.026 23.421 4.859 1076 HB3 HIS 142 3HB HIS 142 7.539 21.784 5.259 1077 HD1 HIS 142 HD1 HIS 142 8.600 22.095 8.059 1078 HD2 HIS 142 HD2 HIS 142 5.164 24.012 6.727 1079 HE1 HIS 142 HE1 HIS 142 7.270 22.609 10.131 1080 H HIS 143 H HIS 143 9.748 21.050 6.463 1081 HA HIS 143 HA HIS 143 10.891 19.173 5.872 1082 HB2 HIS 143 HB2 HIS 143 9.180 19.178 4.024 1083 HB3 HIS 143 3HB HIS 143 10.367 19.992 3.010 1084 HD1 HIS 143 HD1 HIS 143 11.256 17.168 5.336 1085 HD2 HIS 143 HD2 HIS 143 10.754 17.878 1.273 1086 HE1 HIS 143 HE1 HIS 143 12.118 15.107 4.181 1087 H HIS 144 H HIS 144 12.948 19.511 6.503 1088 HA HIS 144 HA HIS 144 14.990 19.823 4.618 1089 HB2 HIS 144 HB2 HIS 144 13.885 22.266 5.110 1090 HB3 HIS 144 3HB HIS 144 15.164 22.224 6.320 1091 HD1 HIS 144 HD1 HIS 144 15.144 21.073 2.689 1092 HD2 HIS 144 HD2 HIS 144 17.220 23.605 5.247 1093 HE1 HIS 144 HE1 HIS 144 17.030 22.017 1.318 1094 H HIS 145 H HIS 145 16.052 18.202 5.633 1095 HA HIS 145 HA HIS 145 17.154 18.814 8.282 1096 HB2 HIS 145 HB2 HIS 145 15.845 16.218 7.458 1097 HB3 HIS 145 3HB HIS 145 16.873 16.378 8.879 1098 HD1 HIS 145 HD1 HIS 145 15.926 17.760 10.875 1099 HD2 HIS 145 HD2 HIS 145 13.272 17.237 7.721 1100 HE1 HIS 145 HE1 HIS 145 13.672 18.412 11.778 1101 H HIS 146 H HIS 146 18.803 16.831 8.762 1102 HA HIS 146 HA HIS 146 20.213 15.776 6.548 1103 HB2 HIS 146 HB2 HIS 146 20.782 18.239 6.377 1104 HB3 HIS 146 3HB HIS 146 21.629 18.069 7.911 1105 HD1 HIS 146 HD1 HIS 146 24.052 17.885 7.525 1106 HD2 HIS 146 HD2 HIS 146 21.878 15.985 4.538 1107 HE1 HIS 146 HE1 HIS 146 25.766 16.908 5.964 1108 H HIS 147 H HIS 147 19.718 14.083 8.173 1109 HA HIS 147 HA HIS 147 20.358 12.598 9.775 1110 HB2 HIS 147 HB2 HIS 147 22.637 13.312 8.403 1111 HB3 HIS 147 3HB HIS 147 23.100 13.582 10.081 1112 HD1 HIS 147 HD1 HIS 147 21.694 11.227 11.431 1113 HD2 HIS 147 HD2 HIS 147 23.811 10.922 7.870 1114 HE1 HIS 147 HE1 HIS 147 22.360 8.809 11.250 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -9.382 2.822 -17.296 2 HA MET 1 HA MET 1 -8.519 0.434 -18.791 3 HB2 MET 1 HB2 MET 1 -9.967 2.266 -19.922 4 HB3 MET 1 HB3 MET 1 -8.486 3.214 -19.927 5 HG2 MET 1 HG2 MET 1 -7.895 0.626 -20.938 6 HG3 MET 1 HG3 MET 1 -9.324 1.241 -21.766 7 HE1 MET 1 HE1 MET 1 -6.193 0.510 -22.144 8 HE2 MET 1 HE2 MET 1 -6.433 1.058 -23.804 9 HE3 MET 1 HE3 MET 1 -5.206 1.821 -22.791 10 H ASP 2 H ASP 2 -7.502 3.600 -17.579 11 HA ASP 2 HA ASP 2 -4.877 2.629 -16.994 12 HB2 ASP 2 HB2 ASP 2 -5.171 3.476 -19.589 13 HB3 ASP 2 3HB ASP 2 -4.598 4.936 -18.788 14 H ASP 3 H ASP 3 -3.430 4.724 -16.483 15 HA ASP 3 HA ASP 3 -5.089 6.759 -15.185 16 HB2 ASP 3 HB2 ASP 3 -4.075 6.513 -13.063 17 HB3 ASP 3 3HB ASP 3 -4.480 4.875 -13.570 18 H ARG 4 H ARG 4 -3.139 8.154 -13.865 19 HA ARG 4 HA ARG 4 -0.942 8.660 -15.692 20 HB2 ARG 4 HB2 ARG 4 -1.486 10.902 -16.209 21 HB3 ARG 4 HB3 ARG 4 -2.953 9.981 -16.511 22 HG2 ARG 4 HG2 ARG 4 -3.724 10.665 -14.216 23 HG3 ARG 4 HG3 ARG 4 -2.350 11.772 -14.177 24 HD2 ARG 4 HD2 ARG 4 -4.308 11.793 -16.448 25 HD3 ARG 4 HD3 ARG 4 -4.631 12.674 -14.955 26 HE ARG 4 HE ARG 4 -2.061 13.324 -15.923 27 HH11 ARG 4 HH11 ARG 4 -5.436 13.847 -16.598 28 HH12 ARG 4 HH12 ARG 4 -5.179 15.381 -17.361 29 HH21 ARG 4 HH21 ARG 4 -1.710 15.341 -16.927 30 HH22 ARG 4 HH22 ARG 4 -3.060 16.230 -17.549 31 H THR 5 H THR 5 -1.567 7.921 -12.810 32 HA THR 5 HA THR 5 -0.646 10.099 -11.206 33 HB THR 5 HB THR 5 -0.472 8.429 -9.392 34 HG1 THR 5 HG1 THR 5 -1.317 6.262 -10.026 35 HG21 THR 5 HG21 THR 5 -2.950 8.597 -11.066 36 HG22 THR 5 HG22 THR 5 -2.610 9.330 -9.498 37 HG23 THR 5 HG23 THR 5 -2.928 7.599 -9.612 38 H GLU 6 H GLU 6 1.255 9.304 -9.563 39 HA GLU 6 HA GLU 6 3.458 7.983 -10.784 40 HB2 GLU 6 HB2 GLU 6 3.127 10.735 -11.431 41 HB3 GLU 6 HB3 GLU 6 4.516 10.598 -10.362 42 HG2 GLU 6 HG2 GLU 6 5.774 9.596 -11.915 43 HG3 GLU 6 HG3 GLU 6 4.440 8.602 -12.499 44 H TYR 7 H TYR 7 3.060 10.760 -8.578 45 HA TYR 7 HA TYR 7 4.980 10.084 -6.732 46 HB2 TYR 7 HB2 TYR 7 2.311 11.367 -6.116 47 HB3 TYR 7 3HB TYR 7 3.767 11.472 -5.132 48 HD1 TYR 7 HD1 TYR 7 5.904 12.271 -6.658 49 HD2 TYR 7 HD2 TYR 7 1.819 13.261 -7.319 50 HE1 TYR 7 HE1 TYR 7 6.598 14.282 -7.893 51 HE2 TYR 7 HE2 TYR 7 2.501 15.273 -8.557 52 HH TYR 7 HH TYR 7 5.424 16.629 -8.394 53 H ASP 8 H ASP 8 4.669 9.306 -4.475 54 HA ASP 8 HA ASP 8 3.871 6.672 -4.375 55 HB2 ASP 8 HB2 ASP 8 5.317 7.546 -2.672 56 HB3 ASP 8 3HB ASP 8 4.095 8.703 -2.151 57 H VAL 9 H VAL 9 2.112 5.630 -3.231 58 HA VAL 9 HA VAL 9 -0.422 6.949 -3.786 59 HB VAL 9 HB VAL 9 0.239 4.114 -2.995 60 HG11 VAL 9 HG11 VAL 9 -1.882 4.628 -2.008 61 HG12 VAL 9 HG12 VAL 9 -2.443 5.393 -3.496 62 HG13 VAL 9 HG13 VAL 9 -2.167 3.651 -3.448 63 HG21 VAL 9 HG21 VAL 9 -0.996 5.121 -5.547 64 HG22 VAL 9 HG22 VAL 9 0.746 4.943 -5.335 65 HG23 VAL 9 HG23 VAL 9 -0.305 3.532 -5.221 66 H TYR 10 H TYR 10 -1.979 7.420 -2.279 67 HA TYR 10 HA TYR 10 -1.095 7.962 0.369 68 HB2 TYR 10 HB2 TYR 10 -2.725 9.414 -0.667 69 HB3 TYR 10 3HB TYR 10 -3.844 8.074 -0.884 70 HD1 TYR 10 HD1 TYR 10 -1.838 9.102 2.090 71 HD2 TYR 10 HD2 TYR 10 -5.710 8.555 0.411 72 HE1 TYR 10 HE1 TYR 10 -2.850 9.603 4.276 73 HE2 TYR 10 HE2 TYR 10 -6.732 9.057 2.591 74 HH TYR 10 HH TYR 10 -5.273 8.904 5.384 75 H THR 11 H THR 11 -0.439 5.805 1.005 76 HA THR 11 HA THR 11 -2.714 4.137 1.863 77 HB THR 11 HB THR 11 -1.065 2.226 1.871 78 HG1 THR 11 HG1 THR 11 0.715 2.775 0.239 79 HG21 THR 11 HG21 THR 11 -1.115 3.130 -0.935 80 HG22 THR 11 HG22 THR 11 -2.673 3.131 -0.108 81 HG23 THR 11 HG23 THR 11 -1.730 1.645 -0.211 82 H ASP 12 H ASP 12 -1.834 2.563 3.703 83 HA ASP 12 HA ASP 12 -1.218 2.358 5.883 84 HB2 ASP 12 HB2 ASP 12 0.766 4.579 5.638 85 HB3 ASP 12 3HB ASP 12 0.910 3.036 6.476 86 H GLY 13 H GLY 13 -0.522 4.048 7.866 87 HA2 GLY 13 HA1 GLY 13 -1.116 6.065 8.968 88 HA3 GLY 13 HA2 GLY 13 -2.351 6.337 7.748 89 H SER 14 H SER 14 -2.366 6.223 10.774 90 HA SER 14 HA SER 14 -3.711 3.981 11.711 91 HB2 SER 14 HB2 SER 14 -2.837 6.244 12.875 92 HB3 SER 14 3HB SER 14 -4.560 6.609 12.805 93 HG SER 14 HG SER 14 -3.285 5.037 14.520 94 H TYR 15 H TYR 15 -6.078 4.252 12.631 95 HA TYR 15 HA TYR 15 -7.841 5.405 10.597 96 HB2 TYR 15 HB2 TYR 15 -7.406 2.981 10.062 97 HB3 TYR 15 3HB TYR 15 -8.174 2.570 11.591 98 HD1 TYR 15 HD1 TYR 15 -10.593 3.451 11.934 99 HD2 TYR 15 HD2 TYR 15 -8.695 3.169 8.137 100 HE1 TYR 15 HE1 TYR 15 -12.796 3.472 10.838 101 HE2 TYR 15 HE2 TYR 15 -10.891 3.190 7.031 102 HH TYR 15 HH TYR 15 -13.088 3.314 7.300 103 H VAL 16 H VAL 16 -8.264 3.234 13.390 104 HA VAL 16 HA VAL 16 -9.651 5.366 14.829 105 HB VAL 16 HB VAL 16 -11.428 4.197 13.622 106 HG11 VAL 16 HG11 VAL 16 -10.584 1.723 15.123 107 HG12 VAL 16 HG12 VAL 16 -11.901 1.867 13.958 108 HG13 VAL 16 HG13 VAL 16 -10.227 2.028 13.424 109 HG21 VAL 16 HG21 VAL 16 -12.815 3.569 15.575 110 HG22 VAL 16 HG22 VAL 16 -11.371 3.643 16.587 111 HG23 VAL 16 HG23 VAL 16 -11.968 5.101 15.794 112 H ASN 17 H ASN 17 -9.119 5.384 16.919 113 HA ASN 17 HA ASN 17 -7.988 4.832 18.828 114 HB2 ASN 17 HB2 ASN 17 -10.215 3.323 18.642 115 HB3 ASN 17 3HB ASN 17 -9.003 2.048 18.729 116 HD21 ASN 17 HD21 ASN 17 -10.536 4.669 20.395 117 HD22 ASN 17 HD22 ASN 17 -9.912 4.309 21.965 118 H GLY 18 H GLY 18 -7.091 2.252 19.697 119 HA2 GLY 18 HA1 GLY 18 -4.574 2.184 18.284 120 HA3 GLY 18 HA2 GLY 18 -4.999 1.245 19.707 121 H GLN 19 H GLN 19 -6.358 1.460 16.419 122 HA GLN 19 HA GLN 19 -6.111 -1.471 16.251 123 HB2 GLN 19 HB2 GLN 19 -8.355 0.229 15.865 124 HB3 GLN 19 HB3 GLN 19 -7.937 -0.460 14.302 125 HG2 GLN 19 HG2 GLN 19 -7.797 -2.654 15.879 126 HG3 GLN 19 HG3 GLN 19 -9.063 -1.733 16.692 127 HE21 GLN 19 HE21 GLN 19 -11.020 -1.448 15.702 128 HE22 GLN 19 HE22 GLN 19 -11.474 -2.264 14.248 129 H TYR 20 H TYR 20 -6.409 -2.003 13.678 130 HA TYR 20 HA TYR 20 -4.410 -0.375 12.258 131 HB2 TYR 20 HB2 TYR 20 -3.238 -2.274 11.507 132 HB3 TYR 20 3HB TYR 20 -3.538 -2.590 13.213 133 HD1 TYR 20 HD1 TYR 20 -5.238 -4.246 13.888 134 HD2 TYR 20 HD2 TYR 20 -4.230 -3.632 9.800 135 HE1 TYR 20 HE1 TYR 20 -6.310 -6.383 13.309 136 HE2 TYR 20 HE2 TYR 20 -5.300 -5.766 9.210 137 HH TYR 20 HH TYR 20 -5.841 -7.951 10.421 138 H ALA 21 H ALA 21 -4.836 0.063 10.161 139 HA ALA 21 HA ALA 21 -6.950 -1.416 8.786 140 HB1 ALA 21 HB1 ALA 21 -7.050 1.560 8.639 141 HB2 ALA 21 HB2 ALA 21 -8.332 0.375 8.385 142 HB3 ALA 21 HB3 ALA 21 -7.778 0.737 10.019 143 H TRP 22 H TRP 22 -7.148 -0.527 6.450 144 HA TRP 22 HA TRP 22 -4.549 0.360 5.429 145 HB2 TRP 22 HB2 TRP 22 -4.831 -1.375 3.566 146 HB3 TRP 22 3HB TRP 22 -4.326 -1.972 5.144 147 HD1 TRP 22 HD1 TRP 22 -6.221 -3.284 6.606 148 HE1 TRP 22 HE1 TRP 22 -8.268 -4.641 5.840 149 HE3 TRP 22 HE3 TRP 22 -6.608 -1.536 1.818 150 HZ2 TRP 22 HZ2 TRP 22 -9.840 -4.934 3.513 151 HZ3 TRP 22 HZ3 TRP 22 -8.411 -2.406 0.387 152 HH2 TRP 22 HH2 TRP 22 -9.992 -4.070 1.219 153 H ALA 23 H ALA 23 -4.721 1.859 3.882 154 HA ALA 23 HA ALA 23 -7.233 2.067 2.376 155 HB1 ALA 23 HB1 ALA 23 -5.901 4.565 3.318 156 HB2 ALA 23 HB2 ALA 23 -7.582 4.291 2.862 157 HB3 ALA 23 HB3 ALA 23 -6.978 3.687 4.404 158 H TYR 24 H TYR 24 -6.989 3.638 0.505 159 HA TYR 24 HA TYR 24 -4.352 4.147 -0.488 160 HB2 TYR 24 HB2 TYR 24 -4.862 2.708 -2.605 161 HB3 TYR 24 3HB TYR 24 -4.190 1.936 -1.173 162 HD1 TYR 24 HD1 TYR 24 -7.639 2.898 -2.265 163 HD2 TYR 24 HD2 TYR 24 -5.057 -0.168 -0.839 164 HE1 TYR 24 HE1 TYR 24 -9.532 1.329 -2.229 165 HE2 TYR 24 HE2 TYR 24 -6.943 -1.747 -0.800 166 HH TYR 24 HH TYR 24 -10.233 -0.693 -1.475 167 H ALA 25 H ALA 25 -4.429 5.079 -2.721 168 HA ALA 25 HA ALA 25 -6.974 6.510 -3.115 169 HB1 ALA 25 HB1 ALA 25 -5.832 8.411 -3.180 170 HB2 ALA 25 HB2 ALA 25 -4.379 7.511 -2.747 171 HB3 ALA 25 HB3 ALA 25 -4.774 7.781 -4.443 172 H PHE 26 H PHE 26 -8.063 5.544 -4.711 173 HA PHE 26 HA PHE 26 -6.639 4.403 -6.981 174 HB2 PHE 26 HB2 PHE 26 -9.425 4.217 -5.916 175 HB3 PHE 26 3HB PHE 26 -9.149 3.870 -7.619 176 HD1 PHE 26 HD1 PHE 26 -6.909 3.131 -4.760 177 HD2 PHE 26 HD2 PHE 26 -9.524 1.571 -7.734 178 HE1 PHE 26 HE1 PHE 26 -6.207 0.846 -4.175 179 HE2 PHE 26 HE2 PHE 26 -8.826 -0.716 -7.154 180 HZ PHE 26 HZ PHE 26 -7.166 -1.081 -5.371 181 H VAL 27 H VAL 27 -6.749 5.144 -9.055 182 HA VAL 27 HA VAL 27 -8.452 7.439 -9.660 183 HB VAL 27 HB VAL 27 -5.451 7.458 -9.783 184 HG11 VAL 27 HG11 VAL 27 -6.069 9.750 -11.042 185 HG12 VAL 27 HG12 VAL 27 -5.675 8.252 -11.888 186 HG13 VAL 27 HG13 VAL 27 -7.361 8.715 -11.651 187 HG21 VAL 27 HG21 VAL 27 -7.457 9.505 -8.843 188 HG22 VAL 27 HG22 VAL 27 -6.587 8.381 -7.799 189 HG23 VAL 27 HG23 VAL 27 -5.703 9.613 -8.699 190 H LYS 28 H LYS 28 -9.353 7.242 -11.605 191 HA LYS 28 HA LYS 28 -8.061 5.464 -13.569 192 HB2 LYS 28 HB2 LYS 28 -10.939 5.710 -12.755 193 HB3 LYS 28 HB3 LYS 28 -10.522 5.146 -14.369 194 HG2 LYS 28 HG2 LYS 28 -8.990 3.755 -12.361 195 HG3 LYS 28 HG3 LYS 28 -10.723 3.622 -12.053 196 HD2 LYS 28 HD2 LYS 28 -9.743 3.205 -14.832 197 HD3 LYS 28 HD3 LYS 28 -9.469 1.927 -13.645 198 HE2 LYS 28 HE2 LYS 28 -11.630 1.336 -13.622 199 HE3 LYS 28 HE3 LYS 28 -12.180 3.011 -13.589 200 HZ1 LYS 28 HZ1 LYS 28 -12.709 1.567 -15.631 201 HZ2 LYS 28 HZ2 LYS 28 -11.101 1.847 -16.073 202 HZ3 LYS 28 HZ3 LYS 28 -12.166 3.149 -15.881 203 H ASP 29 H ASP 29 -7.719 6.276 -15.547 204 HA ASP 29 HA ASP 29 -7.692 7.706 -17.316 205 HB2 ASP 29 HB2 ASP 29 -10.420 7.777 -16.351 206 HB3 ASP 29 3HB ASP 29 -9.952 9.338 -17.020 207 H GLY 30 H GLY 30 -6.985 8.500 -14.381 208 HA2 GLY 30 HA1 GLY 30 -5.617 10.281 -13.710 209 HA3 GLY 30 HA2 GLY 30 -6.167 11.199 -15.103 210 H LYS 31 H LYS 31 -8.518 9.657 -13.091 211 HA LYS 31 HA LYS 31 -9.022 12.136 -11.617 212 HB2 LYS 31 HB2 LYS 31 -11.189 12.430 -12.358 213 HB3 LYS 31 HB3 LYS 31 -10.401 11.873 -13.829 214 HG2 LYS 31 HG2 LYS 31 -11.166 9.516 -12.973 215 HG3 LYS 31 HG3 LYS 31 -12.342 10.469 -12.066 216 HD2 LYS 31 HD2 LYS 31 -13.600 10.585 -13.896 217 HD3 LYS 31 HD3 LYS 31 -12.318 11.508 -14.683 218 HE2 LYS 31 HE2 LYS 31 -11.561 9.714 -15.853 219 HE3 LYS 31 HE3 LYS 31 -11.978 8.570 -14.578 220 HZ1 LYS 31 HZ1 LYS 31 -14.054 9.910 -16.202 221 HZ2 LYS 31 HZ2 LYS 31 -14.194 8.509 -15.265 222 HZ3 LYS 31 HZ3 LYS 31 -13.320 8.474 -16.713 223 H VAL 32 H VAL 32 -10.840 11.769 -9.977 224 HA VAL 32 HA VAL 32 -10.126 9.539 -8.359 225 HB VAL 32 HB VAL 32 -12.520 11.343 -7.998 226 HG11 VAL 32 HG11 VAL 32 -12.381 10.746 -5.679 227 HG12 VAL 32 HG12 VAL 32 -12.419 9.263 -6.633 228 HG13 VAL 32 HG13 VAL 32 -10.896 9.836 -5.955 229 HG21 VAL 32 HG21 VAL 32 -10.550 12.245 -6.298 230 HG22 VAL 32 HG22 VAL 32 -9.671 11.907 -7.789 231 HG23 VAL 32 HG23 VAL 32 -11.045 13.012 -7.808 232 H HIS 33 H HIS 33 -10.835 7.528 -8.543 233 HA HIS 33 HA HIS 33 -13.418 7.052 -9.868 234 HB2 HIS 33 HB2 HIS 33 -11.264 6.056 -10.823 235 HB3 HIS 33 3HB HIS 33 -11.264 4.991 -9.421 236 HD1 HIS 33 HD1 HIS 33 -13.905 5.981 -11.990 237 HD2 HIS 33 HD2 HIS 33 -12.344 2.624 -10.106 238 HE1 HIS 33 HE1 HIS 33 -15.197 4.030 -12.912 239 H TYR 34 H TYR 34 -11.392 5.877 -7.191 240 HA TYR 34 HA TYR 34 -13.861 5.177 -5.753 241 HB2 TYR 34 HB2 TYR 34 -11.340 3.538 -6.004 242 HB3 TYR 34 3HB TYR 34 -12.536 3.255 -4.746 243 HD1 TYR 34 HD1 TYR 34 -15.051 3.666 -6.248 244 HD2 TYR 34 HD2 TYR 34 -11.476 1.643 -7.360 245 HE1 TYR 34 HE1 TYR 34 -16.340 2.246 -7.790 246 HE2 TYR 34 HE2 TYR 34 -12.755 0.220 -8.905 247 HH TYR 34 HH TYR 34 -14.900 0.321 -10.154 248 H GLU 35 H GLU 35 -13.529 4.999 -3.380 249 HA GLU 35 HA GLU 35 -11.237 6.081 -2.126 250 HB2 GLU 35 HB2 GLU 35 -11.913 8.192 -3.039 251 HB3 GLU 35 HB3 GLU 35 -13.579 7.941 -2.536 252 HG2 GLU 35 HG2 GLU 35 -13.179 8.568 -0.404 253 HG3 GLU 35 HG3 GLU 35 -11.542 7.914 -0.401 254 H ASP 36 H ASP 36 -11.449 4.443 -0.663 255 HA ASP 36 HA ASP 36 -13.112 4.851 1.572 256 HB2 ASP 36 HB2 ASP 36 -14.944 4.036 0.289 257 HB3 ASP 36 3HB ASP 36 -13.986 2.713 -0.370 258 H ALA 37 H ALA 37 -11.867 4.175 3.174 259 HA ALA 37 HA ALA 37 -9.774 2.241 2.716 260 HB1 ALA 37 HB1 ALA 37 -9.217 4.125 4.069 261 HB2 ALA 37 HB2 ALA 37 -10.575 3.819 5.153 262 HB3 ALA 37 HB3 ALA 37 -9.212 2.700 5.109 263 H ASP 38 H ASP 38 -9.479 0.754 4.863 264 HA ASP 38 HA ASP 38 -11.964 -0.493 5.667 265 HB2 ASP 38 HB2 ASP 38 -10.003 -1.844 3.825 266 HB3 ASP 38 3HB ASP 38 -11.049 -2.775 4.893 267 H VAL 39 H VAL 39 -11.795 -1.543 7.591 268 HA VAL 39 HA VAL 39 -9.138 -1.521 8.849 269 HB VAL 39 HB VAL 39 -11.802 -1.733 10.249 270 HG11 VAL 39 HG11 VAL 39 -8.988 -1.211 11.173 271 HG12 VAL 39 HG12 VAL 39 -10.403 -0.875 12.172 272 HG13 VAL 39 HG13 VAL 39 -10.066 -2.524 11.646 273 HG21 VAL 39 HG21 VAL 39 -10.141 0.725 9.702 274 HG22 VAL 39 HG22 VAL 39 -11.734 0.368 9.034 275 HG23 VAL 39 HG23 VAL 39 -11.548 0.661 10.763 276 H GLY 40 H GLY 40 -8.533 -3.285 10.236 277 HA2 GLY 40 HA1 GLY 40 -9.749 -5.833 9.370 278 HA3 GLY 40 HA2 GLY 40 -8.059 -5.636 9.814 279 H LYS 41 H LYS 41 -8.527 -7.499 11.211 280 HA LYS 41 HA LYS 41 -8.779 -6.750 13.894 281 HB2 LYS 41 HB2 LYS 41 -10.933 -7.949 14.417 282 HB3 LYS 41 HB3 LYS 41 -11.114 -6.423 13.560 283 HG2 LYS 41 HG2 LYS 41 -10.928 -8.821 11.863 284 HG3 LYS 41 HG3 LYS 41 -12.372 -8.699 12.872 285 HD2 LYS 41 HD2 LYS 41 -11.894 -6.151 11.719 286 HD3 LYS 41 HD3 LYS 41 -11.785 -7.355 10.433 287 HE2 LYS 41 HE2 LYS 41 -13.974 -8.281 11.512 288 HE3 LYS 41 HE3 LYS 41 -14.093 -6.664 12.202 289 HZ1 LYS 41 HZ1 LYS 41 -13.618 -6.023 9.698 290 HZ2 LYS 41 HZ2 LYS 41 -15.184 -6.313 10.267 291 HZ3 LYS 41 HZ3 LYS 41 -14.353 -7.522 9.426 292 H ASN 42 H ASN 42 -6.888 -8.193 12.742 293 HA ASN 42 HA ASN 42 -7.453 -10.985 13.499 294 HB2 ASN 42 HB2 ASN 42 -5.509 -9.860 11.478 295 HB3 ASN 42 3HB ASN 42 -5.479 -11.537 12.017 296 HD21 ASN 42 HD21 ASN 42 -5.861 -12.161 9.851 297 HD22 ASN 42 HD22 ASN 42 -7.447 -12.076 9.172 298 HA PRO 43 HA PRO 43 -4.468 -10.767 16.709 299 HB2 PRO 43 HB2 PRO 43 -3.452 -13.283 16.664 300 HB3 PRO 43 HB3 PRO 43 -5.075 -12.913 17.260 301 HG2 PRO 43 HG2 PRO 43 -4.233 -13.975 14.590 302 HG3 PRO 43 HG3 PRO 43 -5.593 -14.472 15.614 303 HD2 PRO 43 HD2 PRO 43 -5.900 -12.839 13.477 304 HD3 PRO 43 HD3 PRO 43 -6.916 -12.715 14.926 305 H ALA 44 H ALA 44 -3.204 -12.502 13.857 306 HA ALA 44 HA ALA 44 -0.488 -12.016 14.374 307 HB1 ALA 44 HB1 ALA 44 -0.078 -12.726 12.121 308 HB2 ALA 44 HB2 ALA 44 -1.369 -13.721 12.794 309 HB3 ALA 44 HB3 ALA 44 -1.754 -12.418 11.669 310 H ALA 45 H ALA 45 -2.961 -9.960 13.188 311 HA ALA 45 HA ALA 45 -1.077 -8.082 11.988 312 HB1 ALA 45 HB1 ALA 45 -3.269 -8.600 10.906 313 HB2 ALA 45 HB2 ALA 45 -4.064 -7.791 12.257 314 HB3 ALA 45 HB3 ALA 45 -2.985 -6.883 11.198 315 H ALA 46 H ALA 46 -3.163 -8.412 14.797 316 HA ALA 46 HA ALA 46 -2.814 -5.732 15.720 317 HB1 ALA 46 HB1 ALA 46 -3.476 -7.751 17.738 318 HB2 ALA 46 HB2 ALA 46 -4.326 -6.273 17.286 319 HB3 ALA 46 HB3 ALA 46 -4.545 -7.742 16.334 320 H THR 47 H THR 47 -1.280 -8.834 16.441 321 HA THR 47 HA THR 47 0.295 -8.010 18.606 322 HB THR 47 HB THR 47 0.047 -10.363 18.115 323 HG1 THR 47 HG1 THR 47 1.960 -9.935 19.164 324 HG21 THR 47 HG21 THR 47 1.877 -10.641 15.917 325 HG22 THR 47 HG22 THR 47 0.544 -9.580 15.461 326 HG23 THR 47 HG23 THR 47 0.214 -11.206 16.059 327 H MET 48 H MET 48 0.551 -7.314 15.258 328 HA MET 48 HA MET 48 3.367 -6.591 15.425 329 HB2 MET 48 HB2 MET 48 1.368 -6.573 13.166 330 HB3 MET 48 HB3 MET 48 2.993 -5.918 13.003 331 HG2 MET 48 HG2 MET 48 3.661 -8.298 13.927 332 HG3 MET 48 HG3 MET 48 2.094 -8.732 13.247 333 HE1 MET 48 HE1 MET 48 5.928 -7.698 12.108 334 HE2 MET 48 HE2 MET 48 5.352 -6.617 10.839 335 HE3 MET 48 HE3 MET 48 4.890 -6.331 12.517 336 H ARG 49 H ARG 49 0.868 -5.191 16.691 337 HA ARG 49 HA ARG 49 0.421 -3.065 17.378 338 HB2 ARG 49 HB2 ARG 49 2.776 -2.103 15.765 339 HB3 ARG 49 HB3 ARG 49 2.069 -1.376 17.202 340 HG2 ARG 49 HG2 ARG 49 2.789 -3.744 18.221 341 HG3 ARG 49 HG3 ARG 49 4.002 -3.588 16.948 342 HD2 ARG 49 HD2 ARG 49 4.898 -2.638 18.954 343 HD3 ARG 49 HD3 ARG 49 4.542 -1.324 17.833 344 HE ARG 49 HE ARG 49 2.334 -1.733 19.528 345 HH11 ARG 49 HH11 ARG 49 5.597 -0.522 19.591 346 HH12 ARG 49 HH12 ARG 49 5.303 0.577 20.897 347 HH21 ARG 49 HH21 ARG 49 1.934 -0.290 21.249 348 HH22 ARG 49 HH22 ARG 49 3.219 0.708 21.840 349 H ASN 50 H ASN 50 1.857 -2.410 14.188 350 HA ASN 50 HA ASN 50 -0.692 -2.053 12.930 351 HB2 ASN 50 HB2 ASN 50 -0.304 0.383 12.407 352 HB3 ASN 50 3HB ASN 50 -0.716 0.042 14.085 353 HD21 ASN 50 HD21 ASN 50 0.221 1.940 14.810 354 HD22 ASN 50 HD22 ASN 50 1.932 2.161 14.873 355 H VAL 51 H VAL 51 2.017 -3.349 12.640 356 HA VAL 51 HA VAL 51 3.256 -2.151 10.358 357 HB VAL 51 HB VAL 51 3.558 -4.988 11.349 358 HG11 VAL 51 HG11 VAL 51 5.928 -4.440 10.328 359 HG12 VAL 51 HG12 VAL 51 4.603 -5.018 9.315 360 HG13 VAL 51 HG13 VAL 51 4.991 -3.298 9.366 361 HG21 VAL 51 HG21 VAL 51 5.748 -3.361 12.103 362 HG22 VAL 51 HG22 VAL 51 4.273 -2.541 12.617 363 HG23 VAL 51 HG23 VAL 51 4.595 -4.193 13.145 364 H ALA 52 H ALA 52 1.262 -5.067 10.815 365 HA ALA 52 HA ALA 52 1.120 -5.724 8.067 366 HB1 ALA 52 HB1 ALA 52 0.534 -7.080 10.277 367 HB2 ALA 52 HB2 ALA 52 -1.093 -6.536 9.864 368 HB3 ALA 52 HB3 ALA 52 -0.161 -7.488 8.708 369 H GLY 53 H GLY 53 -0.503 -3.381 9.981 370 HA2 GLY 53 HA1 GLY 53 -2.871 -3.181 8.376 371 HA3 GLY 53 HA2 GLY 53 -2.333 -2.030 9.590 372 H GLU 54 H GLU 54 0.063 -1.181 8.669 373 HA GLU 54 HA GLU 54 -0.666 0.655 6.655 374 HB2 GLU 54 HB2 GLU 54 1.766 1.247 6.651 375 HB3 GLU 54 HB3 GLU 54 1.017 1.277 8.241 376 HG2 GLU 54 HG2 GLU 54 1.938 -1.004 8.638 377 HG3 GLU 54 HG3 GLU 54 2.815 -0.854 7.117 378 H ILE 55 H ILE 55 1.436 -2.209 6.582 379 HA ILE 55 HA ILE 55 2.100 -2.009 3.842 380 HB ILE 55 HB ILE 55 2.117 -4.379 5.710 381 HG12 ILE 55 HG12 ILE 55 4.651 -3.380 4.666 382 HG13 ILE 55 HG13 ILE 55 3.767 -2.152 5.564 383 HG21 ILE 55 HG21 ILE 55 1.884 -5.240 3.485 384 HG22 ILE 55 HG22 ILE 55 3.137 -4.155 2.884 385 HG23 ILE 55 HG23 ILE 55 3.558 -5.460 3.994 386 HD11 ILE 55 HD11 ILE 55 3.746 -4.662 6.970 387 HD12 ILE 55 HD12 ILE 55 5.393 -4.148 6.599 388 HD13 ILE 55 HD13 ILE 55 4.315 -3.078 7.495 389 H ALA 56 H ALA 56 -0.586 -3.459 5.550 390 HA ALA 56 HA ALA 56 -1.632 -5.217 3.738 391 HB1 ALA 56 HB1 ALA 56 -2.653 -3.652 5.937 392 HB2 ALA 56 HB2 ALA 56 -3.866 -3.842 4.669 393 HB3 ALA 56 HB3 ALA 56 -3.116 -5.264 5.392 394 H ALA 57 H ALA 57 -2.161 -1.699 3.791 395 HA ALA 57 HA ALA 57 -3.893 -1.430 1.675 396 HB1 ALA 57 HB1 ALA 57 -3.426 0.506 2.901 397 HB2 ALA 57 HB2 ALA 57 -1.687 0.350 2.655 398 HB3 ALA 57 HB3 ALA 57 -2.728 0.817 1.311 399 H ALA 58 H ALA 58 -0.332 -1.315 1.485 400 HA ALA 58 HA ALA 58 -0.058 -1.047 -1.249 401 HB1 ALA 58 HB1 ALA 58 2.012 -2.762 -0.459 402 HB2 ALA 58 HB2 ALA 58 2.055 -1.003 -0.569 403 HB3 ALA 58 HB3 ALA 58 1.629 -1.781 0.955 404 H LEU 59 H LEU 59 -0.890 -3.879 0.613 405 HA LEU 59 HA LEU 59 -0.394 -5.801 -1.419 406 HB2 LEU 59 HB2 LEU 59 -2.418 -6.085 0.781 407 HB3 LEU 59 3HB LEU 59 -1.497 -7.352 -0.028 408 HG LEU 59 HG LEU 59 -0.615 -5.448 2.110 409 HD11 LEU 59 HD11 LEU 59 -0.335 -7.296 3.377 410 HD12 LEU 59 HD12 LEU 59 0.182 -8.288 2.014 411 HD13 LEU 59 HD13 LEU 59 -1.533 -7.961 2.266 412 HD21 LEU 59 HD21 LEU 59 1.668 -6.746 1.517 413 HD22 LEU 59 HD22 LEU 59 1.272 -5.136 0.917 414 HD23 LEU 59 HD23 LEU 59 0.993 -6.550 -0.100 415 H TYR 60 H TYR 60 -3.545 -4.761 -0.107 416 HA TYR 60 HA TYR 60 -5.075 -5.772 -2.210 417 HB2 TYR 60 HB2 TYR 60 -5.801 -3.363 -0.538 418 HB3 TYR 60 3HB TYR 60 -6.898 -4.493 -1.323 419 HD1 TYR 60 HD1 TYR 60 -7.117 -6.812 -0.439 420 HD2 TYR 60 HD2 TYR 60 -4.884 -3.825 1.608 421 HE1 TYR 60 HE1 TYR 60 -7.202 -8.165 1.613 422 HE2 TYR 60 HE2 TYR 60 -4.961 -5.170 3.667 423 HH TYR 60 HH TYR 60 -6.933 -8.031 3.918 424 H ALA 61 H ALA 61 -3.214 -2.870 -1.965 425 HA ALA 61 HA ALA 61 -4.493 -1.320 -3.941 426 HB1 ALA 61 HB1 ALA 61 -2.909 -0.358 -2.365 427 HB2 ALA 61 HB2 ALA 61 -1.602 -1.301 -3.082 428 HB3 ALA 61 HB3 ALA 61 -2.403 -0.046 -4.026 429 H VAL 62 H VAL 62 -1.904 -3.721 -4.114 430 HA VAL 62 HA VAL 62 -1.450 -3.344 -6.921 431 HB VAL 62 HB VAL 62 -0.604 -5.595 -5.092 432 HG11 VAL 62 HG11 VAL 62 0.990 -6.188 -6.840 433 HG12 VAL 62 HG12 VAL 62 -0.667 -6.299 -7.435 434 HG13 VAL 62 HG13 VAL 62 0.340 -4.918 -7.877 435 HG21 VAL 62 HG21 VAL 62 1.424 -4.488 -4.795 436 HG22 VAL 62 HG22 VAL 62 1.158 -3.426 -6.178 437 HG23 VAL 62 HG23 VAL 62 0.233 -3.191 -4.697 438 H LYS 63 H LYS 63 -3.156 -5.742 -4.945 439 HA LYS 63 HA LYS 63 -3.860 -7.570 -6.888 440 HB2 LYS 63 HB2 LYS 63 -5.563 -6.641 -4.569 441 HB3 LYS 63 HB3 LYS 63 -5.776 -8.141 -5.461 442 HG2 LYS 63 HG2 LYS 63 -3.587 -8.908 -4.699 443 HG3 LYS 63 HG3 LYS 63 -3.370 -7.402 -3.806 444 HD2 LYS 63 HD2 LYS 63 -4.387 -8.342 -2.067 445 HD3 LYS 63 HD3 LYS 63 -5.867 -8.429 -3.025 446 HE2 LYS 63 HE2 LYS 63 -3.791 -10.528 -3.409 447 HE3 LYS 63 HE3 LYS 63 -4.789 -10.587 -1.957 448 HZ1 LYS 63 HZ1 LYS 63 -5.608 -10.848 -4.774 449 HZ2 LYS 63 HZ2 LYS 63 -6.723 -10.333 -3.613 450 HZ3 LYS 63 HZ3 LYS 63 -5.980 -11.845 -3.459 451 H LYS 64 H LYS 64 -5.608 -4.624 -5.937 452 HA LYS 64 HA LYS 64 -7.615 -4.965 -7.958 453 HB2 LYS 64 HB2 LYS 64 -7.250 -3.338 -5.662 454 HB3 LYS 64 HB3 LYS 64 -7.477 -2.259 -7.033 455 HG2 LYS 64 HG2 LYS 64 -9.612 -2.670 -6.086 456 HG3 LYS 64 HG3 LYS 64 -9.534 -3.558 -7.609 457 HD2 LYS 64 HD2 LYS 64 -10.413 -5.173 -6.242 458 HD3 LYS 64 HD3 LYS 64 -8.690 -5.502 -6.041 459 HE2 LYS 64 HE2 LYS 64 -8.892 -3.805 -4.067 460 HE3 LYS 64 HE3 LYS 64 -10.610 -4.192 -4.161 461 HZ1 LYS 64 HZ1 LYS 64 -8.884 -6.498 -4.180 462 HZ2 LYS 64 HZ2 LYS 64 -10.278 -6.199 -3.273 463 HZ3 LYS 64 HZ3 LYS 64 -8.786 -5.592 -2.756 464 H ALA 65 H ALA 65 -4.574 -3.273 -7.681 465 HA ALA 65 HA ALA 65 -4.752 -1.411 -9.710 466 HB1 ALA 65 HB1 ALA 65 -2.389 -3.080 -8.866 467 HB2 ALA 65 HB2 ALA 65 -2.288 -1.691 -9.948 468 HB3 ALA 65 HB3 ALA 65 -2.830 -1.474 -8.283 469 H SER 66 H SER 66 -4.342 -4.881 -9.928 470 HA SER 66 HA SER 66 -3.670 -4.892 -12.714 471 HB2 SER 66 HB2 SER 66 -2.886 -6.769 -11.528 472 HB3 SER 66 3HB SER 66 -4.440 -7.027 -10.735 473 HG SER 66 HG SER 66 -3.644 -8.298 -12.786 474 H GLN 67 H GLN 67 -6.603 -4.977 -10.847 475 HA GLN 67 HA GLN 67 -8.298 -5.934 -12.932 476 HB2 GLN 67 HB2 GLN 67 -8.977 -4.378 -10.431 477 HB3 GLN 67 HB3 GLN 67 -10.141 -5.185 -11.474 478 HG2 GLN 67 HG2 GLN 67 -8.707 -7.297 -10.980 479 HG3 GLN 67 HG3 GLN 67 -8.148 -6.360 -9.596 480 HE21 GLN 67 HE21 GLN 67 -10.022 -5.280 -8.375 481 HE22 GLN 67 HE22 GLN 67 -11.378 -6.297 -8.041 482 H LEU 68 H LEU 68 -7.488 -2.720 -11.681 483 HA LEU 68 HA LEU 68 -9.207 -1.369 -13.545 484 HB2 LEU 68 HB2 LEU 68 -6.967 -0.224 -11.886 485 HB3 LEU 68 3HB LEU 68 -8.284 0.666 -12.647 486 HG LEU 68 HG LEU 68 -9.522 -1.195 -10.962 487 HD11 LEU 68 HD11 LEU 68 -7.750 0.263 -9.137 488 HD12 LEU 68 HD12 LEU 68 -6.976 -1.039 -10.039 489 HD13 LEU 68 HD13 LEU 68 -8.388 -1.378 -9.038 490 HD21 LEU 68 HD21 LEU 68 -8.960 1.737 -10.530 491 HD22 LEU 68 HD22 LEU 68 -10.224 0.793 -9.741 492 HD23 LEU 68 HD23 LEU 68 -10.287 1.072 -11.483 493 H GLY 69 H GLY 69 -6.346 -2.953 -13.933 494 HA2 GLY 69 HA1 GLY 69 -4.865 -3.046 -15.688 495 HA3 GLY 69 HA2 GLY 69 -5.920 -1.928 -16.542 496 H VAL 70 H VAL 70 -4.973 -0.736 -13.531 497 HA VAL 70 HA VAL 70 -3.058 1.066 -14.836 498 HB VAL 70 HB VAL 70 -3.467 2.646 -13.114 499 HG11 VAL 70 HG11 VAL 70 -5.599 3.232 -13.647 500 HG12 VAL 70 HG12 VAL 70 -5.364 1.962 -14.848 501 HG13 VAL 70 HG13 VAL 70 -6.237 1.614 -13.354 502 HG21 VAL 70 HG21 VAL 70 -5.329 1.700 -11.359 503 HG22 VAL 70 HG22 VAL 70 -4.315 0.280 -11.608 504 HG23 VAL 70 HG23 VAL 70 -3.597 1.789 -11.044 505 H LYS 71 H LYS 71 -1.610 2.012 -12.771 506 HA LYS 71 HA LYS 71 -0.423 -0.273 -11.387 507 HB2 LYS 71 HB2 LYS 71 1.233 1.668 -13.008 508 HB3 LYS 71 HB3 LYS 71 1.821 0.277 -12.106 509 HG2 LYS 71 HG2 LYS 71 1.790 -0.652 -14.164 510 HG3 LYS 71 HG3 LYS 71 0.114 -0.983 -13.715 511 HD2 LYS 71 HD2 LYS 71 -0.168 1.478 -14.761 512 HD3 LYS 71 HD3 LYS 71 1.217 0.912 -15.699 513 HE2 LYS 71 HE2 LYS 71 -1.275 -0.736 -15.374 514 HE3 LYS 71 HE3 LYS 71 -1.114 0.472 -16.648 515 HZ1 LYS 71 HZ1 LYS 71 0.523 -1.965 -16.247 516 HZ2 LYS 71 HZ2 LYS 71 0.972 -0.724 -17.305 517 HZ3 LYS 71 HZ3 LYS 71 -0.461 -1.582 -17.568 518 H ILE 72 H ILE 72 1.745 0.909 -10.260 519 HA ILE 72 HA ILE 72 0.780 3.355 -8.963 520 HB ILE 72 HB ILE 72 1.432 2.501 -6.749 521 HG12 ILE 72 HG12 ILE 72 1.889 -0.059 -8.283 522 HG13 ILE 72 HG13 ILE 72 3.047 0.825 -7.295 523 HG21 ILE 72 HG21 ILE 72 -0.646 1.754 -6.385 524 HG22 ILE 72 HG22 ILE 72 -0.888 2.033 -8.109 525 HG23 ILE 72 HG23 ILE 72 -0.470 0.422 -7.527 526 HD11 ILE 72 HD11 ILE 72 0.776 -0.912 -6.444 527 HD12 ILE 72 HD12 ILE 72 2.468 -0.952 -5.948 528 HD13 ILE 72 HD13 ILE 72 1.407 0.329 -5.363 529 H ARG 73 H ARG 73 2.644 4.000 -7.267 530 HA ARG 73 HA ARG 73 4.794 4.905 -8.747 531 HB2 ARG 73 HB2 ARG 73 4.215 5.881 -6.604 532 HB3 ARG 73 HB3 ARG 73 4.626 4.385 -5.774 533 HG2 ARG 73 HG2 ARG 73 6.423 5.868 -5.421 534 HG3 ARG 73 HG3 ARG 73 6.976 4.694 -6.618 535 HD2 ARG 73 HD2 ARG 73 6.316 6.358 -8.388 536 HD3 ARG 73 HD3 ARG 73 6.068 7.526 -7.089 537 HE ARG 73 HE ARG 73 8.665 6.282 -7.079 538 HH11 ARG 73 HH11 ARG 73 6.734 8.909 -8.301 539 HH12 ARG 73 HH12 ARG 73 8.094 9.937 -8.610 540 HH21 ARG 73 HH21 ARG 73 10.463 7.627 -7.481 541 HH22 ARG 73 HH22 ARG 73 10.214 9.207 -8.143 542 H ILE 74 H ILE 74 6.153 3.652 -9.856 543 HA ILE 74 HA ILE 74 7.276 1.279 -8.518 544 HB ILE 74 HB ILE 74 7.855 0.511 -10.847 545 HG12 ILE 74 HG12 ILE 74 5.863 2.625 -11.684 546 HG13 ILE 74 HG13 ILE 74 7.605 2.798 -11.865 547 HG21 ILE 74 HG21 ILE 74 5.611 0.142 -9.369 548 HG22 ILE 74 HG22 ILE 74 4.927 0.722 -10.887 549 HG23 ILE 74 HG23 ILE 74 5.964 -0.704 -10.876 550 HD11 ILE 74 HD11 ILE 74 6.114 0.492 -13.060 551 HD12 ILE 74 HD12 ILE 74 6.281 2.038 -13.893 552 HD13 ILE 74 HD13 ILE 74 7.716 1.104 -13.470 553 H LEU 75 H LEU 75 7.973 4.377 -9.683 554 HA LEU 75 HA LEU 75 10.714 3.945 -10.395 555 HB2 LEU 75 HB2 LEU 75 8.948 6.309 -10.010 556 HB3 LEU 75 3HB LEU 75 10.693 6.552 -9.995 557 HG LEU 75 HG LEU 75 9.677 7.001 -12.194 558 HD11 LEU 75 HD11 LEU 75 11.532 4.628 -12.089 559 HD12 LEU 75 HD12 LEU 75 11.997 6.328 -12.087 560 HD13 LEU 75 HD13 LEU 75 11.234 5.626 -13.512 561 HD21 LEU 75 HD21 LEU 75 9.211 4.074 -12.548 562 HD22 LEU 75 HD22 LEU 75 8.529 5.436 -13.435 563 HD23 LEU 75 HD23 LEU 75 7.963 5.073 -11.804 564 H HIS 76 H HIS 76 10.982 2.668 -8.285 565 HA HIS 76 HA HIS 76 11.860 2.462 -6.190 566 HB2 HIS 76 HB2 HIS 76 13.184 4.981 -7.185 567 HB3 HIS 76 3HB HIS 76 13.595 4.257 -5.634 568 HD1 HIS 76 HD1 HIS 76 12.850 1.862 -8.334 569 HD2 HIS 76 HD2 HIS 76 16.186 3.778 -6.766 570 HE1 HIS 76 HE1 HIS 76 14.834 0.614 -9.248 571 H ASP 77 H ASP 77 9.440 3.053 -5.708 572 HA ASP 77 HA ASP 77 8.647 5.484 -4.677 573 HB2 ASP 77 HB2 ASP 77 7.164 3.516 -5.024 574 HB3 ASP 77 3HB ASP 77 7.868 2.769 -3.593 575 H TYR 78 H TYR 78 9.681 6.689 -3.232 576 HA TYR 78 HA TYR 78 11.290 5.478 -1.151 577 HB2 TYR 78 HB2 TYR 78 11.938 7.558 -2.472 578 HB3 TYR 78 3HB TYR 78 10.734 8.420 -1.520 579 HD1 TYR 78 HD1 TYR 78 13.250 5.828 -0.570 580 HD2 TYR 78 HD2 TYR 78 11.854 9.813 -0.051 581 HE1 TYR 78 HE1 TYR 78 14.912 6.172 1.210 582 HE2 TYR 78 HE2 TYR 78 13.513 10.168 1.730 583 HH TYR 78 HH TYR 78 15.621 9.266 2.489 584 H ALA 79 H ALA 79 8.765 4.686 -0.711 585 HA ALA 79 HA ALA 79 7.597 6.475 1.289 586 HB1 ALA 79 HB1 ALA 79 6.473 3.860 0.307 587 HB2 ALA 79 HB2 ALA 79 5.629 5.151 1.164 588 HB3 ALA 79 HB3 ALA 79 6.182 5.406 -0.491 589 H GLY 80 H GLY 80 6.343 4.624 2.925 590 HA2 GLY 80 HA1 GLY 80 8.209 4.134 4.899 591 HA3 GLY 80 HA2 GLY 80 6.679 3.281 4.760 592 H ILE 81 H ILE 81 7.277 2.051 2.220 593 HA ILE 81 HA ILE 81 8.407 -0.343 3.071 594 HB ILE 81 HB ILE 81 7.969 0.817 0.338 595 HG12 ILE 81 HG12 ILE 81 6.401 -1.155 0.221 596 HG13 ILE 81 HG13 ILE 81 6.773 -1.469 1.913 597 HG21 ILE 81 HG21 ILE 81 9.464 -1.669 1.061 598 HG22 ILE 81 HG22 ILE 81 8.523 -1.596 -0.427 599 HG23 ILE 81 HG23 ILE 81 9.838 -0.454 -0.161 600 HD11 ILE 81 HD11 ILE 81 5.630 1.124 0.917 601 HD12 ILE 81 HD12 ILE 81 4.655 -0.222 1.509 602 HD13 ILE 81 HD13 ILE 81 5.793 0.586 2.587 603 H ALA 82 H ALA 82 9.923 2.565 1.984 604 HA ALA 82 HA ALA 82 12.362 1.660 1.029 605 HB1 ALA 82 HB1 ALA 82 11.819 4.129 2.674 606 HB2 ALA 82 HB2 ALA 82 13.264 3.838 1.706 607 HB3 ALA 82 HB3 ALA 82 11.692 3.994 0.921 608 H PHE 83 H PHE 83 11.105 1.583 4.237 609 HA PHE 83 HA PHE 83 13.345 1.629 5.832 610 HB2 PHE 83 HB2 PHE 83 10.779 1.213 6.357 611 HB3 PHE 83 3HB PHE 83 11.294 -0.471 6.375 612 HD1 PHE 83 HD1 PHE 83 12.812 2.707 7.612 613 HD2 PHE 83 HD2 PHE 83 11.502 -1.238 8.522 614 HE1 PHE 83 HE1 PHE 83 13.605 2.980 9.925 615 HE2 PHE 83 HE2 PHE 83 12.291 -0.972 10.837 616 HZ PHE 83 HZ PHE 83 13.346 1.140 11.540 617 H TRP 84 H TRP 84 11.903 -1.282 4.358 618 HA TRP 84 HA TRP 84 14.112 -2.941 5.081 619 HB2 TRP 84 HB2 TRP 84 11.958 -3.467 3.022 620 HB3 TRP 84 3HB TRP 84 13.002 -4.666 3.779 621 HD1 TRP 84 HD1 TRP 84 12.606 -5.009 6.512 622 HE1 TRP 84 HE1 TRP 84 10.408 -4.905 7.848 623 HE3 TRP 84 HE3 TRP 84 9.739 -2.423 3.160 624 HZ2 TRP 84 HZ2 TRP 84 7.804 -3.864 7.523 625 HZ3 TRP 84 HZ3 TRP 84 7.405 -1.916 3.749 626 HH2 TRP 84 HH2 TRP 84 6.459 -2.622 5.887 627 H ALA 85 H ALA 85 13.276 -1.011 2.302 628 HA ALA 85 HA ALA 85 14.826 -2.104 0.307 629 HB1 ALA 85 HB1 ALA 85 14.825 0.857 0.606 630 HB2 ALA 85 HB2 ALA 85 14.558 -0.135 -0.829 631 HB3 ALA 85 HB3 ALA 85 13.286 0.027 0.381 632 H THR 86 H THR 86 15.841 -0.348 3.135 633 HA THR 86 HA THR 86 18.470 0.278 2.254 634 HB THR 86 HB THR 86 18.968 0.813 4.553 635 HG1 THR 86 HG1 THR 86 16.674 -0.762 5.066 636 HG21 THR 86 HG21 THR 86 17.405 2.523 4.911 637 HG22 THR 86 HG22 THR 86 16.083 1.583 4.217 638 HG23 THR 86 HG23 THR 86 17.340 2.244 3.171 639 H GLY 87 H GLY 87 17.054 -2.441 4.010 640 HA2 GLY 87 HA1 GLY 87 17.843 -4.600 4.234 641 HA3 GLY 87 HA2 GLY 87 19.207 -4.161 3.216 642 H GLU 88 H GLU 88 17.940 -3.580 6.495 643 HA GLU 88 HA GLU 88 20.699 -3.385 7.466 644 HB2 GLU 88 HB2 GLU 88 19.131 -1.573 8.071 645 HB3 GLU 88 HB3 GLU 88 18.108 -2.747 8.886 646 HG2 GLU 88 HG2 GLU 88 19.903 -3.235 10.459 647 HG3 GLU 88 HG3 GLU 88 20.945 -2.075 9.635 648 H TRP 89 H TRP 89 17.646 -4.776 8.683 649 HA TRP 89 HA TRP 89 18.629 -7.397 8.939 650 HB2 TRP 89 HB2 TRP 89 19.017 -7.586 11.305 651 HB3 TRP 89 3HB TRP 89 20.033 -6.284 10.692 652 HD1 TRP 89 HD1 TRP 89 17.334 -4.250 10.679 653 HE1 TRP 89 HE1 TRP 89 16.742 -3.167 12.938 654 HE3 TRP 89 HE3 TRP 89 19.845 -7.436 13.791 655 HZ2 TRP 89 HZ2 TRP 89 17.271 -3.603 15.675 656 HZ3 TRP 89 HZ3 TRP 89 19.751 -7.033 16.217 657 HH2 TRP 89 HH2 TRP 89 18.490 -5.156 17.137 658 H LYS 90 H LYS 90 17.123 -8.823 10.064 659 HA LYS 90 HA LYS 90 14.401 -7.806 9.852 660 HB2 LYS 90 HB2 LYS 90 13.787 -10.233 10.103 661 HB3 LYS 90 HB3 LYS 90 14.774 -9.861 8.695 662 HG2 LYS 90 HG2 LYS 90 16.513 -10.496 10.846 663 HG3 LYS 90 HG3 LYS 90 15.265 -11.741 10.752 664 HD2 LYS 90 HD2 LYS 90 15.879 -11.434 8.131 665 HD3 LYS 90 HD3 LYS 90 17.440 -11.092 8.879 666 HE2 LYS 90 HE2 LYS 90 17.266 -13.452 8.365 667 HE3 LYS 90 HE3 LYS 90 17.289 -13.216 10.112 668 HZ1 LYS 90 HZ1 LYS 90 15.445 -14.421 10.174 669 HZ2 LYS 90 HZ2 LYS 90 15.288 -14.417 8.490 670 HZ3 LYS 90 HZ3 LYS 90 14.634 -13.152 9.403 671 H ALA 91 H ALA 91 14.017 -6.649 11.702 672 HA ALA 91 HA ALA 91 14.701 -7.651 14.303 673 HB1 ALA 91 HB1 ALA 91 14.441 -5.191 13.512 674 HB2 ALA 91 HB2 ALA 91 12.733 -5.445 13.868 675 HB3 ALA 91 HB3 ALA 91 13.938 -5.639 15.141 676 H LYS 92 H LYS 92 11.667 -7.208 12.503 677 HA LYS 92 HA LYS 92 10.016 -8.332 14.523 678 HB2 LYS 92 HB2 LYS 92 9.685 -7.219 11.875 679 HB3 LYS 92 HB3 LYS 92 8.710 -8.670 12.064 680 HG2 LYS 92 HG2 LYS 92 8.667 -6.319 13.945 681 HG3 LYS 92 HG3 LYS 92 7.508 -6.596 12.644 682 HD2 LYS 92 HD2 LYS 92 6.907 -8.755 13.695 683 HD3 LYS 92 HD3 LYS 92 8.000 -8.380 15.028 684 HE2 LYS 92 HE2 LYS 92 6.109 -6.237 14.444 685 HE3 LYS 92 HE3 LYS 92 5.327 -7.749 14.906 686 HZ1 LYS 92 HZ1 LYS 92 7.288 -7.561 16.726 687 HZ2 LYS 92 HZ2 LYS 92 5.705 -7.020 16.973 688 HZ3 LYS 92 HZ3 LYS 92 6.907 -5.929 16.499 689 H ASN 93 H ASN 93 11.129 -9.627 11.391 690 HA ASN 93 HA ASN 93 11.091 -11.773 10.574 691 HB2 ASN 93 HB2 ASN 93 12.459 -13.312 11.907 692 HB3 ASN 93 3HB ASN 93 13.171 -11.701 11.882 693 HD21 ASN 93 HD21 ASN 93 11.848 -14.195 13.803 694 HD22 ASN 93 HD22 ASN 93 12.048 -13.430 15.339 695 H GLU 94 H GLU 94 8.592 -11.076 11.661 696 HA GLU 94 HA GLU 94 7.726 -13.638 12.833 697 HB2 GLU 94 HB2 GLU 94 7.140 -10.878 13.570 698 HB3 GLU 94 HB3 GLU 94 5.682 -11.828 13.318 699 HG2 GLU 94 HG2 GLU 94 7.885 -12.907 15.015 700 HG3 GLU 94 HG3 GLU 94 6.767 -11.713 15.670 701 H PHE 95 H PHE 95 5.964 -10.948 11.324 702 HA PHE 95 HA PHE 95 4.884 -12.873 9.370 703 HB2 PHE 95 HB2 PHE 95 3.436 -11.570 11.288 704 HB3 PHE 95 3HB PHE 95 3.264 -10.478 9.918 705 HD1 PHE 95 HD1 PHE 95 2.089 -11.162 7.918 706 HD2 PHE 95 HD2 PHE 95 2.494 -13.792 11.240 707 HE1 PHE 95 HE1 PHE 95 0.335 -12.610 6.981 708 HE2 PHE 95 HE2 PHE 95 0.740 -15.244 10.308 709 HZ PHE 95 HZ PHE 95 -0.343 -14.653 8.176 710 H THR 96 H THR 96 6.534 -9.938 9.869 711 HA THR 96 HA THR 96 5.876 -8.400 7.666 712 HB THR 96 HB THR 96 8.763 -8.565 8.347 713 HG1 THR 96 HG1 THR 96 8.051 -7.231 10.305 714 HG21 THR 96 HG21 THR 96 6.779 -6.571 7.511 715 HG22 THR 96 HG22 THR 96 8.512 -6.646 7.197 716 HG23 THR 96 HG23 THR 96 7.922 -5.998 8.726 717 H GLN 97 H GLN 97 7.941 -11.235 7.869 718 HA GLN 97 HA GLN 97 9.206 -11.065 5.389 719 HB2 GLN 97 HB2 GLN 97 8.315 -13.640 6.680 720 HB3 GLN 97 HB3 GLN 97 9.693 -13.390 5.617 721 HG2 GLN 97 HG2 GLN 97 10.836 -13.378 7.545 722 HG3 GLN 97 HG3 GLN 97 10.328 -11.691 7.594 723 HE21 GLN 97 HE21 GLN 97 10.353 -14.610 9.220 724 HE22 GLN 97 HE22 GLN 97 9.197 -14.237 10.450 725 H ALA 98 H ALA 98 6.073 -12.448 6.271 726 HA ALA 98 HA ALA 98 5.359 -13.701 3.933 727 HB1 ALA 98 HB1 ALA 98 4.053 -13.579 6.092 728 HB2 ALA 98 HB2 ALA 98 3.435 -12.026 5.526 729 HB3 ALA 98 HB3 ALA 98 3.103 -13.494 4.608 730 H TYR 99 H TYR 99 5.339 -10.258 4.653 731 HA TYR 99 HA TYR 99 3.852 -9.293 2.528 732 HB2 TYR 99 HB2 TYR 99 4.625 -7.839 4.313 733 HB3 TYR 99 3HB TYR 99 6.300 -8.083 3.830 734 HD1 TYR 99 HD1 TYR 99 3.596 -7.615 1.385 735 HD2 TYR 99 HD2 TYR 99 6.765 -5.740 3.517 736 HE1 TYR 99 HE1 TYR 99 3.443 -5.669 -0.111 737 HE2 TYR 99 HE2 TYR 99 6.620 -3.789 2.027 738 HH TYR 99 HH TYR 99 4.076 -3.504 -0.387 739 H ALA 100 H ALA 100 7.342 -9.962 2.638 740 HA ALA 100 HA ALA 100 7.934 -9.186 0.012 741 HB1 ALA 100 HB1 ALA 100 9.579 -11.393 0.872 742 HB2 ALA 100 HB2 ALA 100 10.007 -9.699 0.625 743 HB3 ALA 100 HB3 ALA 100 9.348 -10.227 2.174 744 H LYS 101 H LYS 101 6.488 -12.075 1.286 745 HA LYS 101 HA LYS 101 6.934 -13.698 -1.029 746 HB2 LYS 101 HB2 LYS 101 4.759 -14.129 1.009 747 HB3 LYS 101 HB3 LYS 101 5.599 -15.332 0.039 748 HG2 LYS 101 HG2 LYS 101 6.806 -13.714 2.274 749 HG3 LYS 101 HG3 LYS 101 6.311 -15.406 2.363 750 HD2 LYS 101 HD2 LYS 101 7.931 -15.875 0.503 751 HD3 LYS 101 HD3 LYS 101 8.516 -14.219 0.685 752 HE2 LYS 101 HE2 LYS 101 9.540 -14.656 2.671 753 HE3 LYS 101 HE3 LYS 101 8.363 -15.884 3.133 754 HZ1 LYS 101 HZ1 LYS 101 10.147 -17.194 2.687 755 HZ2 LYS 101 HZ2 LYS 101 10.791 -16.148 1.524 756 HZ3 LYS 101 HZ3 LYS 101 9.481 -17.143 1.133 757 H LEU 102 H LEU 102 4.084 -12.007 0.275 758 HA LEU 102 HA LEU 102 2.272 -12.638 -1.723 759 HB2 LEU 102 HB2 LEU 102 2.553 -10.503 0.283 760 HB3 LEU 102 3HB LEU 102 1.527 -10.108 -1.095 761 HG LEU 102 HG LEU 102 1.150 -12.442 0.781 762 HD11 LEU 102 HD11 LEU 102 0.666 -10.204 1.746 763 HD12 LEU 102 HD12 LEU 102 -0.749 -11.252 1.627 764 HD13 LEU 102 HD13 LEU 102 -0.513 -9.951 0.459 765 HD21 LEU 102 HD21 LEU 102 -0.286 -13.304 -0.678 766 HD22 LEU 102 HD22 LEU 102 0.293 -12.134 -1.863 767 HD23 LEU 102 HD23 LEU 102 -1.110 -11.756 -0.862 768 H MET 103 H MET 103 4.970 -10.479 -1.806 769 HA MET 103 HA MET 103 4.294 -8.702 -3.805 770 HB2 MET 103 HB2 MET 103 6.394 -8.576 -2.557 771 HB3 MET 103 HB3 MET 103 6.966 -10.039 -3.347 772 HG2 MET 103 HG2 MET 103 6.167 -8.073 -5.290 773 HG3 MET 103 HG3 MET 103 7.351 -7.409 -4.166 774 HE1 MET 103 HE1 MET 103 10.180 -8.159 -6.462 775 HE2 MET 103 HE2 MET 103 8.839 -7.023 -6.313 776 HE3 MET 103 HE3 MET 103 9.798 -7.447 -4.893 777 H ASN 104 H ASN 104 6.187 -11.675 -4.369 778 HA ASN 104 HA ASN 104 5.968 -11.673 -7.139 779 HB2 ASN 104 HB2 ASN 104 7.572 -13.093 -6.016 780 HB3 ASN 104 3HB ASN 104 6.281 -14.001 -5.235 781 HD21 ASN 104 HD21 ASN 104 4.911 -15.310 -6.559 782 HD22 ASN 104 HD22 ASN 104 5.505 -15.951 -8.050 783 H GLN 105 H GLN 105 3.727 -12.771 -4.701 784 HA GLN 105 HA GLN 105 2.081 -14.468 -6.098 785 HB2 GLN 105 HB2 GLN 105 1.964 -13.113 -3.668 786 HB3 GLN 105 HB3 GLN 105 0.526 -12.583 -4.529 787 HG2 GLN 105 HG2 GLN 105 1.251 -15.480 -4.235 788 HG3 GLN 105 HG3 GLN 105 0.286 -14.611 -3.042 789 HE21 GLN 105 HE21 GLN 105 -1.423 -13.146 -4.365 790 HE22 GLN 105 HE22 GLN 105 -2.412 -14.082 -5.427 791 H TYR 106 H TYR 106 1.930 -10.919 -6.019 792 HA TYR 106 HA TYR 106 0.374 -11.025 -8.516 793 HB2 TYR 106 HB2 TYR 106 -0.637 -8.797 -7.611 794 HB3 TYR 106 3HB TYR 106 -1.273 -10.332 -7.032 795 HD1 TYR 106 HD1 TYR 106 1.491 -7.971 -6.136 796 HD2 TYR 106 HD2 TYR 106 -1.679 -10.460 -4.773 797 HE1 TYR 106 HE1 TYR 106 1.956 -7.284 -3.821 798 HE2 TYR 106 HE2 TYR 106 -1.224 -9.779 -2.453 799 HH TYR 106 HH TYR 106 0.026 -8.535 -1.110 800 H ARG 107 H ARG 107 3.213 -10.770 -8.211 801 HA ARG 107 HA ARG 107 3.888 -7.991 -8.582 802 HB2 ARG 107 HB2 ARG 107 5.557 -9.277 -7.508 803 HB3 ARG 107 HB3 ARG 107 5.457 -10.557 -8.710 804 HG2 ARG 107 HG2 ARG 107 6.185 -8.017 -9.894 805 HG3 ARG 107 HG3 ARG 107 7.309 -8.510 -8.625 806 HD2 ARG 107 HD2 ARG 107 7.428 -10.755 -9.746 807 HD3 ARG 107 HD3 ARG 107 6.513 -10.058 -11.082 808 HE ARG 107 HE ARG 107 9.291 -9.683 -10.518 809 HH11 ARG 107 HH11 ARG 107 6.475 -8.211 -11.939 810 HH12 ARG 107 HH12 ARG 107 7.384 -7.198 -13.010 811 HH21 ARG 107 HH21 ARG 107 10.500 -8.355 -11.924 812 HH22 ARG 107 HH22 ARG 107 9.673 -7.281 -13.002 813 H GLY 108 H GLY 108 3.964 -6.911 -10.448 814 HA2 GLY 108 HA1 GLY 108 4.845 -7.634 -12.895 815 HA3 GLY 108 HA2 GLY 108 3.205 -8.267 -12.888 816 H ILE 109 H ILE 109 2.460 -5.937 -11.071 817 HA ILE 109 HA ILE 109 2.125 -3.986 -13.247 818 HB ILE 109 HB ILE 109 0.273 -3.092 -11.707 819 HG12 ILE 109 HG12 ILE 109 1.236 -4.747 -9.858 820 HG13 ILE 109 HG13 ILE 109 -0.474 -4.333 -9.928 821 HG21 ILE 109 HG21 ILE 109 0.182 -5.663 -13.236 822 HG22 ILE 109 HG22 ILE 109 -1.267 -5.023 -12.461 823 HG23 ILE 109 HG23 ILE 109 -0.431 -4.073 -13.689 824 HD11 ILE 109 HD11 ILE 109 0.688 -6.771 -11.243 825 HD12 ILE 109 HD12 ILE 109 0.035 -6.758 -9.603 826 HD13 ILE 109 HD13 ILE 109 -1.012 -6.388 -10.973 827 H TYR 110 H TYR 110 3.146 -4.380 -9.915 828 HA TYR 110 HA TYR 110 4.038 -1.572 -9.903 829 HB2 TYR 110 HB2 TYR 110 3.664 -1.442 -7.600 830 HB3 TYR 110 3HB TYR 110 2.293 -2.386 -8.173 831 HD1 TYR 110 HD1 TYR 110 2.457 -4.939 -7.989 832 HD2 TYR 110 HD2 TYR 110 5.060 -2.282 -5.922 833 HE1 TYR 110 HE1 TYR 110 3.027 -6.735 -6.408 834 HE2 TYR 110 HE2 TYR 110 5.639 -4.071 -4.338 835 HH TYR 110 HH TYR 110 5.450 -6.250 -3.871 836 H SER 111 H SER 111 5.900 -1.355 -8.158 837 HA SER 111 HA SER 111 7.796 -3.572 -8.419 838 HB2 SER 111 HB2 SER 111 8.708 -0.750 -8.934 839 HB3 SER 111 3HB SER 111 9.525 -2.262 -9.328 840 HG SER 111 HG SER 111 7.883 -2.642 -10.884 841 H PHE 112 H PHE 112 9.464 -3.587 -6.851 842 HA PHE 112 HA PHE 112 9.840 -1.606 -4.896 843 HB2 PHE 112 HB2 PHE 112 7.607 -3.428 -4.436 844 HB3 PHE 112 3HB PHE 112 8.786 -3.463 -3.129 845 HD1 PHE 112 HD1 PHE 112 9.700 -0.804 -2.806 846 HD2 PHE 112 HD2 PHE 112 5.801 -2.150 -3.855 847 HE1 PHE 112 HE1 PHE 112 8.742 1.267 -1.887 848 HE2 PHE 112 HE2 PHE 112 4.837 -0.081 -2.938 849 HZ PHE 112 HZ PHE 112 6.307 1.631 -1.950 850 H GLU 113 H GLU 113 11.001 -2.582 -2.901 851 HA GLU 113 HA GLU 113 13.006 -4.414 -3.939 852 HB2 GLU 113 HB2 GLU 113 13.227 -2.188 -2.408 853 HB3 GLU 113 HB3 GLU 113 13.235 -3.429 -1.163 854 HG2 GLU 113 HG2 GLU 113 15.368 -3.824 -1.566 855 HG3 GLU 113 HG3 GLU 113 14.979 -4.271 -3.226 856 H LYS 114 H LYS 114 13.846 -6.143 -2.488 857 HA LYS 114 HA LYS 114 11.715 -7.870 -1.713 858 HB2 LYS 114 HB2 LYS 114 13.820 -8.709 -2.680 859 HB3 LYS 114 HB3 LYS 114 14.692 -8.150 -1.259 860 HG2 LYS 114 HG2 LYS 114 13.774 -9.790 0.105 861 HG3 LYS 114 HG3 LYS 114 12.428 -10.089 -0.997 862 HD2 LYS 114 HD2 LYS 114 14.054 -11.003 -2.642 863 HD3 LYS 114 HD3 LYS 114 15.323 -10.820 -1.429 864 HE2 LYS 114 HE2 LYS 114 14.638 -12.617 -0.259 865 HE3 LYS 114 HE3 LYS 114 12.930 -12.259 -0.515 866 HZ1 LYS 114 HZ1 LYS 114 14.663 -13.349 -2.654 867 HZ2 LYS 114 HZ2 LYS 114 12.973 -13.286 -2.613 868 HZ3 LYS 114 HZ3 LYS 114 13.806 -14.344 -1.588 869 H VAL 115 H VAL 115 10.701 -6.488 -0.104 870 HA VAL 115 HA VAL 115 11.824 -5.540 2.225 871 HB VAL 115 HB VAL 115 9.559 -5.861 3.267 872 HG11 VAL 115 HG11 VAL 115 10.319 -3.921 1.764 873 HG12 VAL 115 HG12 VAL 115 9.288 -4.655 0.534 874 HG13 VAL 115 HG13 VAL 115 8.592 -4.114 2.062 875 HG21 VAL 115 HG21 VAL 115 8.093 -7.299 2.417 876 HG22 VAL 115 HG22 VAL 115 8.171 -6.509 0.842 877 HG23 VAL 115 HG23 VAL 115 9.311 -7.795 1.242 878 H LYS 116 H LYS 116 13.084 -6.607 3.599 879 HA LYS 116 HA LYS 116 12.977 -9.429 3.967 880 HB2 LYS 116 HB2 LYS 116 14.516 -7.178 5.186 881 HB3 LYS 116 HB3 LYS 116 14.501 -8.731 6.010 882 HG2 LYS 116 HG2 LYS 116 15.048 -9.011 3.179 883 HG3 LYS 116 HG3 LYS 116 16.210 -7.955 3.985 884 HD2 LYS 116 HD2 LYS 116 16.057 -9.965 5.780 885 HD3 LYS 116 HD3 LYS 116 15.749 -10.853 4.285 886 HE2 LYS 116 HE2 LYS 116 17.831 -10.383 3.421 887 HE3 LYS 116 HE3 LYS 116 18.019 -8.920 4.387 888 HZ1 LYS 116 HZ1 LYS 116 18.110 -10.508 6.359 889 HZ2 LYS 116 HZ2 LYS 116 19.466 -10.443 5.350 890 HZ3 LYS 116 HZ3 LYS 116 18.377 -11.731 5.220 891 H ALA 117 H ALA 117 12.835 -7.068 6.608 892 HA ALA 117 HA ALA 117 10.260 -7.562 7.516 893 HB1 ALA 117 HB1 ALA 117 12.263 -9.585 8.388 894 HB2 ALA 117 HB2 ALA 117 11.030 -9.059 9.537 895 HB3 ALA 117 HB3 ALA 117 10.553 -9.781 8.000 896 H HIS 118 H HIS 118 9.800 -6.519 9.487 897 HA HIS 118 HA HIS 118 11.676 -5.592 11.334 898 HB2 HIS 118 HB2 HIS 118 11.877 -4.182 8.939 899 HB3 HIS 118 3HB HIS 118 10.920 -3.132 9.980 900 HD1 HIS 118 HD1 HIS 118 14.048 -2.909 8.998 901 HD2 HIS 118 HD2 HIS 118 12.575 -3.755 12.789 902 HE1 HIS 118 HE1 HIS 118 15.886 -2.274 10.590 903 H SER 119 H SER 119 10.697 -3.396 12.391 904 HA SER 119 HA SER 119 7.969 -4.145 13.083 905 HB2 SER 119 HB2 SER 119 8.278 -3.020 15.084 906 HB3 SER 119 3HB SER 119 9.932 -3.514 14.723 907 HG SER 119 HG SER 119 9.208 -1.123 15.223 908 H GLY 120 H GLY 120 6.877 -1.784 13.908 909 HA2 GLY 120 HA1 GLY 120 6.591 -0.327 11.354 910 HA3 GLY 120 HA2 GLY 120 5.298 -0.542 12.524 911 H ASN 121 H ASN 121 6.769 1.848 11.278 912 HA ASN 121 HA ASN 121 7.050 3.310 13.807 913 HB2 ASN 121 HB2 ASN 121 8.898 3.798 11.473 914 HB3 ASN 121 3HB ASN 121 9.042 4.407 13.119 915 HD21 ASN 121 HD21 ASN 121 10.846 2.793 11.383 916 HD22 ASN 121 HD22 ASN 121 11.254 1.409 12.335 917 H GLU 122 H GLU 122 8.006 5.583 11.967 918 HA GLU 122 HA GLU 122 5.306 6.432 11.174 919 HB2 GLU 122 HB2 GLU 122 6.441 7.822 12.874 920 HB3 GLU 122 HB3 GLU 122 7.748 8.122 11.737 921 HG2 GLU 122 HG2 GLU 122 6.329 9.362 10.298 922 HG3 GLU 122 HG3 GLU 122 4.890 8.865 11.185 923 H PHE 123 H PHE 123 8.044 5.194 9.851 924 HA PHE 123 HA PHE 123 8.672 6.758 7.661 925 HB2 PHE 123 HB2 PHE 123 9.259 4.546 6.544 926 HB3 PHE 123 3HB PHE 123 10.031 4.864 8.093 927 HD1 PHE 123 HD1 PHE 123 6.996 3.213 6.694 928 HD2 PHE 123 HD2 PHE 123 10.027 3.207 9.683 929 HE1 PHE 123 HE1 PHE 123 6.138 1.073 7.555 930 HE2 PHE 123 HE2 PHE 123 9.175 1.067 10.548 931 HZ PHE 123 HZ PHE 123 7.227 -0.002 9.485 932 H ASN 124 H ASN 124 5.850 4.837 8.250 933 HA ASN 124 HA ASN 124 4.981 4.709 5.524 934 HB2 ASN 124 HB2 ASN 124 2.995 3.702 6.363 935 HB3 ASN 124 3HB ASN 124 4.308 3.108 7.375 936 HD21 ASN 124 HD21 ASN 124 4.516 3.894 9.491 937 HD22 ASN 124 HD22 ASN 124 3.189 4.638 10.309 938 H ASP 125 H ASP 125 4.392 6.835 8.262 939 HA ASP 125 HA ASP 125 2.218 8.276 7.289 940 HB2 ASP 125 HB2 ASP 125 4.474 8.980 9.145 941 HB3 ASP 125 3HB ASP 125 3.266 10.183 8.701 942 H TYR 126 H TYR 126 5.526 8.304 6.312 943 HA TYR 126 HA TYR 126 5.850 10.824 5.235 944 HB2 TYR 126 HB2 TYR 126 7.767 9.520 5.157 945 HB3 TYR 126 3HB TYR 126 6.917 8.125 4.500 946 HD1 TYR 126 HD1 TYR 126 6.294 8.089 2.089 947 HD2 TYR 126 HD2 TYR 126 8.748 11.153 3.731 948 HE1 TYR 126 HE1 TYR 126 7.040 8.696 -0.174 949 HE2 TYR 126 HE2 TYR 126 9.500 11.769 1.472 950 HH TYR 126 HH TYR 126 9.139 9.849 -1.174 951 H VAL 127 H VAL 127 4.131 8.053 3.915 952 HA VAL 127 HA VAL 127 3.728 8.915 1.304 953 HB VAL 127 HB VAL 127 1.770 7.472 1.242 954 HG11 VAL 127 HG11 VAL 127 3.957 6.263 2.931 955 HG12 VAL 127 HG12 VAL 127 2.813 5.386 1.913 956 HG13 VAL 127 HG13 VAL 127 4.008 6.456 1.179 957 HG21 VAL 127 HG21 VAL 127 1.654 8.110 4.037 958 HG22 VAL 127 HG22 VAL 127 0.440 7.338 3.017 959 HG23 VAL 127 HG23 VAL 127 1.671 6.359 3.816 960 H ASP 128 H ASP 128 2.397 10.112 4.243 961 HA ASP 128 HA ASP 128 0.004 11.244 3.310 962 HB2 ASP 128 HB2 ASP 128 0.975 11.003 5.737 963 HB3 ASP 128 3HB ASP 128 1.637 12.604 5.420 964 H MET 129 H MET 129 3.219 12.733 3.711 965 HA MET 129 HA MET 129 2.469 15.197 2.515 966 HB2 MET 129 HB2 MET 129 4.477 14.631 4.076 967 HB3 MET 129 HB3 MET 129 5.299 14.202 2.583 968 HG2 MET 129 HG2 MET 129 4.365 16.605 1.882 969 HG3 MET 129 HG3 MET 129 4.504 16.845 3.623 970 HE1 MET 129 HE1 MET 129 7.081 14.513 3.758 971 HE2 MET 129 HE2 MET 129 8.331 15.721 4.050 972 HE3 MET 129 HE3 MET 129 6.775 15.846 4.871 973 H LYS 130 H LYS 130 4.162 12.324 1.311 974 HA LYS 130 HA LYS 130 4.775 13.284 -1.246 975 HB2 LYS 130 HB2 LYS 130 5.126 10.904 0.140 976 HB3 LYS 130 HB3 LYS 130 4.095 10.450 -1.211 977 HG2 LYS 130 HG2 LYS 130 6.721 11.904 -1.455 978 HG3 LYS 130 HG3 LYS 130 6.487 10.172 -1.697 979 HD2 LYS 130 HD2 LYS 130 5.985 10.576 -3.824 980 HD3 LYS 130 HD3 LYS 130 4.559 11.468 -3.287 981 HE2 LYS 130 HE2 LYS 130 7.139 12.907 -3.166 982 HE3 LYS 130 HE3 LYS 130 6.514 12.553 -4.776 983 HZ1 LYS 130 HZ1 LYS 130 5.618 14.479 -2.868 984 HZ2 LYS 130 HZ2 LYS 130 4.351 13.493 -3.402 985 HZ3 LYS 130 HZ3 LYS 130 5.276 14.363 -4.521 986 H ALA 131 H ALA 131 1.961 11.417 -0.126 987 HA ALA 131 HA ALA 131 0.635 11.213 -2.568 988 HB1 ALA 131 HB1 ALA 131 -1.454 11.082 -1.079 989 HB2 ALA 131 HB2 ALA 131 -0.194 9.868 -0.854 990 HB3 ALA 131 HB3 ALA 131 -0.327 11.220 0.271 991 H LYS 132 H LYS 132 0.763 13.842 -0.251 992 HA LYS 132 HA LYS 132 -1.377 15.394 -1.042 993 HB2 LYS 132 HB2 LYS 132 0.922 15.735 0.552 994 HB3 LYS 132 HB3 LYS 132 0.916 17.077 -0.586 995 HG2 LYS 132 HG2 LYS 132 -1.662 17.102 0.198 996 HG3 LYS 132 HG3 LYS 132 -0.887 16.488 1.660 997 HD2 LYS 132 HD2 LYS 132 0.740 18.428 1.430 998 HD3 LYS 132 HD3 LYS 132 -0.371 19.082 0.223 999 HE2 LYS 132 HE2 LYS 132 -2.170 18.765 2.048 1000 HE3 LYS 132 HE3 LYS 132 -0.805 18.650 3.158 1001 HZ1 LYS 132 HZ1 LYS 132 -1.992 20.955 2.130 1002 HZ2 LYS 132 HZ2 LYS 132 -0.430 20.874 1.488 1003 HZ3 LYS 132 HZ3 LYS 132 -0.658 20.844 3.164 1004 H SER 133 H SER 133 1.663 14.850 -2.660 1005 HA SER 133 HA SER 133 1.481 17.032 -4.478 1006 HB2 SER 133 HB2 SER 133 3.558 15.632 -3.855 1007 HB3 SER 133 3HB SER 133 2.965 14.472 -5.044 1008 HG SER 133 HG SER 133 2.844 16.603 -6.369 1009 H ALA 134 H ALA 134 0.658 13.587 -4.707 1010 HA ALA 134 HA ALA 134 -0.158 13.567 -7.383 1011 HB1 ALA 134 HB1 ALA 134 -1.076 11.866 -5.071 1012 HB2 ALA 134 HB2 ALA 134 -1.442 11.536 -6.764 1013 HB3 ALA 134 HB3 ALA 134 0.229 11.509 -6.203 1014 H LEU 135 H LEU 135 -1.873 14.458 -4.447 1015 HA LEU 135 HA LEU 135 -4.472 14.551 -5.516 1016 HB2 LEU 135 HB2 LEU 135 -3.383 14.900 -3.052 1017 HB3 LEU 135 3HB LEU 135 -3.820 16.555 -3.468 1018 HG LEU 135 HG LEU 135 -5.568 15.482 -2.156 1019 HD11 LEU 135 HD11 LEU 135 -6.223 17.162 -3.782 1020 HD12 LEU 135 HD12 LEU 135 -7.456 15.906 -3.661 1021 HD13 LEU 135 HD13 LEU 135 -6.350 15.927 -5.034 1022 HD21 LEU 135 HD21 LEU 135 -5.823 13.532 -4.443 1023 HD22 LEU 135 HD22 LEU 135 -6.803 13.582 -2.977 1024 HD23 LEU 135 HD23 LEU 135 -5.092 13.164 -2.880 1025 H GLY 136 H GLY 136 -1.881 16.947 -5.387 1026 HA2 GLY 136 HA1 GLY 136 -1.616 18.578 -7.113 1027 HA3 GLY 136 HA2 GLY 136 -3.349 18.515 -7.394 1028 H ILE 137 H ILE 137 -1.994 18.729 -4.183 1029 HA ILE 137 HA ILE 137 -3.552 20.956 -3.477 1030 HB ILE 137 HB ILE 137 -1.011 20.070 -2.111 1031 HG12 ILE 137 HG12 ILE 137 -2.454 18.139 -2.382 1032 HG13 ILE 137 HG13 ILE 137 -2.503 18.665 -0.703 1033 HG21 ILE 137 HG21 ILE 137 -1.606 22.066 -1.115 1034 HG22 ILE 137 HG22 ILE 137 -3.331 21.784 -1.336 1035 HG23 ILE 137 HG23 ILE 137 -2.442 20.891 -0.102 1036 HD11 ILE 137 HD11 ILE 137 -4.583 20.003 -2.053 1037 HD12 ILE 137 HD12 ILE 137 -4.649 18.306 -2.526 1038 HD13 ILE 137 HD13 ILE 137 -4.703 18.749 -0.820 1039 H ARG 138 H ARG 138 -3.015 23.117 -3.112 1040 HA ARG 138 HA ARG 138 -0.648 24.047 -4.596 1041 HB2 ARG 138 HB2 ARG 138 -1.969 26.243 -4.686 1042 HB3 ARG 138 HB3 ARG 138 -2.533 24.916 -5.692 1043 HG2 ARG 138 HG2 ARG 138 -3.719 25.076 -3.002 1044 HG3 ARG 138 HG3 ARG 138 -4.130 26.384 -4.112 1045 HD2 ARG 138 HD2 ARG 138 -4.665 24.549 -5.802 1046 HD3 ARG 138 HD3 ARG 138 -4.599 23.434 -4.439 1047 HE ARG 138 HE ARG 138 -6.309 25.490 -3.711 1048 HH11 ARG 138 HH11 ARG 138 -6.154 23.001 -6.142 1049 HH12 ARG 138 HH12 ARG 138 -7.874 22.846 -6.277 1050 HH21 ARG 138 HH21 ARG 138 -8.575 25.294 -3.881 1051 HH22 ARG 138 HH22 ARG 138 -9.250 24.151 -4.993 1052 H ASP 139 H ASP 139 0.427 25.973 -3.791 1053 HA ASP 139 HA ASP 139 -0.046 27.136 -1.297 1054 HB2 ASP 139 HB2 ASP 139 1.011 24.536 -1.054 1055 HB3 ASP 139 3HB ASP 139 2.344 25.634 -0.710 1056 H LEU 140 H LEU 140 2.149 28.113 -0.408 1057 HA LEU 140 HA LEU 140 4.107 28.644 -2.463 1058 HB2 LEU 140 HB2 LEU 140 3.736 30.942 -2.726 1059 HB3 LEU 140 3HB LEU 140 2.151 30.191 -2.895 1060 HG LEU 140 HG LEU 140 1.792 32.136 -1.632 1061 HD11 LEU 140 HD11 LEU 140 0.852 31.326 0.343 1062 HD12 LEU 140 HD12 LEU 140 2.092 30.089 0.539 1063 HD13 LEU 140 HD13 LEU 140 0.874 29.923 -0.724 1064 HD21 LEU 140 HD21 LEU 140 3.687 31.563 0.544 1065 HD22 LEU 140 HD22 LEU 140 3.248 33.096 -0.209 1066 HD23 LEU 140 HD23 LEU 140 4.417 32.032 -0.992 1067 H GLU 141 H GLU 141 5.831 30.136 -1.659 1068 HA GLU 141 HA GLU 141 6.030 30.815 1.076 1069 HB2 GLU 141 HB2 GLU 141 6.668 28.087 0.416 1070 HB3 GLU 141 HB3 GLU 141 8.115 28.918 0.966 1071 HG2 GLU 141 HG2 GLU 141 6.307 29.729 2.818 1072 HG3 GLU 141 HG3 GLU 141 5.725 28.107 2.449 1073 H HIS 142 H HIS 142 8.613 30.960 1.591 1074 HA HIS 142 HA HIS 142 10.007 31.939 -0.784 1075 HB2 HIS 142 HB2 HIS 142 10.669 34.009 0.555 1076 HB3 HIS 142 3HB HIS 142 9.019 33.962 -0.059 1077 HD1 HIS 142 HD1 HIS 142 10.952 33.500 3.154 1078 HD2 HIS 142 HD2 HIS 142 7.061 34.148 1.850 1079 HE1 HIS 142 HE1 HIS 142 9.613 33.955 5.234 1080 H HIS 143 H HIS 143 10.556 29.607 0.561 1081 HA HIS 143 HA HIS 143 13.214 30.195 1.617 1082 HB2 HIS 143 HB2 HIS 143 11.137 29.594 3.343 1083 HB3 HIS 143 3HB HIS 143 11.924 28.037 3.106 1084 HD1 HIS 143 HD1 HIS 143 13.590 27.618 4.868 1085 HD2 HIS 143 HD2 HIS 143 13.381 31.650 3.889 1086 HE1 HIS 143 HE1 HIS 143 15.280 28.757 6.342 1087 H HIS 144 H HIS 144 14.409 28.012 1.987 1088 HA HIS 144 HA HIS 144 13.663 25.692 0.622 1089 HB2 HIS 144 HB2 HIS 144 14.211 27.680 -1.194 1090 HB3 HIS 144 3HB HIS 144 15.759 26.848 -1.075 1091 HD1 HIS 144 HD1 HIS 144 12.647 26.721 -2.844 1092 HD2 HIS 144 HD2 HIS 144 15.390 23.905 -1.500 1093 HE1 HIS 144 HE1 HIS 144 12.180 24.638 -4.176 1094 H HIS 145 H HIS 145 15.320 24.089 0.601 1095 HA HIS 145 HA HIS 145 17.993 24.579 1.342 1096 HB2 HIS 145 HB2 HIS 145 16.898 25.186 3.498 1097 HB3 HIS 145 3HB HIS 145 16.255 23.548 3.593 1098 HD1 HIS 145 HD1 HIS 145 19.731 25.033 3.078 1099 HD2 HIS 145 HD2 HIS 145 17.790 22.047 5.217 1100 HE1 HIS 145 HE1 HIS 145 21.519 23.921 4.453 1101 H HIS 146 H HIS 146 19.234 22.643 1.548 1102 HA HIS 146 HA HIS 146 17.798 20.150 0.967 1103 HB2 HIS 146 HB2 HIS 146 19.024 21.521 -1.033 1104 HB3 HIS 146 3HB HIS 146 20.351 20.505 -0.477 1105 HD1 HIS 146 HD1 HIS 146 17.057 20.369 -2.213 1106 HD2 HIS 146 HD2 HIS 146 20.017 17.748 -0.935 1107 HE1 HIS 146 HE1 HIS 146 16.541 18.176 -3.330 1108 H HIS 147 H HIS 147 19.207 18.215 1.233 1109 HA HIS 147 HA HIS 147 21.295 18.679 3.258 1110 HB2 HIS 147 HB2 HIS 147 18.973 17.666 3.980 1111 HB3 HIS 147 3HB HIS 147 19.643 16.184 3.305 1112 HD1 HIS 147 HD1 HIS 147 20.879 14.803 4.932 1113 HD2 HIS 147 HD2 HIS 147 20.879 18.816 6.006 1114 HE1 HIS 147 HE1 HIS 147 22.071 14.907 7.144 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -2.558 -1.063 -19.509 2 HA MET 1 HA MET 1 -3.565 1.266 -20.772 3 HB2 MET 1 HB2 MET 1 -5.421 -0.317 -19.037 4 HB3 MET 1 HB3 MET 1 -5.523 1.439 -19.034 5 HG2 MET 1 HG2 MET 1 -6.554 1.489 -21.001 6 HG3 MET 1 HG3 MET 1 -5.433 0.331 -21.715 7 HE1 MET 1 HE1 MET 1 -5.912 -2.376 -21.767 8 HE2 MET 1 HE2 MET 1 -7.577 -2.560 -22.322 9 HE3 MET 1 HE3 MET 1 -6.563 -1.276 -22.983 10 H ASP 2 H ASP 2 -3.942 3.049 -19.071 11 HA ASP 2 HA ASP 2 -2.821 2.759 -16.486 12 HB2 ASP 2 HB2 ASP 2 -0.865 2.796 -18.373 13 HB3 ASP 2 3HB ASP 2 -1.023 4.516 -18.033 14 H ASP 3 H ASP 3 -1.972 5.236 -15.879 15 HA ASP 3 HA ASP 3 -3.725 7.236 -17.010 16 HB2 ASP 3 HB2 ASP 3 -4.097 6.249 -14.178 17 HB3 ASP 3 3HB ASP 3 -4.757 7.768 -14.780 18 H ARG 4 H ARG 4 -3.518 9.330 -15.599 19 HA ARG 4 HA ARG 4 -0.656 9.747 -15.230 20 HB2 ARG 4 HB2 ARG 4 -1.142 12.104 -15.344 21 HB3 ARG 4 HB3 ARG 4 -1.989 11.293 -16.655 22 HG2 ARG 4 HG2 ARG 4 -3.950 11.251 -14.883 23 HG3 ARG 4 HG3 ARG 4 -3.066 12.638 -14.242 24 HD2 ARG 4 HD2 ARG 4 -3.065 13.336 -16.800 25 HD3 ARG 4 HD3 ARG 4 -4.503 12.319 -16.822 26 HE ARG 4 HE ARG 4 -4.927 13.937 -14.699 27 HH11 ARG 4 HH11 ARG 4 -4.079 14.527 -18.023 28 HH12 ARG 4 HH12 ARG 4 -4.876 16.065 -18.089 29 HH21 ARG 4 HH21 ARG 4 -5.979 15.959 -14.773 30 HH22 ARG 4 HH22 ARG 4 -5.955 16.878 -16.241 31 H THR 5 H THR 5 0.224 9.653 -13.282 32 HA THR 5 HA THR 5 -1.303 10.610 -10.969 33 HB THR 5 HB THR 5 -0.376 8.693 -9.617 34 HG1 THR 5 HG1 THR 5 0.394 6.909 -10.734 35 HG21 THR 5 HG21 THR 5 -2.724 8.781 -10.386 36 HG22 THR 5 HG22 THR 5 -2.110 7.130 -10.284 37 HG23 THR 5 HG23 THR 5 -2.256 7.923 -11.853 38 H GLU 6 H GLU 6 1.806 8.920 -11.213 39 HA GLU 6 HA GLU 6 3.924 9.529 -10.645 40 HB2 GLU 6 HB2 GLU 6 3.073 12.382 -11.124 41 HB3 GLU 6 HB3 GLU 6 4.691 11.705 -11.248 42 HG2 GLU 6 HG2 GLU 6 2.373 11.071 -13.060 43 HG3 GLU 6 HG3 GLU 6 3.726 12.136 -13.440 44 H TYR 7 H TYR 7 2.783 8.905 -8.476 45 HA TYR 7 HA TYR 7 3.876 10.542 -6.462 46 HB2 TYR 7 HB2 TYR 7 1.997 11.533 -5.447 47 HB3 TYR 7 3HB TYR 7 1.788 11.856 -7.165 48 HD1 TYR 7 HD1 TYR 7 0.183 10.418 -8.481 49 HD2 TYR 7 HD2 TYR 7 0.375 10.330 -4.231 50 HE1 TYR 7 HE1 TYR 7 -2.046 9.382 -8.408 51 HE2 TYR 7 HE2 TYR 7 -1.854 9.293 -4.147 52 HH TYR 7 HH TYR 7 -3.534 8.305 -7.082 53 H ASP 8 H ASP 8 4.160 9.381 -4.640 54 HA ASP 8 HA ASP 8 3.824 6.655 -4.563 55 HB2 ASP 8 HB2 ASP 8 5.281 7.990 -3.036 56 HB3 ASP 8 3HB ASP 8 3.841 8.468 -2.142 57 H VAL 9 H VAL 9 2.464 5.316 -3.157 58 HA VAL 9 HA VAL 9 -0.318 6.142 -3.371 59 HB VAL 9 HB VAL 9 0.934 3.492 -2.643 60 HG11 VAL 9 HG11 VAL 9 -1.151 3.712 -1.441 61 HG12 VAL 9 HG12 VAL 9 -1.979 4.229 -2.911 62 HG13 VAL 9 HG13 VAL 9 -1.358 2.584 -2.780 63 HG21 VAL 9 HG21 VAL 9 -0.789 4.002 -5.028 64 HG22 VAL 9 HG22 VAL 9 0.908 4.480 -5.062 65 HG23 VAL 9 HG23 VAL 9 0.472 2.793 -4.791 66 H TYR 10 H TYR 10 -1.733 6.342 -1.670 67 HA TYR 10 HA TYR 10 -0.628 7.113 0.837 68 HB2 TYR 10 HB2 TYR 10 -2.610 8.223 0.029 69 HB3 TYR 10 3HB TYR 10 -3.486 6.699 -0.054 70 HD1 TYR 10 HD1 TYR 10 -1.330 8.042 2.672 71 HD2 TYR 10 HD2 TYR 10 -5.252 6.936 1.446 72 HE1 TYR 10 HE1 TYR 10 -2.139 8.389 4.969 73 HE2 TYR 10 HE2 TYR 10 -6.072 7.281 3.740 74 HH TYR 10 HH TYR 10 -4.987 8.928 5.855 75 H THR 11 H THR 11 0.490 5.121 1.376 76 HA THR 11 HA THR 11 -1.304 3.212 2.717 77 HB THR 11 HB THR 11 0.295 1.389 2.172 78 HG1 THR 11 HG1 THR 11 1.810 1.826 0.472 79 HG21 THR 11 HG21 THR 11 -1.041 0.905 0.454 80 HG22 THR 11 HG22 THR 11 -0.293 2.157 -0.539 81 HG23 THR 11 HG23 THR 11 -1.647 2.559 0.517 82 H ASP 12 H ASP 12 -0.385 2.129 4.554 83 HA ASP 12 HA ASP 12 0.783 2.033 6.505 84 HB2 ASP 12 HB2 ASP 12 3.058 3.520 5.223 85 HB3 ASP 12 3HB ASP 12 3.113 2.249 6.443 86 H GLY 13 H GLY 13 -1.017 3.848 6.727 87 HA2 GLY 13 HA1 GLY 13 -0.074 5.715 8.569 88 HA3 GLY 13 HA2 GLY 13 -0.180 6.537 7.020 89 H SER 14 H SER 14 -2.133 4.396 9.096 90 HA SER 14 HA SER 14 -4.266 6.177 9.384 91 HB2 SER 14 HB2 SER 14 -5.670 5.825 7.649 92 HB3 SER 14 3HB SER 14 -4.244 5.212 6.812 93 HG SER 14 HG SER 14 -5.653 3.579 6.645 94 H TYR 15 H TYR 15 -5.319 5.525 11.138 95 HA TYR 15 HA TYR 15 -5.995 2.759 11.572 96 HB2 TYR 15 HB2 TYR 15 -4.856 2.752 13.853 97 HB3 TYR 15 3HB TYR 15 -3.805 2.575 12.453 98 HD1 TYR 15 HD1 TYR 15 -4.848 4.812 15.168 99 HD2 TYR 15 HD2 TYR 15 -2.236 4.312 11.846 100 HE1 TYR 15 HE1 TYR 15 -3.508 6.725 15.940 101 HE2 TYR 15 HE2 TYR 15 -0.889 6.222 12.610 102 HH TYR 15 HH TYR 15 -1.948 8.390 14.970 103 H VAL 16 H VAL 16 -7.306 2.463 13.534 104 HA VAL 16 HA VAL 16 -8.425 4.925 14.652 105 HB VAL 16 HB VAL 16 -9.871 4.398 12.751 106 HG11 VAL 16 HG11 VAL 16 -10.485 1.785 14.117 107 HG12 VAL 16 HG12 VAL 16 -11.064 2.347 12.548 108 HG13 VAL 16 HG13 VAL 16 -9.362 1.942 12.767 109 HG21 VAL 16 HG21 VAL 16 -11.141 3.801 15.422 110 HG22 VAL 16 HG22 VAL 16 -10.879 5.399 14.723 111 HG23 VAL 16 HG23 VAL 16 -12.007 4.278 13.962 112 H ASN 17 H ASN 17 -8.626 4.757 16.782 113 HA ASN 17 HA ASN 17 -8.501 3.847 18.877 114 HB2 ASN 17 HB2 ASN 17 -10.900 3.270 17.795 115 HB3 ASN 17 3HB ASN 17 -10.327 1.637 18.117 116 HD21 ASN 17 HD21 ASN 17 -11.719 4.424 19.412 117 HD22 ASN 17 HD22 ASN 17 -11.693 3.962 21.077 118 H GLY 18 H GLY 18 -8.955 1.105 19.648 119 HA2 GLY 18 HA1 GLY 18 -6.288 0.114 19.247 120 HA3 GLY 18 HA2 GLY 18 -7.556 -0.652 20.194 121 H GLN 19 H GLN 19 -7.151 0.185 16.750 122 HA GLN 19 HA GLN 19 -7.398 -2.643 16.067 123 HB2 GLN 19 HB2 GLN 19 -9.449 -0.607 15.594 124 HB3 GLN 19 HB3 GLN 19 -8.983 -1.482 14.141 125 HG2 GLN 19 HG2 GLN 19 -9.277 -3.545 15.823 126 HG3 GLN 19 HG3 GLN 19 -10.425 -2.412 16.537 127 HE21 GLN 19 HE21 GLN 19 -12.074 -1.528 15.125 128 HE22 GLN 19 HE22 GLN 19 -12.670 -2.488 13.818 129 H TYR 20 H TYR 20 -7.355 -2.714 13.468 130 HA TYR 20 HA TYR 20 -5.254 -0.861 12.569 131 HB2 TYR 20 HB2 TYR 20 -3.971 -2.616 11.629 132 HB3 TYR 20 3HB TYR 20 -4.391 -3.160 13.249 133 HD1 TYR 20 HD1 TYR 20 -6.572 -4.624 13.400 134 HD2 TYR 20 HD2 TYR 20 -4.305 -4.051 9.845 135 HE1 TYR 20 HE1 TYR 20 -7.532 -6.685 12.463 136 HE2 TYR 20 HE2 TYR 20 -5.260 -6.110 8.897 137 HH TYR 20 HH TYR 20 -7.223 -7.528 9.176 138 H ALA 21 H ALA 21 -5.502 -0.053 10.566 139 HA ALA 21 HA ALA 21 -7.490 -1.290 8.788 140 HB1 ALA 21 HB1 ALA 21 -8.568 0.748 8.327 141 HB2 ALA 21 HB2 ALA 21 -8.408 0.694 10.083 142 HB3 ALA 21 HB3 ALA 21 -7.309 1.689 9.127 143 H TRP 22 H TRP 22 -7.277 -0.633 6.531 144 HA TRP 22 HA TRP 22 -4.606 0.383 5.843 145 HB2 TRP 22 HB2 TRP 22 -4.724 -1.343 3.906 146 HB3 TRP 22 3HB TRP 22 -4.258 -1.900 5.511 147 HD1 TRP 22 HD1 TRP 22 -6.034 -3.411 6.851 148 HE1 TRP 22 HE1 TRP 22 -8.026 -4.824 6.038 149 HE3 TRP 22 HE3 TRP 22 -6.575 -1.433 2.168 150 HZ2 TRP 22 HZ2 TRP 22 -9.615 -5.067 3.718 151 HZ3 TRP 22 HZ3 TRP 22 -8.355 -2.312 0.714 152 HH2 TRP 22 HH2 TRP 22 -9.842 -4.092 1.475 153 H ALA 23 H ALA 23 -4.606 1.897 4.300 154 HA ALA 23 HA ALA 23 -6.994 2.159 2.596 155 HB1 ALA 23 HB1 ALA 23 -5.568 4.639 3.341 156 HB2 ALA 23 HB2 ALA 23 -7.289 4.350 3.083 157 HB3 ALA 23 HB3 ALA 23 -6.532 3.867 4.601 158 H TYR 24 H TYR 24 -6.553 3.610 0.671 159 HA TYR 24 HA TYR 24 -3.834 3.843 -0.222 160 HB2 TYR 24 HB2 TYR 24 -4.423 2.396 -2.320 161 HB3 TYR 24 3HB TYR 24 -3.868 1.610 -0.846 162 HD1 TYR 24 HD1 TYR 24 -7.207 2.914 -1.908 163 HD2 TYR 24 HD2 TYR 24 -4.915 -0.437 -0.638 164 HE1 TYR 24 HE1 TYR 24 -9.245 1.537 -1.884 165 HE2 TYR 24 HE2 TYR 24 -6.945 -1.824 -0.610 166 HH TYR 24 HH TYR 24 -9.133 -1.903 -1.474 167 H ALA 25 H ALA 25 -3.892 4.422 -2.704 168 HA ALA 25 HA ALA 25 -6.157 6.268 -3.104 169 HB1 ALA 25 HB1 ALA 25 -4.395 7.714 -2.814 170 HB2 ALA 25 HB2 ALA 25 -3.228 6.613 -3.547 171 HB3 ALA 25 HB3 ALA 25 -4.367 7.496 -4.564 172 H PHE 26 H PHE 26 -7.364 5.933 -4.848 173 HA PHE 26 HA PHE 26 -6.265 4.252 -7.004 174 HB2 PHE 26 HB2 PHE 26 -8.977 4.413 -5.761 175 HB3 PHE 26 3HB PHE 26 -8.853 3.966 -7.459 176 HD1 PHE 26 HD1 PHE 26 -6.742 3.120 -4.505 177 HD2 PHE 26 HD2 PHE 26 -9.253 1.709 -7.640 178 HE1 PHE 26 HE1 PHE 26 -6.247 0.800 -3.853 179 HE2 PHE 26 HE2 PHE 26 -8.762 -0.613 -6.992 180 HZ PHE 26 HZ PHE 26 -7.257 -1.071 -5.097 181 H VAL 27 H VAL 27 -6.447 4.907 -9.104 182 HA VAL 27 HA VAL 27 -7.921 7.360 -9.701 183 HB VAL 27 HB VAL 27 -4.958 7.015 -10.021 184 HG11 VAL 27 HG11 VAL 27 -5.283 7.655 -12.179 185 HG12 VAL 27 HG12 VAL 27 -6.829 8.433 -11.833 186 HG13 VAL 27 HG13 VAL 27 -5.319 9.246 -11.419 187 HG21 VAL 27 HG21 VAL 27 -5.014 9.389 -9.214 188 HG22 VAL 27 HG22 VAL 27 -6.751 9.201 -8.978 189 HG23 VAL 27 HG23 VAL 27 -5.624 8.201 -8.062 190 H LYS 28 H LYS 28 -8.884 7.311 -11.645 191 HA LYS 28 HA LYS 28 -7.910 5.443 -13.679 192 HB2 LYS 28 HB2 LYS 28 -10.644 5.470 -12.441 193 HB3 LYS 28 HB3 LYS 28 -10.424 4.921 -14.098 194 HG2 LYS 28 HG2 LYS 28 -8.585 3.726 -12.147 195 HG3 LYS 28 HG3 LYS 28 -10.289 3.327 -11.917 196 HD2 LYS 28 HD2 LYS 28 -9.558 3.173 -14.705 197 HD3 LYS 28 HD3 LYS 28 -8.506 2.154 -13.718 198 HE2 LYS 28 HE2 LYS 28 -10.139 0.681 -13.329 199 HE3 LYS 28 HE3 LYS 28 -11.302 1.950 -12.950 200 HZ1 LYS 28 HZ1 LYS 28 -11.869 2.188 -15.196 201 HZ2 LYS 28 HZ2 LYS 28 -11.802 0.517 -14.949 202 HZ3 LYS 28 HZ3 LYS 28 -10.528 1.307 -15.733 203 H ASP 29 H ASP 29 -8.232 6.097 -15.773 204 HA ASP 29 HA ASP 29 -8.672 7.483 -17.523 205 HB2 ASP 29 HB2 ASP 29 -10.777 8.825 -15.832 206 HB3 ASP 29 3HB ASP 29 -10.718 8.682 -17.587 207 H GLY 30 H GLY 30 -7.095 8.287 -14.948 208 HA2 GLY 30 HA1 GLY 30 -5.493 9.995 -14.788 209 HA3 GLY 30 HA2 GLY 30 -6.402 10.928 -15.967 210 H LYS 31 H LYS 31 -8.466 9.713 -13.633 211 HA LYS 31 HA LYS 31 -8.174 12.075 -11.912 212 HB2 LYS 31 HB2 LYS 31 -10.437 12.668 -12.063 213 HB3 LYS 31 HB3 LYS 31 -9.978 12.319 -13.725 214 HG2 LYS 31 HG2 LYS 31 -10.871 9.939 -13.200 215 HG3 LYS 31 HG3 LYS 31 -11.709 10.746 -11.871 216 HD2 LYS 31 HD2 LYS 31 -11.906 11.490 -14.790 217 HD3 LYS 31 HD3 LYS 31 -13.118 10.594 -13.871 218 HE2 LYS 31 HE2 LYS 31 -12.855 12.747 -12.291 219 HE3 LYS 31 HE3 LYS 31 -12.450 13.475 -13.845 220 HZ1 LYS 31 HZ1 LYS 31 -14.796 13.668 -13.444 221 HZ2 LYS 31 HZ2 LYS 31 -14.942 12.002 -13.186 222 HZ3 LYS 31 HZ3 LYS 31 -14.550 12.588 -14.723 223 H VAL 32 H VAL 32 -9.617 11.857 -9.921 224 HA VAL 32 HA VAL 32 -8.923 9.493 -8.551 225 HB VAL 32 HB VAL 32 -11.048 11.481 -7.744 226 HG11 VAL 32 HG11 VAL 32 -9.510 9.355 -6.303 227 HG12 VAL 32 HG12 VAL 32 -10.145 10.754 -5.436 228 HG13 VAL 32 HG13 VAL 32 -11.244 9.675 -6.296 229 HG21 VAL 32 HG21 VAL 32 -8.057 11.556 -7.446 230 HG22 VAL 32 HG22 VAL 32 -9.118 12.776 -8.152 231 HG23 VAL 32 HG23 VAL 32 -9.137 12.491 -6.411 232 H HIS 33 H HIS 33 -9.881 7.573 -8.471 233 HA HIS 33 HA HIS 33 -12.618 7.332 -9.522 234 HB2 HIS 33 HB2 HIS 33 -10.571 6.066 -10.542 235 HB3 HIS 33 3HB HIS 33 -10.773 4.994 -9.159 236 HD1 HIS 33 HD1 HIS 33 -13.471 6.538 -11.342 237 HD2 HIS 33 HD2 HIS 33 -11.959 2.820 -10.270 238 HE1 HIS 33 HE1 HIS 33 -15.012 4.855 -12.401 239 H TYR 34 H TYR 34 -10.498 5.772 -7.111 240 HA TYR 34 HA TYR 34 -12.822 5.605 -5.314 241 HB2 TYR 34 HB2 TYR 34 -10.738 3.448 -5.704 242 HB3 TYR 34 3HB TYR 34 -12.076 3.396 -4.564 243 HD1 TYR 34 HD1 TYR 34 -14.272 4.456 -6.268 244 HD2 TYR 34 HD2 TYR 34 -11.187 1.661 -7.145 245 HE1 TYR 34 HE1 TYR 34 -15.699 3.428 -7.986 246 HE2 TYR 34 HE2 TYR 34 -12.605 0.626 -8.867 247 HH TYR 34 HH TYR 34 -15.495 0.635 -9.119 248 H GLU 35 H GLU 35 -12.251 5.403 -3.030 249 HA GLU 35 HA GLU 35 -9.625 5.784 -2.075 250 HB2 GLU 35 HB2 GLU 35 -9.996 8.158 -1.231 251 HB3 GLU 35 HB3 GLU 35 -9.643 7.977 -2.944 252 HG2 GLU 35 HG2 GLU 35 -11.664 8.727 -3.580 253 HG3 GLU 35 HG3 GLU 35 -12.495 7.958 -2.229 254 H ASP 36 H ASP 36 -10.379 4.165 -0.674 255 HA ASP 36 HA ASP 36 -11.610 5.172 1.721 256 HB2 ASP 36 HB2 ASP 36 -13.630 4.686 0.477 257 HB3 ASP 36 3HB ASP 36 -13.036 3.079 0.068 258 H ALA 37 H ALA 37 -11.015 4.016 3.496 259 HA ALA 37 HA ALA 37 -9.127 1.840 3.045 260 HB1 ALA 37 HB1 ALA 37 -9.732 2.977 5.741 261 HB2 ALA 37 HB2 ALA 37 -8.223 2.308 5.118 262 HB3 ALA 37 HB3 ALA 37 -8.768 3.899 4.588 263 H ASP 38 H ASP 38 -9.192 0.216 5.058 264 HA ASP 38 HA ASP 38 -11.914 -0.587 5.698 265 HB2 ASP 38 HB2 ASP 38 -10.159 -2.017 3.785 266 HB3 ASP 38 3HB ASP 38 -10.999 -3.017 4.967 267 H VAL 39 H VAL 39 -12.063 -1.991 7.472 268 HA VAL 39 HA VAL 39 -9.579 -2.198 9.038 269 HB VAL 39 HB VAL 39 -12.397 -2.319 10.109 270 HG11 VAL 39 HG11 VAL 39 -11.183 -1.704 12.239 271 HG12 VAL 39 HG12 VAL 39 -10.887 -3.332 11.626 272 HG13 VAL 39 HG13 VAL 39 -9.683 -2.064 11.385 273 HG21 VAL 39 HG21 VAL 39 -12.038 -0.148 9.073 274 HG22 VAL 39 HG22 VAL 39 -12.069 0.006 10.830 275 HG23 VAL 39 HG23 VAL 39 -10.531 0.049 9.967 276 H GLY 40 H GLY 40 -9.256 -4.095 10.346 277 HA2 GLY 40 HA1 GLY 40 -10.557 -6.479 9.183 278 HA3 GLY 40 HA2 GLY 40 -8.892 -6.442 9.743 279 H LYS 41 H LYS 41 -9.325 -8.248 11.087 280 HA LYS 41 HA LYS 41 -9.981 -7.582 13.743 281 HB2 LYS 41 HB2 LYS 41 -12.014 -8.961 14.017 282 HB3 LYS 41 HB3 LYS 41 -12.280 -7.574 12.969 283 HG2 LYS 41 HG2 LYS 41 -11.492 -10.057 11.604 284 HG3 LYS 41 HG3 LYS 41 -13.070 -10.082 12.393 285 HD2 LYS 41 HD2 LYS 41 -12.805 -7.606 11.021 286 HD3 LYS 41 HD3 LYS 41 -12.348 -8.901 9.912 287 HE2 LYS 41 HE2 LYS 41 -14.659 -8.665 9.621 288 HE3 LYS 41 HE3 LYS 41 -14.488 -10.068 10.675 289 HZ1 LYS 41 HZ1 LYS 41 -16.034 -8.960 11.857 290 HZ2 LYS 41 HZ2 LYS 41 -15.601 -7.443 11.246 291 HZ3 LYS 41 HZ3 LYS 41 -14.690 -8.148 12.484 292 H ASN 42 H ASN 42 -7.765 -8.702 12.942 293 HA ASN 42 HA ASN 42 -8.031 -11.550 13.647 294 HB2 ASN 42 HB2 ASN 42 -5.709 -10.549 12.040 295 HB3 ASN 42 3HB ASN 42 -6.404 -12.166 12.106 296 HD21 ASN 42 HD21 ASN 42 -5.787 -10.306 9.861 297 HD22 ASN 42 HD22 ASN 42 -7.259 -10.193 8.962 298 HA PRO 43 HA PRO 43 -5.317 -10.862 17.028 299 HB2 PRO 43 HB2 PRO 43 -3.990 -13.228 17.136 300 HB3 PRO 43 HB3 PRO 43 -5.683 -13.053 17.616 301 HG2 PRO 43 HG2 PRO 43 -4.539 -14.071 15.044 302 HG3 PRO 43 HG3 PRO 43 -5.890 -14.710 15.998 303 HD2 PRO 43 HD2 PRO 43 -6.259 -13.189 13.789 304 HD3 PRO 43 HD3 PRO 43 -7.377 -13.157 15.168 305 H ALA 44 H ALA 44 -3.659 -12.498 14.323 306 HA ALA 44 HA ALA 44 -1.073 -11.586 15.008 307 HB1 ALA 44 HB1 ALA 44 -1.940 -12.329 12.227 308 HB2 ALA 44 HB2 ALA 44 -0.350 -12.513 12.971 309 HB3 ALA 44 HB3 ALA 44 -1.692 -13.532 13.493 310 H ALA 45 H ALA 45 -3.681 -10.177 13.177 311 HA ALA 45 HA ALA 45 -1.964 -8.027 12.192 312 HB1 ALA 45 HB1 ALA 45 -4.915 -8.315 11.698 313 HB2 ALA 45 HB2 ALA 45 -3.727 -7.415 10.755 314 HB3 ALA 45 HB3 ALA 45 -3.706 -9.178 10.748 315 H ALA 46 H ALA 46 -3.059 -8.556 15.061 316 HA ALA 46 HA ALA 46 -3.740 -5.747 15.553 317 HB1 ALA 46 HB1 ALA 46 -5.826 -7.157 15.464 318 HB2 ALA 46 HB2 ALA 46 -5.232 -7.982 16.906 319 HB3 ALA 46 HB3 ALA 46 -5.578 -6.253 16.958 320 H THR 47 H THR 47 -1.520 -7.907 16.019 321 HA THR 47 HA THR 47 -1.096 -7.253 18.862 322 HB THR 47 HB THR 47 -1.458 -9.700 18.367 323 HG1 THR 47 HG1 THR 47 -0.197 -8.850 20.185 324 HG21 THR 47 HG21 THR 47 1.264 -10.150 17.481 325 HG22 THR 47 HG22 THR 47 0.341 -9.218 16.302 326 HG23 THR 47 HG23 THR 47 -0.248 -10.790 16.839 327 H MET 48 H MET 48 -0.232 -6.117 16.074 328 HA MET 48 HA MET 48 2.607 -5.821 16.805 329 HB2 MET 48 HB2 MET 48 3.263 -5.853 14.540 330 HB3 MET 48 HB3 MET 48 2.136 -7.192 14.708 331 HG2 MET 48 HG2 MET 48 1.258 -4.494 13.745 332 HG3 MET 48 HG3 MET 48 1.917 -5.711 12.654 333 HE1 MET 48 HE1 MET 48 -1.972 -4.719 13.262 334 HE2 MET 48 HE2 MET 48 -1.840 -5.328 14.911 335 HE3 MET 48 HE3 MET 48 -0.675 -4.147 14.311 336 H ARG 49 H ARG 49 0.112 -4.216 17.360 337 HA ARG 49 HA ARG 49 -0.333 -2.000 17.673 338 HB2 ARG 49 HB2 ARG 49 2.169 -1.303 16.153 339 HB3 ARG 49 HB3 ARG 49 1.359 -0.377 17.409 340 HG2 ARG 49 HG2 ARG 49 1.954 -2.323 18.963 341 HG3 ARG 49 HG3 ARG 49 3.068 -2.820 17.687 342 HD2 ARG 49 HD2 ARG 49 4.519 -1.177 18.159 343 HD3 ARG 49 HD3 ARG 49 3.239 0.019 18.355 344 HE ARG 49 HE ARG 49 3.270 -0.360 20.618 345 HH11 ARG 49 HH11 ARG 49 5.033 -2.886 18.996 346 HH12 ARG 49 HH12 ARG 49 5.662 -3.566 20.460 347 HH21 ARG 49 HH21 ARG 49 4.093 -1.245 22.552 348 HH22 ARG 49 HH22 ARG 49 5.125 -2.632 22.482 349 H ASN 50 H ASN 50 1.414 -1.858 14.576 350 HA ASN 50 HA ASN 50 -0.900 -1.837 12.954 351 HB2 ASN 50 HB2 ASN 50 -0.705 0.596 12.248 352 HB3 ASN 50 3HB ASN 50 -1.416 0.310 13.833 353 HD21 ASN 50 HD21 ASN 50 -0.849 2.545 14.215 354 HD22 ASN 50 HD22 ASN 50 0.754 2.936 14.729 355 H VAL 51 H VAL 51 1.955 -2.758 13.203 356 HA VAL 51 HA VAL 51 3.373 -1.574 11.009 357 HB VAL 51 HB VAL 51 3.919 -4.213 12.374 358 HG11 VAL 51 HG11 VAL 51 5.150 -2.842 10.174 359 HG12 VAL 51 HG12 VAL 51 6.284 -2.971 11.519 360 HG13 VAL 51 HG13 VAL 51 5.529 -4.423 10.858 361 HG21 VAL 51 HG21 VAL 51 5.426 -3.028 13.830 362 HG22 VAL 51 HG22 VAL 51 5.086 -1.505 13.009 363 HG23 VAL 51 HG23 VAL 51 3.825 -2.299 13.952 364 H ALA 52 H ALA 52 1.276 -4.344 11.452 365 HA ALA 52 HA ALA 52 1.854 -5.509 8.892 366 HB1 ALA 52 HB1 ALA 52 0.314 -7.168 9.441 367 HB2 ALA 52 HB2 ALA 52 0.985 -6.692 11.003 368 HB3 ALA 52 HB3 ALA 52 -0.600 -6.101 10.508 369 H GLY 53 H GLY 53 -1.028 -3.888 10.250 370 HA2 GLY 53 HA1 GLY 53 -2.542 -3.788 7.925 371 HA3 GLY 53 HA2 GLY 53 -2.662 -2.631 9.242 372 H GLU 54 H GLU 54 0.073 -1.685 8.965 373 HA GLU 54 HA GLU 54 -0.342 0.443 7.206 374 HB2 GLU 54 HB2 GLU 54 1.998 -0.649 8.684 375 HB3 GLU 54 HB3 GLU 54 2.322 0.489 7.384 376 HG2 GLU 54 HG2 GLU 54 1.196 2.222 8.448 377 HG3 GLU 54 HG3 GLU 54 0.323 1.123 9.516 378 H ILE 55 H ILE 55 1.785 -2.389 6.799 379 HA ILE 55 HA ILE 55 2.381 -1.756 4.074 380 HB ILE 55 HB ILE 55 2.953 -4.089 5.858 381 HG12 ILE 55 HG12 ILE 55 5.119 -3.024 4.254 382 HG13 ILE 55 HG13 ILE 55 4.292 -1.740 5.129 383 HG21 ILE 55 HG21 ILE 55 4.234 -4.984 3.777 384 HG22 ILE 55 HG22 ILE 55 2.518 -5.341 3.971 385 HG23 ILE 55 HG23 ILE 55 3.034 -4.061 2.873 386 HD11 ILE 55 HD11 ILE 55 5.526 -2.272 6.885 387 HD12 ILE 55 HD12 ILE 55 4.624 -3.785 6.987 388 HD13 ILE 55 HD13 ILE 55 6.138 -3.721 6.087 389 H ALA 56 H ALA 56 0.016 -3.744 5.709 390 HA ALA 56 HA ALA 56 -0.836 -5.475 3.776 391 HB1 ALA 56 HB1 ALA 56 -2.615 -5.822 5.101 392 HB2 ALA 56 HB2 ALA 56 -1.775 -4.736 6.208 393 HB3 ALA 56 HB3 ALA 56 -3.041 -4.111 5.152 394 H ALA 57 H ALA 57 -1.512 -2.022 4.005 395 HA ALA 57 HA ALA 57 -3.503 -1.729 2.123 396 HB1 ALA 57 HB1 ALA 57 -2.814 0.147 3.418 397 HB2 ALA 57 HB2 ALA 57 -1.182 0.084 2.750 398 HB3 ALA 57 HB3 ALA 57 -2.539 0.547 1.721 399 H ALA 58 H ALA 58 0.008 -1.811 1.566 400 HA ALA 58 HA ALA 58 0.057 -1.345 -1.157 401 HB1 ALA 58 HB1 ALA 58 1.823 -2.952 0.648 402 HB2 ALA 58 HB2 ALA 58 2.131 -2.881 -1.087 403 HB3 ALA 58 HB3 ALA 58 2.137 -1.400 -0.129 404 H LEU 59 H LEU 59 -0.634 -4.338 0.569 405 HA LEU 59 HA LEU 59 -0.589 -6.078 -1.640 406 HB2 LEU 59 HB2 LEU 59 -2.418 -6.416 0.713 407 HB3 LEU 59 3HB LEU 59 -1.634 -7.661 -0.257 408 HG LEU 59 HG LEU 59 -0.465 -5.949 1.912 409 HD11 LEU 59 HD11 LEU 59 -0.884 -8.858 1.403 410 HD12 LEU 59 HD12 LEU 59 -1.221 -7.907 2.848 411 HD13 LEU 59 HD13 LEU 59 0.441 -8.336 2.444 412 HD21 LEU 59 HD21 LEU 59 0.860 -6.955 -0.499 413 HD22 LEU 59 HD22 LEU 59 1.637 -7.435 1.011 414 HD23 LEU 59 HD23 LEU 59 1.378 -5.726 0.655 415 H TYR 60 H TYR 60 -3.495 -4.911 0.070 416 HA TYR 60 HA TYR 60 -5.347 -5.659 -1.845 417 HB2 TYR 60 HB2 TYR 60 -5.581 -3.192 -0.116 418 HB3 TYR 60 3HB TYR 60 -6.892 -4.169 -0.770 419 HD1 TYR 60 HD1 TYR 60 -7.313 -6.440 0.149 420 HD2 TYR 60 HD2 TYR 60 -4.478 -3.799 1.906 421 HE1 TYR 60 HE1 TYR 60 -7.332 -7.796 2.202 422 HE2 TYR 60 HE2 TYR 60 -4.489 -5.147 3.964 423 HH TYR 60 HH TYR 60 -5.679 -8.213 4.146 424 H ALA 61 H ALA 61 -3.208 -2.920 -1.784 425 HA ALA 61 HA ALA 61 -4.543 -1.340 -3.728 426 HB1 ALA 61 HB1 ALA 61 -2.910 -0.374 -2.210 427 HB2 ALA 61 HB2 ALA 61 -1.636 -1.361 -2.926 428 HB3 ALA 61 HB3 ALA 61 -2.427 -0.111 -3.885 429 H VAL 62 H VAL 62 -2.003 -3.793 -3.912 430 HA VAL 62 HA VAL 62 -1.600 -3.475 -6.733 431 HB VAL 62 HB VAL 62 -0.753 -5.674 -4.843 432 HG11 VAL 62 HG11 VAL 62 -0.781 -6.731 -6.922 433 HG12 VAL 62 HG12 VAL 62 -0.258 -5.277 -7.775 434 HG13 VAL 62 HG13 VAL 62 0.882 -6.166 -6.762 435 HG21 VAL 62 HG21 VAL 62 0.990 -3.608 -6.152 436 HG22 VAL 62 HG22 VAL 62 0.190 -3.308 -4.609 437 HG23 VAL 62 HG23 VAL 62 1.347 -4.631 -4.761 438 H LYS 63 H LYS 63 -3.329 -5.790 -4.681 439 HA LYS 63 HA LYS 63 -4.110 -7.645 -6.568 440 HB2 LYS 63 HB2 LYS 63 -5.580 -6.596 -4.150 441 HB3 LYS 63 HB3 LYS 63 -6.154 -7.959 -5.102 442 HG2 LYS 63 HG2 LYS 63 -4.058 -9.152 -4.614 443 HG3 LYS 63 HG3 LYS 63 -3.544 -7.797 -3.607 444 HD2 LYS 63 HD2 LYS 63 -4.777 -8.500 -1.885 445 HD3 LYS 63 HD3 LYS 63 -6.201 -8.717 -2.906 446 HE2 LYS 63 HE2 LYS 63 -5.893 -10.893 -2.380 447 HE3 LYS 63 HE3 LYS 63 -4.737 -10.821 -3.710 448 HZ1 LYS 63 HZ1 LYS 63 -3.029 -10.256 -1.977 449 HZ2 LYS 63 HZ2 LYS 63 -3.631 -11.835 -1.915 450 HZ3 LYS 63 HZ3 LYS 63 -4.173 -10.679 -0.806 451 H LYS 64 H LYS 64 -5.772 -4.632 -5.671 452 HA LYS 64 HA LYS 64 -7.802 -4.970 -7.674 453 HB2 LYS 64 HB2 LYS 64 -7.441 -3.357 -5.396 454 HB3 LYS 64 HB3 LYS 64 -7.543 -2.248 -6.756 455 HG2 LYS 64 HG2 LYS 64 -9.737 -2.531 -5.914 456 HG3 LYS 64 HG3 LYS 64 -9.650 -3.418 -7.437 457 HD2 LYS 64 HD2 LYS 64 -10.774 -4.859 -5.958 458 HD3 LYS 64 HD3 LYS 64 -9.119 -5.470 -6.020 459 HE2 LYS 64 HE2 LYS 64 -8.610 -4.654 -3.900 460 HE3 LYS 64 HE3 LYS 64 -9.949 -3.509 -3.914 461 HZ1 LYS 64 HZ1 LYS 64 -9.906 -6.089 -2.855 462 HZ2 LYS 64 HZ2 LYS 64 -10.980 -6.106 -4.160 463 HZ3 LYS 64 HZ3 LYS 64 -11.202 -5.002 -2.897 464 H ALA 65 H ALA 65 -4.727 -3.330 -7.441 465 HA ALA 65 HA ALA 65 -4.881 -1.509 -9.510 466 HB1 ALA 65 HB1 ALA 65 -2.420 -1.842 -9.750 467 HB2 ALA 65 HB2 ALA 65 -2.957 -1.561 -8.093 468 HB3 ALA 65 HB3 ALA 65 -2.546 -3.193 -8.623 469 H SER 66 H SER 66 -4.459 -4.990 -9.653 470 HA SER 66 HA SER 66 -3.812 -5.073 -12.436 471 HB2 SER 66 HB2 SER 66 -3.062 -6.932 -11.193 472 HB3 SER 66 3HB SER 66 -4.629 -7.156 -10.418 473 HG SER 66 HG SER 66 -3.761 -7.933 -12.947 474 H GLN 67 H GLN 67 -6.749 -5.069 -10.575 475 HA GLN 67 HA GLN 67 -8.456 -6.047 -12.639 476 HB2 GLN 67 HB2 GLN 67 -9.033 -4.486 -10.120 477 HB3 GLN 67 HB3 GLN 67 -10.283 -5.105 -11.192 478 HG2 GLN 67 HG2 GLN 67 -8.985 -7.374 -10.800 479 HG3 GLN 67 HG3 GLN 67 -8.496 -6.551 -9.321 480 HE21 GLN 67 HE21 GLN 67 -10.445 -5.375 -8.254 481 HE22 GLN 67 HE22 GLN 67 -11.863 -6.346 -8.072 482 H LEU 68 H LEU 68 -7.476 -2.840 -11.545 483 HA LEU 68 HA LEU 68 -9.202 -1.501 -13.435 484 HB2 LEU 68 HB2 LEU 68 -6.956 -0.323 -11.812 485 HB3 LEU 68 3HB LEU 68 -8.296 0.538 -12.568 486 HG LEU 68 HG LEU 68 -9.443 -1.327 -10.796 487 HD11 LEU 68 HD11 LEU 68 -6.937 -1.086 -9.907 488 HD12 LEU 68 HD12 LEU 68 -8.324 -1.258 -8.831 489 HD13 LEU 68 HD13 LEU 68 -7.645 0.338 -9.145 490 HD21 LEU 68 HD21 LEU 68 -10.528 0.703 -11.233 491 HD22 LEU 68 HD22 LEU 68 -9.099 1.655 -10.829 492 HD23 LEU 68 HD23 LEU 68 -10.000 0.834 -9.555 493 H GLY 69 H GLY 69 -6.474 -3.219 -13.838 494 HA2 GLY 69 HA1 GLY 69 -4.866 -3.323 -15.472 495 HA3 GLY 69 HA2 GLY 69 -5.968 -2.355 -16.440 496 H VAL 70 H VAL 70 -4.858 -1.050 -13.445 497 HA VAL 70 HA VAL 70 -3.162 0.834 -14.941 498 HB VAL 70 HB VAL 70 -3.575 2.473 -13.254 499 HG11 VAL 70 HG11 VAL 70 -6.332 1.482 -13.367 500 HG12 VAL 70 HG12 VAL 70 -5.645 3.000 -13.947 501 HG13 VAL 70 HG13 VAL 70 -5.506 1.537 -14.923 502 HG21 VAL 70 HG21 VAL 70 -4.222 0.161 -11.644 503 HG22 VAL 70 HG22 VAL 70 -3.775 1.791 -11.142 504 HG23 VAL 70 HG23 VAL 70 -5.458 1.412 -11.508 505 H LYS 71 H LYS 71 -1.617 1.952 -13.119 506 HA LYS 71 HA LYS 71 -0.298 -0.179 -11.598 507 HB2 LYS 71 HB2 LYS 71 0.972 1.568 -13.696 508 HB3 LYS 71 HB3 LYS 71 1.921 0.808 -12.427 509 HG2 LYS 71 HG2 LYS 71 2.118 -0.677 -14.184 510 HG3 LYS 71 HG3 LYS 71 0.816 -1.383 -13.223 511 HD2 LYS 71 HD2 LYS 71 -0.716 -1.048 -14.836 512 HD3 LYS 71 HD3 LYS 71 -0.075 0.544 -15.248 513 HE2 LYS 71 HE2 LYS 71 0.196 -0.925 -17.134 514 HE3 LYS 71 HE3 LYS 71 1.781 -0.567 -16.453 515 HZ1 LYS 71 HZ1 LYS 71 1.325 -2.958 -17.057 516 HZ2 LYS 71 HZ2 LYS 71 0.270 -3.009 -15.734 517 HZ3 LYS 71 HZ3 LYS 71 1.914 -2.688 -15.493 518 H ILE 72 H ILE 72 1.031 0.561 -9.876 519 HA ILE 72 HA ILE 72 0.271 3.232 -8.934 520 HB ILE 72 HB ILE 72 0.950 2.487 -6.715 521 HG12 ILE 72 HG12 ILE 72 1.755 -0.030 -8.174 522 HG13 ILE 72 HG13 ILE 72 2.769 1.013 -7.182 523 HG21 ILE 72 HG21 ILE 72 -1.016 1.474 -6.345 524 HG22 ILE 72 HG22 ILE 72 -1.277 1.711 -8.073 525 HG23 ILE 72 HG23 ILE 72 -0.668 0.167 -7.477 526 HD11 ILE 72 HD11 ILE 72 1.340 0.355 -5.226 527 HD12 ILE 72 HD12 ILE 72 0.600 -0.853 -6.276 528 HD13 ILE 72 HD13 ILE 72 2.325 -0.932 -5.922 529 H ARG 73 H ARG 73 2.090 4.079 -7.309 530 HA ARG 73 HA ARG 73 4.177 5.043 -8.859 531 HB2 ARG 73 HB2 ARG 73 3.519 6.148 -6.812 532 HB3 ARG 73 HB3 ARG 73 3.990 4.748 -5.858 533 HG2 ARG 73 HG2 ARG 73 5.683 6.396 -5.613 534 HG3 ARG 73 HG3 ARG 73 6.337 5.109 -6.629 535 HD2 ARG 73 HD2 ARG 73 6.749 6.562 -8.256 536 HD3 ARG 73 HD3 ARG 73 5.053 7.042 -8.290 537 HE ARG 73 HE ARG 73 6.563 8.262 -6.168 538 HH11 ARG 73 HH11 ARG 73 5.613 8.489 -9.509 539 HH12 ARG 73 HH12 ARG 73 5.844 10.204 -9.595 540 HH21 ARG 73 HH21 ARG 73 6.870 10.520 -6.267 541 HH22 ARG 73 HH22 ARG 73 6.560 11.358 -7.750 542 H ILE 74 H ILE 74 6.282 4.463 -9.200 543 HA ILE 74 HA ILE 74 7.401 2.151 -7.847 544 HB ILE 74 HB ILE 74 8.003 1.042 -10.002 545 HG12 ILE 74 HG12 ILE 74 5.839 2.771 -11.205 546 HG13 ILE 74 HG13 ILE 74 7.554 3.124 -11.379 547 HG21 ILE 74 HG21 ILE 74 6.078 -0.233 -10.053 548 HG22 ILE 74 HG22 ILE 74 5.964 0.536 -8.471 549 HG23 ILE 74 HG23 ILE 74 5.024 1.161 -9.825 550 HD11 ILE 74 HD11 ILE 74 5.908 1.022 -12.638 551 HD12 ILE 74 HD12 ILE 74 7.250 1.964 -13.290 552 HD13 ILE 74 HD13 ILE 74 7.567 0.599 -12.219 553 H LEU 75 H LEU 75 9.648 1.661 -8.991 554 HA LEU 75 HA LEU 75 11.752 2.374 -9.491 555 HB2 LEU 75 HB2 LEU 75 10.027 4.130 -10.950 556 HB3 LEU 75 3HB LEU 75 11.409 5.040 -10.345 557 HG LEU 75 HG LEU 75 12.837 3.181 -11.402 558 HD11 LEU 75 HD11 LEU 75 11.812 1.516 -12.444 559 HD12 LEU 75 HD12 LEU 75 11.013 2.664 -13.519 560 HD13 LEU 75 HD13 LEU 75 10.247 2.199 -11.999 561 HD21 LEU 75 HD21 LEU 75 12.964 5.309 -12.357 562 HD22 LEU 75 HD22 LEU 75 11.289 5.264 -12.910 563 HD23 LEU 75 HD23 LEU 75 12.507 4.263 -13.702 564 H HIS 76 H HIS 76 10.300 5.514 -8.682 565 HA HIS 76 HA HIS 76 12.159 5.683 -6.405 566 HB2 HIS 76 HB2 HIS 76 11.753 8.193 -6.647 567 HB3 HIS 76 3HB HIS 76 12.702 7.419 -7.913 568 HD1 HIS 76 HD1 HIS 76 9.604 9.326 -7.329 569 HD2 HIS 76 HD2 HIS 76 11.303 7.097 -10.396 570 HE1 HIS 76 HE1 HIS 76 8.295 9.915 -9.394 571 H ASP 77 H ASP 77 10.932 4.846 -4.769 572 HA ASP 77 HA ASP 77 8.238 5.891 -4.340 573 HB2 ASP 77 HB2 ASP 77 9.324 3.381 -3.987 574 HB3 ASP 77 3HB ASP 77 9.273 4.016 -2.344 575 H TYR 78 H TYR 78 11.300 5.547 -2.559 576 HA TYR 78 HA TYR 78 12.133 6.632 -0.737 577 HB2 TYR 78 HB2 TYR 78 10.721 8.792 -2.265 578 HB3 TYR 78 3HB TYR 78 11.479 9.162 -0.720 579 HD1 TYR 78 HD1 TYR 78 13.973 8.040 -0.569 580 HD2 TYR 78 HD2 TYR 78 11.987 9.297 -4.115 581 HE1 TYR 78 HE1 TYR 78 16.147 8.291 -1.691 582 HE2 TYR 78 HE2 TYR 78 14.156 9.549 -5.248 583 HH TYR 78 HH TYR 78 16.386 9.605 -4.961 584 H ALA 79 H ALA 79 9.571 5.259 -0.427 585 HA ALA 79 HA ALA 79 8.293 6.888 1.659 586 HB1 ALA 79 HB1 ALA 79 6.375 5.432 1.450 587 HB2 ALA 79 HB2 ALA 79 6.830 6.050 -0.138 588 HB3 ALA 79 HB3 ALA 79 7.248 4.399 0.318 589 H GLY 80 H GLY 80 7.103 4.980 3.191 590 HA2 GLY 80 HA1 GLY 80 9.090 4.251 4.999 591 HA3 GLY 80 HA2 GLY 80 7.474 3.563 4.958 592 H ILE 81 H ILE 81 8.053 2.642 2.123 593 HA ILE 81 HA ILE 81 9.070 0.055 2.875 594 HB ILE 81 HB ILE 81 8.519 0.908 0.049 595 HG12 ILE 81 HG12 ILE 81 6.588 1.664 1.290 596 HG13 ILE 81 HG13 ILE 81 6.157 0.193 0.427 597 HG21 ILE 81 HG21 ILE 81 9.339 -1.469 1.185 598 HG22 ILE 81 HG22 ILE 81 7.609 -1.701 0.942 599 HG23 ILE 81 HG23 ILE 81 8.641 -1.269 -0.422 600 HD11 ILE 81 HD11 ILE 81 5.247 0.214 2.681 601 HD12 ILE 81 HD12 ILE 81 6.414 -1.092 2.476 602 HD13 ILE 81 HD13 ILE 81 6.874 0.372 3.344 603 H ALA 82 H ALA 82 10.357 2.933 1.513 604 HA ALA 82 HA ALA 82 12.544 1.785 0.100 605 HB1 ALA 82 HB1 ALA 82 13.468 4.083 0.137 606 HB2 ALA 82 HB2 ALA 82 11.805 4.010 -0.443 607 HB3 ALA 82 HB3 ALA 82 12.143 4.565 1.197 608 H PHE 83 H PHE 83 12.074 2.924 3.398 609 HA PHE 83 HA PHE 83 14.861 2.374 4.059 610 HB2 PHE 83 HB2 PHE 83 13.894 4.422 4.957 611 HB3 PHE 83 3HB PHE 83 12.606 3.504 5.728 612 HD1 PHE 83 HD1 PHE 83 16.224 4.203 5.774 613 HD2 PHE 83 HD2 PHE 83 12.929 2.446 7.818 614 HE1 PHE 83 HE1 PHE 83 17.606 3.969 7.795 615 HE2 PHE 83 HE2 PHE 83 14.307 2.211 9.842 616 HZ PHE 83 HZ PHE 83 16.649 2.972 9.833 617 H TRP 84 H TRP 84 11.767 0.910 4.249 618 HA TRP 84 HA TRP 84 12.338 -0.839 6.448 619 HB2 TRP 84 HB2 TRP 84 10.046 -0.417 6.097 620 HB3 TRP 84 3HB TRP 84 10.165 -0.731 4.368 621 HD1 TRP 84 HD1 TRP 84 11.151 -2.979 7.382 622 HE1 TRP 84 HE1 TRP 84 9.987 -5.255 7.079 623 HE3 TRP 84 HE3 TRP 84 8.529 -1.985 3.107 624 HZ2 TRP 84 HZ2 TRP 84 8.195 -6.469 5.266 625 HZ3 TRP 84 HZ3 TRP 84 7.114 -3.758 2.153 626 HH2 TRP 84 HH2 TRP 84 6.953 -5.953 3.211 627 H ALA 85 H ALA 85 12.850 -0.900 3.017 628 HA ALA 85 HA ALA 85 13.329 -3.741 2.885 629 HB1 ALA 85 HB1 ALA 85 13.325 -3.485 0.651 630 HB2 ALA 85 HB2 ALA 85 12.623 -1.910 1.024 631 HB3 ALA 85 HB3 ALA 85 14.353 -2.053 0.708 632 H THR 86 H THR 86 15.138 -0.957 3.700 633 HA THR 86 HA THR 86 17.722 -1.781 2.917 634 HB THR 86 HB THR 86 18.581 -0.076 4.347 635 HG1 THR 86 HG1 THR 86 17.700 0.202 6.242 636 HG21 THR 86 HG21 THR 86 17.347 0.730 2.383 637 HG22 THR 86 HG22 THR 86 17.230 1.865 3.729 638 HG23 THR 86 HG23 THR 86 15.872 0.807 3.345 639 H GLY 87 H GLY 87 15.664 -2.733 5.521 640 HA2 GLY 87 HA1 GLY 87 17.874 -3.911 7.030 641 HA3 GLY 87 HA2 GLY 87 16.193 -3.837 7.537 642 H GLU 88 H GLU 88 18.384 -5.423 5.247 643 HA GLU 88 HA GLU 88 16.706 -7.372 4.253 644 HB2 GLU 88 HB2 GLU 88 19.568 -6.966 4.461 645 HB3 GLU 88 HB3 GLU 88 19.154 -8.668 4.609 646 HG2 GLU 88 HG2 GLU 88 19.461 -8.436 2.344 647 HG3 GLU 88 HG3 GLU 88 17.714 -8.253 2.502 648 H TRP 89 H TRP 89 18.230 -7.166 7.383 649 HA TRP 89 HA TRP 89 17.600 -9.889 8.105 650 HB2 TRP 89 HB2 TRP 89 19.282 -7.829 9.120 651 HB3 TRP 89 3HB TRP 89 18.171 -8.295 10.404 652 HD1 TRP 89 HD1 TRP 89 19.876 -10.590 7.782 653 HE1 TRP 89 HE1 TRP 89 21.185 -12.406 9.053 654 HE3 TRP 89 HE3 TRP 89 19.060 -8.980 12.565 655 HZ2 TRP 89 HZ2 TRP 89 21.791 -13.068 11.730 656 HZ3 TRP 89 HZ3 TRP 89 20.039 -10.262 14.424 657 HH2 TRP 89 HH2 TRP 89 21.375 -12.263 14.012 658 H LYS 90 H LYS 90 15.719 -10.576 8.871 659 HA LYS 90 HA LYS 90 13.502 -8.867 9.226 660 HB2 LYS 90 HB2 LYS 90 12.409 -10.928 10.188 661 HB3 LYS 90 HB3 LYS 90 13.083 -11.116 8.574 662 HG2 LYS 90 HG2 LYS 90 15.108 -11.806 10.423 663 HG3 LYS 90 HG3 LYS 90 13.624 -12.622 10.921 664 HD2 LYS 90 HD2 LYS 90 13.368 -13.480 8.616 665 HD3 LYS 90 HD3 LYS 90 14.906 -12.726 8.189 666 HE2 LYS 90 HE2 LYS 90 15.607 -14.854 8.665 667 HE3 LYS 90 HE3 LYS 90 15.779 -14.102 10.251 668 HZ1 LYS 90 HZ1 LYS 90 13.713 -15.045 10.940 669 HZ2 LYS 90 HZ2 LYS 90 14.660 -16.289 10.296 670 HZ3 LYS 90 HZ3 LYS 90 13.390 -15.638 9.390 671 H ALA 91 H ALA 91 13.735 -7.324 10.776 672 HA ALA 91 HA ALA 91 14.796 -7.901 13.379 673 HB1 ALA 91 HB1 ALA 91 14.415 -5.610 13.878 674 HB2 ALA 91 HB2 ALA 91 14.972 -5.686 12.206 675 HB3 ALA 91 HB3 ALA 91 13.261 -5.446 12.556 676 H LYS 92 H LYS 92 11.561 -7.127 12.113 677 HA LYS 92 HA LYS 92 10.328 -7.645 14.676 678 HB2 LYS 92 HB2 LYS 92 9.369 -6.747 11.989 679 HB3 LYS 92 HB3 LYS 92 8.203 -7.397 13.134 680 HG2 LYS 92 HG2 LYS 92 10.055 -5.304 14.117 681 HG3 LYS 92 HG3 LYS 92 8.780 -4.814 12.998 682 HD2 LYS 92 HD2 LYS 92 7.119 -5.237 14.492 683 HD3 LYS 92 HD3 LYS 92 7.988 -6.578 15.241 684 HE2 LYS 92 HE2 LYS 92 9.422 -4.152 15.709 685 HE3 LYS 92 HE3 LYS 92 7.735 -3.921 16.166 686 HZ1 LYS 92 HZ1 LYS 92 9.411 -6.190 17.087 687 HZ2 LYS 92 HZ2 LYS 92 7.855 -5.796 17.618 688 HZ3 LYS 92 HZ3 LYS 92 9.155 -4.776 17.981 689 H ASN 93 H ASN 93 10.629 -9.245 11.552 690 HA ASN 93 HA ASN 93 9.878 -11.283 10.805 691 HB2 ASN 93 HB2 ASN 93 10.667 -13.149 12.210 692 HB3 ASN 93 3HB ASN 93 11.881 -11.880 12.076 693 HD21 ASN 93 HD21 ASN 93 9.850 -13.665 14.166 694 HD22 ASN 93 HD22 ASN 93 10.355 -12.938 15.649 695 H GLU 94 H GLU 94 7.749 -9.791 11.835 696 HA GLU 94 HA GLU 94 6.181 -11.680 13.426 697 HB2 GLU 94 HB2 GLU 94 6.163 -8.780 13.017 698 HB3 GLU 94 HB3 GLU 94 4.559 -9.501 12.982 699 HG2 GLU 94 HG2 GLU 94 6.562 -9.851 15.201 700 HG3 GLU 94 HG3 GLU 94 5.215 -8.714 15.217 701 H PHE 95 H PHE 95 5.220 -9.467 10.817 702 HA PHE 95 HA PHE 95 4.175 -11.729 9.286 703 HB2 PHE 95 HB2 PHE 95 2.489 -10.302 10.903 704 HB3 PHE 95 3HB PHE 95 2.335 -9.436 9.377 705 HD1 PHE 95 HD1 PHE 95 2.633 -13.029 10.353 706 HD2 PHE 95 HD2 PHE 95 0.474 -10.056 8.204 707 HE1 PHE 95 HE1 PHE 95 1.077 -14.753 9.538 708 HE2 PHE 95 HE2 PHE 95 -1.086 -11.774 7.387 709 HZ PHE 95 HZ PHE 95 -0.787 -14.126 8.054 710 H THR 96 H THR 96 6.221 -9.369 9.219 711 HA THR 96 HA THR 96 5.444 -7.843 6.923 712 HB THR 96 HB THR 96 8.272 -7.776 7.238 713 HG1 THR 96 HG1 THR 96 8.463 -7.375 9.433 714 HG21 THR 96 HG21 THR 96 7.930 -5.494 7.552 715 HG22 THR 96 HG22 THR 96 6.387 -5.738 8.372 716 HG23 THR 96 HG23 THR 96 6.508 -5.978 6.629 717 H GLN 97 H GLN 97 7.546 -10.626 7.502 718 HA GLN 97 HA GLN 97 8.803 -10.870 5.071 719 HB2 GLN 97 HB2 GLN 97 8.440 -12.484 7.327 720 HB3 GLN 97 HB3 GLN 97 7.875 -13.459 5.976 721 HG2 GLN 97 HG2 GLN 97 10.322 -12.202 5.241 722 HG3 GLN 97 HG3 GLN 97 10.525 -12.981 6.808 723 HE21 GLN 97 HE21 GLN 97 8.500 -13.898 4.062 724 HE22 GLN 97 HE22 GLN 97 9.239 -15.438 3.803 725 H ALA 98 H ALA 98 5.517 -11.829 5.929 726 HA ALA 98 HA ALA 98 4.763 -13.311 3.751 727 HB1 ALA 98 HB1 ALA 98 2.755 -11.326 4.538 728 HB2 ALA 98 HB2 ALA 98 2.677 -13.089 4.545 729 HB3 ALA 98 HB3 ALA 98 3.455 -12.235 5.878 730 H TYR 99 H TYR 99 4.989 -9.790 3.988 731 HA TYR 99 HA TYR 99 3.800 -9.049 1.609 732 HB2 TYR 99 HB2 TYR 99 4.553 -7.425 3.271 733 HB3 TYR 99 3HB TYR 99 6.234 -7.827 2.930 734 HD1 TYR 99 HD1 TYR 99 3.228 -6.136 1.662 735 HD2 TYR 99 HD2 TYR 99 7.339 -6.980 0.962 736 HE1 TYR 99 HE1 TYR 99 3.282 -4.399 -0.078 737 HE2 TYR 99 HE2 TYR 99 7.405 -5.245 -0.779 738 HH TYR 99 HH TYR 99 4.493 -3.602 -1.846 739 H ALA 100 H ALA 100 7.266 -9.715 2.127 740 HA ALA 100 HA ALA 100 8.143 -9.433 -0.477 741 HB1 ALA 100 HB1 ALA 100 10.110 -10.288 0.247 742 HB2 ALA 100 HB2 ALA 100 9.356 -10.057 1.825 743 HB3 ALA 100 HB3 ALA 100 9.345 -11.649 1.067 744 H LYS 101 H LYS 101 6.448 -12.109 1.011 745 HA LYS 101 HA LYS 101 6.894 -13.933 -1.160 746 HB2 LYS 101 HB2 LYS 101 4.614 -14.279 0.735 747 HB3 LYS 101 HB3 LYS 101 5.719 -15.481 0.081 748 HG2 LYS 101 HG2 LYS 101 7.503 -14.328 1.526 749 HG3 LYS 101 HG3 LYS 101 6.136 -13.589 2.363 750 HD2 LYS 101 HD2 LYS 101 6.701 -16.535 2.055 751 HD3 LYS 101 HD3 LYS 101 6.790 -15.585 3.540 752 HE2 LYS 101 HE2 LYS 101 4.244 -15.081 2.707 753 HE3 LYS 101 HE3 LYS 101 4.470 -16.746 2.172 754 HZ1 LYS 101 HZ1 LYS 101 3.639 -16.174 4.584 755 HZ2 LYS 101 HZ2 LYS 101 5.298 -16.066 4.893 756 HZ3 LYS 101 HZ3 LYS 101 4.641 -17.504 4.291 757 H LEU 102 H LEU 102 3.992 -12.233 0.037 758 HA LEU 102 HA LEU 102 2.278 -12.931 -2.033 759 HB2 LEU 102 HB2 LEU 102 2.299 -10.325 -0.519 760 HB3 LEU 102 3HB LEU 102 0.929 -11.029 -1.378 761 HG LEU 102 HG LEU 102 2.235 -12.282 1.034 762 HD11 LEU 102 HD11 LEU 102 0.417 -11.437 2.342 763 HD12 LEU 102 HD12 LEU 102 -0.334 -10.714 0.920 764 HD13 LEU 102 HD13 LEU 102 1.194 -10.079 1.527 765 HD21 LEU 102 HD21 LEU 102 0.639 -13.906 0.939 766 HD22 LEU 102 HD22 LEU 102 0.801 -13.565 -0.785 767 HD23 LEU 102 HD23 LEU 102 -0.534 -12.864 0.132 768 H MET 103 H MET 103 4.921 -10.734 -2.017 769 HA MET 103 HA MET 103 4.258 -8.895 -3.963 770 HB2 MET 103 HB2 MET 103 6.330 -8.704 -2.760 771 HB3 MET 103 HB3 MET 103 6.905 -10.236 -3.404 772 HG2 MET 103 HG2 MET 103 7.651 -9.300 -5.282 773 HG3 MET 103 HG3 MET 103 6.208 -8.307 -5.470 774 HE1 MET 103 HE1 MET 103 9.602 -8.165 -5.591 775 HE2 MET 103 HE2 MET 103 10.228 -6.823 -4.633 776 HE3 MET 103 HE3 MET 103 9.919 -8.384 -3.870 777 H ASN 104 H ASN 104 6.193 -11.821 -4.622 778 HA ASN 104 HA ASN 104 5.961 -11.726 -7.392 779 HB2 ASN 104 HB2 ASN 104 7.611 -13.140 -6.328 780 HB3 ASN 104 3HB ASN 104 6.351 -14.108 -5.569 781 HD21 ASN 104 HD21 ASN 104 5.006 -15.407 -6.928 782 HD22 ASN 104 HD22 ASN 104 5.605 -15.983 -8.442 783 H GLN 105 H GLN 105 3.767 -12.966 -4.981 784 HA GLN 105 HA GLN 105 2.158 -14.657 -6.435 785 HB2 GLN 105 HB2 GLN 105 2.010 -13.338 -3.958 786 HB3 GLN 105 HB3 GLN 105 0.519 -12.936 -4.800 787 HG2 GLN 105 HG2 GLN 105 1.368 -15.773 -4.812 788 HG3 GLN 105 HG3 GLN 105 0.773 -15.103 -3.293 789 HE21 GLN 105 HE21 GLN 105 -0.124 -14.744 -6.710 790 HE22 GLN 105 HE22 GLN 105 -1.801 -15.097 -6.482 791 H TYR 106 H TYR 106 1.869 -11.122 -6.174 792 HA TYR 106 HA TYR 106 0.304 -11.165 -8.669 793 HB2 TYR 106 HB2 TYR 106 -0.719 -8.976 -7.619 794 HB3 TYR 106 3HB TYR 106 -1.365 -10.559 -7.197 795 HD1 TYR 106 HD1 TYR 106 1.079 -7.995 -6.040 796 HD2 TYR 106 HD2 TYR 106 -1.512 -11.194 -4.961 797 HE1 TYR 106 HE1 TYR 106 1.499 -7.526 -3.663 798 HE2 TYR 106 HE2 TYR 106 -1.099 -10.732 -2.581 799 HH TYR 106 HH TYR 106 -0.356 -8.961 -1.151 800 H ARG 107 H ARG 107 3.132 -10.846 -8.404 801 HA ARG 107 HA ARG 107 3.726 -8.032 -8.654 802 HB2 ARG 107 HB2 ARG 107 5.458 -9.279 -7.665 803 HB3 ARG 107 HB3 ARG 107 5.352 -10.551 -8.877 804 HG2 ARG 107 HG2 ARG 107 6.016 -7.952 -10.009 805 HG3 ARG 107 HG3 ARG 107 7.194 -8.522 -8.824 806 HD2 ARG 107 HD2 ARG 107 7.663 -10.457 -10.049 807 HD3 ARG 107 HD3 ARG 107 6.187 -10.317 -11.005 808 HE ARG 107 HE ARG 107 7.925 -8.103 -11.430 809 HH11 ARG 107 HH11 ARG 107 7.413 -11.445 -12.263 810 HH12 ARG 107 HH12 ARG 107 8.236 -11.328 -13.783 811 HH21 ARG 107 HH21 ARG 107 9.010 -7.936 -13.429 812 HH22 ARG 107 HH22 ARG 107 9.145 -9.331 -14.445 813 H GLY 108 H GLY 108 3.792 -6.870 -10.474 814 HA2 GLY 108 HA1 GLY 108 4.643 -7.470 -12.960 815 HA3 GLY 108 HA2 GLY 108 3.017 -8.135 -12.961 816 H ILE 109 H ILE 109 2.264 -5.893 -11.030 817 HA ILE 109 HA ILE 109 1.843 -3.868 -13.120 818 HB ILE 109 HB ILE 109 0.012 -3.060 -11.530 819 HG12 ILE 109 HG12 ILE 109 1.073 -4.711 -9.725 820 HG13 ILE 109 HG13 ILE 109 -0.643 -4.321 -9.733 821 HG21 ILE 109 HG21 ILE 109 -0.065 -5.633 -13.062 822 HG22 ILE 109 HG22 ILE 109 -1.505 -5.014 -12.255 823 HG23 ILE 109 HG23 ILE 109 -0.714 -4.053 -13.504 824 HD11 ILE 109 HD11 ILE 109 -1.187 -6.378 -10.779 825 HD12 ILE 109 HD12 ILE 109 0.512 -6.735 -11.097 826 HD13 ILE 109 HD13 ILE 109 -0.096 -6.738 -9.442 827 H TYR 110 H TYR 110 3.022 -4.382 -9.869 828 HA TYR 110 HA TYR 110 3.851 -1.555 -9.769 829 HB2 TYR 110 HB2 TYR 110 3.553 -1.517 -7.449 830 HB3 TYR 110 3HB TYR 110 2.171 -2.448 -8.018 831 HD1 TYR 110 HD1 TYR 110 2.319 -4.991 -7.906 832 HD2 TYR 110 HD2 TYR 110 5.041 -2.424 -5.880 833 HE1 TYR 110 HE1 TYR 110 2.948 -6.844 -6.416 834 HE2 TYR 110 HE2 TYR 110 5.679 -4.270 -4.385 835 HH TYR 110 HH TYR 110 4.210 -6.636 -3.655 836 H SER 111 H SER 111 5.764 -1.369 -8.078 837 HA SER 111 HA SER 111 7.655 -3.568 -8.314 838 HB2 SER 111 HB2 SER 111 8.336 -2.532 -10.285 839 HB3 SER 111 3HB SER 111 7.977 -0.915 -9.679 840 HG SER 111 HG SER 111 10.112 -2.592 -8.848 841 H PHE 112 H PHE 112 9.622 -3.197 -7.026 842 HA PHE 112 HA PHE 112 9.827 -1.030 -5.216 843 HB2 PHE 112 HB2 PHE 112 8.187 -3.324 -4.400 844 HB3 PHE 112 3HB PHE 112 9.459 -2.915 -3.255 845 HD1 PHE 112 HD1 PHE 112 9.653 -0.245 -2.880 846 HD2 PHE 112 HD2 PHE 112 6.147 -2.366 -4.028 847 HE1 PHE 112 HE1 PHE 112 8.262 1.578 -1.986 848 HE2 PHE 112 HE2 PHE 112 4.750 -0.547 -3.138 849 HZ PHE 112 HZ PHE 112 5.808 1.428 -2.116 850 H GLU 113 H GLU 113 11.421 -1.627 -3.375 851 HA GLU 113 HA GLU 113 13.656 -2.973 -4.639 852 HB2 GLU 113 HB2 GLU 113 13.341 -0.863 -2.751 853 HB3 GLU 113 HB3 GLU 113 14.294 -2.130 -1.995 854 HG2 GLU 113 HG2 GLU 113 15.875 -0.754 -2.989 855 HG3 GLU 113 HG3 GLU 113 15.703 -2.091 -4.125 856 H LYS 114 H LYS 114 14.918 -4.601 -3.574 857 HA LYS 114 HA LYS 114 13.511 -6.798 -2.690 858 HB2 LYS 114 HB2 LYS 114 16.202 -6.161 -3.145 859 HB3 LYS 114 HB3 LYS 114 16.142 -6.747 -1.487 860 HG2 LYS 114 HG2 LYS 114 15.367 -8.845 -2.126 861 HG3 LYS 114 HG3 LYS 114 14.837 -8.272 -3.709 862 HD2 LYS 114 HD2 LYS 114 16.808 -9.525 -4.089 863 HD3 LYS 114 HD3 LYS 114 17.276 -7.829 -4.219 864 HE2 LYS 114 HE2 LYS 114 17.520 -8.695 -1.499 865 HE3 LYS 114 HE3 LYS 114 18.383 -9.812 -2.555 866 HZ1 LYS 114 HZ1 LYS 114 19.723 -7.897 -1.747 867 HZ2 LYS 114 HZ2 LYS 114 18.730 -6.868 -2.651 868 HZ3 LYS 114 HZ3 LYS 114 19.669 -8.038 -3.432 869 H VAL 115 H VAL 115 12.091 -6.621 -1.041 870 HA VAL 115 HA VAL 115 13.119 -5.641 1.542 871 HB VAL 115 HB VAL 115 11.125 -4.448 0.418 872 HG11 VAL 115 HG11 VAL 115 8.954 -5.414 0.750 873 HG12 VAL 115 HG12 VAL 115 9.944 -6.563 -0.151 874 HG13 VAL 115 HG13 VAL 115 9.650 -6.811 1.570 875 HG21 VAL 115 HG21 VAL 115 10.042 -4.996 2.997 876 HG22 VAL 115 HG22 VAL 115 11.802 -4.978 3.114 877 HG23 VAL 115 HG23 VAL 115 10.948 -3.582 2.456 878 H LYS 116 H LYS 116 12.692 -6.819 3.410 879 HA LYS 116 HA LYS 116 11.553 -9.505 3.025 880 HB2 LYS 116 HB2 LYS 116 14.138 -8.744 4.370 881 HB3 LYS 116 HB3 LYS 116 13.310 -10.249 4.751 882 HG2 LYS 116 HG2 LYS 116 13.390 -10.293 2.012 883 HG3 LYS 116 HG3 LYS 116 14.925 -9.533 2.436 884 HD2 LYS 116 HD2 LYS 116 15.550 -11.387 3.804 885 HD3 LYS 116 HD3 LYS 116 13.938 -12.096 3.676 886 HE2 LYS 116 HE2 LYS 116 14.259 -12.649 1.402 887 HE3 LYS 116 HE3 LYS 116 15.690 -11.628 1.277 888 HZ1 LYS 116 HZ1 LYS 116 16.366 -13.902 1.404 889 HZ2 LYS 116 HZ2 LYS 116 15.446 -14.165 2.799 890 HZ3 LYS 116 HZ3 LYS 116 16.798 -13.148 2.856 891 H ALA 117 H ALA 117 12.846 -7.522 5.698 892 HA ALA 117 HA ALA 117 10.359 -7.068 6.930 893 HB1 ALA 117 HB1 ALA 117 10.580 -8.584 8.873 894 HB2 ALA 117 HB2 ALA 117 10.314 -9.440 7.352 895 HB3 ALA 117 HB3 ALA 117 11.928 -9.381 8.060 896 H HIS 118 H HIS 118 10.574 -6.081 9.070 897 HA HIS 118 HA HIS 118 12.997 -5.572 10.351 898 HB2 HIS 118 HB2 HIS 118 12.969 -4.243 7.951 899 HB3 HIS 118 3HB HIS 118 12.356 -3.015 9.054 900 HD1 HIS 118 HD1 HIS 118 15.062 -5.574 9.771 901 HD2 HIS 118 HD2 HIS 118 14.571 -1.466 9.387 902 HE1 HIS 118 HE1 HIS 118 17.269 -4.567 10.439 903 H SER 119 H SER 119 12.699 -3.067 11.368 904 HA SER 119 HA SER 119 10.345 -3.401 13.010 905 HB2 SER 119 HB2 SER 119 11.276 -1.343 14.180 906 HB3 SER 119 3HB SER 119 12.318 -2.766 14.185 907 HG SER 119 HG SER 119 13.721 -1.746 12.979 908 H GLY 120 H GLY 120 11.640 -0.397 11.610 909 HA2 GLY 120 HA1 GLY 120 10.058 0.499 9.765 910 HA3 GLY 120 HA2 GLY 120 8.871 0.427 11.058 911 H ASN 121 H ASN 121 8.856 2.791 10.278 912 HA ASN 121 HA ASN 121 9.861 4.407 12.323 913 HB2 ASN 121 HB2 ASN 121 11.824 3.825 10.384 914 HB3 ASN 121 3HB ASN 121 11.312 5.483 10.078 915 HD21 ASN 121 HD21 ASN 121 13.317 6.269 10.743 916 HD22 ASN 121 HD22 ASN 121 13.761 6.334 12.411 917 H GLU 122 H GLU 122 10.065 6.866 11.181 918 HA GLU 122 HA GLU 122 7.354 7.386 10.429 919 HB2 GLU 122 HB2 GLU 122 7.957 9.709 10.482 920 HB3 GLU 122 HB3 GLU 122 8.725 8.912 11.848 921 HG2 GLU 122 HG2 GLU 122 10.693 9.663 11.198 922 HG3 GLU 122 HG3 GLU 122 10.523 8.818 9.661 923 H PHE 123 H PHE 123 9.998 6.375 8.696 924 HA PHE 123 HA PHE 123 10.039 7.853 6.369 925 HB2 PHE 123 HB2 PHE 123 10.526 4.950 6.943 926 HB3 PHE 123 3HB PHE 123 10.569 5.536 5.283 927 HD1 PHE 123 HD1 PHE 123 12.196 7.358 4.685 928 HD2 PHE 123 HD2 PHE 123 12.340 5.265 8.389 929 HE1 PHE 123 HE1 PHE 123 14.523 8.090 5.005 930 HE2 PHE 123 HE2 PHE 123 14.667 5.995 8.714 931 HZ PHE 123 HZ PHE 123 15.762 7.408 7.021 932 H ASN 124 H ASN 124 7.654 5.569 7.475 933 HA ASN 124 HA ASN 124 6.342 5.247 4.956 934 HB2 ASN 124 HB2 ASN 124 4.431 4.450 6.568 935 HB3 ASN 124 3HB ASN 124 5.888 3.478 6.381 936 HD21 ASN 124 HD21 ASN 124 5.929 2.526 8.340 937 HD22 ASN 124 HD22 ASN 124 6.110 3.379 9.832 938 H ASP 125 H ASP 125 5.815 7.276 7.805 939 HA ASP 125 HA ASP 125 3.376 8.406 7.162 940 HB2 ASP 125 HB2 ASP 125 5.702 9.206 8.800 941 HB3 ASP 125 3HB ASP 125 4.641 10.521 8.300 942 H TYR 126 H TYR 126 6.467 8.903 5.697 943 HA TYR 126 HA TYR 126 6.229 11.413 4.574 944 HB2 TYR 126 HB2 TYR 126 8.299 10.403 4.241 945 HB3 TYR 126 3HB TYR 126 7.586 8.894 3.680 946 HD1 TYR 126 HD1 TYR 126 6.737 8.706 1.372 947 HD2 TYR 126 HD2 TYR 126 8.741 12.207 2.725 948 HE1 TYR 126 HE1 TYR 126 7.069 9.410 -0.961 949 HE2 TYR 126 HE2 TYR 126 9.078 12.921 0.397 950 HH TYR 126 HH TYR 126 8.997 11.096 -2.116 951 H VAL 127 H VAL 127 4.785 8.376 3.550 952 HA VAL 127 HA VAL 127 3.889 9.076 1.014 953 HB VAL 127 HB VAL 127 2.168 7.365 1.272 954 HG11 VAL 127 HG11 VAL 127 4.582 6.771 0.917 955 HG12 VAL 127 HG12 VAL 127 4.682 6.438 2.648 956 HG13 VAL 127 HG13 VAL 127 3.594 5.494 1.628 957 HG21 VAL 127 HG21 VAL 127 2.688 6.345 3.849 958 HG22 VAL 127 HG22 VAL 127 2.378 8.071 4.034 959 HG23 VAL 127 HG23 VAL 127 1.187 7.042 3.239 960 H ASP 128 H ASP 128 2.796 10.130 4.112 961 HA ASP 128 HA ASP 128 0.162 10.876 3.507 962 HB2 ASP 128 HB2 ASP 128 1.523 10.859 5.774 963 HB3 ASP 128 3HB ASP 128 1.802 12.549 5.361 964 H MET 129 H MET 129 3.132 12.848 3.474 965 HA MET 129 HA MET 129 1.857 15.129 2.359 966 HB2 MET 129 HB2 MET 129 4.414 14.483 3.392 967 HB3 MET 129 HB3 MET 129 4.660 15.108 1.766 968 HG2 MET 129 HG2 MET 129 3.012 16.980 2.592 969 HG3 MET 129 HG3 MET 129 3.578 16.461 4.178 970 HE1 MET 129 HE1 MET 129 6.127 15.621 4.137 971 HE2 MET 129 HE2 MET 129 6.973 15.819 2.602 972 HE3 MET 129 HE3 MET 129 7.357 16.874 3.963 973 H LYS 130 H LYS 130 3.706 12.448 0.998 974 HA LYS 130 HA LYS 130 3.980 13.398 -1.614 975 HB2 LYS 130 HB2 LYS 130 4.658 11.088 -0.263 976 HB3 LYS 130 HB3 LYS 130 3.487 10.520 -1.446 977 HG2 LYS 130 HG2 LYS 130 6.008 12.059 -2.029 978 HG3 LYS 130 HG3 LYS 130 5.732 10.342 -2.323 979 HD2 LYS 130 HD2 LYS 130 5.157 11.013 -4.390 980 HD3 LYS 130 HD3 LYS 130 3.626 11.462 -3.635 981 HE2 LYS 130 HE2 LYS 130 4.051 13.672 -3.791 982 HE3 LYS 130 HE3 LYS 130 5.768 13.471 -3.441 983 HZ1 LYS 130 HZ1 LYS 130 4.498 12.825 -6.047 984 HZ2 LYS 130 HZ2 LYS 130 6.151 12.789 -5.693 985 HZ3 LYS 130 HZ3 LYS 130 5.323 14.264 -5.714 986 H ALA 131 H ALA 131 1.396 11.443 -0.161 987 HA ALA 131 HA ALA 131 -0.150 11.078 -2.461 988 HB1 ALA 131 HB1 ALA 131 -0.815 9.731 -0.724 989 HB2 ALA 131 HB2 ALA 131 -0.729 11.032 0.463 990 HB3 ALA 131 HB3 ALA 131 -2.067 10.972 -0.684 991 H LYS 132 H LYS 132 0.060 13.775 -0.229 992 HA LYS 132 HA LYS 132 -2.251 15.165 -0.972 993 HB2 LYS 132 HB2 LYS 132 0.151 15.697 0.544 994 HB3 LYS 132 HB3 LYS 132 -0.299 17.102 -0.413 995 HG2 LYS 132 HG2 LYS 132 -2.695 16.495 0.605 996 HG3 LYS 132 HG3 LYS 132 -1.665 15.854 1.887 997 HD2 LYS 132 HD2 LYS 132 -0.503 18.055 1.963 998 HD3 LYS 132 HD3 LYS 132 -1.677 18.669 0.798 999 HE2 LYS 132 HE2 LYS 132 -2.618 19.340 2.789 1000 HE3 LYS 132 HE3 LYS 132 -3.422 17.793 2.530 1001 HZ1 LYS 132 HZ1 LYS 132 -2.252 18.434 4.807 1002 HZ2 LYS 132 HZ2 LYS 132 -0.923 17.737 4.026 1003 HZ3 LYS 132 HZ3 LYS 132 -2.338 16.838 4.250 1004 H SER 133 H SER 133 0.945 15.039 -2.429 1005 HA SER 133 HA SER 133 0.711 17.199 -4.190 1006 HB2 SER 133 HB2 SER 133 2.792 15.813 -3.664 1007 HB3 SER 133 3HB SER 133 2.185 14.644 -4.837 1008 HG SER 133 HG SER 133 2.275 16.254 -6.418 1009 H ALA 134 H ALA 134 -0.525 13.936 -4.362 1010 HA ALA 134 HA ALA 134 -1.089 13.661 -7.047 1011 HB1 ALA 134 HB1 ALA 134 -3.247 12.738 -5.293 1012 HB2 ALA 134 HB2 ALA 134 -2.239 11.839 -6.427 1013 HB3 ALA 134 HB3 ALA 134 -1.634 12.210 -4.813 1014 H LEU 135 H LEU 135 -2.923 15.405 -4.579 1015 HA LEU 135 HA LEU 135 -4.953 16.182 -6.507 1016 HB2 LEU 135 HB2 LEU 135 -4.587 16.466 -3.564 1017 HB3 LEU 135 3HB LEU 135 -5.673 17.579 -4.395 1018 HG LEU 135 HG LEU 135 -7.170 15.875 -4.966 1019 HD11 LEU 135 HD11 LEU 135 -5.641 14.254 -5.860 1020 HD12 LEU 135 HD12 LEU 135 -6.651 13.472 -4.645 1021 HD13 LEU 135 HD13 LEU 135 -4.990 13.920 -4.255 1022 HD21 LEU 135 HD21 LEU 135 -7.223 16.451 -2.586 1023 HD22 LEU 135 HD22 LEU 135 -6.080 15.150 -2.247 1024 HD23 LEU 135 HD23 LEU 135 -7.691 14.773 -2.860 1025 H GLY 136 H GLY 136 -1.956 17.320 -5.430 1026 HA2 GLY 136 HA1 GLY 136 -0.778 19.186 -6.120 1027 HA3 GLY 136 HA2 GLY 136 -2.199 19.704 -7.014 1028 H ILE 137 H ILE 137 -2.069 18.985 -3.566 1029 HA ILE 137 HA ILE 137 -3.338 21.441 -2.898 1030 HB ILE 137 HB ILE 137 -1.885 19.695 -0.928 1031 HG12 ILE 137 HG12 ILE 137 -4.546 19.216 -2.271 1032 HG13 ILE 137 HG13 ILE 137 -3.160 18.132 -2.204 1033 HG21 ILE 137 HG21 ILE 137 -2.912 21.913 -0.278 1034 HG22 ILE 137 HG22 ILE 137 -4.480 21.181 -0.616 1035 HG23 ILE 137 HG23 ILE 137 -3.447 20.509 0.646 1036 HD11 ILE 137 HD11 ILE 137 -4.223 17.143 -0.525 1037 HD12 ILE 137 HD12 ILE 137 -3.755 18.541 0.444 1038 HD13 ILE 137 HD13 ILE 137 -5.341 18.493 -0.326 1039 H ARG 138 H ARG 138 -2.525 23.314 -2.091 1040 HA ARG 138 HA ARG 138 0.116 24.043 -2.686 1041 HB2 ARG 138 HB2 ARG 138 -0.380 26.142 -1.706 1042 HB3 ARG 138 HB3 ARG 138 -1.886 25.574 -2.414 1043 HG2 ARG 138 HG2 ARG 138 -2.039 24.596 0.135 1044 HG3 ARG 138 HG3 ARG 138 -1.213 26.138 0.365 1045 HD2 ARG 138 HD2 ARG 138 -3.335 26.919 0.432 1046 HD3 ARG 138 HD3 ARG 138 -3.137 26.925 -1.319 1047 HE ARG 138 HE ARG 138 -4.752 25.325 -1.438 1048 HH11 ARG 138 HH11 ARG 138 -3.379 25.269 1.761 1049 HH12 ARG 138 HH12 ARG 138 -4.485 24.075 2.356 1050 HH21 ARG 138 HH21 ARG 138 -6.214 23.754 -0.666 1051 HH22 ARG 138 HH22 ARG 138 -6.096 23.213 0.975 1052 H ASP 139 H ASP 139 1.255 25.357 -0.661 1053 HA ASP 139 HA ASP 139 1.340 24.118 1.842 1054 HB2 ASP 139 HB2 ASP 139 2.517 22.513 -0.130 1055 HB3 ASP 139 3HB ASP 139 3.867 23.261 0.718 1056 H LEU 140 H LEU 140 2.651 25.226 3.240 1057 HA LEU 140 HA LEU 140 4.747 26.953 2.222 1058 HB2 LEU 140 HB2 LEU 140 2.107 27.921 2.849 1059 HB3 LEU 140 3HB LEU 140 3.304 28.643 3.922 1060 HG LEU 140 HG LEU 140 3.771 28.666 0.971 1061 HD11 LEU 140 HD11 LEU 140 2.470 30.581 0.626 1062 HD12 LEU 140 HD12 LEU 140 2.206 30.822 2.353 1063 HD13 LEU 140 HD13 LEU 140 1.418 29.482 1.519 1064 HD21 LEU 140 HD21 LEU 140 5.100 29.642 3.233 1065 HD22 LEU 140 HD22 LEU 140 4.397 31.054 2.443 1066 HD23 LEU 140 HD23 LEU 140 5.467 29.979 1.541 1067 H GLU 141 H GLU 141 6.278 26.024 3.483 1068 HA GLU 141 HA GLU 141 6.231 26.656 6.297 1069 HB2 GLU 141 HB2 GLU 141 5.660 23.952 5.330 1070 HB3 GLU 141 HB3 GLU 141 6.993 24.013 6.475 1071 HG2 GLU 141 HG2 GLU 141 5.210 25.561 7.757 1072 HG3 GLU 141 HG3 GLU 141 4.118 24.486 6.885 1073 H HIS 142 H HIS 142 8.263 26.789 7.182 1074 HA HIS 142 HA HIS 142 10.586 25.584 6.184 1075 HB2 HIS 142 HB2 HIS 142 11.663 27.632 5.182 1076 HB3 HIS 142 3HB HIS 142 10.376 26.922 4.212 1077 HD1 HIS 142 HD1 HIS 142 8.111 28.248 4.112 1078 HD2 HIS 142 HD2 HIS 142 11.219 30.225 6.033 1079 HE1 HIS 142 HE1 HIS 142 7.378 30.648 4.283 1080 H HIS 143 H HIS 143 11.796 25.495 7.946 1081 HA HIS 143 HA HIS 143 12.707 27.751 9.354 1082 HB2 HIS 143 HB2 HIS 143 10.131 26.945 10.144 1083 HB3 HIS 143 3HB HIS 143 11.219 26.365 11.402 1084 HD1 HIS 143 HD1 HIS 143 12.113 28.064 13.023 1085 HD2 HIS 143 HD2 HIS 143 10.216 29.803 9.761 1086 HE1 HIS 143 HE1 HIS 143 11.948 30.514 13.568 1087 H HIS 144 H HIS 144 13.425 26.829 11.755 1088 HA HIS 144 HA HIS 144 14.929 25.511 12.838 1089 HB2 HIS 144 HB2 HIS 144 13.879 23.288 11.077 1090 HB3 HIS 144 3HB HIS 144 14.730 23.107 12.607 1091 HD1 HIS 144 HD1 HIS 144 13.300 24.672 14.585 1092 HD2 HIS 144 HD2 HIS 144 11.259 22.829 11.471 1093 HE1 HIS 144 HE1 HIS 144 10.920 24.466 15.371 1094 H HIS 145 H HIS 145 16.788 23.832 12.377 1095 HA HIS 145 HA HIS 145 17.937 23.803 9.783 1096 HB2 HIS 145 HB2 HIS 145 19.790 25.310 10.091 1097 HB3 HIS 145 3HB HIS 145 18.303 26.200 10.407 1098 HD1 HIS 145 HD1 HIS 145 21.067 27.089 11.528 1099 HD2 HIS 145 HD2 HIS 145 18.263 24.843 13.615 1100 HE1 HIS 145 HE1 HIS 145 21.575 27.472 13.962 1101 H HIS 146 H HIS 146 20.568 23.471 10.272 1102 HA HIS 146 HA HIS 146 20.615 21.263 12.221 1103 HB2 HIS 146 HB2 HIS 146 22.488 20.356 10.778 1104 HB3 HIS 146 3HB HIS 146 20.888 20.345 10.041 1105 HD1 HIS 146 HD1 HIS 146 24.128 22.295 9.946 1106 HD2 HIS 146 HD2 HIS 146 20.694 21.717 7.678 1107 HE1 HIS 146 HE1 HIS 146 24.561 23.460 7.760 1108 H HIS 147 H HIS 147 23.051 20.735 12.779 1109 HA HIS 147 HA HIS 147 24.863 22.917 12.936 1110 HB2 HIS 147 HB2 HIS 147 23.077 23.552 14.632 1111 HB3 HIS 147 3HB HIS 147 23.602 22.158 15.573 1112 HD1 HIS 147 HD1 HIS 147 25.027 22.924 17.429 1113 HD2 HIS 147 HD2 HIS 147 25.697 25.130 13.972 1114 HE1 HIS 147 HE1 HIS 147 26.854 24.551 18.013
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