NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
632307 | 5ynr | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 2.411 -0.295 1.360 2 HA MET 1 HA MET 1 4.031 1.065 0.315 3 HB2 MET 1 HB2 MET 1 6.072 0.208 -0.615 4 HB3 MET 1 HB3 MET 1 5.996 -0.268 1.074 5 HG2 MET 1 HG2 MET 1 5.365 -2.509 0.467 6 HG3 MET 1 HG3 MET 1 5.265 -2.054 -1.233 7 HE1 MET 1 HE1 MET 1 6.844 -3.969 -2.038 8 HE2 MET 1 HE2 MET 1 6.915 -4.572 -0.382 9 HE3 MET 1 HE3 MET 1 8.403 -4.336 -1.301 10 H THR 2 H THR 2 1.953 -1.340 -0.295 11 HA THR 2 HA THR 2 1.635 -0.619 -3.056 12 HB THR 2 HB THR 2 3.449 -2.315 -3.183 13 HG1 THR 2 HG1 THR 2 2.487 -3.477 -4.845 14 HG21 THR 2 HG21 THR 2 1.370 -4.203 -2.069 15 HG22 THR 2 HG22 THR 2 2.840 -3.676 -1.248 16 HG23 THR 2 HG23 THR 2 2.950 -4.665 -2.704 17 H SER 3 H SER 3 0.146 -0.693 -0.476 18 HA SER 3 HA SER 3 -1.923 -2.692 -1.051 19 HB2 SER 3 HB2 SER 3 -0.841 -2.568 1.233 20 HB3 SER 3 HB3 SER 3 -1.640 -1.011 1.443 21 HG SER 3 HG SER 3 -2.710 -3.591 1.410 22 H SER 4 H SER 4 -4.189 -1.819 -0.210 23 HA SER 4 HA SER 4 -4.744 0.504 -1.890 24 HB2 SER 4 HB2 SER 4 -6.650 -1.492 -0.642 25 HB3 SER 4 HB3 SER 4 -7.078 -0.238 -1.806 26 HG SER 4 HG SER 4 -5.096 -1.558 -2.887 27 H LEU 5 H LEU 5 -6.659 1.894 -1.069 28 HA LEU 5 HA LEU 5 -6.078 2.609 1.737 29 HB2 LEU 5 HB2 LEU 5 -5.118 4.041 -0.199 30 HB3 LEU 5 HB3 LEU 5 -6.764 4.599 -0.405 31 HG LEU 5 HG LEU 5 -5.214 4.889 2.173 32 HD11 LEU 5 HD11 LEU 5 -4.118 6.110 0.375 33 HD12 LEU 5 HD12 LEU 5 -4.903 7.220 1.498 34 HD13 LEU 5 HD13 LEU 5 -5.649 6.868 -0.061 35 HD21 LEU 5 HD21 LEU 5 -6.927 6.557 2.704 36 HD22 LEU 5 HD22 LEU 5 -7.644 4.966 2.444 37 HD23 LEU 5 HD23 LEU 5 -7.752 6.199 1.186 38 H THR 6 H THR 6 -7.801 2.602 3.004 39 HA THR 6 HA THR 6 -10.359 3.599 2.013 40 HB THR 6 HB THR 6 -11.530 1.748 3.306 41 HG1 THR 6 HG1 THR 6 -9.999 -0.236 3.204 42 HG21 THR 6 HG21 THR 6 -11.337 0.120 1.459 43 HG22 THR 6 HG22 THR 6 -9.933 1.004 0.854 44 HG23 THR 6 HG23 THR 6 -11.518 1.777 0.882 45 H ILE 7 H ILE 7 -11.861 4.077 3.919 46 HA ILE 7 HA ILE 7 -10.255 5.172 6.079 47 HB ILE 7 HB ILE 7 -12.234 6.305 6.861 48 HG12 ILE 7 HG12 ILE 7 -13.767 4.903 4.662 49 HG13 ILE 7 HG13 ILE 7 -13.841 4.457 6.363 50 HG21 ILE 7 HG21 ILE 7 -10.992 7.330 5.035 51 HG22 ILE 7 HG22 ILE 7 -12.711 7.709 4.921 52 HG23 ILE 7 HG23 ILE 7 -12.005 6.489 3.860 53 HD11 ILE 7 HD11 ILE 7 -15.749 5.814 5.717 54 HD12 ILE 7 HD12 ILE 7 -14.667 7.108 5.202 55 HD13 ILE 7 HD13 ILE 7 -14.750 6.652 6.904 56 H CYS 8 H CYS 8 -10.955 4.874 8.338 57 HA CYS 8 HA CYS 8 -11.502 2.013 8.723 58 HB2 CYS 8 HB2 CYS 8 -10.243 2.266 10.830 59 HB3 CYS 8 HB3 CYS 8 -9.283 2.738 9.428 60 HG CYS 8 HG CYS 8 -10.976 5.203 10.989 61 H SER 9 H SER 9 -12.853 1.315 10.370 62 HA SER 9 HA SER 9 -14.724 3.313 11.406 63 HB2 SER 9 HB2 SER 9 -15.998 1.248 12.149 64 HB3 SER 9 HB3 SER 9 -15.798 1.412 10.404 65 HG SER 9 HG SER 9 -13.992 -0.084 11.988 66 H ILE 10 H ILE 10 -15.017 3.615 13.643 67 HA ILE 10 HA ILE 10 -12.681 2.778 15.197 68 HB ILE 10 HB ILE 10 -14.718 4.916 15.865 69 HG12 ILE 10 HG12 ILE 10 -12.629 6.409 15.428 70 HG13 ILE 10 HG13 ILE 10 -12.039 5.037 14.499 71 HG21 ILE 10 HG21 ILE 10 -13.657 3.976 17.839 72 HG22 ILE 10 HG22 ILE 10 -13.095 5.623 17.555 73 HG23 ILE 10 HG23 ILE 10 -12.064 4.256 17.134 74 HD11 ILE 10 HD11 ILE 10 -14.006 5.167 13.061 75 HD12 ILE 10 HD12 ILE 10 -13.104 6.683 13.070 76 HD13 ILE 10 HD13 ILE 10 -14.599 6.541 13.996 77 HA PRO 11 HA PRO 11 -15.427 -0.154 17.288 78 HB2 PRO 11 HB2 PRO 11 -13.446 -1.093 18.934 79 HB3 PRO 11 HB3 PRO 11 -13.730 -1.689 17.295 80 HG2 PRO 11 HG2 PRO 11 -11.726 0.309 18.264 81 HG3 PRO 11 HG3 PRO 11 -11.520 -1.007 17.096 82 HD2 PRO 11 HD2 PRO 11 -11.836 1.540 16.305 83 HD3 PRO 11 HD3 PRO 11 -12.527 0.187 15.383 84 H ASP 12 H ASP 12 -16.460 -0.064 19.252 85 HA ASP 12 HA ASP 12 -16.499 2.426 20.545 86 HB2 ASP 12 HB2 ASP 12 -18.430 0.876 20.466 87 HB3 ASP 12 HB3 ASP 12 -17.593 -0.197 21.584 88 H GLY 13 H GLY 13 -14.855 -0.574 21.354 89 HA2 GLY 13 HA2 GLY 13 -14.165 -0.080 24.003 90 HA3 GLY 13 HA3 GLY 13 -13.200 -1.027 22.881 91 H VAL 14 H VAL 14 -12.153 0.647 21.140 92 HA VAL 14 HA VAL 14 -10.264 2.104 22.719 93 HB VAL 14 HB VAL 14 -9.133 2.638 20.648 94 HG11 VAL 14 HG11 VAL 14 -8.764 0.386 19.762 95 HG12 VAL 14 HG12 VAL 14 -10.188 -0.182 20.635 96 HG13 VAL 14 HG13 VAL 14 -8.785 0.414 21.525 97 HG21 VAL 14 HG21 VAL 14 -11.551 1.515 19.244 98 HG22 VAL 14 HG22 VAL 14 -10.052 2.029 18.469 99 HG23 VAL 14 HG23 VAL 14 -11.071 3.211 19.292 100 H LYS 15 H LYS 15 -13.084 2.886 20.848 101 HA LYS 15 HA LYS 15 -12.717 5.669 20.611 102 HB2 LYS 15 HB2 LYS 15 -14.356 4.903 19.202 103 HB3 LYS 15 HB3 LYS 15 -14.981 3.758 20.371 104 HG2 LYS 15 HG2 LYS 15 -15.405 6.651 20.893 105 HG3 LYS 15 HG3 LYS 15 -16.348 5.877 19.618 106 HD2 LYS 15 HD2 LYS 15 -16.913 4.086 21.333 107 HD3 LYS 15 HD3 LYS 15 -16.243 5.178 22.543 108 HE2 LYS 15 HE2 LYS 15 -17.867 6.882 21.923 109 HE3 LYS 15 HE3 LYS 15 -18.519 5.820 20.674 110 HZ1 LYS 15 HZ1 LYS 15 -19.925 5.630 22.547 111 HZ2 LYS 15 HZ2 LYS 15 -18.618 5.431 23.612 112 HZ3 LYS 15 HZ3 LYS 15 -19.004 4.201 22.505 113 H GLU 16 H GLU 16 -14.037 3.659 23.169 114 HA GLU 16 HA GLU 16 -15.205 5.690 24.706 115 HB2 GLU 16 HB2 GLU 16 -15.559 3.267 25.093 116 HB3 GLU 16 HB3 GLU 16 -13.910 3.143 25.696 117 HG2 GLU 16 HG2 GLU 16 -14.462 4.712 27.492 118 HG3 GLU 16 HG3 GLU 16 -16.118 4.798 26.896 119 H ASP 17 H ASP 17 -12.003 4.158 25.057 120 HA ASP 17 HA ASP 17 -11.106 5.967 27.030 121 HB2 ASP 17 HB2 ASP 17 -9.730 3.980 25.258 122 HB3 ASP 17 HB3 ASP 17 -8.773 5.113 26.210 123 H LEU 18 H LEU 18 -11.115 6.100 23.545 124 HA LEU 18 HA LEU 18 -9.301 8.227 23.196 125 HB2 LEU 18 HB2 LEU 18 -10.161 6.876 21.342 126 HB3 LEU 18 HB3 LEU 18 -11.772 7.511 21.610 127 HG LEU 18 HG LEU 18 -10.921 9.781 21.031 128 HD11 LEU 18 HD11 LEU 18 -8.769 9.976 19.898 129 HD12 LEU 18 HD12 LEU 18 -8.431 8.278 20.238 130 HD13 LEU 18 HD13 LEU 18 -8.568 9.433 21.564 131 HD21 LEU 18 HD21 LEU 18 -10.532 7.657 18.928 132 HD22 LEU 18 HD22 LEU 18 -10.817 9.372 18.630 133 HD23 LEU 18 HD23 LEU 18 -12.070 8.388 19.388 134 H LYS 19 H LYS 19 -12.691 8.089 24.063 135 HA LYS 19 HA LYS 19 -13.019 10.958 24.059 136 HB2 LYS 19 HB2 LYS 19 -14.793 9.068 23.634 137 HB3 LYS 19 HB3 LYS 19 -14.917 9.059 25.386 138 HG2 LYS 19 HG2 LYS 19 -16.177 10.881 25.385 139 HG3 LYS 19 HG3 LYS 19 -15.034 11.749 24.356 140 HD2 LYS 19 HD2 LYS 19 -17.160 9.820 23.423 141 HD3 LYS 19 HD3 LYS 19 -17.214 11.579 23.275 142 HE2 LYS 19 HE2 LYS 19 -15.260 11.538 21.835 143 HE3 LYS 19 HE3 LYS 19 -15.130 9.791 22.024 144 HZ1 LYS 19 HZ1 LYS 19 -16.175 10.193 19.971 145 HZ2 LYS 19 HZ2 LYS 19 -17.265 11.309 20.639 146 HZ3 LYS 19 HZ3 LYS 19 -17.400 9.662 21.015 147 H LYS 20 H LYS 20 -12.514 8.371 26.389 148 HA LYS 20 HA LYS 20 -12.910 9.886 28.732 149 HB2 LYS 20 HB2 LYS 20 -11.186 7.438 28.304 150 HB3 LYS 20 HB3 LYS 20 -11.626 8.098 29.872 151 HG2 LYS 20 HG2 LYS 20 -13.544 7.006 27.824 152 HG3 LYS 20 HG3 LYS 20 -12.992 6.169 29.275 153 HD2 LYS 20 HD2 LYS 20 -14.025 7.880 30.672 154 HD3 LYS 20 HD3 LYS 20 -14.539 8.761 29.232 155 HE2 LYS 20 HE2 LYS 20 -16.405 7.503 30.063 156 HE3 LYS 20 HE3 LYS 20 -15.862 6.771 28.555 157 HZ1 LYS 20 HZ1 LYS 20 -15.416 5.781 31.313 158 HZ2 LYS 20 HZ2 LYS 20 -14.578 5.169 29.978 159 HZ3 LYS 20 HZ3 LYS 20 -16.265 5.017 30.060 160 H PHE 21 H PHE 21 -10.169 9.571 26.590 161 HA PHE 21 HA PHE 21 -8.139 10.510 28.212 162 HB2 PHE 21 HB2 PHE 21 -7.870 9.553 25.924 163 HB3 PHE 21 HB3 PHE 21 -8.499 11.057 25.256 164 HD1 PHE 21 HD1 PHE 21 -6.461 11.280 28.206 165 HD2 PHE 21 HD2 PHE 21 -6.378 11.239 23.963 166 HE1 PHE 21 HE1 PHE 21 -4.231 12.218 28.251 167 HE2 PHE 21 HE2 PHE 21 -4.114 12.193 23.998 168 HZ PHE 21 HZ PHE 21 -3.029 12.688 26.151 169 H ARG 22 H ARG 22 -10.477 12.347 26.265 170 HA ARG 22 HA ARG 22 -9.277 14.852 27.033 171 HB2 ARG 22 HB2 ARG 22 -10.983 15.928 25.697 172 HB3 ARG 22 HB3 ARG 22 -10.284 14.591 24.798 173 HG2 ARG 22 HG2 ARG 22 -12.207 13.275 25.042 174 HG3 ARG 22 HG3 ARG 22 -12.842 14.291 26.338 175 HD2 ARG 22 HD2 ARG 22 -12.525 15.093 23.445 176 HD3 ARG 22 HD3 ARG 22 -14.041 14.673 24.243 177 HE ARG 22 HE ARG 22 -12.797 16.757 25.662 178 HH11 ARG 22 HH11 ARG 22 -14.498 16.163 22.663 179 HH12 ARG 22 HH12 ARG 22 -15.032 17.813 22.495 180 HH21 ARG 22 HH21 ARG 22 -13.476 18.929 25.436 181 HH22 ARG 22 HH22 ARG 22 -14.424 19.386 24.054 182 H PHE 23 H PHE 23 -11.961 12.878 28.110 183 HA PHE 23 HA PHE 23 -13.157 14.945 29.662 184 HB2 PHE 23 HB2 PHE 23 -14.535 13.243 28.680 185 HB3 PHE 23 HB3 PHE 23 -13.567 11.965 29.410 186 HD1 PHE 23 HD1 PHE 23 -14.340 10.979 31.308 187 HD2 PHE 23 HD2 PHE 23 -15.526 14.941 30.370 188 HE1 PHE 23 HE1 PHE 23 -15.791 11.002 33.274 189 HE2 PHE 23 HE2 PHE 23 -16.972 14.976 32.315 190 HZ PHE 23 HZ PHE 23 -17.131 13.008 33.800 191 H SER 24 H SER 24 -10.867 12.359 30.129 192 HA SER 24 HA SER 24 -10.572 13.145 32.942 193 HB2 SER 24 HB2 SER 24 -11.747 10.934 32.668 194 HB3 SER 24 HB3 SER 24 -10.297 10.320 31.882 195 HG SER 24 HG SER 24 -10.687 10.065 34.313 196 H LYS 25 H LYS 25 -8.918 14.514 32.241 197 HA LYS 25 HA LYS 25 -6.471 13.161 31.335 198 HB2 LYS 25 HB2 LYS 25 -5.914 15.645 30.601 199 HB3 LYS 25 HB3 LYS 25 -6.831 14.561 29.567 200 HG2 LYS 25 HG2 LYS 25 -8.351 16.172 29.447 201 HG3 LYS 25 HG3 LYS 25 -8.778 15.763 31.107 202 HD2 LYS 25 HD2 LYS 25 -6.577 17.714 30.506 203 HD3 LYS 25 HD3 LYS 25 -8.264 18.223 30.524 204 HE2 LYS 25 HE2 LYS 25 -6.809 16.894 32.807 205 HE3 LYS 25 HE3 LYS 25 -7.133 18.621 32.673 206 HZ1 LYS 25 HZ1 LYS 25 -8.800 17.737 34.059 207 HZ2 LYS 25 HZ2 LYS 25 -9.092 16.425 33.035 208 HZ3 LYS 25 HZ3 LYS 25 -9.559 17.984 32.560 209 H SER 26 H SER 26 -4.449 14.373 31.971 210 HA SER 26 HA SER 26 -4.597 14.846 34.844 211 HB2 SER 26 HB2 SER 26 -2.136 14.570 33.109 212 HB3 SER 26 HB3 SER 26 -2.235 14.401 34.862 213 HG SER 26 HG SER 26 -2.707 12.384 34.576 214 H THR 27 H THR 27 -2.814 16.494 35.623 215 HA THR 27 HA THR 27 -3.216 18.997 34.204 216 HB THR 27 HB THR 27 -1.765 19.861 36.175 217 HG1 THR 27 HG1 THR 27 -2.229 18.306 38.033 218 HG21 THR 27 HG21 THR 27 -3.744 19.950 37.624 219 HG22 THR 27 HG22 THR 27 -4.514 18.705 36.641 220 HG23 THR 27 HG23 THR 27 -4.155 20.284 35.941 221 H THR 28 H THR 28 -1.218 16.498 33.866 222 HA THR 28 HA THR 28 1.066 18.103 32.969 223 HB THR 28 HB THR 28 1.050 15.113 32.837 224 HG1 THR 28 HG1 THR 28 1.098 16.687 35.206 225 HG21 THR 28 HG21 THR 28 2.994 16.380 32.041 226 HG22 THR 28 HG22 THR 28 3.410 15.420 33.460 227 HG23 THR 28 HG23 THR 28 3.140 17.155 33.619 228 H MET 29 H MET 29 1.971 16.675 30.814 229 HA MET 29 HA MET 29 -0.322 16.811 28.995 230 HB2 MET 29 HB2 MET 29 1.181 17.138 27.196 231 HB3 MET 29 HB3 MET 29 1.789 18.136 28.505 232 HG2 MET 29 HG2 MET 29 3.496 16.505 29.005 233 HG3 MET 29 HG3 MET 29 2.845 15.425 27.778 234 HE1 MET 29 HE1 MET 29 4.905 18.658 28.521 235 HE2 MET 29 HE2 MET 29 3.467 19.337 27.757 236 HE3 MET 29 HE3 MET 29 5.021 19.404 26.928 237 H ASN 30 H ASN 30 -1.119 15.072 28.041 238 HA ASN 30 HA ASN 30 0.314 12.505 28.425 239 HB2 ASN 30 HB2 ASN 30 -2.689 12.921 28.430 240 HB3 ASN 30 HB3 ASN 30 -1.844 11.398 28.669 241 HD21 ASN 30 HD21 ASN 30 -3.742 12.516 30.423 242 HD22 ASN 30 HD22 ASN 30 -2.944 12.822 31.932 243 H ALA 31 H ALA 31 -0.445 10.844 26.800 244 HA ALA 31 HA ALA 31 -1.226 12.047 24.269 245 HB1 ALA 31 HB1 ALA 31 1.376 10.573 24.610 246 HB2 ALA 31 HB2 ALA 31 1.194 12.304 24.321 247 HB3 ALA 31 HB3 ALA 31 0.699 11.145 23.086 248 H LEU 32 H LEU 32 -2.401 10.767 23.078 249 HA LEU 32 HA LEU 32 -2.383 7.878 23.653 250 HB2 LEU 32 HB2 LEU 32 -4.528 9.407 23.948 251 HB3 LEU 32 HB3 LEU 32 -4.624 9.242 22.208 252 HG LEU 32 HG LEU 32 -4.671 6.955 24.184 253 HD11 LEU 32 HD11 LEU 32 -6.689 8.301 24.292 254 HD12 LEU 32 HD12 LEU 32 -7.019 6.741 23.537 255 HD13 LEU 32 HD13 LEU 32 -6.875 8.190 22.540 256 HD21 LEU 32 HD21 LEU 32 -3.691 6.315 22.031 257 HD22 LEU 32 HD22 LEU 32 -5.112 6.951 21.199 258 HD23 LEU 32 HD23 LEU 32 -5.266 5.566 22.281 259 H ILE 33 H ILE 33 -1.085 6.979 22.159 260 HA ILE 33 HA ILE 33 -1.076 8.013 19.429 261 HB ILE 33 HB ILE 33 0.461 5.672 20.583 262 HG12 ILE 33 HG12 ILE 33 1.281 8.547 20.125 263 HG13 ILE 33 HG13 ILE 33 1.150 7.722 21.674 264 HG21 ILE 33 HG21 ILE 33 0.745 7.146 17.964 265 HG22 ILE 33 HG22 ILE 33 0.184 5.489 18.186 266 HG23 ILE 33 HG23 ILE 33 1.855 5.910 18.561 267 HD11 ILE 33 HD11 ILE 33 3.463 7.961 20.986 268 HD12 ILE 33 HD12 ILE 33 3.123 7.082 19.496 269 HD13 ILE 33 HD13 ILE 33 2.997 6.262 21.052 270 H LEU 34 H LEU 34 -2.329 7.152 17.879 271 HA LEU 34 HA LEU 34 -3.462 4.503 18.405 272 HB2 LEU 34 HB2 LEU 34 -5.612 5.379 17.323 273 HB3 LEU 34 HB3 LEU 34 -5.284 5.771 18.996 274 HG LEU 34 HG LEU 34 -4.508 7.719 16.880 275 HD11 LEU 34 HD11 LEU 34 -7.284 7.359 18.012 276 HD12 LEU 34 HD12 LEU 34 -6.808 7.132 16.328 277 HD13 LEU 34 HD13 LEU 34 -6.747 8.738 17.053 278 HD21 LEU 34 HD21 LEU 34 -5.062 9.327 18.655 279 HD22 LEU 34 HD22 LEU 34 -3.828 8.171 19.159 280 HD23 LEU 34 HD23 LEU 34 -5.492 7.983 19.715 281 H LYS 35 H LYS 35 -4.762 3.799 16.340 282 HA LYS 35 HA LYS 35 -2.850 4.005 14.122 283 HB2 LYS 35 HB2 LYS 35 -1.977 2.205 15.263 284 HB3 LYS 35 HB3 LYS 35 -3.531 1.727 15.913 285 HG2 LYS 35 HG2 LYS 35 -3.086 0.021 14.465 286 HG3 LYS 35 HG3 LYS 35 -4.061 1.089 13.456 287 HD2 LYS 35 HD2 LYS 35 -2.159 1.906 12.320 288 HD3 LYS 35 HD3 LYS 35 -1.057 1.189 13.500 289 HE2 LYS 35 HE2 LYS 35 -2.001 -1.047 12.809 290 HE3 LYS 35 HE3 LYS 35 -2.764 -0.208 11.461 291 HZ1 LYS 35 HZ1 LYS 35 -0.578 0.532 10.743 292 HZ2 LYS 35 HZ2 LYS 35 -0.663 -1.163 10.797 293 HZ3 LYS 35 HZ3 LYS 35 0.148 -0.311 12.024 294 H ILE 36 H ILE 36 -3.887 4.170 12.223 295 HA ILE 36 HA ILE 36 -6.585 3.045 11.912 296 HB ILE 36 HB ILE 36 -4.947 4.784 10.045 297 HG12 ILE 36 HG12 ILE 36 -7.555 5.519 11.347 298 HG13 ILE 36 HG13 ILE 36 -6.027 5.780 12.173 299 HG21 ILE 36 HG21 ILE 36 -6.344 3.243 8.783 300 HG22 ILE 36 HG22 ILE 36 -6.972 4.886 8.654 301 HG23 ILE 36 HG23 ILE 36 -7.756 3.724 9.725 302 HD11 ILE 36 HD11 ILE 36 -5.272 7.215 10.385 303 HD12 ILE 36 HD12 ILE 36 -6.813 7.780 11.032 304 HD13 ILE 36 HD13 ILE 36 -6.765 6.915 9.496 305 H ASP 37 H ASP 37 -6.370 0.876 11.547 306 HA ASP 37 HA ASP 37 -4.316 0.077 9.611 307 HB2 ASP 37 HB2 ASP 37 -4.249 -1.124 11.753 308 HB3 ASP 37 HB3 ASP 37 -5.911 -1.656 11.507 309 H ARG 38 H ARG 38 -4.822 -0.863 7.728 310 HA ARG 38 HA ARG 38 -7.586 -0.651 6.855 311 HB2 ARG 38 HB2 ARG 38 -6.752 -0.797 4.653 312 HB3 ARG 38 HB3 ARG 38 -5.522 0.117 5.518 313 HG2 ARG 38 HG2 ARG 38 -4.677 -2.454 5.860 314 HG3 ARG 38 HG3 ARG 38 -5.369 -2.498 4.240 315 HD2 ARG 38 HD2 ARG 38 -3.965 -0.609 3.592 316 HD3 ARG 38 HD3 ARG 38 -3.271 -0.563 5.215 317 HE ARG 38 HE ARG 38 -2.643 -2.401 3.098 318 HH11 ARG 38 HH11 ARG 38 -2.591 -1.929 6.581 319 HH12 ARG 38 HH12 ARG 38 -1.442 -3.199 6.857 320 HH21 ARG 38 HH21 ARG 38 -1.131 -4.061 3.481 321 HH22 ARG 38 HH22 ARG 38 -0.587 -4.378 5.099 322 H GLU 39 H GLU 39 -5.378 -2.990 7.979 323 HA GLU 39 HA GLU 39 -6.493 -5.247 6.590 324 HB2 GLU 39 HB2 GLU 39 -4.082 -4.900 7.491 325 HB3 GLU 39 HB3 GLU 39 -4.753 -5.395 9.037 326 HG2 GLU 39 HG2 GLU 39 -5.288 -7.546 8.224 327 HG3 GLU 39 HG3 GLU 39 -4.989 -7.063 6.552 328 H SER 40 H SER 40 -6.638 -3.926 9.895 329 HA SER 40 HA SER 40 -8.858 -5.645 10.581 330 HB2 SER 40 HB2 SER 40 -8.999 -4.198 12.610 331 HB3 SER 40 HB3 SER 40 -7.390 -4.862 12.365 332 HG SER 40 HG SER 40 -7.393 -2.610 12.881 333 H HIS 41 H HIS 41 -8.289 -2.553 9.189 334 HA HIS 41 HA HIS 41 -9.581 -0.980 8.212 335 HB2 HIS 41 HB2 HIS 41 -10.702 -2.961 7.192 336 HB3 HIS 41 HB3 HIS 41 -11.870 -2.943 8.504 337 HD1 HIS 41 HD1 HIS 41 -13.929 -1.600 8.091 338 HD2 HIS 41 HD2 HIS 41 -10.796 -0.502 5.578 339 HE1 HIS 41 HE1 HIS 41 -14.911 0.031 6.448 340 HE2 HIS 41 HE2 HIS 41 -12.961 0.829 5.070 341 H GLU 42 H GLU 42 -9.300 -1.434 11.155 342 HA GLU 42 HA GLU 42 -11.405 0.415 11.944 343 HB2 GLU 42 HB2 GLU 42 -11.512 -0.659 14.173 344 HB3 GLU 42 HB3 GLU 42 -12.121 -1.664 12.869 345 HG2 GLU 42 HG2 GLU 42 -9.911 -2.835 12.867 346 HG3 GLU 42 HG3 GLU 42 -9.503 -1.924 14.321 347 H LEU 43 H LEU 43 -10.906 1.865 13.579 348 HA LEU 43 HA LEU 43 -8.055 2.481 13.728 349 HB2 LEU 43 HB2 LEU 43 -9.650 4.232 13.004 350 HB3 LEU 43 HB3 LEU 43 -10.488 4.096 14.534 351 HG LEU 43 HG LEU 43 -7.586 4.861 14.491 352 HD11 LEU 43 HD11 LEU 43 -8.257 7.216 14.379 353 HD12 LEU 43 HD12 LEU 43 -9.923 6.723 14.072 354 HD13 LEU 43 HD13 LEU 43 -8.662 6.353 12.895 355 HD21 LEU 43 HD21 LEU 43 -9.895 5.531 16.320 356 HD22 LEU 43 HD22 LEU 43 -8.229 6.068 16.528 357 HD23 LEU 43 HD23 LEU 43 -8.623 4.353 16.643 358 H GLN 44 H GLN 44 -6.954 1.867 15.437 359 HA GLN 44 HA GLN 44 -8.392 1.333 17.946 360 HB2 GLN 44 HB2 GLN 44 -6.631 -0.594 18.110 361 HB3 GLN 44 HB3 GLN 44 -8.075 -0.827 17.129 362 HG2 GLN 44 HG2 GLN 44 -6.732 -0.076 15.156 363 HG3 GLN 44 HG3 GLN 44 -5.306 -0.143 16.181 364 HE21 GLN 44 HE21 GLN 44 -4.504 -2.130 16.836 365 HE22 GLN 44 HE22 GLN 44 -5.001 -3.613 16.088 366 H SER 45 H SER 45 -7.031 1.459 19.844 367 HA SER 45 HA SER 45 -5.131 3.593 19.618 368 HB2 SER 45 HB2 SER 45 -4.941 3.224 22.132 369 HB3 SER 45 HB3 SER 45 -6.547 3.645 21.534 370 HG SER 45 HG SER 45 -5.607 1.271 22.637 371 H GLU 46 H GLU 46 -2.978 3.431 19.454 372 HA GLU 46 HA GLU 46 -1.728 0.850 19.469 373 HB2 GLU 46 HB2 GLU 46 -0.640 3.646 19.141 374 HB3 GLU 46 HB3 GLU 46 0.409 2.238 19.222 375 HG2 GLU 46 HG2 GLU 46 -1.807 2.531 17.215 376 HG3 GLU 46 HG3 GLU 46 -0.152 3.062 16.922 377 H GLN 47 H GLN 47 -1.637 3.786 21.482 378 HA GLN 47 HA GLN 47 -1.650 2.359 23.900 379 HB2 GLN 47 HB2 GLN 47 0.593 2.714 24.769 380 HB3 GLN 47 HB3 GLN 47 0.657 1.724 23.318 381 HG2 GLN 47 HG2 GLN 47 1.474 3.540 22.022 382 HG3 GLN 47 HG3 GLN 47 1.180 4.683 23.334 383 HE21 GLN 47 HE21 GLN 47 2.544 4.687 25.114 384 HE22 GLN 47 HE22 GLN 47 4.096 3.929 25.093 385 H LEU 48 H LEU 48 -1.598 3.711 25.765 386 HA LEU 48 HA LEU 48 -1.602 6.609 25.202 387 HB2 LEU 48 HB2 LEU 48 -3.899 5.634 25.538 388 HB3 LEU 48 HB3 LEU 48 -3.415 5.170 27.153 389 HG LEU 48 HG LEU 48 -3.350 8.053 26.280 390 HD11 LEU 48 HD11 LEU 48 -5.602 7.223 25.852 391 HD12 LEU 48 HD12 LEU 48 -5.583 8.303 27.245 392 HD13 LEU 48 HD13 LEU 48 -5.677 6.557 27.484 393 HD21 LEU 48 HD21 LEU 48 -2.186 7.486 28.360 394 HD22 LEU 48 HD22 LEU 48 -3.656 6.732 28.979 395 HD23 LEU 48 HD23 LEU 48 -3.617 8.469 28.675 396 H LEU 49 H LEU 49 -0.359 7.817 26.555 397 HA LEU 49 HA LEU 49 0.515 6.615 29.075 398 HB2 LEU 49 HB2 LEU 49 2.811 7.146 28.755 399 HB3 LEU 49 HB3 LEU 49 2.277 6.208 27.387 400 HG LEU 49 HG LEU 49 2.536 9.204 27.282 401 HD11 LEU 49 HD11 LEU 49 4.686 8.835 26.189 402 HD12 LEU 49 HD12 LEU 49 4.546 7.102 26.484 403 HD13 LEU 49 HD13 LEU 49 4.700 8.218 27.841 404 HD21 LEU 49 HD21 LEU 49 2.413 7.086 25.133 405 HD22 LEU 49 HD22 LEU 49 2.623 8.818 24.866 406 HD23 LEU 49 HD23 LEU 49 1.119 8.207 25.558 407 H ASN 50 H ASN 50 1.137 8.089 30.672 408 HA ASN 50 HA ASN 50 0.275 10.853 30.151 409 HB2 ASN 50 HB2 ASN 50 -0.860 10.878 32.330 410 HB3 ASN 50 HB3 ASN 50 -1.550 9.658 31.272 411 HD21 ASN 50 HD21 ASN 50 0.309 10.233 34.157 412 HD22 ASN 50 HD22 ASN 50 0.260 8.606 34.753 413 H ASP 51 H ASP 51 1.094 12.430 31.666 414 HA ASP 51 HA ASP 51 2.468 13.358 33.228 415 HB2 ASP 51 HB2 ASP 51 1.851 11.290 34.547 416 HB3 ASP 51 HB3 ASP 51 3.350 10.567 33.979 417 H CYS 52 H CYS 52 3.414 11.774 30.573 418 HA CYS 52 HA CYS 52 6.285 12.227 30.944 419 HB2 CYS 52 HB2 CYS 52 4.833 10.922 28.629 420 HB3 CYS 52 HB3 CYS 52 6.575 10.948 28.891 421 HG CYS 52 HG CYS 52 4.463 9.480 31.138 422 H SER 53 H SER 53 7.239 12.991 28.586 423 HA SER 53 HA SER 53 5.645 15.370 27.886 424 HB2 SER 53 HB2 SER 53 7.752 16.595 27.537 425 HB3 SER 53 HB3 SER 53 7.587 16.033 29.198 426 HG SER 53 HG SER 53 8.877 14.118 28.301 427 H ILE 54 H ILE 54 6.728 16.370 25.775 428 HA ILE 54 HA ILE 54 5.730 14.788 23.727 429 HB ILE 54 HB ILE 54 5.800 17.173 23.516 430 HG12 ILE 54 HG12 ILE 54 7.630 15.936 21.442 431 HG13 ILE 54 HG13 ILE 54 5.876 15.846 21.429 432 HG21 ILE 54 HG21 ILE 54 8.804 16.925 23.501 433 HG22 ILE 54 HG22 ILE 54 7.811 17.643 24.771 434 HG23 ILE 54 HG23 ILE 54 7.897 18.404 23.182 435 HD11 ILE 54 HD11 ILE 54 7.502 18.361 21.209 436 HD12 ILE 54 HD12 ILE 54 5.740 18.261 21.192 437 HD13 ILE 54 HD13 ILE 54 6.677 17.529 19.889 438 H GLU 55 H GLU 55 9.066 15.105 24.845 439 HA GLU 55 HA GLU 55 10.306 13.963 22.591 440 HB2 GLU 55 HB2 GLU 55 11.211 13.963 25.471 441 HB3 GLU 55 HB3 GLU 55 12.216 13.516 24.101 442 HG2 GLU 55 HG2 GLU 55 11.838 15.814 23.189 443 HG3 GLU 55 HG3 GLU 55 11.055 16.217 24.717 444 H GLU 56 H GLU 56 8.951 12.516 25.511 445 HA GLU 56 HA GLU 56 9.895 9.907 24.951 446 HB2 GLU 56 HB2 GLU 56 7.594 10.828 26.672 447 HB3 GLU 56 HB3 GLU 56 8.164 9.167 26.592 448 HG2 GLU 56 HG2 GLU 56 9.216 9.963 28.467 449 HG3 GLU 56 HG3 GLU 56 10.452 10.166 27.233 450 H PHE 57 H PHE 57 6.863 11.595 24.194 451 HA PHE 57 HA PHE 57 5.356 9.396 23.417 452 HB2 PHE 57 HB2 PHE 57 5.237 12.173 22.227 453 HB3 PHE 57 HB3 PHE 57 3.955 10.969 22.195 454 HD1 PHE 57 HD1 PHE 57 4.407 10.038 25.104 455 HD2 PHE 57 HD2 PHE 57 3.976 13.869 23.310 456 HE1 PHE 57 HE1 PHE 57 3.516 10.922 27.218 457 HE2 PHE 57 HE2 PHE 57 3.092 14.761 25.425 458 HZ PHE 57 HZ PHE 57 2.862 13.288 27.383 459 H LYS 58 H LYS 58 7.775 11.202 21.620 460 HA LYS 58 HA LYS 58 7.202 9.731 19.187 461 HB2 LYS 58 HB2 LYS 58 9.038 11.108 18.210 462 HB3 LYS 58 HB3 LYS 58 7.719 12.045 18.883 463 HG2 LYS 58 HG2 LYS 58 9.505 13.226 19.657 464 HG3 LYS 58 HG3 LYS 58 9.261 12.117 21.001 465 HD2 LYS 58 HD2 LYS 58 11.047 10.692 20.196 466 HD3 LYS 58 HD3 LYS 58 11.246 11.704 18.762 467 HE2 LYS 58 HE2 LYS 58 11.967 13.564 20.111 468 HE3 LYS 58 HE3 LYS 58 11.607 12.682 21.593 469 HZ1 LYS 58 HZ1 LYS 58 13.366 11.122 21.063 470 HZ2 LYS 58 HZ2 LYS 58 13.977 12.699 21.098 471 HZ3 LYS 58 HZ3 LYS 58 13.695 11.929 19.611 472 H GLU 59 H GLU 59 9.382 9.483 21.877 473 HA GLU 59 HA GLU 59 11.328 8.014 20.264 474 HB2 GLU 59 HB2 GLU 59 12.043 9.856 21.803 475 HB3 GLU 59 HB3 GLU 59 11.566 8.835 23.153 476 HG2 GLU 59 HG2 GLU 59 13.250 7.254 22.682 477 HG3 GLU 59 HG3 GLU 59 13.574 7.961 21.099 478 H GLU 60 H GLU 60 8.945 7.470 22.739 479 HA GLU 60 HA GLU 60 9.914 5.236 24.036 480 HB2 GLU 60 HB2 GLU 60 7.080 5.991 23.354 481 HB3 GLU 60 HB3 GLU 60 7.470 4.594 24.345 482 HG2 GLU 60 HG2 GLU 60 8.154 7.457 24.966 483 HG3 GLU 60 HG3 GLU 60 6.875 6.499 25.713 484 H LEU 61 H LEU 61 8.159 5.313 20.946 485 HA LEU 61 HA LEU 61 9.007 2.546 20.537 486 HB2 LEU 61 HB2 LEU 61 6.836 1.817 19.779 487 HB3 LEU 61 HB3 LEU 61 6.728 2.407 21.422 488 HG LEU 61 HG LEU 61 5.934 4.085 19.047 489 HD11 LEU 61 HD11 LEU 61 3.626 3.440 19.528 490 HD12 LEU 61 HD12 LEU 61 4.197 2.298 20.744 491 HD13 LEU 61 HD13 LEU 61 4.596 2.049 19.044 492 HD21 LEU 61 HD21 LEU 61 5.225 4.251 21.974 493 HD22 LEU 61 HD22 LEU 61 4.658 5.335 20.703 494 HD23 LEU 61 HD23 LEU 61 6.368 5.296 21.131 495 HA PRO 62 HA PRO 62 9.953 4.224 16.495 496 HB2 PRO 62 HB2 PRO 62 10.532 1.425 15.822 497 HB3 PRO 62 HB3 PRO 62 11.617 2.818 15.830 498 HG2 PRO 62 HG2 PRO 62 11.804 0.850 17.660 499 HG3 PRO 62 HG3 PRO 62 12.175 2.540 18.047 500 HD2 PRO 62 HD2 PRO 62 9.701 0.959 18.644 501 HD3 PRO 62 HD3 PRO 62 10.574 2.116 19.673 502 H SER 63 H SER 63 8.420 4.614 15.035 503 HA SER 63 HA SER 63 6.059 2.984 15.010 504 HB2 SER 63 HB2 SER 63 5.238 4.770 13.427 505 HB3 SER 63 HB3 SER 63 5.740 5.346 15.017 506 HG SER 63 HG SER 63 6.525 6.451 12.970 507 H GLN 64 H GLN 64 8.680 3.715 12.772 508 HA GLN 64 HA GLN 64 9.066 3.243 10.582 509 HB2 GLN 64 HB2 GLN 64 9.249 0.921 10.038 510 HB3 GLN 64 HB3 GLN 64 9.717 1.126 11.714 511 HG2 GLN 64 HG2 GLN 64 6.900 0.446 11.326 512 HG3 GLN 64 HG3 GLN 64 8.033 -0.780 10.763 513 HE21 GLN 64 HE21 GLN 64 10.059 -0.129 12.727 514 HE22 GLN 64 HE22 GLN 64 9.475 -0.728 14.246 515 H GLN 65 H GLN 65 6.414 4.208 11.191 516 HA GLN 65 HA GLN 65 5.018 3.709 8.761 517 HB2 GLN 65 HB2 GLN 65 4.177 2.314 11.283 518 HB3 GLN 65 HB3 GLN 65 2.932 2.928 10.208 519 HG2 GLN 65 HG2 GLN 65 3.312 1.358 8.639 520 HG3 GLN 65 HG3 GLN 65 5.046 1.309 8.950 521 HE21 GLN 65 HE21 GLN 65 2.777 0.996 11.551 522 HE22 GLN 65 HE22 GLN 65 3.048 -0.684 11.856 523 HA PRO 66 HA PRO 66 3.325 7.618 10.061 524 HB2 PRO 66 HB2 PRO 66 0.767 6.947 8.772 525 HB3 PRO 66 HB3 PRO 66 1.923 8.220 8.368 526 HG2 PRO 66 HG2 PRO 66 1.581 6.056 6.804 527 HG3 PRO 66 HG3 PRO 66 3.160 6.842 6.990 528 HD2 PRO 66 HD2 PRO 66 2.119 4.347 8.281 529 HD3 PRO 66 HD3 PRO 66 3.731 4.680 7.608 530 H ARG 67 H ARG 67 3.195 7.117 12.278 531 HA ARG 67 HA ARG 67 0.576 6.186 13.231 532 HB2 ARG 67 HB2 ARG 67 3.316 6.205 14.391 533 HB3 ARG 67 HB3 ARG 67 1.976 6.412 15.500 534 HG2 ARG 67 HG2 ARG 67 1.012 4.301 14.724 535 HG3 ARG 67 HG3 ARG 67 2.381 4.092 13.627 536 HD2 ARG 67 HD2 ARG 67 3.915 3.955 15.462 537 HD3 ARG 67 HD3 ARG 67 2.658 4.408 16.611 538 HE ARG 67 HE ARG 67 1.594 2.188 15.743 539 HH11 ARG 67 HH11 ARG 67 5.002 2.775 16.337 540 HH12 ARG 67 HH12 ARG 67 5.335 1.134 16.780 541 HH21 ARG 67 HH21 ARG 67 2.018 0.059 16.369 542 HH22 ARG 67 HH22 ARG 67 3.634 -0.415 16.818 543 H PHE 68 H PHE 68 -0.607 7.480 14.724 544 HA PHE 68 HA PHE 68 0.355 10.248 14.791 545 HB2 PHE 68 HB2 PHE 68 -2.091 10.942 14.751 546 HB3 PHE 68 HB3 PHE 68 -1.381 10.394 13.244 547 HD1 PHE 68 HD1 PHE 68 -1.718 7.745 12.850 548 HD2 PHE 68 HD2 PHE 68 -4.191 10.256 15.232 549 HE1 PHE 68 HE1 PHE 68 -3.592 6.187 12.537 550 HE2 PHE 68 HE2 PHE 68 -6.063 8.692 14.933 551 HZ PHE 68 HZ PHE 68 -5.767 6.657 13.588 552 H ILE 69 H ILE 69 0.449 11.212 16.611 553 HA ILE 69 HA ILE 69 -0.576 9.792 18.969 554 HB ILE 69 HB ILE 69 1.790 9.730 19.019 555 HG12 ILE 69 HG12 ILE 69 0.446 10.763 21.085 556 HG13 ILE 69 HG13 ILE 69 2.190 10.537 21.118 557 HG21 ILE 69 HG21 ILE 69 1.793 12.672 18.384 558 HG22 ILE 69 HG22 ILE 69 2.288 11.357 17.318 559 HG23 ILE 69 HG23 ILE 69 3.222 11.716 18.771 560 HD11 ILE 69 HD11 ILE 69 1.529 12.715 21.999 561 HD12 ILE 69 HD12 ILE 69 0.769 13.108 20.455 562 HD13 ILE 69 HD13 ILE 69 2.515 12.878 20.545 563 H LEU 70 H LEU 70 -2.148 10.748 20.006 564 HA LEU 70 HA LEU 70 -2.680 13.575 19.542 565 HB2 LEU 70 HB2 LEU 70 -4.461 11.798 19.347 566 HB3 LEU 70 HB3 LEU 70 -4.332 11.568 21.078 567 HG LEU 70 HG LEU 70 -4.954 14.294 20.009 568 HD11 LEU 70 HD11 LEU 70 -7.338 13.753 20.087 569 HD12 LEU 70 HD12 LEU 70 -6.944 12.059 20.386 570 HD13 LEU 70 HD13 LEU 70 -6.500 12.812 18.853 571 HD21 LEU 70 HD21 LEU 70 -5.746 12.794 22.503 572 HD22 LEU 70 HD22 LEU 70 -6.186 14.458 22.117 573 HD23 LEU 70 HD23 LEU 70 -4.495 14.033 22.388 574 H LEU 71 H LEU 71 -1.537 14.863 20.780 575 HA LEU 71 HA LEU 71 -0.960 14.120 23.561 576 HB2 LEU 71 HB2 LEU 71 0.951 14.709 22.128 577 HB3 LEU 71 HB3 LEU 71 0.211 16.253 21.761 578 HG LEU 71 HG LEU 71 1.046 15.512 24.564 579 HD11 LEU 71 HD11 LEU 71 2.661 16.912 22.436 580 HD12 LEU 71 HD12 LEU 71 2.986 15.309 23.097 581 HD13 LEU 71 HD13 LEU 71 3.118 16.734 24.130 582 HD21 LEU 71 HD21 LEU 71 -0.474 17.432 24.331 583 HD22 LEU 71 HD22 LEU 71 0.651 18.176 23.195 584 HD23 LEU 71 HD23 LEU 71 1.128 17.930 24.875 585 H SER 72 H SER 72 -2.080 15.069 25.164 586 HA SER 72 HA SER 72 -3.597 17.502 24.514 587 HB2 SER 72 HB2 SER 72 -4.962 15.581 25.283 588 HB3 SER 72 HB3 SER 72 -4.033 15.531 26.780 589 HG SER 72 HG SER 72 -4.840 17.566 27.301 590 H TRP 73 H TRP 73 -2.684 19.284 25.187 591 HA TRP 73 HA TRP 73 -0.871 19.160 27.498 592 HB2 TRP 73 HB2 TRP 73 0.347 19.788 25.548 593 HB3 TRP 73 HB3 TRP 73 -0.902 20.914 25.046 594 HD1 TRP 73 HD1 TRP 73 -0.109 23.311 25.303 595 HE1 TRP 73 HE1 TRP 73 1.365 24.615 26.959 596 HE3 TRP 73 HE3 TRP 73 1.146 19.496 28.472 597 HZ2 TRP 73 HZ2 TRP 73 2.855 24.106 29.291 598 HZ3 TRP 73 HZ3 TRP 73 2.601 19.994 30.394 599 HH2 TRP 73 HH2 TRP 73 3.437 22.253 30.792 600 H CYS 74 H CYS 74 -1.410 20.220 29.261 601 HA CYS 74 HA CYS 74 -3.795 21.734 29.488 602 HB2 CYS 74 HB2 CYS 74 -2.769 22.389 31.742 603 HB3 CYS 74 HB3 CYS 74 -3.025 20.669 31.457 604 HG CYS 74 HG CYS 74 -0.073 22.378 31.453 605 H LYS 75 H LYS 75 -3.956 23.500 28.235 606 HA LYS 75 HA LYS 75 -1.839 25.523 28.419 607 HB2 LYS 75 HB2 LYS 75 -1.652 24.338 26.302 608 HB3 LYS 75 HB3 LYS 75 -3.359 24.571 25.981 609 HG2 LYS 75 HG2 LYS 75 -1.570 26.937 26.292 610 HG3 LYS 75 HG3 LYS 75 -1.598 26.033 24.777 611 HD2 LYS 75 HD2 LYS 75 -4.120 26.310 24.835 612 HD3 LYS 75 HD3 LYS 75 -3.858 27.482 26.127 613 HE2 LYS 75 HE2 LYS 75 -4.021 28.695 24.115 614 HE3 LYS 75 HE3 LYS 75 -2.321 28.696 24.575 615 HZ1 LYS 75 HZ1 LYS 75 -2.539 28.266 22.224 616 HZ2 LYS 75 HZ2 LYS 75 -3.587 26.969 22.513 617 HZ3 LYS 75 HZ3 LYS 75 -1.969 26.870 22.992 618 H LYS 76 H LYS 76 -2.642 27.240 29.391 619 HA LYS 76 HA LYS 76 -5.492 27.752 29.421 620 HB2 LYS 76 HB2 LYS 76 -4.192 27.992 31.480 621 HB3 LYS 76 HB3 LYS 76 -3.181 29.206 30.719 622 HG2 LYS 76 HG2 LYS 76 -5.057 30.720 30.556 623 HG3 LYS 76 HG3 LYS 76 -6.132 29.489 31.224 624 HD2 LYS 76 HD2 LYS 76 -3.749 30.668 32.649 625 HD3 LYS 76 HD3 LYS 76 -5.426 31.157 32.907 626 HE2 LYS 76 HE2 LYS 76 -5.984 28.921 33.668 627 HE3 LYS 76 HE3 LYS 76 -4.344 28.373 33.327 628 HZ1 LYS 76 HZ1 LYS 76 -5.046 30.474 35.308 629 HZ2 LYS 76 HZ2 LYS 76 -3.506 29.816 35.034 630 HZ3 LYS 76 HZ3 LYS 76 -4.735 28.850 35.688 631 H HIS 77 H HIS 77 -6.505 29.537 28.520 632 HA HIS 77 HA HIS 77 -4.850 31.095 26.648 633 HB2 HIS 77 HB2 HIS 77 -6.734 29.459 25.788 634 HB3 HIS 77 HB3 HIS 77 -7.804 30.779 26.245 635 HD1 HIS 77 HD1 HIS 77 -8.351 32.196 24.293 636 HD2 HIS 77 HD2 HIS 77 -4.485 30.675 24.054 637 HE1 HIS 77 HE1 HIS 77 -7.396 33.096 22.143 638 HE2 HIS 77 HE2 HIS 77 -5.020 32.245 22.064 639 H SER 78 H SER 78 -6.424 33.170 26.039 640 HA SER 78 HA SER 78 -5.949 34.859 28.208 641 HB2 SER 78 HB2 SER 78 -7.817 35.559 25.963 642 HB3 SER 78 HB3 SER 78 -6.631 36.580 26.782 643 HG SER 78 HG SER 78 -4.982 35.352 25.790 644 H ASP 79 H ASP 79 -8.736 32.952 27.499 645 HA ASP 79 HA ASP 79 -10.615 34.679 28.838 646 HB2 ASP 79 HB2 ASP 79 -11.142 33.131 26.906 647 HB3 ASP 79 HB3 ASP 79 -11.039 31.801 28.052 648 H GLU 80 H GLU 80 -8.219 33.343 30.225 649 HA GLU 80 HA GLU 80 -7.751 33.148 32.431 650 HB2 GLU 80 HB2 GLU 80 -10.721 33.484 32.772 651 HB3 GLU 80 HB3 GLU 80 -9.611 33.297 34.120 652 HG2 GLU 80 HG2 GLU 80 -8.418 35.327 33.344 653 HG3 GLU 80 HG3 GLU 80 -9.664 35.533 32.111 654 H ARG 81 H ARG 81 -9.231 30.804 30.687 655 HA ARG 81 HA ARG 81 -9.327 29.023 33.015 656 HB2 ARG 81 HB2 ARG 81 -11.115 27.846 32.174 657 HB3 ARG 81 HB3 ARG 81 -11.490 29.455 31.584 658 HG2 ARG 81 HG2 ARG 81 -10.044 27.418 29.915 659 HG3 ARG 81 HG3 ARG 81 -11.801 27.533 29.970 660 HD2 ARG 81 HD2 ARG 81 -11.791 29.682 29.008 661 HD3 ARG 81 HD3 ARG 81 -10.063 29.888 29.298 662 HE ARG 81 HE ARG 81 -9.924 27.880 27.650 663 HH11 ARG 81 HH11 ARG 81 -12.273 30.470 27.469 664 HH12 ARG 81 HH12 ARG 81 -12.297 30.496 25.732 665 HH21 ARG 81 HH21 ARG 81 -9.973 27.891 25.377 666 HH22 ARG 81 HH22 ARG 81 -10.977 29.042 24.546 667 H ILE 82 H ILE 82 -8.140 27.203 33.014 668 HA ILE 82 HA ILE 82 -6.179 26.973 30.916 669 HB ILE 82 HB ILE 82 -5.481 26.577 33.223 670 HG12 ILE 82 HG12 ILE 82 -5.334 24.105 31.499 671 HG13 ILE 82 HG13 ILE 82 -4.297 25.521 31.354 672 HG21 ILE 82 HG21 ILE 82 -7.261 24.145 33.151 673 HG22 ILE 82 HG22 ILE 82 -7.543 25.602 34.103 674 HG23 ILE 82 HG23 ILE 82 -6.147 24.582 34.448 675 HD11 ILE 82 HD11 ILE 82 -4.447 23.690 33.744 676 HD12 ILE 82 HD12 ILE 82 -3.384 25.086 33.566 677 HD13 ILE 82 HD13 ILE 82 -3.184 23.686 32.513 678 H SER 83 H SER 83 -6.465 25.895 29.128 679 HA SER 83 HA SER 83 -8.800 24.137 28.970 680 HB2 SER 83 HB2 SER 83 -7.265 25.418 26.701 681 HB3 SER 83 HB3 SER 83 -8.862 24.670 26.628 682 HG SER 83 HG SER 83 -8.508 26.740 28.455 683 H TYR 84 H TYR 84 -8.550 22.379 27.258 684 HA TYR 84 HA TYR 84 -5.870 21.199 27.447 685 HB2 TYR 84 HB2 TYR 84 -7.011 18.953 27.410 686 HB3 TYR 84 HB3 TYR 84 -7.271 19.888 28.875 687 HD1 TYR 84 HD1 TYR 84 -9.496 21.266 28.963 688 HD2 TYR 84 HD2 TYR 84 -8.822 18.010 26.310 689 HE1 TYR 84 HE1 TYR 84 -11.922 20.986 28.698 690 HE2 TYR 84 HE2 TYR 84 -11.247 17.725 26.038 691 HH TYR 84 HH TYR 84 -13.344 18.283 27.469 692 HA PRO 85 HA PRO 85 -6.944 21.608 22.959 693 HB2 PRO 85 HB2 PRO 85 -4.270 22.759 22.749 694 HB3 PRO 85 HB3 PRO 85 -5.814 23.445 22.237 695 HG2 PRO 85 HG2 PRO 85 -4.407 24.441 24.316 696 HG3 PRO 85 HG3 PRO 85 -6.180 24.469 24.268 697 HD2 PRO 85 HD2 PRO 85 -4.351 22.572 25.701 698 HD3 PRO 85 HD3 PRO 85 -5.845 23.344 26.278 699 H MET 86 H MET 86 -6.752 19.448 22.562 700 HA MET 86 HA MET 86 -4.061 18.313 22.631 701 HB2 MET 86 HB2 MET 86 -5.579 16.169 22.056 702 HB3 MET 86 HB3 MET 86 -5.196 16.686 23.689 703 HG2 MET 86 HG2 MET 86 -7.508 16.155 23.566 704 HG3 MET 86 HG3 MET 86 -7.335 17.893 23.774 705 HE1 MET 86 HE1 MET 86 -10.603 17.286 21.586 706 HE2 MET 86 HE2 MET 86 -9.998 17.884 23.130 707 HE3 MET 86 HE3 MET 86 -9.947 16.158 22.773 708 H LEU 87 H LEU 87 -3.038 17.628 20.894 709 HA LEU 87 HA LEU 87 -4.468 17.768 18.350 710 HB2 LEU 87 HB2 LEU 87 -2.269 18.532 17.323 711 HB3 LEU 87 HB3 LEU 87 -3.208 19.701 18.213 712 HG LEU 87 HG LEU 87 -0.790 19.958 18.541 713 HD11 LEU 87 HD11 LEU 87 -0.766 20.089 20.982 714 HD12 LEU 87 HD12 LEU 87 -2.264 19.161 21.036 715 HD13 LEU 87 HD13 LEU 87 -2.244 20.756 20.285 716 HD21 LEU 87 HD21 LEU 87 -0.918 17.264 19.859 717 HD22 LEU 87 HD22 LEU 87 0.471 18.353 19.860 718 HD23 LEU 87 HD23 LEU 87 -0.103 17.653 18.345 719 H LEU 88 H LEU 88 -3.809 16.331 16.727 720 HA LEU 88 HA LEU 88 -2.238 14.089 17.787 721 HB2 LEU 88 HB2 LEU 88 -3.468 12.598 16.306 722 HB3 LEU 88 HB3 LEU 88 -4.546 13.437 17.399 723 HG LEU 88 HG LEU 88 -4.619 15.037 15.168 724 HD11 LEU 88 HD11 LEU 88 -3.360 13.460 13.832 725 HD12 LEU 88 HD12 LEU 88 -5.036 13.506 13.284 726 HD13 LEU 88 HD13 LEU 88 -4.466 12.161 14.273 727 HD21 LEU 88 HD21 LEU 88 -6.502 14.353 16.550 728 HD22 LEU 88 HD22 LEU 88 -6.413 12.723 15.883 729 HD23 LEU 88 HD23 LEU 88 -6.842 14.081 14.842 730 H ILE 89 H ILE 89 -0.287 14.122 17.035 731 HA ILE 89 HA ILE 89 0.190 15.261 14.391 732 HB ILE 89 HB ILE 89 2.165 14.483 16.530 733 HG12 ILE 89 HG12 ILE 89 1.219 17.203 15.619 734 HG13 ILE 89 HG13 ILE 89 0.723 16.410 17.108 735 HG21 ILE 89 HG21 ILE 89 2.619 15.970 13.947 736 HG22 ILE 89 HG22 ILE 89 3.107 14.308 14.273 737 HG23 ILE 89 HG23 ILE 89 3.833 15.632 15.182 738 HD11 ILE 89 HD11 ILE 89 2.417 18.091 17.531 739 HD12 ILE 89 HD12 ILE 89 3.520 17.285 16.416 740 HD13 ILE 89 HD13 ILE 89 3.032 16.482 17.909 741 H TYR 90 H TYR 90 -0.047 13.844 12.806 742 HA TYR 90 HA TYR 90 0.768 11.095 13.235 743 HB2 TYR 90 HB2 TYR 90 -0.168 10.627 11.007 744 HB3 TYR 90 HB3 TYR 90 -1.338 11.392 12.064 745 HD1 TYR 90 HD1 TYR 90 0.196 11.441 8.869 746 HD2 TYR 90 HD2 TYR 90 -1.699 13.951 11.735 747 HE1 TYR 90 HE1 TYR 90 -0.300 13.074 7.101 748 HE2 TYR 90 HE2 TYR 90 -2.196 15.593 9.974 749 HH TYR 90 HH TYR 90 -1.238 16.229 7.720 750 H TYR 91 H TYR 91 2.801 10.700 13.111 751 HA TYR 91 HA TYR 91 4.470 12.291 11.317 752 HB2 TYR 91 HB2 TYR 91 6.362 11.256 12.678 753 HB3 TYR 91 HB3 TYR 91 5.314 12.385 13.526 754 HD1 TYR 91 HD1 TYR 91 3.760 11.587 15.241 755 HD2 TYR 91 HD2 TYR 91 6.408 8.910 13.266 756 HE1 TYR 91 HE1 TYR 91 3.356 9.907 16.989 757 HE2 TYR 91 HE2 TYR 91 6.006 7.222 15.006 758 HH TYR 91 HH TYR 91 5.269 7.289 17.502 759 H CYS 92 H CYS 92 5.399 11.464 9.604 760 HA CYS 92 HA CYS 92 5.276 8.546 9.230 761 HB2 CYS 92 HB2 CYS 92 5.213 9.198 6.727 762 HB3 CYS 92 HB3 CYS 92 3.741 9.388 7.675 763 HG CYS 92 HG CYS 92 3.600 11.640 6.254 764 HA PRO 93 HA PRO 93 9.670 9.776 8.882 765 HB2 PRO 93 HB2 PRO 93 10.662 8.351 10.892 766 HB3 PRO 93 HB3 PRO 93 9.718 9.815 11.203 767 HG2 PRO 93 HG2 PRO 93 8.935 6.959 11.491 768 HG3 PRO 93 HG3 PRO 93 8.437 8.365 12.447 769 HD2 PRO 93 HD2 PRO 93 7.012 7.153 10.313 770 HD3 PRO 93 HD3 PRO 93 6.618 8.675 11.136 771 H ASN 94 H ASN 94 11.573 7.868 9.505 772 HA ASN 94 HA ASN 94 11.897 6.455 7.160 773 HB2 ASN 94 HB2 ASN 94 13.696 6.977 8.760 774 HB3 ASN 94 HB3 ASN 94 13.029 5.804 9.889 775 HD21 ASN 94 HD21 ASN 94 14.846 4.561 9.943 776 HD22 ASN 94 HD22 ASN 94 15.392 3.610 8.604 777 H GLY 95 H GLY 95 10.811 4.798 6.338 778 HA2 GLY 95 HA2 GLY 95 10.395 2.391 6.573 779 HA3 GLY 95 HA3 GLY 95 9.811 2.730 8.194 780 H SER 96 H SER 96 8.508 5.222 6.984 781 HA SER 96 HA SER 96 5.933 4.044 6.769 782 HB2 SER 96 HB2 SER 96 6.779 6.879 6.141 783 HB3 SER 96 HB3 SER 96 5.135 6.323 6.459 784 HG SER 96 HG SER 96 7.298 6.629 8.217 785 H SER 97 H SER 97 4.976 3.226 5.048 786 HA SER 97 HA SER 97 6.041 3.627 2.399 787 HB2 SER 97 HB2 SER 97 3.635 2.066 3.363 788 HB3 SER 97 HB3 SER 97 4.306 2.008 1.732 789 HG SER 97 HG SER 97 6.352 1.427 2.958 790 HA PRO 98 HA PRO 98 3.760 7.081 1.076 791 HB2 PRO 98 HB2 PRO 98 2.988 6.254 -1.459 792 HB3 PRO 98 HB3 PRO 98 4.555 6.950 -1.040 793 HG2 PRO 98 HG2 PRO 98 3.775 4.082 -1.349 794 HG3 PRO 98 HG3 PRO 98 5.262 4.902 -1.862 795 HD2 PRO 98 HD2 PRO 98 5.228 3.374 0.322 796 HD3 PRO 98 HD3 PRO 98 6.154 4.890 0.289 797 H GLU 99 H GLU 99 2.047 4.066 0.158 798 HA GLU 99 HA GLU 99 -0.454 5.407 -0.031 799 HB2 GLU 99 HB2 GLU 99 -1.157 2.778 0.263 800 HB3 GLU 99 HB3 GLU 99 -0.796 3.574 -1.258 801 HG2 GLU 99 HG2 GLU 99 0.411 1.565 -1.253 802 HG3 GLU 99 HG3 GLU 99 1.584 2.844 -0.958 803 H LEU 100 H LEU 100 1.124 3.538 2.508 804 HA LEU 100 HA LEU 100 -1.048 3.487 4.295 805 HB2 LEU 100 HB2 LEU 100 1.895 3.597 4.923 806 HB3 LEU 100 HB3 LEU 100 0.636 3.183 6.064 807 HG LEU 100 HG LEU 100 1.386 1.593 3.609 808 HD11 LEU 100 HD11 LEU 100 1.780 1.032 6.547 809 HD12 LEU 100 HD12 LEU 100 3.045 1.442 5.388 810 HD13 LEU 100 HD13 LEU 100 2.159 -0.074 5.228 811 HD21 LEU 100 HD21 LEU 100 -0.624 0.971 5.771 812 HD22 LEU 100 HD22 LEU 100 -0.208 -0.054 4.397 813 HD23 LEU 100 HD23 LEU 100 -1.020 1.490 4.133 814 H GLN 101 H GLN 101 1.452 5.925 3.700 815 HA GLN 101 HA GLN 101 0.890 7.666 5.807 816 HB2 GLN 101 HB2 GLN 101 1.723 8.324 2.977 817 HB3 GLN 101 HB3 GLN 101 1.720 9.479 4.304 818 HG2 GLN 101 HG2 GLN 101 3.365 8.181 5.486 819 HG3 GLN 101 HG3 GLN 101 3.306 6.940 4.239 820 HE21 GLN 101 HE21 GLN 101 5.503 7.152 3.775 821 HE22 GLN 101 HE22 GLN 101 6.143 8.523 2.939 822 H MET 102 H MET 102 -0.528 7.526 2.567 823 HA MET 102 HA MET 102 -2.378 9.635 3.032 824 HB2 MET 102 HB2 MET 102 -2.354 7.451 0.944 825 HB3 MET 102 HB3 MET 102 -3.433 8.840 0.924 826 HG2 MET 102 HG2 MET 102 -0.427 8.962 0.810 827 HG3 MET 102 HG3 MET 102 -1.507 9.106 -0.573 828 HE1 MET 102 HE1 MET 102 -3.104 11.145 -1.001 829 HE2 MET 102 HE2 MET 102 -3.347 12.465 0.144 830 HE3 MET 102 HE3 MET 102 -3.882 10.833 0.550 831 H LEU 103 H LEU 103 -2.434 6.185 3.505 832 HA LEU 103 HA LEU 103 -5.159 5.750 3.975 833 HB2 LEU 103 HB2 LEU 103 -3.720 3.877 3.820 834 HB3 LEU 103 HB3 LEU 103 -2.643 4.495 5.055 835 HG LEU 103 HG LEU 103 -4.412 4.099 6.744 836 HD11 LEU 103 HD11 LEU 103 -5.835 2.747 4.456 837 HD12 LEU 103 HD12 LEU 103 -6.356 4.218 5.279 838 HD13 LEU 103 HD13 LEU 103 -6.316 2.686 6.152 839 HD21 LEU 103 HD21 LEU 103 -3.596 1.699 5.117 840 HD22 LEU 103 HD22 LEU 103 -4.164 1.668 6.786 841 HD23 LEU 103 HD23 LEU 103 -2.646 2.471 6.386 842 H TYR 104 H TYR 104 -2.583 6.405 6.377 843 HA TYR 104 HA TYR 104 -4.393 6.833 8.516 844 HB2 TYR 104 HB2 TYR 104 -1.527 7.748 8.217 845 HB3 TYR 104 HB3 TYR 104 -2.454 7.816 9.708 846 HD1 TYR 104 HD1 TYR 104 -0.704 5.652 7.353 847 HD2 TYR 104 HD2 TYR 104 -2.902 5.780 10.985 848 HE1 TYR 104 HE1 TYR 104 0.103 3.406 7.903 849 HE2 TYR 104 HE2 TYR 104 -2.103 3.518 11.550 850 HH TYR 104 HH TYR 104 0.446 2.005 9.809 851 H ALA 105 H ALA 105 -2.648 9.063 6.348 852 HA ALA 105 HA ALA 105 -3.600 11.454 7.501 853 HB1 ALA 105 HB1 ALA 105 -2.826 10.966 4.627 854 HB2 ALA 105 HB2 ALA 105 -1.725 11.401 5.935 855 HB3 ALA 105 HB3 ALA 105 -2.968 12.539 5.415 856 H GLY 106 H GLY 106 -5.226 9.112 5.631 857 HA2 GLY 106 HA2 GLY 106 -7.264 10.870 4.604 858 HA3 GLY 106 HA3 GLY 106 -7.282 9.113 4.572 859 H SER 107 H SER 107 -7.202 8.375 7.155 860 HA SER 107 HA SER 107 -9.877 9.134 7.946 861 HB2 SER 107 HB2 SER 107 -8.060 7.008 9.071 862 HB3 SER 107 HB3 SER 107 -9.764 7.227 9.471 863 HG SER 107 HG SER 107 -8.592 6.137 7.215 864 H ARG 108 H ARG 108 -6.862 10.311 8.685 865 HA ARG 108 HA ARG 108 -7.098 10.746 11.461 866 HB2 ARG 108 HB2 ARG 108 -5.423 12.530 11.171 867 HB3 ARG 108 HB3 ARG 108 -4.958 11.045 10.358 868 HG2 ARG 108 HG2 ARG 108 -4.413 12.533 8.742 869 HG3 ARG 108 HG3 ARG 108 -6.092 12.242 8.294 870 HD2 ARG 108 HD2 ARG 108 -6.735 14.257 9.593 871 HD3 ARG 108 HD3 ARG 108 -5.026 14.564 9.898 872 HE ARG 108 HE ARG 108 -6.034 14.410 7.139 873 HH11 ARG 108 HH11 ARG 108 -4.530 16.235 9.719 874 HH12 ARG 108 HH12 ARG 108 -4.055 17.553 8.684 875 HH21 ARG 108 HH21 ARG 108 -5.434 16.156 5.773 876 HH22 ARG 108 HH22 ARG 108 -4.589 17.517 6.454 877 H ASN 109 H ASN 109 -8.653 12.241 8.763 878 HA ASN 109 HA ASN 109 -9.454 14.615 10.151 879 HB2 ASN 109 HB2 ASN 109 -10.459 13.293 7.627 880 HB3 ASN 109 HB3 ASN 109 -11.165 14.771 8.271 881 HD21 ASN 109 HD21 ASN 109 -9.965 16.668 8.251 882 HD22 ASN 109 HD22 ASN 109 -8.562 16.858 7.253 883 H PHE 110 H PHE 110 -10.672 11.375 9.856 884 HA PHE 110 HA PHE 110 -13.316 11.976 10.768 885 HB2 PHE 110 HB2 PHE 110 -11.829 9.362 10.469 886 HB3 PHE 110 HB3 PHE 110 -13.517 9.480 10.952 887 HD1 PHE 110 HD1 PHE 110 -15.229 9.910 9.362 888 HD2 PHE 110 HD2 PHE 110 -11.139 10.056 8.190 889 HE1 PHE 110 HE1 PHE 110 -15.911 9.961 6.998 890 HE2 PHE 110 HE2 PHE 110 -11.816 10.110 5.825 891 HZ PHE 110 HZ PHE 110 -14.205 10.061 5.227 892 H ILE 111 H ILE 111 -10.323 10.877 12.273 893 HA ILE 111 HA ILE 111 -11.537 10.300 14.783 894 HB ILE 111 HB ILE 111 -9.385 9.315 14.077 895 HG12 ILE 111 HG12 ILE 111 -10.186 9.676 16.536 896 HG13 ILE 111 HG13 ILE 111 -8.566 9.090 16.217 897 HG21 ILE 111 HG21 ILE 111 -7.312 10.603 14.327 898 HG22 ILE 111 HG22 ILE 111 -8.271 12.062 14.580 899 HG23 ILE 111 HG23 ILE 111 -8.346 11.215 13.035 900 HD11 ILE 111 HD11 ILE 111 -9.308 11.927 16.882 901 HD12 ILE 111 HD12 ILE 111 -7.675 11.326 16.591 902 HD13 ILE 111 HD13 ILE 111 -8.590 10.754 17.987 903 H VAL 112 H VAL 112 -10.129 13.172 13.332 904 HA VAL 112 HA VAL 112 -10.096 14.823 15.611 905 HB VAL 112 HB VAL 112 -10.563 15.577 12.714 906 HG11 VAL 112 HG11 VAL 112 -9.932 17.850 13.363 907 HG12 VAL 112 HG12 VAL 112 -9.852 17.347 15.051 908 HG13 VAL 112 HG13 VAL 112 -11.395 17.327 14.199 909 HG21 VAL 112 HG21 VAL 112 -8.189 16.245 12.779 910 HG22 VAL 112 HG22 VAL 112 -8.415 14.520 13.068 911 HG23 VAL 112 HG23 VAL 112 -8.076 15.601 14.418 912 H ASN 113 H ASN 113 -12.633 13.636 13.608 913 HA ASN 113 HA ASN 113 -14.603 15.548 14.553 914 HB2 ASN 113 HB2 ASN 113 -14.790 14.789 12.260 915 HB3 ASN 113 HB3 ASN 113 -14.818 13.108 12.772 916 HD21 ASN 113 HD21 ASN 113 -16.743 12.779 11.686 917 HD22 ASN 113 HD22 ASN 113 -18.262 13.364 12.292 918 H GLU 114 H GLU 114 -13.563 12.284 15.185 919 HA GLU 114 HA GLU 114 -15.803 11.423 16.668 920 HB2 GLU 114 HB2 GLU 114 -13.473 10.273 15.740 921 HB3 GLU 114 HB3 GLU 114 -13.251 10.255 17.482 922 HG2 GLU 114 HG2 GLU 114 -15.469 8.993 15.898 923 HG3 GLU 114 HG3 GLU 114 -14.229 8.188 16.858 924 H CYS 115 H CYS 115 -12.594 12.516 17.808 925 HA CYS 115 HA CYS 115 -13.635 12.637 20.529 926 HB2 CYS 115 HB2 CYS 115 -11.398 11.611 19.954 927 HB3 CYS 115 HB3 CYS 115 -10.830 13.230 19.572 928 HG CYS 115 HG CYS 115 -10.770 11.723 22.435 929 H HIS 116 H HIS 116 -13.687 14.674 17.991 930 HA HIS 116 HA HIS 116 -13.657 16.914 17.606 931 HB2 HIS 116 HB2 HIS 116 -15.446 16.816 19.392 932 HB3 HIS 116 HB3 HIS 116 -14.203 17.218 20.572 933 HD1 HIS 116 HD1 HIS 116 -13.522 19.665 20.773 934 HD2 HIS 116 HD2 HIS 116 -16.066 18.928 17.562 935 HE1 HIS 116 HE1 HIS 116 -14.212 21.927 19.921 936 HE2 HIS 116 HE2 HIS 116 -15.606 21.461 17.873 937 H VAL 117 H VAL 117 -11.281 16.110 17.509 938 HA VAL 117 HA VAL 117 -9.446 16.910 19.504 939 HB VAL 117 HB VAL 117 -8.879 16.582 16.552 940 HG11 VAL 117 HG11 VAL 117 -7.097 16.343 18.971 941 HG12 VAL 117 HG12 VAL 117 -7.063 17.635 17.771 942 HG13 VAL 117 HG13 VAL 117 -6.622 15.991 17.310 943 HG21 VAL 117 HG21 VAL 117 -8.856 14.513 18.738 944 HG22 VAL 117 HG22 VAL 117 -8.310 14.268 17.079 945 HG23 VAL 117 HG23 VAL 117 -10.009 14.609 17.406 946 H SER 118 H SER 118 -8.192 18.733 19.715 947 HA SER 118 HA SER 118 -9.441 21.152 18.876 948 HB2 SER 118 HB2 SER 118 -6.729 20.825 20.173 949 HB3 SER 118 HB3 SER 118 -7.760 22.258 20.199 950 HG SER 118 HG SER 118 -8.940 19.940 21.130 951 H LYS 119 H LYS 119 -6.540 19.399 17.922 952 HA LYS 119 HA LYS 119 -6.457 20.665 15.372 953 HB2 LYS 119 HB2 LYS 119 -4.025 21.501 15.807 954 HB3 LYS 119 HB3 LYS 119 -5.384 22.514 16.275 955 HG2 LYS 119 HG2 LYS 119 -5.171 21.760 18.581 956 HG3 LYS 119 HG3 LYS 119 -3.837 20.702 18.121 957 HD2 LYS 119 HD2 LYS 119 -3.796 23.691 17.731 958 HD3 LYS 119 HD3 LYS 119 -3.169 22.889 19.171 959 HE2 LYS 119 HE2 LYS 119 -1.561 21.686 17.855 960 HE3 LYS 119 HE3 LYS 119 -2.250 22.323 16.363 961 HZ1 LYS 119 HZ1 LYS 119 -0.288 23.557 16.949 962 HZ2 LYS 119 HZ2 LYS 119 -0.908 23.894 18.498 963 HZ3 LYS 119 HZ3 LYS 119 -1.642 24.561 17.122 964 H ASN 120 H ASN 120 -4.444 19.916 14.139 965 HA ASN 120 HA ASN 120 -3.088 17.661 15.350 966 HB2 ASN 120 HB2 ASN 120 -3.608 16.036 13.718 967 HB3 ASN 120 HB3 ASN 120 -5.136 16.733 14.215 968 HD21 ASN 120 HD21 ASN 120 -4.882 19.135 12.598 969 HD22 ASN 120 HD22 ASN 120 -5.094 18.633 10.960 970 H THR 121 H THR 121 -1.357 16.797 13.804 971 HA THR 121 HA THR 121 -0.212 18.871 12.129 972 HB THR 121 HB THR 121 1.234 17.968 14.625 973 HG1 THR 121 HG1 THR 121 -0.376 20.224 14.077 974 HG21 THR 121 HG21 THR 121 2.717 18.584 12.785 975 HG22 THR 121 HG22 THR 121 2.793 19.777 14.082 976 HG23 THR 121 HG23 THR 121 1.878 20.125 12.616 977 H GLU 122 H GLU 122 1.557 18.082 10.821 978 HA GLU 122 HA GLU 122 2.167 15.234 11.209 979 HB2 GLU 122 HB2 GLU 122 2.269 14.898 8.791 980 HB3 GLU 122 HB3 GLU 122 0.667 15.396 9.305 981 HG2 GLU 122 HG2 GLU 122 2.689 17.296 8.149 982 HG3 GLU 122 HG3 GLU 122 1.519 16.411 7.175 983 H ILE 123 H ILE 123 4.236 14.657 11.152 984 HA ILE 123 HA ILE 123 6.223 16.486 9.997 985 HB ILE 123 HB ILE 123 6.613 15.121 12.677 986 HG12 ILE 123 HG12 ILE 123 6.195 18.064 12.091 987 HG13 ILE 123 HG13 ILE 123 4.990 17.003 12.814 988 HG21 ILE 123 HG21 ILE 123 8.334 17.079 11.160 989 HG22 ILE 123 HG22 ILE 123 8.666 15.366 11.416 990 HG23 ILE 123 HG23 ILE 123 8.658 16.475 12.787 991 HD11 ILE 123 HD11 ILE 123 6.452 16.655 14.734 992 HD12 ILE 123 HD12 ILE 123 6.090 18.364 14.494 993 HD13 ILE 123 HD13 ILE 123 7.660 17.719 14.013 994 H ARG 124 H ARG 124 7.721 15.424 8.785 995 HA ARG 124 HA ARG 124 7.455 12.514 8.657 996 HB2 ARG 124 HB2 ARG 124 7.251 13.719 6.566 997 HB3 ARG 124 HB3 ARG 124 8.810 14.488 6.816 998 HG2 ARG 124 HG2 ARG 124 9.870 12.254 6.692 999 HG3 ARG 124 HG3 ARG 124 8.291 11.571 6.295 1000 HD2 ARG 124 HD2 ARG 124 8.161 12.854 4.297 1001 HD3 ARG 124 HD3 ARG 124 9.595 13.781 4.728 1002 HE ARG 124 HE ARG 124 9.719 10.886 4.188 1003 HH11 ARG 124 HH11 ARG 124 10.835 14.167 3.619 1004 HH12 ARG 124 HH12 ARG 124 12.164 13.664 2.608 1005 HH21 ARG 124 HH21 ARG 124 11.471 10.226 2.914 1006 HH22 ARG 124 HH22 ARG 124 12.557 11.417 2.244 1007 H ASP 125 H ASP 125 8.576 12.587 10.837 1008 HA ASP 125 HA ASP 125 11.008 11.318 10.680 1009 HB2 ASP 125 HB2 ASP 125 11.948 13.502 9.958 1010 HB3 ASP 125 HB3 ASP 125 11.410 14.214 11.477 1011 H ILE 126 H ILE 126 11.981 10.914 12.801 1012 HA ILE 126 HA ILE 126 10.064 11.267 14.999 1013 HB ILE 126 HB ILE 126 12.447 9.434 14.676 1014 HG12 ILE 126 HG12 ILE 126 10.418 8.761 13.461 1015 HG13 ILE 126 HG13 ILE 126 10.782 7.645 14.771 1016 HG21 ILE 126 HG21 ILE 126 10.629 9.704 17.068 1017 HG22 ILE 126 HG22 ILE 126 12.326 10.180 16.995 1018 HG23 ILE 126 HG23 ILE 126 11.878 8.479 16.854 1019 HD11 ILE 126 HD11 ILE 126 8.718 9.828 14.856 1020 HD12 ILE 126 HD12 ILE 126 9.076 8.686 16.152 1021 HD13 ILE 126 HD13 ILE 126 8.403 8.109 14.627 1022 H ASP 127 H ASP 127 13.327 11.988 13.969 1023 HA ASP 127 HA ASP 127 14.383 12.598 16.529 1024 HB2 ASP 127 HB2 ASP 127 15.729 11.904 14.533 1025 HB3 ASP 127 HB3 ASP 127 15.433 13.497 13.843 1026 H GLU 128 H GLU 128 13.044 14.597 13.925 1027 HA GLU 128 HA GLU 128 13.832 17.017 15.289 1028 HB2 GLU 128 HB2 GLU 128 12.844 18.195 13.398 1029 HB3 GLU 128 HB3 GLU 128 13.939 16.929 12.867 1030 HG2 GLU 128 HG2 GLU 128 12.007 15.488 12.394 1031 HG3 GLU 128 HG3 GLU 128 10.934 16.808 12.865 1032 H ILE 129 H ILE 129 11.548 14.983 16.122 1033 HA ILE 129 HA ILE 129 9.578 17.055 16.777 1034 HB ILE 129 HB ILE 129 9.438 14.091 17.369 1035 HG12 ILE 129 HG12 ILE 129 8.177 15.680 15.123 1036 HG13 ILE 129 HG13 ILE 129 9.436 14.462 14.954 1037 HG21 ILE 129 HG21 ILE 129 7.336 16.254 17.485 1038 HG22 ILE 129 HG22 ILE 129 8.087 15.451 18.863 1039 HG23 ILE 129 HG23 ILE 129 7.058 14.535 17.764 1040 HD11 ILE 129 HD11 ILE 129 7.283 13.565 14.321 1041 HD12 ILE 129 HD12 ILE 129 6.620 13.985 15.901 1042 HD13 ILE 129 HD13 ILE 129 7.880 12.758 15.771 1043 H ASP 130 H ASP 130 9.909 18.126 18.619 1044 HA ASP 130 HA ASP 130 10.455 16.764 21.059 1045 HB2 ASP 130 HB2 ASP 130 12.597 17.699 21.610 1046 HB3 ASP 130 HB3 ASP 130 12.750 16.890 20.055 1047 H ASP 131 H ASP 131 11.388 18.858 22.578 1048 HA ASP 131 HA ASP 131 8.895 20.009 23.166 1049 HB2 ASP 131 HB2 ASP 131 10.540 19.472 24.871 1050 HB3 ASP 131 HB3 ASP 131 11.650 20.667 24.211 1051 H GLU 132 H GLU 132 11.526 21.203 21.201 1052 HA GLU 132 HA GLU 132 11.243 23.944 21.649 1053 HB2 GLU 132 HB2 GLU 132 12.516 24.321 19.688 1054 HB3 GLU 132 HB3 GLU 132 13.118 22.833 20.399 1055 HG2 GLU 132 HG2 GLU 132 12.088 21.504 18.738 1056 HG3 GLU 132 HG3 GLU 132 11.100 22.852 18.177 1057 H LEU 133 H LEU 133 9.384 21.835 19.524 1058 HA LEU 133 HA LEU 133 8.263 24.026 18.074 1059 HB2 LEU 133 HB2 LEU 133 6.659 22.305 17.184 1060 HB3 LEU 133 HB3 LEU 133 8.346 22.065 16.827 1061 HG LEU 133 HG LEU 133 8.209 20.505 18.974 1062 HD11 LEU 133 HD11 LEU 133 6.063 19.316 19.028 1063 HD12 LEU 133 HD12 LEU 133 5.396 20.488 17.892 1064 HD13 LEU 133 HD13 LEU 133 5.899 21.007 19.501 1065 HD21 LEU 133 HD21 LEU 133 8.907 19.804 16.750 1066 HD22 LEU 133 HD22 LEU 133 7.222 19.723 16.235 1067 HD23 LEU 133 HD23 LEU 133 7.821 18.617 17.471 1068 H LEU 134 H LEU 134 7.347 22.289 20.963 1069 HA LEU 134 HA LEU 134 4.622 22.720 21.017 1070 HB2 LEU 134 HB2 LEU 134 6.566 22.818 23.305 1071 HB3 LEU 134 HB3 LEU 134 4.825 22.787 23.495 1072 HG LEU 134 HG LEU 134 6.492 20.613 22.230 1073 HD11 LEU 134 HD11 LEU 134 5.874 19.319 24.211 1074 HD12 LEU 134 HD12 LEU 134 5.052 20.732 24.877 1075 HD13 LEU 134 HD13 LEU 134 6.800 20.757 24.641 1076 HD21 LEU 134 HD21 LEU 134 4.252 20.806 21.237 1077 HD22 LEU 134 HD22 LEU 134 3.538 20.693 22.847 1078 HD23 LEU 134 HD23 LEU 134 4.431 19.326 22.179 1079 H GLU 135 H GLU 135 7.167 25.012 22.007 1080 HA GLU 135 HA GLU 135 5.251 26.945 22.916 1081 HB2 GLU 135 HB2 GLU 135 8.213 27.164 22.412 1082 HB3 GLU 135 HB3 GLU 135 7.232 28.481 23.039 1083 HG2 GLU 135 HG2 GLU 135 6.552 26.838 24.881 1084 HG3 GLU 135 HG3 GLU 135 7.930 25.880 24.338 1085 H SER 136 H SER 136 6.209 26.038 19.857 1086 HA SER 136 HA SER 136 5.285 28.621 18.781 1087 HB2 SER 136 HB2 SER 136 7.072 26.554 17.467 1088 HB3 SER 136 HB3 SER 136 6.490 28.031 16.698 1089 HG SER 136 HG SER 136 7.950 28.078 19.127 1090 H LYS 137 H LYS 137 4.268 25.665 19.545 1091 HA LYS 137 HA LYS 137 2.545 25.357 17.197 1092 HB2 LYS 137 HB2 LYS 137 3.420 23.412 19.312 1093 HB3 LYS 137 HB3 LYS 137 2.046 23.083 18.264 1094 HG2 LYS 137 HG2 LYS 137 4.853 23.637 17.313 1095 HG3 LYS 137 HG3 LYS 137 4.121 22.037 17.464 1096 HD2 LYS 137 HD2 LYS 137 2.435 22.617 15.831 1097 HD3 LYS 137 HD3 LYS 137 3.056 24.263 15.733 1098 HE2 LYS 137 HE2 LYS 137 4.655 21.812 15.020 1099 HE3 LYS 137 HE3 LYS 137 3.737 22.758 13.850 1100 HZ1 LYS 137 HZ1 LYS 137 5.097 24.715 14.583 1101 HZ2 LYS 137 HZ2 LYS 137 5.956 23.511 13.760 1102 HZ3 LYS 137 HZ3 LYS 137 6.082 23.635 15.439 1103 H PHE 138 H PHE 138 2.333 24.799 20.697 1104 HA PHE 138 HA PHE 138 0.517 24.772 22.089 1105 HB2 PHE 138 HB2 PHE 138 0.607 27.562 20.971 1106 HB3 PHE 138 HB3 PHE 138 -0.510 27.111 22.255 1107 HD1 PHE 138 HD1 PHE 138 2.354 28.794 21.784 1108 HD2 PHE 138 HD2 PHE 138 0.922 25.500 24.068 1109 HE1 PHE 138 HE1 PHE 138 4.112 29.193 23.460 1110 HE2 PHE 138 HE2 PHE 138 2.678 25.894 25.745 1111 HZ PHE 138 HZ PHE 138 4.273 27.744 25.443 Start of MODEL 2 1 H MET 1 H MET 1 2.686 -2.488 0.163 2 HA MET 1 HA MET 1 3.895 0.189 0.363 3 HB2 MET 1 HB2 MET 1 6.018 -0.837 -0.385 4 HB3 MET 1 HB3 MET 1 5.533 -1.335 1.228 5 HG2 MET 1 HG2 MET 1 4.670 -3.443 0.272 6 HG3 MET 1 HG3 MET 1 5.282 -2.940 -1.304 7 HE1 MET 1 HE1 MET 1 7.817 -5.752 -0.272 8 HE2 MET 1 HE2 MET 1 6.721 -5.177 -1.529 9 HE3 MET 1 HE3 MET 1 6.078 -5.718 0.023 10 H THR 2 H THR 2 1.965 -1.836 -1.403 11 HA THR 2 HA THR 2 2.895 -0.765 -3.960 12 HB THR 2 HB THR 2 0.879 -2.055 -4.866 13 HG1 THR 2 HG1 THR 2 0.721 -3.887 -2.979 14 HG21 THR 2 HG21 THR 2 3.100 -3.578 -3.500 15 HG22 THR 2 HG22 THR 2 3.154 -2.876 -5.118 16 HG23 THR 2 HG23 THR 2 2.057 -4.214 -4.773 17 H SER 3 H SER 3 -0.461 -1.260 -3.153 18 HA SER 3 HA SER 3 -1.034 1.475 -2.528 19 HB2 SER 3 HB2 SER 3 -1.897 0.370 -5.216 20 HB3 SER 3 HB3 SER 3 -2.583 1.819 -4.484 21 HG SER 3 HG SER 3 0.158 1.843 -4.549 22 H SER 4 H SER 4 -2.238 0.931 -0.802 23 HA SER 4 HA SER 4 -4.794 -0.342 -1.310 24 HB2 SER 4 HB2 SER 4 -2.888 -1.399 0.799 25 HB3 SER 4 HB3 SER 4 -4.562 -1.909 0.587 26 HG SER 4 HG SER 4 -3.359 -2.112 -1.765 27 H LEU 5 H LEU 5 -6.238 1.005 -0.477 28 HA LEU 5 HA LEU 5 -5.659 2.335 2.063 29 HB2 LEU 5 HB2 LEU 5 -5.030 3.761 0.020 30 HB3 LEU 5 HB3 LEU 5 -6.747 3.853 -0.301 31 HG LEU 5 HG LEU 5 -5.621 4.744 2.341 32 HD11 LEU 5 HD11 LEU 5 -5.490 7.006 1.435 33 HD12 LEU 5 HD12 LEU 5 -5.916 6.396 -0.164 34 HD13 LEU 5 HD13 LEU 5 -4.392 5.919 0.585 35 HD21 LEU 5 HD21 LEU 5 -8.078 5.551 0.780 36 HD22 LEU 5 HD22 LEU 5 -7.614 6.150 2.372 37 HD23 LEU 5 HD23 LEU 5 -8.056 4.456 2.164 38 H THR 6 H THR 6 -7.405 2.520 3.340 39 HA THR 6 HA THR 6 -10.086 2.531 2.313 40 HB THR 6 HB THR 6 -9.526 0.087 2.338 41 HG1 THR 6 HG1 THR 6 -11.500 -0.397 3.030 42 HG21 THR 6 HG21 THR 6 -9.323 -1.060 4.499 43 HG22 THR 6 HG22 THR 6 -9.302 0.498 5.322 44 HG23 THR 6 HG23 THR 6 -7.988 0.062 4.230 45 H ILE 7 H ILE 7 -11.627 3.000 4.089 46 HA ILE 7 HA ILE 7 -10.270 4.604 6.091 47 HB ILE 7 HB ILE 7 -12.403 5.592 6.600 48 HG12 ILE 7 HG12 ILE 7 -14.313 4.724 4.882 49 HG13 ILE 7 HG13 ILE 7 -13.476 3.209 5.207 50 HG21 ILE 7 HG21 ILE 7 -12.039 5.268 3.627 51 HG22 ILE 7 HG22 ILE 7 -11.245 6.454 4.664 52 HG23 ILE 7 HG23 ILE 7 -12.989 6.532 4.411 53 HD11 ILE 7 HD11 ILE 7 -13.864 3.479 7.583 54 HD12 ILE 7 HD12 ILE 7 -15.387 3.571 6.696 55 HD13 ILE 7 HD13 ILE 7 -14.626 5.044 7.299 56 H CYS 8 H CYS 8 -11.092 4.552 8.362 57 HA CYS 8 HA CYS 8 -11.258 1.729 9.152 58 HB2 CYS 8 HB2 CYS 8 -10.232 2.500 11.285 59 HB3 CYS 8 HB3 CYS 8 -9.217 2.803 9.879 60 HG CYS 8 HG CYS 8 -11.240 5.317 10.893 61 H SER 9 H SER 9 -12.866 1.011 10.401 62 HA SER 9 HA SER 9 -14.836 2.929 11.403 63 HB2 SER 9 HB2 SER 9 -16.068 0.698 11.931 64 HB3 SER 9 HB3 SER 9 -15.937 1.202 10.247 65 HG SER 9 HG SER 9 -14.571 -0.847 11.617 66 H ILE 10 H ILE 10 -15.204 3.177 13.595 67 HA ILE 10 HA ILE 10 -12.951 2.294 15.205 68 HB ILE 10 HB ILE 10 -13.618 3.959 16.854 69 HG12 ILE 10 HG12 ILE 10 -16.103 3.825 16.386 70 HG13 ILE 10 HG13 ILE 10 -15.460 5.446 16.611 71 HG21 ILE 10 HG21 ILE 10 -13.196 5.972 15.511 72 HG22 ILE 10 HG22 ILE 10 -13.486 5.034 14.047 73 HG23 ILE 10 HG23 ILE 10 -12.122 4.637 15.092 74 HD11 ILE 10 HD11 ILE 10 -16.101 4.162 13.957 75 HD12 ILE 10 HD12 ILE 10 -15.510 5.806 14.207 76 HD13 ILE 10 HD13 ILE 10 -17.100 5.341 14.809 77 HA PRO 11 HA PRO 11 -15.466 -0.653 17.484 78 HB2 PRO 11 HB2 PRO 11 -13.429 -1.316 19.192 79 HB3 PRO 11 HB3 PRO 11 -13.643 -2.049 17.600 80 HG2 PRO 11 HG2 PRO 11 -11.784 0.111 18.466 81 HG3 PRO 11 HG3 PRO 11 -11.511 -1.215 17.325 82 HD2 PRO 11 HD2 PRO 11 -12.019 1.344 16.550 83 HD3 PRO 11 HD3 PRO 11 -12.471 -0.072 15.579 84 H ASP 12 H ASP 12 -16.635 -0.310 19.300 85 HA ASP 12 HA ASP 12 -16.666 2.256 20.432 86 HB2 ASP 12 HB2 ASP 12 -18.601 0.653 20.307 87 HB3 ASP 12 HB3 ASP 12 -17.890 -0.223 21.659 88 H GLY 13 H GLY 13 -15.058 -0.680 21.414 89 HA2 GLY 13 HA2 GLY 13 -14.414 -0.080 24.053 90 HA3 GLY 13 HA3 GLY 13 -13.412 -1.041 22.976 91 H VAL 14 H VAL 14 -12.262 0.523 21.238 92 HA VAL 14 HA VAL 14 -10.553 2.200 22.808 93 HB VAL 14 HB VAL 14 -9.310 2.639 20.797 94 HG11 VAL 14 HG11 VAL 14 -8.969 0.455 21.800 95 HG12 VAL 14 HG12 VAL 14 -8.815 0.359 20.046 96 HG13 VAL 14 HG13 VAL 14 -10.286 -0.212 20.834 97 HG21 VAL 14 HG21 VAL 14 -11.610 1.380 19.317 98 HG22 VAL 14 HG22 VAL 14 -10.069 1.855 18.601 99 HG23 VAL 14 HG23 VAL 14 -11.143 3.080 19.277 100 H LYS 15 H LYS 15 -13.422 2.688 21.004 101 HA LYS 15 HA LYS 15 -13.160 5.454 20.481 102 HB2 LYS 15 HB2 LYS 15 -14.789 4.204 19.269 103 HB3 LYS 15 HB3 LYS 15 -15.535 3.612 20.744 104 HG2 LYS 15 HG2 LYS 15 -15.532 6.538 20.355 105 HG3 LYS 15 HG3 LYS 15 -16.548 5.589 19.267 106 HD2 LYS 15 HD2 LYS 15 -17.477 4.461 21.328 107 HD3 LYS 15 HD3 LYS 15 -16.635 5.686 22.274 108 HE2 LYS 15 HE2 LYS 15 -17.903 7.436 21.311 109 HE3 LYS 15 HE3 LYS 15 -18.573 6.368 20.080 110 HZ1 LYS 15 HZ1 LYS 15 -19.769 5.180 21.791 111 HZ2 LYS 15 HZ2 LYS 15 -20.163 6.828 21.847 112 HZ3 LYS 15 HZ3 LYS 15 -19.104 6.169 22.998 113 H GLU 16 H GLU 16 -14.526 3.602 23.172 114 HA GLU 16 HA GLU 16 -15.235 5.816 24.788 115 HB2 GLU 16 HB2 GLU 16 -16.029 3.531 25.241 116 HB3 GLU 16 HB3 GLU 16 -14.381 3.028 25.596 117 HG2 GLU 16 HG2 GLU 16 -14.532 4.993 27.348 118 HG3 GLU 16 HG3 GLU 16 -16.258 4.660 27.209 119 H ASP 17 H ASP 17 -12.317 3.875 24.461 120 HA ASP 17 HA ASP 17 -10.772 4.993 26.500 121 HB2 ASP 17 HB2 ASP 17 -10.271 2.937 25.104 122 HB3 ASP 17 HB3 ASP 17 -9.736 4.023 23.829 123 H LEU 18 H LEU 18 -11.375 6.051 23.204 124 HA LEU 18 HA LEU 18 -9.495 8.187 23.188 125 HB2 LEU 18 HB2 LEU 18 -10.392 7.186 21.141 126 HB3 LEU 18 HB3 LEU 18 -11.996 7.760 21.549 127 HG LEU 18 HG LEU 18 -11.188 10.092 21.336 128 HD11 LEU 18 HD11 LEU 18 -8.835 9.708 21.844 129 HD12 LEU 18 HD12 LEU 18 -9.028 10.518 20.288 130 HD13 LEU 18 HD13 LEU 18 -8.654 8.795 20.346 131 HD21 LEU 18 HD21 LEU 18 -12.282 8.987 19.469 132 HD22 LEU 18 HD22 LEU 18 -10.734 8.334 18.931 133 HD23 LEU 18 HD23 LEU 18 -11.018 10.075 18.896 134 H LYS 19 H LYS 19 -12.918 7.941 24.022 135 HA LYS 19 HA LYS 19 -13.351 10.717 24.448 136 HB2 LYS 19 HB2 LYS 19 -14.804 8.214 24.976 137 HB3 LYS 19 HB3 LYS 19 -15.123 9.482 26.145 138 HG2 LYS 19 HG2 LYS 19 -16.790 9.778 24.579 139 HG3 LYS 19 HG3 LYS 19 -15.584 10.965 24.093 140 HD2 LYS 19 HD2 LYS 19 -15.610 8.224 22.884 141 HD3 LYS 19 HD3 LYS 19 -16.697 9.480 22.292 142 HE2 LYS 19 HE2 LYS 19 -14.751 10.928 21.863 143 HE3 LYS 19 HE3 LYS 19 -13.686 9.631 22.406 144 HZ1 LYS 19 HZ1 LYS 19 -14.410 8.266 20.597 145 HZ2 LYS 19 HZ2 LYS 19 -13.944 9.760 19.964 146 HZ3 LYS 19 HZ3 LYS 19 -15.585 9.390 20.133 147 H LYS 20 H LYS 20 -12.495 8.032 26.546 148 HA LYS 20 HA LYS 20 -12.631 9.285 29.020 149 HB2 LYS 20 HB2 LYS 20 -11.812 6.803 27.960 150 HB3 LYS 20 HB3 LYS 20 -10.483 7.384 28.955 151 HG2 LYS 20 HG2 LYS 20 -11.664 7.207 30.883 152 HG3 LYS 20 HG3 LYS 20 -13.207 7.553 30.099 153 HD2 LYS 20 HD2 LYS 20 -13.024 5.218 30.906 154 HD3 LYS 20 HD3 LYS 20 -13.292 5.336 29.169 155 HE2 LYS 20 HE2 LYS 20 -10.918 4.963 28.764 156 HE3 LYS 20 HE3 LYS 20 -10.621 4.886 30.500 157 HZ1 LYS 20 HZ1 LYS 20 -10.811 2.694 29.352 158 HZ2 LYS 20 HZ2 LYS 20 -12.457 3.031 29.081 159 HZ3 LYS 20 HZ3 LYS 20 -11.867 2.900 30.666 160 H PHE 21 H PHE 21 -9.998 9.182 26.687 161 HA PHE 21 HA PHE 21 -7.945 10.248 28.161 162 HB2 PHE 21 HB2 PHE 21 -7.648 9.335 25.921 163 HB3 PHE 21 HB3 PHE 21 -8.610 10.637 25.233 164 HD1 PHE 21 HD1 PHE 21 -6.333 11.416 27.922 165 HD2 PHE 21 HD2 PHE 21 -6.735 11.141 23.712 166 HE1 PHE 21 HE1 PHE 21 -4.338 12.765 27.641 167 HE2 PHE 21 HE2 PHE 21 -4.726 12.510 23.420 168 HZ PHE 21 HZ PHE 21 -3.513 13.331 25.393 169 H ARG 22 H ARG 22 -10.373 12.051 26.227 170 HA ARG 22 HA ARG 22 -9.187 14.536 27.099 171 HB2 ARG 22 HB2 ARG 22 -10.879 15.641 25.706 172 HB3 ARG 22 HB3 ARG 22 -9.984 14.419 24.818 173 HG2 ARG 22 HG2 ARG 22 -11.807 12.966 24.749 174 HG3 ARG 22 HG3 ARG 22 -12.649 13.818 26.047 175 HD2 ARG 22 HD2 ARG 22 -12.070 14.975 23.324 176 HD3 ARG 22 HD3 ARG 22 -13.604 14.242 23.795 177 HE ARG 22 HE ARG 22 -13.306 16.100 25.687 178 HH11 ARG 22 HH11 ARG 22 -12.924 16.332 22.204 179 HH12 ARG 22 HH12 ARG 22 -13.413 17.999 22.156 180 HH21 ARG 22 HH21 ARG 22 -13.935 18.292 25.596 181 HH22 ARG 22 HH22 ARG 22 -13.979 19.101 24.053 182 H PHE 23 H PHE 23 -11.961 12.598 27.997 183 HA PHE 23 HA PHE 23 -13.171 14.817 29.420 184 HB2 PHE 23 HB2 PHE 23 -13.987 11.938 29.074 185 HB3 PHE 23 HB3 PHE 23 -14.862 13.058 30.115 186 HD1 PHE 23 HD1 PHE 23 -15.256 15.441 28.823 187 HD2 PHE 23 HD2 PHE 23 -14.954 11.595 27.026 188 HE1 PHE 23 HE1 PHE 23 -16.552 16.246 26.891 189 HE2 PHE 23 HE2 PHE 23 -16.244 12.393 25.091 190 HZ PHE 23 HZ PHE 23 -17.046 14.721 25.021 191 H SER 24 H SER 24 -10.750 12.623 30.105 192 HA SER 24 HA SER 24 -10.908 13.350 32.917 193 HB2 SER 24 HB2 SER 24 -12.043 11.065 32.514 194 HB3 SER 24 HB3 SER 24 -10.417 10.460 32.206 195 HG SER 24 HG SER 24 -9.980 11.558 34.374 196 H LYS 25 H LYS 25 -9.143 14.688 32.053 197 HA LYS 25 HA LYS 25 -6.636 13.161 32.073 198 HB2 LYS 25 HB2 LYS 25 -5.663 14.922 30.577 199 HB3 LYS 25 HB3 LYS 25 -6.892 13.920 29.824 200 HG2 LYS 25 HG2 LYS 25 -7.523 15.965 29.063 201 HG3 LYS 25 HG3 LYS 25 -8.477 15.889 30.541 202 HD2 LYS 25 HD2 LYS 25 -7.539 18.027 30.589 203 HD3 LYS 25 HD3 LYS 25 -6.498 17.086 31.654 204 HE2 LYS 25 HE2 LYS 25 -5.844 17.483 28.748 205 HE3 LYS 25 HE3 LYS 25 -5.385 18.668 29.965 206 HZ1 LYS 25 HZ1 LYS 25 -4.518 15.831 29.820 207 HZ2 LYS 25 HZ2 LYS 25 -4.195 16.853 31.131 208 HZ3 LYS 25 HZ3 LYS 25 -3.559 17.207 29.604 209 H SER 26 H SER 26 -4.878 14.083 33.106 210 HA SER 26 HA SER 26 -5.532 15.791 35.318 211 HB2 SER 26 HB2 SER 26 -3.947 13.897 35.515 212 HB3 SER 26 HB3 SER 26 -2.858 14.707 34.393 213 HG SER 26 HG SER 26 -2.190 15.125 36.484 214 H THR 27 H THR 27 -3.777 17.591 35.808 215 HA THR 27 HA THR 27 -4.118 19.536 33.706 216 HB THR 27 HB THR 27 -2.842 21.019 35.384 217 HG1 THR 27 HG1 THR 27 -1.935 19.639 36.805 218 HG21 THR 27 HG21 THR 27 -5.476 19.791 36.207 219 HG22 THR 27 HG22 THR 27 -5.274 21.083 35.024 220 HG23 THR 27 HG23 THR 27 -4.854 21.363 36.714 221 H THR 28 H THR 28 -2.042 17.158 33.853 222 HA THR 28 HA THR 28 0.304 18.699 33.026 223 HB THR 28 HB THR 28 1.430 16.409 33.144 224 HG1 THR 28 HG1 THR 28 0.077 15.115 34.811 225 HG21 THR 28 HG21 THR 28 0.271 17.607 35.662 226 HG22 THR 28 HG22 THR 28 1.760 18.104 34.858 227 HG23 THR 28 HG23 THR 28 1.646 16.505 35.594 228 H MET 29 H MET 29 1.518 16.754 31.446 229 HA MET 29 HA MET 29 -0.149 17.011 29.055 230 HB2 MET 29 HB2 MET 29 2.822 16.705 29.447 231 HB3 MET 29 HB3 MET 29 2.067 16.444 27.883 232 HG2 MET 29 HG2 MET 29 2.926 18.649 27.921 233 HG3 MET 29 HG3 MET 29 1.172 18.755 27.994 234 HE1 MET 29 HE1 MET 29 3.235 21.128 28.681 235 HE2 MET 29 HE2 MET 29 2.455 21.833 30.098 236 HE3 MET 29 HE3 MET 29 1.481 21.328 28.717 237 H ASN 30 H ASN 30 -1.111 15.310 28.277 238 HA ASN 30 HA ASN 30 0.157 12.692 28.526 239 HB2 ASN 30 HB2 ASN 30 -2.012 11.643 29.078 240 HB3 ASN 30 HB3 ASN 30 -1.432 12.710 30.347 241 HD21 ASN 30 HD21 ASN 30 -4.067 11.772 29.992 242 HD22 ASN 30 HD22 ASN 30 -5.088 13.134 29.716 243 H ALA 31 H ALA 31 -0.891 11.102 26.993 244 HA ALA 31 HA ALA 31 -1.956 12.340 24.618 245 HB1 ALA 31 HB1 ALA 31 0.404 12.941 24.464 246 HB2 ALA 31 HB2 ALA 31 -0.045 11.790 23.204 247 HB3 ALA 31 HB3 ALA 31 0.852 11.242 24.621 248 H LEU 32 H LEU 32 -2.797 10.916 23.217 249 HA LEU 32 HA LEU 32 -2.569 8.058 23.887 250 HB2 LEU 32 HB2 LEU 32 -4.826 8.940 24.259 251 HB3 LEU 32 HB3 LEU 32 -4.867 9.561 22.621 252 HG LEU 32 HG LEU 32 -4.555 7.103 21.908 253 HD11 LEU 32 HD11 LEU 32 -5.459 5.461 23.460 254 HD12 LEU 32 HD12 LEU 32 -5.548 6.700 24.711 255 HD13 LEU 32 HD13 LEU 32 -3.980 6.200 24.076 256 HD21 LEU 32 HD21 LEU 32 -6.971 6.715 22.012 257 HD22 LEU 32 HD22 LEU 32 -6.586 8.363 21.516 258 HD23 LEU 32 HD23 LEU 32 -7.122 8.040 23.165 259 H ILE 33 H ILE 33 -1.243 7.136 22.469 260 HA ILE 33 HA ILE 33 -1.156 8.060 19.705 261 HB ILE 33 HB ILE 33 0.305 5.718 20.958 262 HG12 ILE 33 HG12 ILE 33 1.165 8.588 20.554 263 HG13 ILE 33 HG13 ILE 33 0.999 7.736 22.084 264 HG21 ILE 33 HG21 ILE 33 0.101 5.590 18.519 265 HG22 ILE 33 HG22 ILE 33 1.771 5.861 19.015 266 HG23 ILE 33 HG23 ILE 33 0.813 7.197 18.379 267 HD11 ILE 33 HD11 ILE 33 3.326 7.988 21.447 268 HD12 ILE 33 HD12 ILE 33 3.014 7.129 19.938 269 HD13 ILE 33 HD13 ILE 33 2.860 6.287 21.481 270 H LEU 34 H LEU 34 -2.034 6.900 17.991 271 HA LEU 34 HA LEU 34 -3.333 4.372 18.596 272 HB2 LEU 34 HB2 LEU 34 -5.473 5.172 17.536 273 HB3 LEU 34 HB3 LEU 34 -5.127 5.776 19.142 274 HG LEU 34 HG LEU 34 -4.412 7.423 16.757 275 HD11 LEU 34 HD11 LEU 34 -6.620 8.475 16.864 276 HD12 LEU 34 HD12 LEU 34 -7.125 7.292 18.071 277 HD13 LEU 34 HD13 LEU 34 -6.747 6.771 16.429 278 HD21 LEU 34 HD21 LEU 34 -4.805 9.264 18.304 279 HD22 LEU 34 HD22 LEU 34 -3.625 8.128 18.960 280 HD23 LEU 34 HD23 LEU 34 -5.286 8.118 19.555 281 H LYS 35 H LYS 35 -4.247 3.332 16.657 282 HA LYS 35 HA LYS 35 -2.597 3.939 14.299 283 HB2 LYS 35 HB2 LYS 35 -1.478 2.217 15.527 284 HB3 LYS 35 HB3 LYS 35 -2.976 1.337 15.765 285 HG2 LYS 35 HG2 LYS 35 -2.126 0.098 14.090 286 HG3 LYS 35 HG3 LYS 35 -2.928 1.331 13.119 287 HD2 LYS 35 HD2 LYS 35 -0.789 1.175 12.191 288 HD3 LYS 35 HD3 LYS 35 -0.705 2.595 13.237 289 HE2 LYS 35 HE2 LYS 35 1.261 1.312 13.609 290 HE3 LYS 35 HE3 LYS 35 0.232 1.117 15.022 291 HZ1 LYS 35 HZ1 LYS 35 1.189 -0.995 14.301 292 HZ2 LYS 35 HZ2 LYS 35 0.459 -0.829 12.783 293 HZ3 LYS 35 HZ3 LYS 35 -0.502 -1.020 14.169 294 H ILE 36 H ILE 36 -3.592 3.675 12.353 295 HA ILE 36 HA ILE 36 -6.283 2.503 12.255 296 HB ILE 36 HB ILE 36 -4.719 4.037 10.156 297 HG12 ILE 36 HG12 ILE 36 -7.310 4.918 11.395 298 HG13 ILE 36 HG13 ILE 36 -5.789 5.253 12.198 299 HG21 ILE 36 HG21 ILE 36 -7.512 2.897 10.037 300 HG22 ILE 36 HG22 ILE 36 -6.121 2.393 9.075 301 HG23 ILE 36 HG23 ILE 36 -6.818 3.998 8.847 302 HD11 ILE 36 HD11 ILE 36 -6.532 7.132 10.864 303 HD12 ILE 36 HD12 ILE 36 -6.509 6.116 9.422 304 HD13 ILE 36 HD13 ILE 36 -5.007 6.478 10.271 305 H ASP 37 H ASP 37 -6.498 0.425 11.561 306 HA ASP 37 HA ASP 37 -4.267 -0.719 10.010 307 HB2 ASP 37 HB2 ASP 37 -4.887 -1.822 12.203 308 HB3 ASP 37 HB3 ASP 37 -6.425 -2.259 11.463 309 H ARG 38 H ARG 38 -4.628 -1.482 7.986 310 HA ARG 38 HA ARG 38 -7.151 -0.676 6.795 311 HB2 ARG 38 HB2 ARG 38 -6.053 -0.962 4.660 312 HB3 ARG 38 HB3 ARG 38 -4.997 -0.055 5.734 313 HG2 ARG 38 HG2 ARG 38 -3.655 -2.000 6.144 314 HG3 ARG 38 HG3 ARG 38 -4.768 -3.009 5.221 315 HD2 ARG 38 HD2 ARG 38 -4.245 -1.569 3.226 316 HD3 ARG 38 HD3 ARG 38 -2.969 -0.824 4.195 317 HE ARG 38 HE ARG 38 -2.917 -3.727 4.028 318 HH11 ARG 38 HH11 ARG 38 -1.714 -0.697 2.731 319 HH12 ARG 38 HH12 ARG 38 -0.277 -1.395 2.063 320 HH21 ARG 38 HH21 ARG 38 -1.042 -4.655 3.162 321 HH22 ARG 38 HH22 ARG 38 0.121 -3.675 2.332 322 H GLU 39 H GLU 39 -5.529 -3.595 7.722 323 HA GLU 39 HA GLU 39 -7.181 -5.270 6.027 324 HB2 GLU 39 HB2 GLU 39 -4.825 -5.651 7.732 325 HB3 GLU 39 HB3 GLU 39 -5.980 -6.974 7.817 326 HG2 GLU 39 HG2 GLU 39 -4.226 -7.324 6.125 327 HG3 GLU 39 HG3 GLU 39 -5.850 -7.317 5.443 328 H SER 40 H SER 40 -6.839 -4.543 9.474 329 HA SER 40 HA SER 40 -9.170 -6.060 10.196 330 HB2 SER 40 HB2 SER 40 -7.671 -3.935 11.753 331 HB3 SER 40 HB3 SER 40 -8.861 -5.055 12.416 332 HG SER 40 HG SER 40 -6.837 -5.882 12.819 333 H HIS 41 H HIS 41 -8.560 -2.922 8.963 334 HA HIS 41 HA HIS 41 -9.917 -1.239 8.262 335 HB2 HIS 41 HB2 HIS 41 -11.239 -3.223 7.424 336 HB3 HIS 41 HB3 HIS 41 -12.230 -3.097 8.868 337 HD1 HIS 41 HD1 HIS 41 -13.925 -1.106 8.968 338 HD2 HIS 41 HD2 HIS 41 -11.737 -1.333 5.435 339 HE1 HIS 41 HE1 HIS 41 -15.115 0.387 7.333 340 HE2 HIS 41 HE2 HIS 41 -13.681 0.364 5.259 341 H GLU 42 H GLU 42 -9.258 -1.712 11.158 342 HA GLU 42 HA GLU 42 -11.329 0.028 12.287 343 HB2 GLU 42 HB2 GLU 42 -11.214 -1.165 14.414 344 HB3 GLU 42 HB3 GLU 42 -11.734 -2.232 13.119 345 HG2 GLU 42 HG2 GLU 42 -9.475 -3.160 12.987 346 HG3 GLU 42 HG3 GLU 42 -8.969 -2.096 14.298 347 H LEU 43 H LEU 43 -10.666 1.475 13.846 348 HA LEU 43 HA LEU 43 -7.791 2.008 13.901 349 HB2 LEU 43 HB2 LEU 43 -9.301 3.837 13.237 350 HB3 LEU 43 HB3 LEU 43 -10.158 3.688 14.756 351 HG LEU 43 HG LEU 43 -7.232 4.340 14.785 352 HD11 LEU 43 HD11 LEU 43 -8.210 5.894 13.179 353 HD12 LEU 43 HD12 LEU 43 -7.795 6.720 14.681 354 HD13 LEU 43 HD13 LEU 43 -9.475 6.309 14.335 355 HD21 LEU 43 HD21 LEU 43 -7.854 5.514 16.831 356 HD22 LEU 43 HD22 LEU 43 -8.394 3.836 16.890 357 HD23 LEU 43 HD23 LEU 43 -9.551 5.123 16.553 358 H GLN 44 H GLN 44 -6.616 1.626 15.697 359 HA GLN 44 HA GLN 44 -8.083 0.987 18.175 360 HB2 GLN 44 HB2 GLN 44 -5.563 -0.351 17.170 361 HB3 GLN 44 HB3 GLN 44 -6.414 -0.729 18.661 362 HG2 GLN 44 HG2 GLN 44 -8.362 -1.445 17.338 363 HG3 GLN 44 HG3 GLN 44 -7.450 -1.124 15.863 364 HE21 GLN 44 HE21 GLN 44 -8.588 -3.623 16.772 365 HE22 GLN 44 HE22 GLN 44 -7.267 -4.738 16.930 366 H SER 45 H SER 45 -7.144 1.711 20.104 367 HA SER 45 HA SER 45 -5.261 3.865 19.792 368 HB2 SER 45 HB2 SER 45 -5.523 3.958 22.355 369 HB3 SER 45 HB3 SER 45 -6.933 4.335 21.369 370 HG SER 45 HG SER 45 -7.267 2.855 23.184 371 H GLU 46 H GLU 46 -3.225 3.330 19.414 372 HA GLU 46 HA GLU 46 -1.788 1.113 20.109 373 HB2 GLU 46 HB2 GLU 46 -0.849 3.978 19.898 374 HB3 GLU 46 HB3 GLU 46 0.241 2.609 20.035 375 HG2 GLU 46 HG2 GLU 46 -1.786 2.780 17.838 376 HG3 GLU 46 HG3 GLU 46 -0.214 3.567 17.717 377 H GLN 47 H GLN 47 -1.859 4.173 22.005 378 HA GLN 47 HA GLN 47 -1.731 2.774 24.499 379 HB2 GLN 47 HB2 GLN 47 0.515 3.419 25.203 380 HB3 GLN 47 HB3 GLN 47 0.582 2.388 23.781 381 HG2 GLN 47 HG2 GLN 47 0.923 4.355 22.371 382 HG3 GLN 47 HG3 GLN 47 0.856 5.387 23.797 383 HE21 GLN 47 HE21 GLN 47 2.335 3.432 25.425 384 HE22 GLN 47 HE22 GLN 47 3.988 3.561 24.922 385 H LEU 48 H LEU 48 -1.891 4.110 26.306 386 HA LEU 48 HA LEU 48 -2.074 7.011 25.796 387 HB2 LEU 48 HB2 LEU 48 -4.323 6.069 25.969 388 HB3 LEU 48 HB3 LEU 48 -3.911 5.316 27.494 389 HG LEU 48 HG LEU 48 -3.589 7.589 28.460 390 HD11 LEU 48 HD11 LEU 48 -3.153 8.799 26.396 391 HD12 LEU 48 HD12 LEU 48 -4.499 9.508 27.290 392 HD13 LEU 48 HD13 LEU 48 -4.813 8.504 25.875 393 HD21 LEU 48 HD21 LEU 48 -5.962 8.068 28.692 394 HD22 LEU 48 HD22 LEU 48 -5.666 6.331 28.778 395 HD23 LEU 48 HD23 LEU 48 -6.314 7.044 27.301 396 H LEU 49 H LEU 49 -0.652 8.093 27.026 397 HA LEU 49 HA LEU 49 -0.083 7.068 29.710 398 HB2 LEU 49 HB2 LEU 49 2.296 7.533 29.492 399 HB3 LEU 49 HB3 LEU 49 1.767 6.319 28.360 400 HG LEU 49 HG LEU 49 2.235 9.195 27.591 401 HD11 LEU 49 HD11 LEU 49 4.082 6.822 27.353 402 HD12 LEU 49 HD12 LEU 49 4.307 8.215 28.412 403 HD13 LEU 49 HD13 LEU 49 4.363 8.421 26.661 404 HD21 LEU 49 HD21 LEU 49 2.012 6.689 25.924 405 HD22 LEU 49 HD22 LEU 49 2.316 8.320 25.325 406 HD23 LEU 49 HD23 LEU 49 0.769 7.931 26.079 407 H ASN 50 H ASN 50 0.566 8.597 31.249 408 HA ASN 50 HA ASN 50 -0.156 11.362 30.524 409 HB2 ASN 50 HB2 ASN 50 -2.015 10.406 31.709 410 HB3 ASN 50 HB3 ASN 50 -0.959 9.764 32.960 411 HD21 ASN 50 HD21 ASN 50 -0.274 11.090 34.608 412 HD22 ASN 50 HD22 ASN 50 -0.894 12.696 34.840 413 H ASP 51 H ASP 51 0.840 13.029 31.624 414 HA ASP 51 HA ASP 51 2.288 14.182 32.918 415 HB2 ASP 51 HB2 ASP 51 1.481 12.324 34.630 416 HB3 ASP 51 HB3 ASP 51 3.147 11.780 34.468 417 H CYS 52 H CYS 52 3.042 12.353 30.585 418 HA CYS 52 HA CYS 52 5.921 12.186 31.047 419 HB2 CYS 52 HB2 CYS 52 4.251 11.222 28.715 420 HB3 CYS 52 HB3 CYS 52 5.975 10.932 28.929 421 HG CYS 52 HG CYS 52 5.785 8.866 30.475 422 H SER 53 H SER 53 7.101 12.680 28.778 423 HA SER 53 HA SER 53 6.383 15.474 28.190 424 HB2 SER 53 HB2 SER 53 8.893 15.568 27.525 425 HB3 SER 53 HB3 SER 53 8.469 15.552 29.236 426 HG SER 53 HG SER 53 8.760 13.176 29.057 427 H ILE 54 H ILE 54 7.307 16.212 25.979 428 HA ILE 54 HA ILE 54 5.802 14.980 24.013 429 HB ILE 54 HB ILE 54 6.480 17.234 23.691 430 HG12 ILE 54 HG12 ILE 54 7.543 17.135 21.395 431 HG13 ILE 54 HG13 ILE 54 7.732 15.407 21.636 432 HG21 ILE 54 HG21 ILE 54 8.796 17.908 23.291 433 HG22 ILE 54 HG22 ILE 54 9.323 16.252 23.594 434 HG23 ILE 54 HG23 ILE 54 8.583 17.192 24.889 435 HD11 ILE 54 HD11 ILE 54 5.131 16.914 21.591 436 HD12 ILE 54 HD12 ILE 54 5.310 15.179 21.857 437 HD13 ILE 54 HD13 ILE 54 5.771 15.887 20.308 438 H GLU 55 H GLU 55 9.350 14.635 24.490 439 HA GLU 55 HA GLU 55 9.597 12.802 22.317 440 HB2 GLU 55 HB2 GLU 55 11.450 13.394 24.622 441 HB3 GLU 55 HB3 GLU 55 11.850 12.312 23.293 442 HG2 GLU 55 HG2 GLU 55 11.231 14.376 21.822 443 HG3 GLU 55 HG3 GLU 55 11.553 15.270 23.309 444 H GLU 56 H GLU 56 8.809 12.524 25.651 445 HA GLU 56 HA GLU 56 9.353 9.773 25.989 446 HB2 GLU 56 HB2 GLU 56 8.486 11.869 27.580 447 HB3 GLU 56 HB3 GLU 56 7.106 10.781 27.542 448 HG2 GLU 56 HG2 GLU 56 8.381 8.999 28.436 449 HG3 GLU 56 HG3 GLU 56 9.889 9.891 28.228 450 H PHE 57 H PHE 57 6.684 11.556 24.594 451 HA PHE 57 HA PHE 57 4.997 9.222 24.379 452 HB2 PHE 57 HB2 PHE 57 4.759 11.908 23.005 453 HB3 PHE 57 HB3 PHE 57 3.525 10.656 23.036 454 HD1 PHE 57 HD1 PHE 57 3.032 9.860 25.610 455 HD2 PHE 57 HD2 PHE 57 4.364 13.694 24.351 456 HE1 PHE 57 HE1 PHE 57 2.073 10.857 27.645 457 HE2 PHE 57 HE2 PHE 57 3.416 14.697 26.388 458 HZ PHE 57 HZ PHE 57 2.268 13.279 28.037 459 H LYS 58 H LYS 58 6.785 11.286 22.085 460 HA LYS 58 HA LYS 58 5.992 9.748 19.834 461 HB2 LYS 58 HB2 LYS 58 7.534 11.186 18.561 462 HB3 LYS 58 HB3 LYS 58 6.487 12.112 19.616 463 HG2 LYS 58 HG2 LYS 58 8.425 13.178 20.044 464 HG3 LYS 58 HG3 LYS 58 8.572 11.895 21.243 465 HD2 LYS 58 HD2 LYS 58 9.986 10.611 19.724 466 HD3 LYS 58 HD3 LYS 58 9.798 11.851 18.479 467 HE2 LYS 58 HE2 LYS 58 10.835 13.489 19.998 468 HE3 LYS 58 HE3 LYS 58 11.081 12.210 21.182 469 HZ1 LYS 58 HZ1 LYS 58 12.581 11.108 19.698 470 HZ2 LYS 58 HZ2 LYS 58 13.064 12.724 19.847 471 HZ3 LYS 58 HZ3 LYS 58 12.247 12.211 18.450 472 H GLU 59 H GLU 59 8.800 9.609 21.931 473 HA GLU 59 HA GLU 59 10.157 7.839 20.036 474 HB2 GLU 59 HB2 GLU 59 11.246 9.855 21.264 475 HB3 GLU 59 HB3 GLU 59 11.337 8.760 22.635 476 HG2 GLU 59 HG2 GLU 59 12.803 7.317 21.535 477 HG3 GLU 59 HG3 GLU 59 12.435 8.007 19.954 478 H GLU 60 H GLU 60 7.885 7.430 22.245 479 HA GLU 60 HA GLU 60 8.782 5.488 24.045 480 HB2 GLU 60 HB2 GLU 60 6.350 6.696 23.396 481 HB3 GLU 60 HB3 GLU 60 6.076 4.985 23.105 482 HG2 GLU 60 HG2 GLU 60 7.192 6.089 25.668 483 HG3 GLU 60 HG3 GLU 60 5.479 5.792 25.388 484 H LEU 61 H LEU 61 7.417 5.143 20.790 485 HA LEU 61 HA LEU 61 8.705 2.504 20.638 486 HB2 LEU 61 HB2 LEU 61 5.920 3.238 19.771 487 HB3 LEU 61 HB3 LEU 61 6.776 1.901 19.035 488 HG LEU 61 HG LEU 61 7.005 0.972 21.425 489 HD11 LEU 61 HD11 LEU 61 4.802 2.982 21.853 490 HD12 LEU 61 HD12 LEU 61 6.372 2.948 22.657 491 HD13 LEU 61 HD13 LEU 61 5.202 1.661 22.950 492 HD21 LEU 61 HD21 LEU 61 4.301 1.139 20.098 493 HD22 LEU 61 HD22 LEU 61 4.789 -0.061 21.295 494 HD23 LEU 61 HD23 LEU 61 5.581 -0.015 19.720 495 HA PRO 62 HA PRO 62 10.369 4.229 16.817 496 HB2 PRO 62 HB2 PRO 62 10.973 1.402 16.226 497 HB3 PRO 62 HB3 PRO 62 12.069 2.783 16.327 498 HG2 PRO 62 HG2 PRO 62 12.039 0.879 18.217 499 HG3 PRO 62 HG3 PRO 62 12.322 2.583 18.617 500 HD2 PRO 62 HD2 PRO 62 9.824 0.954 18.914 501 HD3 PRO 62 HD3 PRO 62 10.525 2.154 20.022 502 H SER 63 H SER 63 8.643 4.791 15.604 503 HA SER 63 HA SER 63 6.498 3.033 15.059 504 HB2 SER 63 HB2 SER 63 7.119 5.736 13.856 505 HB3 SER 63 HB3 SER 63 5.562 4.910 13.798 506 HG SER 63 HG SER 63 5.608 6.411 15.503 507 H GLN 64 H GLN 64 9.044 4.382 12.962 508 HA GLN 64 HA GLN 64 9.527 4.150 10.762 509 HB2 GLN 64 HB2 GLN 64 10.131 1.999 10.050 510 HB3 GLN 64 HB3 GLN 64 10.320 1.956 11.793 511 HG2 GLN 64 HG2 GLN 64 8.297 0.703 12.046 512 HG3 GLN 64 HG3 GLN 64 7.915 0.889 10.334 513 HE21 GLN 64 HE21 GLN 64 7.849 -1.304 9.933 514 HE22 GLN 64 HE22 GLN 64 9.269 -2.297 9.942 515 H GLN 65 H GLN 65 6.741 4.668 11.459 516 HA GLN 65 HA GLN 65 5.460 4.111 8.925 517 HB2 GLN 65 HB2 GLN 65 4.231 3.165 11.533 518 HB3 GLN 65 HB3 GLN 65 3.432 3.158 9.971 519 HG2 GLN 65 HG2 GLN 65 4.985 1.491 9.153 520 HG3 GLN 65 HG3 GLN 65 5.871 1.541 10.678 521 HE21 GLN 65 HE21 GLN 65 4.567 -0.721 9.418 522 HE22 GLN 65 HE22 GLN 65 3.378 -1.287 10.543 523 HA PRO 66 HA PRO 66 3.554 7.978 10.111 524 HB2 PRO 66 HB2 PRO 66 1.232 7.877 8.694 525 HB3 PRO 66 HB3 PRO 66 2.799 8.233 7.958 526 HG2 PRO 66 HG2 PRO 66 1.247 5.688 7.977 527 HG3 PRO 66 HG3 PRO 66 2.226 6.397 6.682 528 HD2 PRO 66 HD2 PRO 66 3.070 4.351 8.298 529 HD3 PRO 66 HD3 PRO 66 4.164 5.491 7.492 530 H ARG 67 H ARG 67 3.309 7.129 12.306 531 HA ARG 67 HA ARG 67 0.567 6.280 12.950 532 HB2 ARG 67 HB2 ARG 67 2.984 6.315 14.772 533 HB3 ARG 67 HB3 ARG 67 1.421 5.592 15.116 534 HG2 ARG 67 HG2 ARG 67 1.807 4.008 13.241 535 HG3 ARG 67 HG3 ARG 67 3.433 4.676 13.076 536 HD2 ARG 67 HD2 ARG 67 3.711 4.120 15.558 537 HD3 ARG 67 HD3 ARG 67 2.261 3.133 15.370 538 HE ARG 67 HE ARG 67 4.384 2.634 13.463 539 HH11 ARG 67 HH11 ARG 67 2.768 1.614 16.410 540 HH12 ARG 67 HH12 ARG 67 3.599 0.090 16.464 541 HH21 ARG 67 HH21 ARG 67 5.461 0.646 13.550 542 HH22 ARG 67 HH22 ARG 67 5.129 -0.465 14.849 543 H PHE 68 H PHE 68 -0.513 7.382 14.782 544 HA PHE 68 HA PHE 68 0.451 10.148 14.943 545 HB2 PHE 68 HB2 PHE 68 -2.014 10.832 14.956 546 HB3 PHE 68 HB3 PHE 68 -1.274 10.403 13.426 547 HD1 PHE 68 HD1 PHE 68 -1.552 7.764 12.862 548 HD2 PHE 68 HD2 PHE 68 -4.127 10.096 15.320 549 HE1 PHE 68 HE1 PHE 68 -3.400 6.207 12.400 550 HE2 PHE 68 HE2 PHE 68 -5.970 8.539 14.866 551 HZ PHE 68 HZ PHE 68 -5.611 6.593 13.410 552 H ILE 69 H ILE 69 0.503 11.095 16.770 553 HA ILE 69 HA ILE 69 -0.618 9.720 19.112 554 HB ILE 69 HB ILE 69 1.724 9.593 19.307 555 HG12 ILE 69 HG12 ILE 69 0.332 10.805 21.248 556 HG13 ILE 69 HG13 ILE 69 2.059 10.494 21.377 557 HG21 ILE 69 HG21 ILE 69 2.340 11.121 17.533 558 HG22 ILE 69 HG22 ILE 69 3.258 11.470 18.997 559 HG23 ILE 69 HG23 ILE 69 1.902 12.501 18.543 560 HD11 ILE 69 HD11 ILE 69 0.803 13.096 20.518 561 HD12 ILE 69 HD12 ILE 69 2.530 12.784 20.702 562 HD13 ILE 69 HD13 ILE 69 1.472 12.745 22.113 563 H LEU 70 H LEU 70 -2.213 10.754 20.080 564 HA LEU 70 HA LEU 70 -2.633 13.584 19.467 565 HB2 LEU 70 HB2 LEU 70 -4.437 11.802 19.174 566 HB3 LEU 70 HB3 LEU 70 -4.505 11.713 20.921 567 HG LEU 70 HG LEU 70 -4.943 14.331 19.514 568 HD11 LEU 70 HD11 LEU 70 -7.022 12.224 20.090 569 HD12 LEU 70 HD12 LEU 70 -6.464 12.713 18.489 570 HD13 LEU 70 HD13 LEU 70 -7.332 13.860 19.509 571 HD21 LEU 70 HD21 LEU 70 -6.260 14.815 21.499 572 HD22 LEU 70 HD22 LEU 70 -4.621 14.340 21.945 573 HD23 LEU 70 HD23 LEU 70 -5.950 13.193 22.119 574 H LEU 71 H LEU 71 -1.670 14.932 20.824 575 HA LEU 71 HA LEU 71 -1.414 14.176 23.665 576 HB2 LEU 71 HB2 LEU 71 0.725 14.475 22.588 577 HB3 LEU 71 HB3 LEU 71 0.229 16.014 21.921 578 HG LEU 71 HG LEU 71 0.428 15.665 24.898 579 HD11 LEU 71 HD11 LEU 71 2.750 16.410 24.778 580 HD12 LEU 71 HD12 LEU 71 2.688 16.348 23.017 581 HD13 LEU 71 HD13 LEU 71 2.546 14.863 23.956 582 HD21 LEU 71 HD21 LEU 71 0.846 18.019 23.052 583 HD22 LEU 71 HD22 LEU 71 0.940 18.053 24.812 584 HD23 LEU 71 HD23 LEU 71 -0.597 17.713 24.019 585 H SER 72 H SER 72 -2.270 15.455 25.220 586 HA SER 72 HA SER 72 -3.581 17.941 24.339 587 HB2 SER 72 HB2 SER 72 -5.163 16.216 25.161 588 HB3 SER 72 HB3 SER 72 -4.285 16.151 26.688 589 HG SER 72 HG SER 72 -5.307 18.603 25.737 590 H TRP 73 H TRP 73 -2.489 19.682 24.971 591 HA TRP 73 HA TRP 73 -0.883 19.436 27.413 592 HB2 TRP 73 HB2 TRP 73 0.665 20.972 26.575 593 HB3 TRP 73 HB3 TRP 73 0.256 19.988 25.182 594 HD1 TRP 73 HD1 TRP 73 0.903 23.412 26.009 595 HE1 TRP 73 HE1 TRP 73 -0.125 25.047 24.309 596 HE3 TRP 73 HE3 TRP 73 -2.359 20.241 23.665 597 HZ2 TRP 73 HZ2 TRP 73 -2.048 25.015 22.272 598 HZ3 TRP 73 HZ3 TRP 73 -3.757 21.136 21.850 599 HH2 TRP 73 HH2 TRP 73 -3.604 23.470 21.171 600 H CYS 74 H CYS 74 -1.225 20.710 29.090 601 HA CYS 74 HA CYS 74 -3.659 22.128 29.299 602 HB2 CYS 74 HB2 CYS 74 -2.736 22.842 31.524 603 HB3 CYS 74 HB3 CYS 74 -2.722 21.100 31.256 604 HG CYS 74 HG CYS 74 0.034 23.050 30.742 605 H LYS 75 H LYS 75 -3.771 23.728 27.801 606 HA LYS 75 HA LYS 75 -2.007 26.038 28.269 607 HB2 LYS 75 HB2 LYS 75 -1.855 24.943 25.962 608 HB3 LYS 75 HB3 LYS 75 -3.512 25.468 25.704 609 HG2 LYS 75 HG2 LYS 75 -1.381 27.432 26.458 610 HG3 LYS 75 HG3 LYS 75 -1.586 26.908 24.789 611 HD2 LYS 75 HD2 LYS 75 -3.977 27.856 26.287 612 HD3 LYS 75 HD3 LYS 75 -2.811 29.052 25.723 613 HE2 LYS 75 HE2 LYS 75 -4.090 26.970 23.955 614 HE3 LYS 75 HE3 LYS 75 -4.703 28.613 24.147 615 HZ1 LYS 75 HZ1 LYS 75 -2.089 27.780 22.996 616 HZ2 LYS 75 HZ2 LYS 75 -2.457 29.384 23.402 617 HZ3 LYS 75 HZ3 LYS 75 -3.360 28.591 22.210 618 H LYS 76 H LYS 76 -3.085 27.524 29.391 619 HA LYS 76 HA LYS 76 -5.945 27.359 29.522 620 HB2 LYS 76 HB2 LYS 76 -5.856 28.900 31.292 621 HB3 LYS 76 HB3 LYS 76 -4.444 27.878 31.487 622 HG2 LYS 76 HG2 LYS 76 -3.082 29.662 30.446 623 HG3 LYS 76 HG3 LYS 76 -4.514 30.691 30.427 624 HD2 LYS 76 HD2 LYS 76 -2.963 29.646 32.773 625 HD3 LYS 76 HD3 LYS 76 -3.408 31.311 32.391 626 HE2 LYS 76 HE2 LYS 76 -5.830 30.528 32.706 627 HE3 LYS 76 HE3 LYS 76 -5.133 29.104 33.470 628 HZ1 LYS 76 HZ1 LYS 76 -3.922 30.669 34.975 629 HZ2 LYS 76 HZ2 LYS 76 -5.605 30.641 35.180 630 HZ3 LYS 76 HZ3 LYS 76 -4.875 31.923 34.342 631 H HIS 77 H HIS 77 -7.289 28.278 28.277 632 HA HIS 77 HA HIS 77 -6.767 29.894 26.105 633 HB2 HIS 77 HB2 HIS 77 -8.882 28.590 26.702 634 HB3 HIS 77 HB3 HIS 77 -9.320 29.945 27.729 635 HD1 HIS 77 HD1 HIS 77 -8.665 29.186 24.055 636 HD2 HIS 77 HD2 HIS 77 -10.674 31.921 26.461 637 HE1 HIS 77 HE1 HIS 77 -10.044 30.587 22.491 638 HE2 HIS 77 HE2 HIS 77 -11.079 32.363 23.948 639 H SER 78 H SER 78 -6.574 32.068 25.796 640 HA SER 78 HA SER 78 -5.562 33.572 27.953 641 HB2 SER 78 HB2 SER 78 -6.370 34.504 25.191 642 HB3 SER 78 HB3 SER 78 -5.332 35.384 26.313 643 HG SER 78 HG SER 78 -3.938 33.483 26.249 644 H ASP 79 H ASP 79 -8.695 32.909 27.352 645 HA ASP 79 HA ASP 79 -9.855 35.432 28.155 646 HB2 ASP 79 HB2 ASP 79 -10.998 33.743 26.667 647 HB3 ASP 79 HB3 ASP 79 -11.141 32.694 28.071 648 H GLU 80 H GLU 80 -7.972 33.383 29.697 649 HA GLU 80 HA GLU 80 -7.329 33.286 31.867 650 HB2 GLU 80 HB2 GLU 80 -9.855 34.820 32.469 651 HB3 GLU 80 HB3 GLU 80 -8.616 34.419 33.648 652 HG2 GLU 80 HG2 GLU 80 -6.998 35.755 32.426 653 HG3 GLU 80 HG3 GLU 80 -8.219 36.133 31.208 654 H ARG 81 H ARG 81 -8.239 31.066 30.855 655 HA ARG 81 HA ARG 81 -9.034 29.716 33.241 656 HB2 ARG 81 HB2 ARG 81 -11.008 28.581 32.418 657 HB3 ARG 81 HB3 ARG 81 -11.274 30.316 32.335 658 HG2 ARG 81 HG2 ARG 81 -10.186 29.136 29.882 659 HG3 ARG 81 HG3 ARG 81 -11.791 28.559 30.329 660 HD2 ARG 81 HD2 ARG 81 -11.004 31.458 30.082 661 HD3 ARG 81 HD3 ARG 81 -11.834 30.530 28.833 662 HE ARG 81 HE ARG 81 -12.975 31.041 31.510 663 HH11 ARG 81 HH11 ARG 81 -13.293 30.781 28.030 664 HH12 ARG 81 HH12 ARG 81 -14.995 31.115 28.028 665 HH21 ARG 81 HH21 ARG 81 -15.226 31.426 31.523 666 HH22 ARG 81 HH22 ARG 81 -16.104 31.450 30.018 667 H ILE 82 H ILE 82 -8.312 27.610 33.252 668 HA ILE 82 HA ILE 82 -6.527 26.960 31.081 669 HB ILE 82 HB ILE 82 -5.805 26.530 33.374 670 HG12 ILE 82 HG12 ILE 82 -6.139 24.027 31.723 671 HG13 ILE 82 HG13 ILE 82 -4.855 25.212 31.551 672 HG21 ILE 82 HG21 ILE 82 -7.940 25.959 34.389 673 HG22 ILE 82 HG22 ILE 82 -6.759 24.681 34.676 674 HG23 ILE 82 HG23 ILE 82 -8.007 24.469 33.448 675 HD11 ILE 82 HD11 ILE 82 -4.022 24.660 33.762 676 HD12 ILE 82 HD12 ILE 82 -4.101 23.225 32.739 677 HD13 ILE 82 HD13 ILE 82 -5.330 23.496 33.975 678 H SER 83 H SER 83 -6.848 25.578 29.478 679 HA SER 83 HA SER 83 -9.386 24.087 29.468 680 HB2 SER 83 HB2 SER 83 -7.881 25.286 27.128 681 HB3 SER 83 HB3 SER 83 -9.403 24.405 27.034 682 HG SER 83 HG SER 83 -9.848 26.240 28.794 683 H TYR 84 H TYR 84 -9.307 22.197 27.872 684 HA TYR 84 HA TYR 84 -6.637 20.986 27.909 685 HB2 TYR 84 HB2 TYR 84 -7.698 18.770 28.034 686 HB3 TYR 84 HB3 TYR 84 -8.107 19.770 29.417 687 HD1 TYR 84 HD1 TYR 84 -9.361 17.807 26.696 688 HD2 TYR 84 HD2 TYR 84 -10.433 20.837 29.484 689 HE1 TYR 84 HE1 TYR 84 -11.731 17.316 26.303 690 HE2 TYR 84 HE2 TYR 84 -12.816 20.353 29.094 691 HH TYR 84 HH TYR 84 -14.288 19.291 27.687 692 HA PRO 85 HA PRO 85 -7.743 21.211 23.475 693 HB2 PRO 85 HB2 PRO 85 -5.268 22.541 22.960 694 HB3 PRO 85 HB3 PRO 85 -6.891 23.222 22.865 695 HG2 PRO 85 HG2 PRO 85 -4.961 23.955 24.717 696 HG3 PRO 85 HG3 PRO 85 -6.702 24.235 24.888 697 HD2 PRO 85 HD2 PRO 85 -4.999 22.089 26.081 698 HD3 PRO 85 HD3 PRO 85 -6.378 22.963 26.785 699 H MET 86 H MET 86 -6.736 19.972 21.795 700 HA MET 86 HA MET 86 -4.225 18.681 22.411 701 HB2 MET 86 HB2 MET 86 -5.458 16.400 21.881 702 HB3 MET 86 HB3 MET 86 -5.296 17.022 23.514 703 HG2 MET 86 HG2 MET 86 -7.514 16.229 23.215 704 HG3 MET 86 HG3 MET 86 -7.560 17.985 23.325 705 HE1 MET 86 HE1 MET 86 -10.006 18.095 22.367 706 HE2 MET 86 HE2 MET 86 -10.023 16.332 22.327 707 HE3 MET 86 HE3 MET 86 -10.525 17.251 20.907 708 H LEU 87 H LEU 87 -3.176 17.794 20.722 709 HA LEU 87 HA LEU 87 -4.533 17.875 18.135 710 HB2 LEU 87 HB2 LEU 87 -2.300 18.490 17.111 711 HB3 LEU 87 HB3 LEU 87 -3.162 19.745 17.960 712 HG LEU 87 HG LEU 87 -0.717 19.830 18.275 713 HD11 LEU 87 HD11 LEU 87 -2.172 20.821 19.929 714 HD12 LEU 87 HD12 LEU 87 -0.730 20.139 20.686 715 HD13 LEU 87 HD13 LEU 87 -2.269 19.283 20.787 716 HD21 LEU 87 HD21 LEU 87 -0.204 17.469 18.240 717 HD22 LEU 87 HD22 LEU 87 -1.084 17.237 19.750 718 HD23 LEU 87 HD23 LEU 87 0.387 18.212 19.727 719 H LEU 88 H LEU 88 -3.855 16.342 16.579 720 HA LEU 88 HA LEU 88 -2.439 14.074 17.793 721 HB2 LEU 88 HB2 LEU 88 -3.528 12.627 16.195 722 HB3 LEU 88 HB3 LEU 88 -4.727 13.575 17.047 723 HG LEU 88 HG LEU 88 -4.285 15.080 14.790 724 HD11 LEU 88 HD11 LEU 88 -4.221 12.171 14.002 725 HD12 LEU 88 HD12 LEU 88 -2.908 13.331 13.797 726 HD13 LEU 88 HD13 LEU 88 -4.415 13.538 12.904 727 HD21 LEU 88 HD21 LEU 88 -6.467 14.229 14.068 728 HD22 LEU 88 HD22 LEU 88 -6.444 14.590 15.794 729 HD23 LEU 88 HD23 LEU 88 -6.339 12.919 15.241 730 H ILE 89 H ILE 89 -0.406 13.886 17.235 731 HA ILE 89 HA ILE 89 0.501 15.188 14.781 732 HB ILE 89 HB ILE 89 2.114 14.042 17.050 733 HG12 ILE 89 HG12 ILE 89 1.485 16.917 16.376 734 HG13 ILE 89 HG13 ILE 89 0.718 15.999 17.667 735 HG21 ILE 89 HG21 ILE 89 2.952 15.709 14.688 736 HG22 ILE 89 HG22 ILE 89 3.384 14.026 14.995 737 HG23 ILE 89 HG23 ILE 89 3.987 15.299 16.056 738 HD11 ILE 89 HD11 ILE 89 3.656 16.649 17.497 739 HD12 ILE 89 HD12 ILE 89 2.853 15.788 18.810 740 HD13 ILE 89 HD13 ILE 89 2.472 17.482 18.504 741 H TYR 90 H TYR 90 0.303 13.916 13.076 742 HA TYR 90 HA TYR 90 1.113 11.122 13.334 743 HB2 TYR 90 HB2 TYR 90 0.028 10.750 11.154 744 HB3 TYR 90 HB3 TYR 90 -1.077 11.402 12.345 745 HD1 TYR 90 HD1 TYR 90 0.181 11.712 9.052 746 HD2 TYR 90 HD2 TYR 90 -1.540 13.955 12.230 747 HE1 TYR 90 HE1 TYR 90 -0.504 13.442 7.450 748 HE2 TYR 90 HE2 TYR 90 -2.227 15.697 10.634 749 HH TYR 90 HH TYR 90 -1.489 16.514 8.351 750 H TYR 91 H TYR 91 3.164 10.872 13.072 751 HA TYR 91 HA TYR 91 4.570 12.542 11.120 752 HB2 TYR 91 HB2 TYR 91 6.634 11.601 12.359 753 HB3 TYR 91 HB3 TYR 91 5.650 12.806 13.179 754 HD1 TYR 91 HD1 TYR 91 4.574 12.313 15.228 755 HD2 TYR 91 HD2 TYR 91 6.407 9.182 13.008 756 HE1 TYR 91 HE1 TYR 91 4.309 10.803 17.151 757 HE2 TYR 91 HE2 TYR 91 6.146 7.664 14.924 758 HH TYR 91 HH TYR 91 5.927 7.923 17.473 759 H CYS 92 H CYS 92 5.750 11.680 9.503 760 HA CYS 92 HA CYS 92 5.608 8.762 9.175 761 HB2 CYS 92 HB2 CYS 92 5.421 9.325 6.651 762 HB3 CYS 92 HB3 CYS 92 3.983 9.469 7.657 763 HG CYS 92 HG CYS 92 4.124 12.237 7.886 764 HA PRO 93 HA PRO 93 9.951 10.132 8.739 765 HB2 PRO 93 HB2 PRO 93 11.059 8.400 10.429 766 HB3 PRO 93 HB3 PRO 93 10.155 9.799 11.024 767 HG2 PRO 93 HG2 PRO 93 9.290 6.941 10.800 768 HG3 PRO 93 HG3 PRO 93 9.010 8.097 12.115 769 HD2 PRO 93 HD2 PRO 93 7.180 7.493 10.131 770 HD3 PRO 93 HD3 PRO 93 7.174 8.981 11.095 771 H ASN 94 H ASN 94 11.856 8.030 9.018 772 HA ASN 94 HA ASN 94 11.791 7.035 6.352 773 HB2 ASN 94 HB2 ASN 94 13.901 7.624 7.471 774 HB3 ASN 94 HB3 ASN 94 13.647 6.333 8.641 775 HD21 ASN 94 HD21 ASN 94 14.536 7.123 5.381 776 HD22 ASN 94 HD22 ASN 94 15.128 5.547 4.952 777 H GLY 95 H GLY 95 11.018 5.180 5.599 778 HA2 GLY 95 HA2 GLY 95 10.716 2.789 5.801 779 HA3 GLY 95 HA3 GLY 95 10.426 3.022 7.520 780 H SER 96 H SER 96 8.821 5.506 6.479 781 HA SER 96 HA SER 96 6.280 4.250 6.673 782 HB2 SER 96 HB2 SER 96 6.908 7.075 5.792 783 HB3 SER 96 HB3 SER 96 5.365 6.479 6.409 784 HG SER 96 HG SER 96 7.702 7.123 7.754 785 H SER 97 H SER 97 5.255 3.230 5.120 786 HA SER 97 HA SER 97 6.055 3.407 2.386 787 HB2 SER 97 HB2 SER 97 5.259 1.309 3.459 788 HB3 SER 97 HB3 SER 97 3.655 2.022 3.616 789 HG SER 97 HG SER 97 3.275 1.598 1.613 790 HA PRO 98 HA PRO 98 3.796 6.891 1.011 791 HB2 PRO 98 HB2 PRO 98 3.195 5.250 -1.402 792 HB3 PRO 98 HB3 PRO 98 3.908 6.863 -1.281 793 HG2 PRO 98 HG2 PRO 98 5.440 4.765 -1.810 794 HG3 PRO 98 HG3 PRO 98 6.003 6.035 -0.707 795 HD2 PRO 98 HD2 PRO 98 4.950 3.309 -0.081 796 HD3 PRO 98 HD3 PRO 98 6.263 4.217 0.694 797 H GLU 99 H GLU 99 2.095 3.834 0.194 798 HA GLU 99 HA GLU 99 -0.412 5.162 0.022 799 HB2 GLU 99 HB2 GLU 99 -1.147 2.566 0.320 800 HB3 GLU 99 HB3 GLU 99 -0.719 3.317 -1.207 801 HG2 GLU 99 HG2 GLU 99 0.472 1.334 -1.193 802 HG3 GLU 99 HG3 GLU 99 1.660 2.543 -0.719 803 H LEU 100 H LEU 100 1.310 3.607 2.624 804 HA LEU 100 HA LEU 100 -0.879 3.554 4.434 805 HB2 LEU 100 HB2 LEU 100 2.078 3.716 5.010 806 HB3 LEU 100 HB3 LEU 100 0.839 3.372 6.197 807 HG LEU 100 HG LEU 100 1.557 1.628 3.838 808 HD11 LEU 100 HD11 LEU 100 2.377 0.081 5.538 809 HD12 LEU 100 HD12 LEU 100 1.990 1.253 6.798 810 HD13 LEU 100 HD13 LEU 100 3.239 1.619 5.607 811 HD21 LEU 100 HD21 LEU 100 -0.823 1.507 4.362 812 HD22 LEU 100 HD22 LEU 100 -0.443 1.202 6.056 813 HD23 LEU 100 HD23 LEU 100 -0.001 0.018 4.827 814 H GLN 101 H GLN 101 1.537 5.979 3.577 815 HA GLN 101 HA GLN 101 0.973 7.832 5.609 816 HB2 GLN 101 HB2 GLN 101 1.846 8.361 2.761 817 HB3 GLN 101 HB3 GLN 101 1.882 9.542 4.063 818 HG2 GLN 101 HG2 GLN 101 3.498 8.210 5.269 819 HG3 GLN 101 HG3 GLN 101 3.410 6.959 4.034 820 HE21 GLN 101 HE21 GLN 101 5.578 7.082 3.522 821 HE22 GLN 101 HE22 GLN 101 6.271 8.428 2.684 822 H MET 102 H MET 102 -0.439 7.432 2.380 823 HA MET 102 HA MET 102 -2.338 9.532 2.677 824 HB2 MET 102 HB2 MET 102 -2.287 7.144 0.823 825 HB3 MET 102 HB3 MET 102 -3.459 8.450 0.715 826 HG2 MET 102 HG2 MET 102 -0.477 8.758 0.435 827 HG3 MET 102 HG3 MET 102 -1.631 8.691 -0.895 828 HE1 MET 102 HE1 MET 102 -3.714 11.962 -0.317 829 HE2 MET 102 HE2 MET 102 -4.080 10.349 0.295 830 HE3 MET 102 HE3 MET 102 -3.478 10.554 -1.351 831 H LEU 103 H LEU 103 -2.263 6.169 3.527 832 HA LEU 103 HA LEU 103 -4.999 5.750 4.044 833 HB2 LEU 103 HB2 LEU 103 -3.570 3.867 3.862 834 HB3 LEU 103 HB3 LEU 103 -2.475 4.486 5.080 835 HG LEU 103 HG LEU 103 -4.221 4.113 6.798 836 HD11 LEU 103 HD11 LEU 103 -5.706 2.772 4.545 837 HD12 LEU 103 HD12 LEU 103 -6.187 4.255 5.369 838 HD13 LEU 103 HD13 LEU 103 -6.155 2.728 6.250 839 HD21 LEU 103 HD21 LEU 103 -3.515 1.672 5.178 840 HD22 LEU 103 HD22 LEU 103 -3.995 1.697 6.875 841 HD23 LEU 103 HD23 LEU 103 -2.479 2.448 6.376 842 H TYR 104 H TYR 104 -2.333 6.548 6.274 843 HA TYR 104 HA TYR 104 -4.090 6.831 8.507 844 HB2 TYR 104 HB2 TYR 104 -1.179 7.519 8.119 845 HB3 TYR 104 HB3 TYR 104 -2.029 7.752 9.644 846 HD1 TYR 104 HD1 TYR 104 -2.756 5.834 10.966 847 HD2 TYR 104 HD2 TYR 104 -0.614 5.303 7.337 848 HE1 TYR 104 HE1 TYR 104 -2.320 3.492 11.570 849 HE2 TYR 104 HE2 TYR 104 -0.167 2.964 7.930 850 HH TYR 104 HH TYR 104 -1.809 1.349 10.358 851 H ALA 105 H ALA 105 -2.365 9.158 6.418 852 HA ALA 105 HA ALA 105 -3.319 11.445 7.814 853 HB1 ALA 105 HB1 ALA 105 -2.592 12.725 5.883 854 HB2 ALA 105 HB2 ALA 105 -2.422 11.239 4.947 855 HB3 ALA 105 HB3 ALA 105 -1.377 11.530 6.337 856 H GLY 106 H GLY 106 -4.759 9.319 5.538 857 HA2 GLY 106 HA2 GLY 106 -6.864 11.154 4.784 858 HA3 GLY 106 HA3 GLY 106 -6.767 9.446 4.374 859 H SER 107 H SER 107 -6.738 8.115 6.640 860 HA SER 107 HA SER 107 -9.451 8.337 7.456 861 HB2 SER 107 HB2 SER 107 -7.290 6.527 8.510 862 HB3 SER 107 HB3 SER 107 -9.025 6.328 8.761 863 HG SER 107 HG SER 107 -7.479 5.844 6.499 864 H ARG 108 H ARG 108 -6.793 10.022 8.568 865 HA ARG 108 HA ARG 108 -7.399 10.027 11.334 866 HB2 ARG 108 HB2 ARG 108 -6.013 12.066 11.502 867 HB3 ARG 108 HB3 ARG 108 -5.205 10.747 10.679 868 HG2 ARG 108 HG2 ARG 108 -4.645 12.730 9.533 869 HG3 ARG 108 HG3 ARG 108 -5.788 11.864 8.512 870 HD2 ARG 108 HD2 ARG 108 -7.134 13.623 8.479 871 HD3 ARG 108 HD3 ARG 108 -7.235 13.613 10.237 872 HE ARG 108 HE ARG 108 -5.681 15.316 10.323 873 HH11 ARG 108 HH11 ARG 108 -5.819 14.056 7.050 874 HH12 ARG 108 HH12 ARG 108 -5.044 15.452 6.357 875 HH21 ARG 108 HH21 ARG 108 -4.673 17.135 9.399 876 HH22 ARG 108 HH22 ARG 108 -4.411 17.193 7.683 877 H ASN 109 H ASN 109 -8.963 11.464 8.656 878 HA ASN 109 HA ASN 109 -9.952 13.766 10.025 879 HB2 ASN 109 HB2 ASN 109 -11.496 14.026 8.101 880 HB3 ASN 109 HB3 ASN 109 -9.812 13.864 7.629 881 HD21 ASN 109 HD21 ASN 109 -10.414 13.270 5.561 882 HD22 ASN 109 HD22 ASN 109 -11.019 11.689 5.202 883 H PHE 110 H PHE 110 -10.817 10.489 10.142 884 HA PHE 110 HA PHE 110 -13.514 10.980 11.030 885 HB2 PHE 110 HB2 PHE 110 -11.797 8.496 11.157 886 HB3 PHE 110 HB3 PHE 110 -13.483 8.565 11.659 887 HD1 PHE 110 HD1 PHE 110 -15.215 9.225 9.926 888 HD2 PHE 110 HD2 PHE 110 -11.231 8.111 8.928 889 HE1 PHE 110 HE1 PHE 110 -15.929 8.756 7.618 890 HE2 PHE 110 HE2 PHE 110 -11.936 7.646 6.618 891 HZ PHE 110 HZ PHE 110 -14.288 7.969 5.959 892 H ILE 111 H ILE 111 -10.381 10.298 12.528 893 HA ILE 111 HA ILE 111 -11.487 10.123 15.157 894 HB ILE 111 HB ILE 111 -9.399 8.961 14.481 895 HG12 ILE 111 HG12 ILE 111 -10.075 9.696 16.903 896 HG13 ILE 111 HG13 ILE 111 -8.505 8.982 16.596 897 HG21 ILE 111 HG21 ILE 111 -7.278 10.184 14.470 898 HG22 ILE 111 HG22 ILE 111 -8.168 11.704 14.571 899 HG23 ILE 111 HG23 ILE 111 -8.346 10.669 13.154 900 HD11 ILE 111 HD11 ILE 111 -9.069 11.918 16.900 901 HD12 ILE 111 HD12 ILE 111 -7.487 11.193 16.609 902 HD13 ILE 111 HD13 ILE 111 -8.345 10.861 18.113 903 H VAL 112 H VAL 112 -10.078 12.689 13.209 904 HA VAL 112 HA VAL 112 -9.811 14.686 15.137 905 HB VAL 112 HB VAL 112 -10.715 14.953 12.258 906 HG11 VAL 112 HG11 VAL 112 -11.373 16.925 13.530 907 HG12 VAL 112 HG12 VAL 112 -10.049 17.301 12.428 908 HG13 VAL 112 HG13 VAL 112 -9.729 17.086 14.149 909 HG21 VAL 112 HG21 VAL 112 -8.509 13.976 12.466 910 HG22 VAL 112 HG22 VAL 112 -8.011 15.271 13.552 911 HG23 VAL 112 HG23 VAL 112 -8.377 15.630 11.866 912 H ASN 113 H ASN 113 -12.619 13.293 13.675 913 HA ASN 113 HA ASN 113 -14.408 15.335 14.726 914 HB2 ASN 113 HB2 ASN 113 -14.927 14.421 12.526 915 HB3 ASN 113 HB3 ASN 113 -14.964 12.788 13.183 916 HD21 ASN 113 HD21 ASN 113 -16.776 12.071 14.226 917 HD22 ASN 113 HD22 ASN 113 -18.239 12.987 14.343 918 H GLU 114 H GLU 114 -13.606 11.956 15.198 919 HA GLU 114 HA GLU 114 -15.487 11.212 17.076 920 HB2 GLU 114 HB2 GLU 114 -12.831 10.289 16.238 921 HB3 GLU 114 HB3 GLU 114 -13.278 9.827 17.874 922 HG2 GLU 114 HG2 GLU 114 -14.881 9.279 15.384 923 HG3 GLU 114 HG3 GLU 114 -13.892 8.110 16.261 924 H CYS 115 H CYS 115 -12.255 12.577 17.699 925 HA CYS 115 HA CYS 115 -12.946 12.800 20.536 926 HB2 CYS 115 HB2 CYS 115 -10.723 11.868 19.773 927 HB3 CYS 115 HB3 CYS 115 -10.322 13.479 19.189 928 HG CYS 115 HG CYS 115 -8.981 13.712 21.418 929 H HIS 116 H HIS 116 -13.377 14.560 17.824 930 HA HIS 116 HA HIS 116 -13.469 16.742 17.198 931 HB2 HIS 116 HB2 HIS 116 -15.179 16.632 19.107 932 HB3 HIS 116 HB3 HIS 116 -13.947 17.391 20.111 933 HD1 HIS 116 HD1 HIS 116 -13.199 19.850 19.373 934 HD2 HIS 116 HD2 HIS 116 -16.568 18.335 17.455 935 HE1 HIS 116 HE1 HIS 116 -14.328 21.833 18.312 936 HE2 HIS 116 HE2 HIS 116 -16.285 20.875 17.043 937 H VAL 117 H VAL 117 -11.031 15.983 17.236 938 HA VAL 117 HA VAL 117 -9.218 17.018 19.086 939 HB VAL 117 HB VAL 117 -8.633 16.603 16.155 940 HG11 VAL 117 HG11 VAL 117 -6.907 16.318 18.605 941 HG12 VAL 117 HG12 VAL 117 -6.862 17.662 17.465 942 HG13 VAL 117 HG13 VAL 117 -6.406 16.043 16.936 943 HG21 VAL 117 HG21 VAL 117 -8.701 14.565 18.366 944 HG22 VAL 117 HG22 VAL 117 -8.080 14.294 16.737 945 HG23 VAL 117 HG23 VAL 117 -9.792 14.645 16.983 946 H SER 118 H SER 118 -8.230 18.929 19.360 947 HA SER 118 HA SER 118 -9.389 21.259 18.281 948 HB2 SER 118 HB2 SER 118 -6.714 21.056 19.671 949 HB3 SER 118 HB3 SER 118 -7.778 22.461 19.594 950 HG SER 118 HG SER 118 -9.327 20.784 20.630 951 H LYS 119 H LYS 119 -6.429 19.506 17.533 952 HA LYS 119 HA LYS 119 -6.272 20.621 14.916 953 HB2 LYS 119 HB2 LYS 119 -3.913 21.558 15.316 954 HB3 LYS 119 HB3 LYS 119 -5.278 22.539 15.826 955 HG2 LYS 119 HG2 LYS 119 -4.954 21.759 18.138 956 HG3 LYS 119 HG3 LYS 119 -3.555 20.823 17.608 957 HD2 LYS 119 HD2 LYS 119 -3.787 23.796 17.200 958 HD3 LYS 119 HD3 LYS 119 -3.066 23.078 18.641 959 HE2 LYS 119 HE2 LYS 119 -1.260 22.233 17.480 960 HE3 LYS 119 HE3 LYS 119 -2.116 22.233 15.941 961 HZ1 LYS 119 HZ1 LYS 119 -0.399 23.983 16.094 962 HZ2 LYS 119 HZ2 LYS 119 -1.242 24.682 17.389 963 HZ3 LYS 119 HZ3 LYS 119 -1.952 24.621 15.853 964 H ASN 120 H ASN 120 -4.042 19.907 13.909 965 HA ASN 120 HA ASN 120 -3.009 17.532 15.256 966 HB2 ASN 120 HB2 ASN 120 -2.909 16.318 13.062 967 HB3 ASN 120 HB3 ASN 120 -4.512 16.523 13.733 968 HD21 ASN 120 HD21 ASN 120 -2.773 19.094 12.073 969 HD22 ASN 120 HD22 ASN 120 -3.792 19.122 10.676 970 H THR 121 H THR 121 -1.011 16.699 13.975 971 HA THR 121 HA THR 121 0.488 18.887 12.778 972 HB THR 121 HB THR 121 1.552 17.414 15.191 973 HG1 THR 121 HG1 THR 121 -0.114 19.513 15.024 974 HG21 THR 121 HG21 THR 121 2.633 19.786 13.663 975 HG22 THR 121 HG22 THR 121 3.281 18.148 13.613 976 HG23 THR 121 HG23 THR 121 3.350 19.073 15.111 977 H GLU 122 H GLU 122 1.683 18.136 11.110 978 HA GLU 122 HA GLU 122 2.402 15.287 11.173 979 HB2 GLU 122 HB2 GLU 122 2.285 15.264 8.714 980 HB3 GLU 122 HB3 GLU 122 0.733 15.616 9.456 981 HG2 GLU 122 HG2 GLU 122 2.532 17.793 8.456 982 HG3 GLU 122 HG3 GLU 122 1.419 16.938 7.395 983 H ILE 123 H ILE 123 4.455 14.804 11.035 984 HA ILE 123 HA ILE 123 6.336 16.672 9.776 985 HB ILE 123 HB ILE 123 7.006 15.435 12.462 986 HG12 ILE 123 HG12 ILE 123 6.012 18.248 11.912 987 HG13 ILE 123 HG13 ILE 123 5.093 16.993 12.726 988 HG21 ILE 123 HG21 ILE 123 8.240 17.684 10.875 989 HG22 ILE 123 HG22 ILE 123 8.889 16.053 11.052 990 HG23 ILE 123 HG23 ILE 123 8.784 17.119 12.454 991 HD11 ILE 123 HD11 ILE 123 6.728 16.978 14.536 992 HD12 ILE 123 HD12 ILE 123 6.008 18.571 14.308 993 HD13 ILE 123 HD13 ILE 123 7.638 18.247 13.716 994 H ARG 124 H ARG 124 8.329 15.592 9.080 995 HA ARG 124 HA ARG 124 7.831 12.707 8.736 996 HB2 ARG 124 HB2 ARG 124 7.637 13.974 6.666 997 HB3 ARG 124 HB3 ARG 124 9.239 14.652 6.900 998 HG2 ARG 124 HG2 ARG 124 10.215 12.429 6.659 999 HG3 ARG 124 HG3 ARG 124 8.602 11.747 6.435 1000 HD2 ARG 124 HD2 ARG 124 8.295 13.034 4.424 1001 HD3 ARG 124 HD3 ARG 124 9.840 13.849 4.667 1002 HE ARG 124 HE ARG 124 9.532 10.983 4.035 1003 HH11 ARG 124 HH11 ARG 124 11.330 13.974 3.935 1004 HH12 ARG 124 HH12 ARG 124 12.661 13.302 3.050 1005 HH21 ARG 124 HH21 ARG 124 11.263 10.082 2.839 1006 HH22 ARG 124 HH22 ARG 124 12.626 11.086 2.415 1007 H ASP 125 H ASP 125 8.988 12.781 10.931 1008 HA ASP 125 HA ASP 125 11.316 11.338 10.712 1009 HB2 ASP 125 HB2 ASP 125 12.293 13.578 9.987 1010 HB3 ASP 125 HB3 ASP 125 12.018 14.129 11.638 1011 H ILE 126 H ILE 126 12.306 10.870 12.833 1012 HA ILE 126 HA ILE 126 10.314 11.152 14.971 1013 HB ILE 126 HB ILE 126 12.684 9.282 14.739 1014 HG12 ILE 126 HG12 ILE 126 10.865 8.756 13.164 1015 HG13 ILE 126 HG13 ILE 126 11.019 7.522 14.409 1016 HG21 ILE 126 HG21 ILE 126 11.776 8.144 16.698 1017 HG22 ILE 126 HG22 ILE 126 10.504 9.360 16.823 1018 HG23 ILE 126 HG23 ILE 126 12.190 9.818 17.068 1019 HD11 ILE 126 HD11 ILE 126 8.691 8.025 13.945 1020 HD12 ILE 126 HD12 ILE 126 8.965 9.718 14.355 1021 HD13 ILE 126 HD13 ILE 126 9.116 8.475 15.597 1022 H ASP 127 H ASP 127 13.524 12.103 14.079 1023 HA ASP 127 HA ASP 127 14.342 12.501 16.845 1024 HB2 ASP 127 HB2 ASP 127 15.855 11.409 15.201 1025 HB3 ASP 127 HB3 ASP 127 15.937 12.932 14.318 1026 H GLU 128 H GLU 128 13.330 14.398 14.090 1027 HA GLU 128 HA GLU 128 14.567 16.821 15.062 1028 HB2 GLU 128 HB2 GLU 128 13.545 17.923 13.165 1029 HB3 GLU 128 HB3 GLU 128 14.272 16.413 12.636 1030 HG2 GLU 128 HG2 GLU 128 12.144 15.355 12.480 1031 HG3 GLU 128 HG3 GLU 128 11.346 16.724 13.256 1032 H ILE 129 H ILE 129 12.019 15.128 16.141 1033 HA ILE 129 HA ILE 129 10.430 17.513 16.777 1034 HB ILE 129 HB ILE 129 8.520 16.029 17.157 1035 HG12 ILE 129 HG12 ILE 129 10.358 13.814 16.210 1036 HG13 ILE 129 HG13 ILE 129 9.740 14.004 17.848 1037 HG21 ILE 129 HG21 ILE 129 8.170 15.347 14.814 1038 HG22 ILE 129 HG22 ILE 129 9.881 15.644 14.496 1039 HG23 ILE 129 HG23 ILE 129 8.824 16.978 14.961 1040 HD11 ILE 129 HD11 ILE 129 8.533 12.301 16.543 1041 HD12 ILE 129 HD12 ILE 129 8.019 13.558 15.417 1042 HD13 ILE 129 HD13 ILE 129 7.492 13.609 17.100 1043 H ASP 130 H ASP 130 10.577 18.240 18.756 1044 HA ASP 130 HA ASP 130 10.541 16.490 21.026 1045 HB2 ASP 130 HB2 ASP 130 12.616 17.324 22.056 1046 HB3 ASP 130 HB3 ASP 130 12.939 16.443 20.570 1047 H ASP 131 H ASP 131 11.571 18.485 22.844 1048 HA ASP 131 HA ASP 131 9.084 19.738 23.334 1049 HB2 ASP 131 HB2 ASP 131 10.833 18.998 25.030 1050 HB3 ASP 131 HB3 ASP 131 11.698 20.480 24.642 1051 H GLU 132 H GLU 132 11.693 20.687 21.367 1052 HA GLU 132 HA GLU 132 11.752 23.453 21.659 1053 HB2 GLU 132 HB2 GLU 132 12.569 23.552 19.339 1054 HB3 GLU 132 HB3 GLU 132 13.367 22.293 20.268 1055 HG2 GLU 132 HG2 GLU 132 12.234 20.582 19.142 1056 HG3 GLU 132 HG3 GLU 132 11.022 21.691 18.503 1057 H LEU 133 H LEU 133 9.447 21.466 19.844 1058 HA LEU 133 HA LEU 133 8.241 23.754 18.621 1059 HB2 LEU 133 HB2 LEU 133 6.375 22.032 18.096 1060 HB3 LEU 133 HB3 LEU 133 7.909 21.943 17.273 1061 HG LEU 133 HG LEU 133 8.513 20.206 19.131 1062 HD11 LEU 133 HD11 LEU 133 6.571 20.576 20.537 1063 HD12 LEU 133 HD12 LEU 133 6.577 18.926 19.913 1064 HD13 LEU 133 HD13 LEU 133 5.501 20.131 19.207 1065 HD21 LEU 133 HD21 LEU 133 6.578 19.597 16.902 1066 HD22 LEU 133 HD22 LEU 133 7.561 18.406 17.755 1067 HD23 LEU 133 HD23 LEU 133 8.337 19.657 16.783 1068 H LEU 134 H LEU 134 7.671 21.952 21.566 1069 HA LEU 134 HA LEU 134 4.990 22.680 21.958 1070 HB2 LEU 134 HB2 LEU 134 7.149 21.995 23.937 1071 HB3 LEU 134 HB3 LEU 134 5.481 22.278 24.397 1072 HG LEU 134 HG LEU 134 6.486 20.079 22.588 1073 HD11 LEU 134 HD11 LEU 134 5.285 20.016 25.351 1074 HD12 LEU 134 HD12 LEU 134 6.970 19.695 24.936 1075 HD13 LEU 134 HD13 LEU 134 5.699 18.605 24.378 1076 HD21 LEU 134 HD21 LEU 134 3.676 20.705 23.490 1077 HD22 LEU 134 HD22 LEU 134 4.176 19.287 22.567 1078 HD23 LEU 134 HD23 LEU 134 4.305 20.894 21.852 1079 H GLU 135 H GLU 135 7.873 24.533 22.274 1080 HA GLU 135 HA GLU 135 6.902 26.519 24.039 1081 HB2 GLU 135 HB2 GLU 135 8.938 26.851 21.831 1082 HB3 GLU 135 HB3 GLU 135 8.732 27.889 23.235 1083 HG2 GLU 135 HG2 GLU 135 9.276 25.871 24.646 1084 HG3 GLU 135 HG3 GLU 135 9.758 25.073 23.149 1085 H SER 136 H SER 136 6.799 26.146 20.526 1086 HA SER 136 HA SER 136 5.336 28.660 20.270 1087 HB2 SER 136 HB2 SER 136 5.610 28.070 17.763 1088 HB3 SER 136 HB3 SER 136 7.042 28.555 18.670 1089 HG SER 136 HG SER 136 7.855 26.719 18.059 1090 H LYS 137 H LYS 137 4.822 25.242 20.234 1091 HA LYS 137 HA LYS 137 2.350 25.249 18.826 1092 HB2 LYS 137 HB2 LYS 137 3.417 23.275 20.848 1093 HB3 LYS 137 HB3 LYS 137 1.980 23.024 19.871 1094 HG2 LYS 137 HG2 LYS 137 4.807 23.293 18.877 1095 HG3 LYS 137 HG3 LYS 137 3.849 21.817 18.947 1096 HD2 LYS 137 HD2 LYS 137 2.249 22.832 17.347 1097 HD3 LYS 137 HD3 LYS 137 3.314 24.237 17.225 1098 HE2 LYS 137 HE2 LYS 137 5.134 22.717 16.475 1099 HE3 LYS 137 HE3 LYS 137 3.978 21.389 16.483 1100 HZ1 LYS 137 HZ1 LYS 137 3.861 23.823 14.784 1101 HZ2 LYS 137 HZ2 LYS 137 2.659 22.628 14.838 1102 HZ3 LYS 137 HZ3 LYS 137 4.211 22.245 14.270 1103 H PHE 138 H PHE 138 3.308 26.099 21.992 1104 HA PHE 138 HA PHE 138 1.051 25.538 23.520 1105 HB2 PHE 138 HB2 PHE 138 3.315 26.212 24.370 1106 HB3 PHE 138 HB3 PHE 138 2.942 27.866 23.902 1107 HD1 PHE 138 HD1 PHE 138 1.537 29.237 25.246 1108 HD2 PHE 138 HD2 PHE 138 2.053 25.119 26.186 1109 HE1 PHE 138 HE1 PHE 138 0.487 29.610 27.438 1110 HE2 PHE 138 HE2 PHE 138 1.001 25.486 28.380 1111 HZ PHE 138 HZ PHE 138 0.216 27.734 29.008 Start of MODEL 3 1 H MET 1 H MET 1 5.280 1.151 -1.809 2 HA MET 1 HA MET 1 5.041 -1.204 -2.166 3 HB2 MET 1 HB2 MET 1 4.707 -1.861 0.104 4 HB3 MET 1 HB3 MET 1 5.417 -0.254 0.145 5 HG2 MET 1 HG2 MET 1 3.243 0.724 0.582 6 HG3 MET 1 HG3 MET 1 2.488 -0.863 0.468 7 HE1 MET 1 HE1 MET 1 4.593 -2.718 1.959 8 HE2 MET 1 HE2 MET 1 2.854 -2.818 2.241 9 HE3 MET 1 HE3 MET 1 3.963 -2.696 3.607 10 H THR 2 H THR 2 3.628 -3.115 -1.715 11 HA THR 2 HA THR 2 1.029 -2.728 -2.916 12 HB THR 2 HB THR 2 2.088 -5.298 -1.733 13 HG1 THR 2 HG1 THR 2 3.463 -5.423 -3.332 14 HG21 THR 2 HG21 THR 2 -0.284 -5.272 -2.354 15 HG22 THR 2 HG22 THR 2 0.643 -6.335 -3.413 16 HG23 THR 2 HG23 THR 2 0.145 -4.741 -3.979 17 H SER 3 H SER 3 -0.264 -1.626 -1.499 18 HA SER 3 HA SER 3 -0.829 -2.966 1.051 19 HB2 SER 3 HB2 SER 3 0.641 -1.048 1.504 20 HB3 SER 3 HB3 SER 3 -0.476 0.018 0.655 21 HG SER 3 HG SER 3 -1.954 -0.239 2.259 22 H SER 4 H SER 4 -2.924 -3.343 1.354 23 HA SER 4 HA SER 4 -4.958 -2.418 -0.375 24 HB2 SER 4 HB2 SER 4 -5.392 -3.408 2.449 25 HB3 SER 4 HB3 SER 4 -6.460 -3.580 1.054 26 HG SER 4 HG SER 4 -5.058 -5.452 1.785 27 H LEU 5 H LEU 5 -5.657 -0.354 -0.463 28 HA LEU 5 HA LEU 5 -5.401 1.276 1.962 29 HB2 LEU 5 HB2 LEU 5 -4.441 1.816 -0.480 30 HB3 LEU 5 HB3 LEU 5 -6.036 2.522 -0.659 31 HG LEU 5 HG LEU 5 -4.142 3.252 1.575 32 HD11 LEU 5 HD11 LEU 5 -3.616 5.251 0.288 33 HD12 LEU 5 HD12 LEU 5 -4.623 4.678 -1.041 34 HD13 LEU 5 HD13 LEU 5 -3.157 3.799 -0.605 35 HD21 LEU 5 HD21 LEU 5 -6.618 4.606 0.497 36 HD22 LEU 5 HD22 LEU 5 -5.584 5.218 1.787 37 HD23 LEU 5 HD23 LEU 5 -6.499 3.729 2.023 38 H THR 6 H THR 6 -7.125 1.904 3.021 39 HA THR 6 HA THR 6 -9.677 2.386 1.839 40 HB THR 6 HB THR 6 -9.769 -0.069 1.878 41 HG1 THR 6 HG1 THR 6 -11.753 -0.116 2.689 42 HG21 THR 6 HG21 THR 6 -9.250 0.186 4.839 43 HG22 THR 6 HG22 THR 6 -8.155 -0.510 3.645 44 HG23 THR 6 HG23 THR 6 -9.689 -1.304 4.002 45 H ILE 7 H ILE 7 -11.178 3.257 3.484 46 HA ILE 7 HA ILE 7 -9.649 4.497 5.621 47 HB ILE 7 HB ILE 7 -11.624 5.857 6.073 48 HG12 ILE 7 HG12 ILE 7 -12.938 4.392 3.774 49 HG13 ILE 7 HG13 ILE 7 -13.332 4.144 5.475 50 HG21 ILE 7 HG21 ILE 7 -10.031 6.612 4.404 51 HG22 ILE 7 HG22 ILE 7 -11.665 7.098 3.953 52 HG23 ILE 7 HG23 ILE 7 -10.899 5.730 3.147 53 HD11 ILE 7 HD11 ILE 7 -13.639 6.728 3.954 54 HD12 ILE 7 HD12 ILE 7 -14.057 6.462 5.648 55 HD13 ILE 7 HD13 ILE 7 -14.937 5.610 4.377 56 H CYS 8 H CYS 8 -10.139 4.314 7.809 57 HA CYS 8 HA CYS 8 -11.371 1.717 8.403 58 HB2 CYS 8 HB2 CYS 8 -9.209 3.220 9.888 59 HB3 CYS 8 HB3 CYS 8 -9.885 1.668 10.377 60 HG CYS 8 HG CYS 8 -8.525 1.952 7.282 61 H SER 9 H SER 9 -12.658 1.461 10.195 62 HA SER 9 HA SER 9 -14.023 3.914 10.995 63 HB2 SER 9 HB2 SER 9 -15.617 1.970 11.937 64 HB3 SER 9 HB3 SER 9 -15.692 2.536 10.268 65 HG SER 9 HG SER 9 -14.450 0.201 11.302 66 H ILE 10 H ILE 10 -14.916 3.884 13.272 67 HA ILE 10 HA ILE 10 -12.695 3.168 15.048 68 HB ILE 10 HB ILE 10 -13.036 5.531 15.011 69 HG12 ILE 10 HG12 ILE 10 -13.767 5.993 17.384 70 HG13 ILE 10 HG13 ILE 10 -14.184 4.290 17.511 71 HG21 ILE 10 HG21 ILE 10 -15.172 6.598 15.582 72 HG22 ILE 10 HG22 ILE 10 -15.938 5.010 15.612 73 HG23 ILE 10 HG23 ILE 10 -15.268 5.636 14.106 74 HD11 ILE 10 HD11 ILE 10 -12.012 4.718 18.482 75 HD12 ILE 10 HD12 ILE 10 -11.445 5.407 16.961 76 HD13 ILE 10 HD13 ILE 10 -11.855 3.693 17.054 77 HA PRO 11 HA PRO 11 -15.572 0.155 16.792 78 HB2 PRO 11 HB2 PRO 11 -13.732 -0.738 18.637 79 HB3 PRO 11 HB3 PRO 11 -13.872 -1.360 16.990 80 HG2 PRO 11 HG2 PRO 11 -11.961 0.639 18.111 81 HG3 PRO 11 HG3 PRO 11 -11.672 -0.651 16.933 82 HD2 PRO 11 HD2 PRO 11 -11.942 1.930 16.204 83 HD3 PRO 11 HD3 PRO 11 -12.505 0.596 15.177 84 H ASP 12 H ASP 12 -17.016 0.648 18.293 85 HA ASP 12 HA ASP 12 -16.931 3.033 19.731 86 HB2 ASP 12 HB2 ASP 12 -18.986 1.734 19.076 87 HB3 ASP 12 HB3 ASP 12 -18.649 0.642 20.416 88 H GLY 13 H GLY 13 -15.903 -0.179 20.634 89 HA2 GLY 13 HA2 GLY 13 -15.776 0.129 23.416 90 HA3 GLY 13 HA3 GLY 13 -14.781 -0.964 22.467 91 H VAL 14 H VAL 14 -13.082 0.468 21.072 92 HA VAL 14 HA VAL 14 -11.382 1.573 23.093 93 HB VAL 14 HB VAL 14 -9.700 1.844 21.429 94 HG11 VAL 14 HG11 VAL 14 -9.597 -0.400 20.432 95 HG12 VAL 14 HG12 VAL 14 -11.283 -0.657 20.881 96 HG13 VAL 14 HG13 VAL 14 -10.060 -0.435 22.133 97 HG21 VAL 14 HG21 VAL 14 -11.850 1.393 19.368 98 HG22 VAL 14 HG22 VAL 14 -10.123 1.518 19.032 99 HG23 VAL 14 HG23 VAL 14 -10.997 2.905 19.684 100 H LYS 15 H LYS 15 -13.706 2.826 20.922 101 HA LYS 15 HA LYS 15 -12.848 5.488 20.710 102 HB2 LYS 15 HB2 LYS 15 -14.678 4.692 19.346 103 HB3 LYS 15 HB3 LYS 15 -15.637 4.321 20.774 104 HG2 LYS 15 HG2 LYS 15 -14.888 7.058 20.891 105 HG3 LYS 15 HG3 LYS 15 -15.545 6.723 19.288 106 HD2 LYS 15 HD2 LYS 15 -17.025 5.566 21.563 107 HD3 LYS 15 HD3 LYS 15 -17.061 7.324 21.431 108 HE2 LYS 15 HE2 LYS 15 -17.862 7.143 19.136 109 HE3 LYS 15 HE3 LYS 15 -17.780 5.385 19.237 110 HZ1 LYS 15 HZ1 LYS 15 -20.032 6.371 19.577 111 HZ2 LYS 15 HZ2 LYS 15 -19.473 7.036 21.031 112 HZ3 LYS 15 HZ3 LYS 15 -19.512 5.348 20.824 113 H GLU 16 H GLU 16 -14.510 3.727 23.244 114 HA GLU 16 HA GLU 16 -15.272 5.903 24.855 115 HB2 GLU 16 HB2 GLU 16 -15.998 3.507 25.152 116 HB3 GLU 16 HB3 GLU 16 -14.413 3.180 25.843 117 HG2 GLU 16 HG2 GLU 16 -14.881 4.932 27.552 118 HG3 GLU 16 HG3 GLU 16 -16.521 5.034 26.916 119 H ASP 17 H ASP 17 -12.266 4.102 24.585 120 HA ASP 17 HA ASP 17 -10.879 5.212 26.755 121 HB2 ASP 17 HB2 ASP 17 -9.926 4.165 24.087 122 HB3 ASP 17 HB3 ASP 17 -8.812 4.743 25.319 123 H LEU 18 H LEU 18 -11.204 6.259 23.416 124 HA LEU 18 HA LEU 18 -9.531 8.540 23.637 125 HB2 LEU 18 HB2 LEU 18 -10.162 7.329 21.527 126 HB3 LEU 18 HB3 LEU 18 -11.754 8.047 21.657 127 HG LEU 18 HG LEU 18 -10.759 10.286 21.445 128 HD11 LEU 18 HD11 LEU 18 -8.422 10.540 20.834 129 HD12 LEU 18 HD12 LEU 18 -8.175 8.801 20.989 130 HD13 LEU 18 HD13 LEU 18 -8.565 9.766 22.412 131 HD21 LEU 18 HD21 LEU 18 -11.557 9.125 19.463 132 HD22 LEU 18 HD22 LEU 18 -9.984 8.353 19.265 133 HD23 LEU 18 HD23 LEU 18 -10.138 10.100 19.083 134 H LYS 19 H LYS 19 -12.848 7.898 24.404 135 HA LYS 19 HA LYS 19 -13.610 10.666 24.696 136 HB2 LYS 19 HB2 LYS 19 -14.896 8.042 25.083 137 HB3 LYS 19 HB3 LYS 19 -15.412 9.279 26.214 138 HG2 LYS 19 HG2 LYS 19 -16.942 9.284 24.404 139 HG3 LYS 19 HG3 LYS 19 -15.955 10.735 24.253 140 HD2 LYS 19 HD2 LYS 19 -15.150 8.259 22.792 141 HD3 LYS 19 HD3 LYS 19 -16.473 9.242 22.165 142 HE2 LYS 19 HE2 LYS 19 -15.033 11.174 22.052 143 HE3 LYS 19 HE3 LYS 19 -13.718 10.275 22.809 144 HZ1 LYS 19 HZ1 LYS 19 -13.462 10.438 20.406 145 HZ2 LYS 19 HZ2 LYS 19 -14.937 9.635 20.168 146 HZ3 LYS 19 HZ3 LYS 19 -13.635 8.828 20.894 147 H LYS 20 H LYS 20 -12.591 8.031 26.818 148 HA LYS 20 HA LYS 20 -12.953 9.384 29.260 149 HB2 LYS 20 HB2 LYS 20 -11.018 7.164 28.568 150 HB3 LYS 20 HB3 LYS 20 -11.414 7.683 30.199 151 HG2 LYS 20 HG2 LYS 20 -13.330 6.479 28.211 152 HG3 LYS 20 HG3 LYS 20 -12.613 5.658 29.597 153 HD2 LYS 20 HD2 LYS 20 -13.720 7.264 31.092 154 HD3 LYS 20 HD3 LYS 20 -14.467 8.037 29.696 155 HE2 LYS 20 HE2 LYS 20 -16.031 6.513 30.770 156 HE3 LYS 20 HE3 LYS 20 -15.615 5.941 29.155 157 HZ1 LYS 20 HZ1 LYS 20 -13.816 4.830 31.013 158 HZ2 LYS 20 HZ2 LYS 20 -14.945 4.033 30.023 159 HZ3 LYS 20 HZ3 LYS 20 -15.397 4.566 31.570 160 H PHE 21 H PHE 21 -10.290 9.325 26.974 161 HA PHE 21 HA PHE 21 -8.277 10.505 28.421 162 HB2 PHE 21 HB2 PHE 21 -8.173 9.592 26.076 163 HB3 PHE 21 HB3 PHE 21 -8.941 11.074 25.523 164 HD1 PHE 21 HD1 PHE 21 -6.787 11.679 28.253 165 HD2 PHE 21 HD2 PHE 21 -6.809 11.056 24.052 166 HE1 PHE 21 HE1 PHE 21 -4.624 12.742 28.093 167 HE2 PHE 21 HE2 PHE 21 -4.611 12.142 23.881 168 HZ PHE 21 HZ PHE 21 -3.508 12.992 25.908 169 H ARG 22 H ARG 22 -11.052 12.041 26.855 170 HA ARG 22 HA ARG 22 -10.104 14.662 27.703 171 HB2 ARG 22 HB2 ARG 22 -12.159 15.500 26.480 172 HB3 ARG 22 HB3 ARG 22 -10.928 14.728 25.492 173 HG2 ARG 22 HG2 ARG 22 -12.224 12.798 25.194 174 HG3 ARG 22 HG3 ARG 22 -13.316 13.228 26.512 175 HD2 ARG 22 HD2 ARG 22 -13.038 14.883 24.016 176 HD3 ARG 22 HD3 ARG 22 -14.193 13.559 24.159 177 HE ARG 22 HE ARG 22 -14.505 15.300 26.354 178 HH11 ARG 22 HH11 ARG 22 -15.049 15.252 22.890 179 HH12 ARG 22 HH12 ARG 22 -16.409 16.332 22.957 180 HH21 ARG 22 HH21 ARG 22 -16.301 16.674 26.453 181 HH22 ARG 22 HH22 ARG 22 -17.156 17.098 25.000 182 H PHE 23 H PHE 23 -12.574 12.306 28.545 183 HA PHE 23 HA PHE 23 -14.131 14.125 30.067 184 HB2 PHE 23 HB2 PHE 23 -15.009 12.150 28.868 185 HB3 PHE 23 HB3 PHE 23 -14.084 11.105 29.943 186 HD1 PHE 23 HD1 PHE 23 -14.880 10.517 32.033 187 HD2 PHE 23 HD2 PHE 23 -16.789 13.568 29.796 188 HE1 PHE 23 HE1 PHE 23 -16.721 10.520 33.624 189 HE2 PHE 23 HE2 PHE 23 -18.636 13.586 31.376 190 HZ PHE 23 HZ PHE 23 -18.631 12.058 33.320 191 H SER 24 H SER 24 -11.535 11.846 30.693 192 HA SER 24 HA SER 24 -11.473 12.762 33.483 193 HB2 SER 24 HB2 SER 24 -11.028 9.912 32.555 194 HB3 SER 24 HB3 SER 24 -10.871 10.492 34.212 195 HG SER 24 HG SER 24 -12.912 9.524 33.850 196 H LYS 25 H LYS 25 -9.844 14.195 32.937 197 HA LYS 25 HA LYS 25 -7.276 12.985 32.208 198 HB2 LYS 25 HB2 LYS 25 -6.912 15.299 31.005 199 HB3 LYS 25 HB3 LYS 25 -7.723 13.973 30.187 200 HG2 LYS 25 HG2 LYS 25 -8.935 15.979 29.749 201 HG3 LYS 25 HG3 LYS 25 -9.903 14.982 30.832 202 HD2 LYS 25 HD2 LYS 25 -8.292 16.643 32.454 203 HD3 LYS 25 HD3 LYS 25 -8.983 17.663 31.191 204 HE2 LYS 25 HE2 LYS 25 -10.525 15.822 33.020 205 HE3 LYS 25 HE3 LYS 25 -10.422 17.573 33.171 206 HZ1 LYS 25 HZ1 LYS 25 -11.613 16.102 30.879 207 HZ2 LYS 25 HZ2 LYS 25 -11.505 17.786 31.020 208 HZ3 LYS 25 HZ3 LYS 25 -12.476 16.909 32.099 209 H SER 26 H SER 26 -5.408 14.188 32.826 210 HA SER 26 HA SER 26 -5.854 15.875 35.187 211 HB2 SER 26 HB2 SER 26 -4.480 13.837 35.536 212 HB3 SER 26 HB3 SER 26 -3.350 14.402 34.308 213 HG SER 26 HG SER 26 -2.758 14.861 36.538 214 H THR 27 H THR 27 -4.666 17.838 35.381 215 HA THR 27 HA THR 27 -4.415 19.230 32.898 216 HB THR 27 HB THR 27 -3.556 20.272 35.597 217 HG1 THR 27 HG1 THR 27 -6.030 19.486 34.774 218 HG21 THR 27 HG21 THR 27 -2.970 21.678 33.692 219 HG22 THR 27 HG22 THR 27 -4.259 22.435 34.629 220 HG23 THR 27 HG23 THR 27 -4.634 21.617 33.111 221 H THR 28 H THR 28 -2.769 17.823 32.021 222 HA THR 28 HA THR 28 -0.139 18.979 32.276 223 HB THR 28 HB THR 28 -0.271 15.973 32.582 224 HG1 THR 28 HG1 THR 28 -0.861 17.854 34.500 225 HG21 THR 28 HG21 THR 28 1.829 18.028 33.299 226 HG22 THR 28 HG22 THR 28 1.864 16.950 31.903 227 HG23 THR 28 HG23 THR 28 1.979 16.287 33.533 228 H MET 29 H MET 29 1.257 17.163 30.682 229 HA MET 29 HA MET 29 -0.366 17.183 28.252 230 HB2 MET 29 HB2 MET 29 1.848 16.767 27.092 231 HB3 MET 29 HB3 MET 29 1.675 18.325 27.882 232 HG2 MET 29 HG2 MET 29 2.969 17.473 29.794 233 HG3 MET 29 HG3 MET 29 3.179 15.944 28.940 234 HE1 MET 29 HE1 MET 29 5.859 16.376 29.442 235 HE2 MET 29 HE2 MET 29 5.495 17.959 30.129 236 HE3 MET 29 HE3 MET 29 6.708 17.807 28.858 237 H ASN 30 H ASN 30 -1.338 15.410 27.703 238 HA ASN 30 HA ASN 30 -0.098 12.795 28.354 239 HB2 ASN 30 HB2 ASN 30 -3.082 13.124 28.213 240 HB3 ASN 30 HB3 ASN 30 -2.133 11.933 29.096 241 HD21 ASN 30 HD21 ASN 30 -3.581 15.057 29.165 242 HD22 ASN 30 HD22 ASN 30 -3.240 15.417 30.820 243 H ALA 31 H ALA 31 -0.828 11.070 26.818 244 HA ALA 31 HA ALA 31 -1.721 12.121 24.256 245 HB1 ALA 31 HB1 ALA 31 0.963 10.790 24.560 246 HB2 ALA 31 HB2 ALA 31 0.692 12.508 24.265 247 HB3 ALA 31 HB3 ALA 31 0.219 11.320 23.050 248 H LEU 32 H LEU 32 -2.578 10.658 22.913 249 HA LEU 32 HA LEU 32 -2.493 7.815 23.677 250 HB2 LEU 32 HB2 LEU 32 -4.683 9.225 24.112 251 HB3 LEU 32 HB3 LEU 32 -4.908 9.039 22.388 252 HG LEU 32 HG LEU 32 -4.729 6.798 24.405 253 HD11 LEU 32 HD11 LEU 32 -7.078 6.429 23.837 254 HD12 LEU 32 HD12 LEU 32 -7.045 7.841 22.780 255 HD13 LEU 32 HD13 LEU 32 -6.823 8.037 24.518 256 HD21 LEU 32 HD21 LEU 32 -5.206 6.695 21.430 257 HD22 LEU 32 HD22 LEU 32 -5.320 5.331 22.542 258 HD23 LEU 32 HD23 LEU 32 -3.767 6.122 22.273 259 H ILE 33 H ILE 33 -1.482 6.744 22.075 260 HA ILE 33 HA ILE 33 -1.336 7.904 19.424 261 HB ILE 33 HB ILE 33 -0.138 5.355 20.518 262 HG12 ILE 33 HG12 ILE 33 1.001 8.090 19.915 263 HG13 ILE 33 HG13 ILE 33 0.887 7.306 21.489 264 HG21 ILE 33 HG21 ILE 33 -0.579 5.165 18.115 265 HG22 ILE 33 HG22 ILE 33 1.150 5.243 18.451 266 HG23 ILE 33 HG23 ILE 33 0.307 6.664 17.832 267 HD11 ILE 33 HD11 ILE 33 3.158 7.251 20.673 268 HD12 ILE 33 HD12 ILE 33 2.632 6.454 19.190 269 HD13 ILE 33 HD13 ILE 33 2.498 5.615 20.737 270 H LEU 34 H LEU 34 -2.742 7.529 17.901 271 HA LEU 34 HA LEU 34 -4.559 5.244 18.192 272 HB2 LEU 34 HB2 LEU 34 -4.887 7.856 16.723 273 HB3 LEU 34 HB3 LEU 34 -6.047 6.541 16.667 274 HG LEU 34 HG LEU 34 -5.240 7.995 19.187 275 HD11 LEU 34 HD11 LEU 34 -7.709 8.270 17.486 276 HD12 LEU 34 HD12 LEU 34 -6.432 9.473 17.673 277 HD13 LEU 34 HD13 LEU 34 -7.443 9.036 19.052 278 HD21 LEU 34 HD21 LEU 34 -5.985 5.701 19.566 279 HD22 LEU 34 HD22 LEU 34 -7.451 6.017 18.640 280 HD23 LEU 34 HD23 LEU 34 -7.170 6.862 20.162 281 H LYS 35 H LYS 35 -4.456 3.656 16.833 282 HA LYS 35 HA LYS 35 -2.644 3.835 14.572 283 HB2 LYS 35 HB2 LYS 35 -2.121 2.246 16.308 284 HB3 LYS 35 HB3 LYS 35 -3.731 1.573 16.219 285 HG2 LYS 35 HG2 LYS 35 -2.138 0.106 15.169 286 HG3 LYS 35 HG3 LYS 35 -3.251 0.758 13.960 287 HD2 LYS 35 HD2 LYS 35 -1.654 2.108 13.023 288 HD3 LYS 35 HD3 LYS 35 -0.709 2.195 14.512 289 HE2 LYS 35 HE2 LYS 35 0.402 0.898 12.816 290 HE3 LYS 35 HE3 LYS 35 0.018 -0.088 14.215 291 HZ1 LYS 35 HZ1 LYS 35 -1.921 -0.934 12.992 292 HZ2 LYS 35 HZ2 LYS 35 -0.470 -1.306 12.214 293 HZ3 LYS 35 HZ3 LYS 35 -1.449 -0.053 11.631 294 H ILE 36 H ILE 36 -3.494 3.884 12.589 295 HA ILE 36 HA ILE 36 -6.080 2.614 12.043 296 HB ILE 36 HB ILE 36 -4.234 4.318 10.351 297 HG12 ILE 36 HG12 ILE 36 -7.139 4.753 11.064 298 HG13 ILE 36 HG13 ILE 36 -5.802 5.459 11.954 299 HG21 ILE 36 HG21 ILE 36 -6.727 2.893 9.442 300 HG22 ILE 36 HG22 ILE 36 -5.077 2.554 8.923 301 HG23 ILE 36 HG23 ILE 36 -5.834 4.091 8.505 302 HD11 ILE 36 HD11 ILE 36 -6.399 5.930 9.054 303 HD12 ILE 36 HD12 ILE 36 -5.090 6.665 9.981 304 HD13 ILE 36 HD13 ILE 36 -6.768 7.032 10.381 305 H ASP 37 H ASP 37 -6.182 0.682 10.851 306 HA ASP 37 HA ASP 37 -3.606 -0.360 9.916 307 HB2 ASP 37 HB2 ASP 37 -4.271 -1.304 12.187 308 HB3 ASP 37 HB3 ASP 37 -5.586 -2.123 11.344 309 H ARG 38 H ARG 38 -3.645 -1.341 8.022 310 HA ARG 38 HA ARG 38 -5.940 -0.992 6.369 311 HB2 ARG 38 HB2 ARG 38 -4.503 -1.896 4.600 312 HB3 ARG 38 HB3 ARG 38 -3.650 -0.679 5.541 313 HG2 ARG 38 HG2 ARG 38 -2.646 -2.556 6.867 314 HG3 ARG 38 HG3 ARG 38 -3.339 -3.663 5.684 315 HD2 ARG 38 HD2 ARG 38 -2.072 -2.523 3.908 316 HD3 ARG 38 HD3 ARG 38 -1.355 -1.463 5.124 317 HE ARG 38 HE ARG 38 -1.011 -4.392 5.260 318 HH11 ARG 38 HH11 ARG 38 0.369 -1.175 5.080 319 HH12 ARG 38 HH12 ARG 38 1.971 -1.697 5.505 320 HH21 ARG 38 HH21 ARG 38 1.075 -5.086 5.787 321 HH22 ARG 38 HH22 ARG 38 2.383 -3.945 5.891 322 H GLU 39 H GLU 39 -4.734 -3.589 8.288 323 HA GLU 39 HA GLU 39 -6.289 -5.546 6.744 324 HB2 GLU 39 HB2 GLU 39 -3.766 -5.806 7.338 325 HB3 GLU 39 HB3 GLU 39 -4.358 -6.244 8.935 326 HG2 GLU 39 HG2 GLU 39 -5.387 -8.175 8.161 327 HG3 GLU 39 HG3 GLU 39 -5.385 -7.618 6.487 328 H SER 40 H SER 40 -5.788 -4.236 9.986 329 HA SER 40 HA SER 40 -7.932 -5.719 11.169 330 HB2 SER 40 HB2 SER 40 -6.652 -3.130 12.080 331 HB3 SER 40 HB3 SER 40 -7.664 -4.188 13.062 332 HG SER 40 HG SER 40 -5.997 -5.851 12.515 333 H HIS 41 H HIS 41 -7.628 -2.720 9.441 334 HA HIS 41 HA HIS 41 -9.118 -1.319 8.484 335 HB2 HIS 41 HB2 HIS 41 -10.104 -3.431 7.671 336 HB3 HIS 41 HB3 HIS 41 -11.132 -3.491 9.097 337 HD1 HIS 41 HD1 HIS 41 -13.352 -2.414 8.889 338 HD2 HIS 41 HD2 HIS 41 -10.694 -1.077 5.985 339 HE1 HIS 41 HE1 HIS 41 -14.703 -0.938 7.361 340 HE2 HIS 41 HE2 HIS 41 -13.104 -0.243 5.540 341 H GLU 42 H GLU 42 -8.715 -1.406 11.485 342 HA GLU 42 HA GLU 42 -10.984 0.333 12.114 343 HB2 GLU 42 HB2 GLU 42 -11.000 -0.572 14.434 344 HB3 GLU 42 HB3 GLU 42 -11.529 -1.722 13.215 345 HG2 GLU 42 HG2 GLU 42 -9.375 -2.827 13.283 346 HG3 GLU 42 HG3 GLU 42 -8.775 -1.629 14.428 347 H LEU 43 H LEU 43 -10.576 1.999 13.522 348 HA LEU 43 HA LEU 43 -7.747 2.648 13.917 349 HB2 LEU 43 HB2 LEU 43 -9.408 4.253 12.838 350 HB3 LEU 43 HB3 LEU 43 -10.175 4.384 14.405 351 HG LEU 43 HG LEU 43 -7.279 5.101 13.970 352 HD11 LEU 43 HD11 LEU 43 -8.011 7.430 13.798 353 HD12 LEU 43 HD12 LEU 43 -9.694 6.902 13.810 354 HD13 LEU 43 HD13 LEU 43 -8.640 6.457 12.468 355 HD21 LEU 43 HD21 LEU 43 -9.275 5.912 16.084 356 HD22 LEU 43 HD22 LEU 43 -7.585 6.412 15.999 357 HD23 LEU 43 HD23 LEU 43 -7.992 4.721 16.290 358 H GLN 44 H GLN 44 -6.914 2.018 15.815 359 HA GLN 44 HA GLN 44 -8.661 2.073 18.172 360 HB2 GLN 44 HB2 GLN 44 -7.457 -0.045 18.915 361 HB3 GLN 44 HB3 GLN 44 -8.655 -0.215 17.639 362 HG2 GLN 44 HG2 GLN 44 -7.004 -0.461 15.980 363 HG3 GLN 44 HG3 GLN 44 -5.724 0.079 17.066 364 HE21 GLN 44 HE21 GLN 44 -7.972 -2.520 16.364 365 HE22 GLN 44 HE22 GLN 44 -7.071 -3.761 17.175 366 H SER 45 H SER 45 -7.538 2.087 20.191 367 HA SER 45 HA SER 45 -5.300 3.873 20.174 368 HB2 SER 45 HB2 SER 45 -6.587 2.420 22.496 369 HB3 SER 45 HB3 SER 45 -5.593 3.875 22.580 370 HG SER 45 HG SER 45 -7.963 4.157 22.635 371 H GLU 46 H GLU 46 -3.233 3.203 19.944 372 HA GLU 46 HA GLU 46 -2.493 0.471 20.445 373 HB2 GLU 46 HB2 GLU 46 -0.981 2.905 19.565 374 HB3 GLU 46 HB3 GLU 46 -0.107 1.483 20.113 375 HG2 GLU 46 HG2 GLU 46 -1.623 0.243 18.395 376 HG3 GLU 46 HG3 GLU 46 -1.801 1.852 17.697 377 H GLN 47 H GLN 47 -1.972 3.588 22.021 378 HA GLN 47 HA GLN 47 -1.644 2.369 24.577 379 HB2 GLN 47 HB2 GLN 47 0.662 3.103 24.994 380 HB3 GLN 47 HB3 GLN 47 0.589 1.926 23.691 381 HG2 GLN 47 HG2 GLN 47 0.653 3.856 22.085 382 HG3 GLN 47 HG3 GLN 47 0.997 4.894 23.469 383 HE21 GLN 47 HE21 GLN 47 2.203 2.425 21.365 384 HE22 GLN 47 HE22 GLN 47 3.851 2.507 21.875 385 H LEU 48 H LEU 48 -1.643 3.877 26.268 386 HA LEU 48 HA LEU 48 -1.974 6.699 25.508 387 HB2 LEU 48 HB2 LEU 48 -4.177 5.484 25.907 388 HB3 LEU 48 HB3 LEU 48 -3.675 5.284 27.570 389 HG LEU 48 HG LEU 48 -3.987 7.995 26.274 390 HD11 LEU 48 HD11 LEU 48 -6.118 6.804 26.190 391 HD12 LEU 48 HD12 LEU 48 -6.167 8.121 27.361 392 HD13 LEU 48 HD13 LEU 48 -5.996 6.456 27.913 393 HD21 LEU 48 HD21 LEU 48 -3.946 7.153 29.174 394 HD22 LEU 48 HD22 LEU 48 -4.128 8.799 28.568 395 HD23 LEU 48 HD23 LEU 48 -2.616 7.929 28.316 396 H LEU 49 H LEU 49 -0.665 7.978 26.681 397 HA LEU 49 HA LEU 49 0.114 7.058 29.348 398 HB2 LEU 49 HB2 LEU 49 2.419 7.693 29.035 399 HB3 LEU 49 HB3 LEU 49 1.957 6.491 27.861 400 HG LEU 49 HG LEU 49 2.210 9.432 27.246 401 HD11 LEU 49 HD11 LEU 49 4.135 7.158 26.783 402 HD12 LEU 49 HD12 LEU 49 4.362 8.520 27.880 403 HD13 LEU 49 HD13 LEU 49 4.311 8.790 26.138 404 HD21 LEU 49 HD21 LEU 49 0.713 8.184 25.734 405 HD22 LEU 49 HD22 LEU 49 2.018 7.041 25.413 406 HD23 LEU 49 HD23 LEU 49 2.183 8.728 24.926 407 H ASN 50 H ASN 50 0.429 8.629 30.857 408 HA ASN 50 HA ASN 50 -0.363 11.346 30.065 409 HB2 ASN 50 HB2 ASN 50 -1.858 11.457 32.003 410 HB3 ASN 50 HB3 ASN 50 -2.330 10.137 30.940 411 HD21 ASN 50 HD21 ASN 50 -1.081 11.009 34.040 412 HD22 ASN 50 HD22 ASN 50 -1.158 9.432 34.751 413 H ASP 51 H ASP 51 0.377 13.013 31.441 414 HA ASP 51 HA ASP 51 1.830 14.088 32.823 415 HB2 ASP 51 HB2 ASP 51 0.763 12.744 34.591 416 HB3 ASP 51 HB3 ASP 51 1.897 11.435 34.289 417 H CYS 52 H CYS 52 2.679 12.334 30.519 418 HA CYS 52 HA CYS 52 5.457 11.792 31.247 419 HB2 CYS 52 HB2 CYS 52 3.946 11.164 28.701 420 HB3 CYS 52 HB3 CYS 52 5.586 10.647 29.078 421 HG CYS 52 HG CYS 52 4.902 8.443 30.192 422 H SER 53 H SER 53 6.983 12.313 29.227 423 HA SER 53 HA SER 53 6.543 15.180 28.716 424 HB2 SER 53 HB2 SER 53 8.598 14.348 30.050 425 HB3 SER 53 HB3 SER 53 9.204 13.784 28.492 426 HG SER 53 HG SER 53 9.682 15.765 27.974 427 H ILE 54 H ILE 54 7.426 15.998 26.637 428 HA ILE 54 HA ILE 54 6.196 14.610 24.522 429 HB ILE 54 HB ILE 54 6.340 17.011 24.468 430 HG12 ILE 54 HG12 ILE 54 7.268 17.339 22.161 431 HG13 ILE 54 HG13 ILE 54 7.936 15.724 22.245 432 HG21 ILE 54 HG21 ILE 54 8.447 18.194 24.128 433 HG22 ILE 54 HG22 ILE 54 9.322 16.667 24.243 434 HG23 ILE 54 HG23 ILE 54 8.447 17.289 25.643 435 HD11 ILE 54 HD11 ILE 54 5.684 14.805 22.457 436 HD12 ILE 54 HD12 ILE 54 5.874 15.752 20.981 437 HD13 ILE 54 HD13 ILE 54 5.017 16.435 22.363 438 H GLU 55 H GLU 55 9.563 14.795 25.574 439 HA GLU 55 HA GLU 55 10.801 13.606 23.380 440 HB2 GLU 55 HB2 GLU 55 11.489 13.252 26.306 441 HB3 GLU 55 HB3 GLU 55 12.539 12.834 24.962 442 HG2 GLU 55 HG2 GLU 55 13.403 14.856 25.439 443 HG3 GLU 55 HG3 GLU 55 12.119 15.388 24.355 444 H GLU 56 H GLU 56 8.816 12.225 25.878 445 HA GLU 56 HA GLU 56 9.533 9.515 25.312 446 HB2 GLU 56 HB2 GLU 56 7.258 10.742 26.863 447 HB3 GLU 56 HB3 GLU 56 7.479 9.004 26.693 448 HG2 GLU 56 HG2 GLU 56 9.608 9.117 27.804 449 HG3 GLU 56 HG3 GLU 56 9.524 10.875 27.862 450 H PHE 57 H PHE 57 6.585 11.469 24.603 451 HA PHE 57 HA PHE 57 5.157 9.506 23.297 452 HB2 PHE 57 HB2 PHE 57 5.189 12.382 22.408 453 HB3 PHE 57 HB3 PHE 57 3.859 11.236 22.306 454 HD1 PHE 57 HD1 PHE 57 3.437 10.144 24.834 455 HD2 PHE 57 HD2 PHE 57 4.815 14.055 23.901 456 HE1 PHE 57 HE1 PHE 57 2.579 10.957 26.990 457 HE2 PHE 57 HE2 PHE 57 3.966 14.873 26.059 458 HZ PHE 57 HZ PHE 57 2.845 13.325 27.606 459 H LYS 58 H LYS 58 7.809 11.439 22.070 460 HA LYS 58 HA LYS 58 7.364 10.513 19.364 461 HB2 LYS 58 HB2 LYS 58 9.244 12.003 18.771 462 HB3 LYS 58 HB3 LYS 58 7.970 12.828 19.640 463 HG2 LYS 58 HG2 LYS 58 9.689 13.701 20.785 464 HG3 LYS 58 HG3 LYS 58 9.584 12.191 21.691 465 HD2 LYS 58 HD2 LYS 58 11.339 11.214 20.345 466 HD3 LYS 58 HD3 LYS 58 11.389 12.644 19.313 467 HE2 LYS 58 HE2 LYS 58 11.869 12.850 22.266 468 HE3 LYS 58 HE3 LYS 58 13.162 12.372 21.170 469 HZ1 LYS 58 HZ1 LYS 58 12.655 14.902 21.807 470 HZ2 LYS 58 HZ2 LYS 58 11.679 14.762 20.425 471 HZ3 LYS 58 HZ3 LYS 58 13.339 14.432 20.329 472 H GLU 59 H GLU 59 9.806 10.033 21.924 473 HA GLU 59 HA GLU 59 11.350 8.408 20.048 474 HB2 GLU 59 HB2 GLU 59 12.377 10.308 21.370 475 HB3 GLU 59 HB3 GLU 59 12.232 9.281 22.787 476 HG2 GLU 59 HG2 GLU 59 13.738 7.687 21.898 477 HG3 GLU 59 HG3 GLU 59 13.709 8.450 20.309 478 H GLU 60 H GLU 60 9.083 7.825 22.491 479 HA GLU 60 HA GLU 60 10.222 5.709 23.914 480 HB2 GLU 60 HB2 GLU 60 7.360 6.314 23.225 481 HB3 GLU 60 HB3 GLU 60 7.787 4.849 24.094 482 HG2 GLU 60 HG2 GLU 60 8.087 7.698 24.972 483 HG3 GLU 60 HG3 GLU 60 7.178 6.394 25.734 484 H LEU 61 H LEU 61 8.155 5.514 21.007 485 HA LEU 61 HA LEU 61 9.334 2.848 20.543 486 HB2 LEU 61 HB2 LEU 61 6.478 3.727 20.243 487 HB3 LEU 61 HB3 LEU 61 7.103 2.372 19.326 488 HG LEU 61 HG LEU 61 7.787 1.390 21.612 489 HD11 LEU 61 HD11 LEU 61 6.438 2.103 23.501 490 HD12 LEU 61 HD12 LEU 61 5.732 3.394 22.531 491 HD13 LEU 61 HD13 LEU 61 7.451 3.427 22.924 492 HD21 LEU 61 HD21 LEU 61 4.880 1.661 20.859 493 HD22 LEU 61 HD22 LEU 61 5.560 0.427 21.918 494 HD23 LEU 61 HD23 LEU 61 6.021 0.476 20.217 495 HA PRO 62 HA PRO 62 10.451 4.555 16.576 496 HB2 PRO 62 HB2 PRO 62 11.087 1.803 15.831 497 HB3 PRO 62 HB3 PRO 62 12.172 3.183 16.011 498 HG2 PRO 62 HG2 PRO 62 12.173 1.092 17.732 499 HG3 PRO 62 HG3 PRO 62 12.576 2.746 18.229 500 HD2 PRO 62 HD2 PRO 62 10.023 1.225 18.593 501 HD3 PRO 62 HD3 PRO 62 10.860 2.315 19.720 502 H SER 63 H SER 63 8.416 5.048 15.809 503 HA SER 63 HA SER 63 6.362 3.255 15.274 504 HB2 SER 63 HB2 SER 63 5.960 5.635 15.492 505 HB3 SER 63 HB3 SER 63 6.924 5.962 14.053 506 HG SER 63 HG SER 63 5.112 5.753 13.017 507 H GLN 64 H GLN 64 8.771 4.619 13.069 508 HA GLN 64 HA GLN 64 9.277 4.303 10.895 509 HB2 GLN 64 HB2 GLN 64 9.917 2.121 10.261 510 HB3 GLN 64 HB3 GLN 64 10.198 2.237 11.987 511 HG2 GLN 64 HG2 GLN 64 8.063 1.020 12.354 512 HG3 GLN 64 HG3 GLN 64 7.942 0.805 10.608 513 HE21 GLN 64 HE21 GLN 64 9.415 -0.553 9.560 514 HE22 GLN 64 HE22 GLN 64 10.365 -1.713 10.422 515 H GLN 65 H GLN 65 6.364 4.504 11.667 516 HA GLN 65 HA GLN 65 5.279 3.994 9.014 517 HB2 GLN 65 HB2 GLN 65 4.016 2.982 11.577 518 HB3 GLN 65 HB3 GLN 65 3.170 3.080 10.042 519 HG2 GLN 65 HG2 GLN 65 4.832 1.519 9.083 520 HG3 GLN 65 HG3 GLN 65 5.550 1.359 10.686 521 HE21 GLN 65 HE21 GLN 65 2.818 0.625 8.680 522 HE22 GLN 65 HE22 GLN 65 2.109 -0.554 9.722 523 HA PRO 66 HA PRO 66 3.369 7.907 9.902 524 HB2 PRO 66 HB2 PRO 66 1.019 7.237 8.312 525 HB3 PRO 66 HB3 PRO 66 2.329 8.359 7.936 526 HG2 PRO 66 HG2 PRO 66 1.959 6.021 6.607 527 HG3 PRO 66 HG3 PRO 66 3.554 6.764 6.831 528 HD2 PRO 66 HD2 PRO 66 2.283 4.505 8.340 529 HD3 PRO 66 HD3 PRO 66 3.958 4.676 7.767 530 H ARG 67 H ARG 67 2.961 6.899 12.165 531 HA ARG 67 HA ARG 67 0.106 6.312 12.566 532 HB2 ARG 67 HB2 ARG 67 2.299 6.133 14.639 533 HB3 ARG 67 HB3 ARG 67 0.688 5.441 14.724 534 HG2 ARG 67 HG2 ARG 67 1.284 3.906 12.890 535 HG3 ARG 67 HG3 ARG 67 2.923 4.565 12.908 536 HD2 ARG 67 HD2 ARG 67 2.743 3.980 15.477 537 HD3 ARG 67 HD3 ARG 67 1.545 2.827 14.892 538 HE ARG 67 HE ARG 67 4.040 2.744 13.463 539 HH11 ARG 67 HH11 ARG 67 2.218 1.507 16.187 540 HH12 ARG 67 HH12 ARG 67 3.266 0.135 16.422 541 HH21 ARG 67 HH21 ARG 67 5.434 0.965 13.782 542 HH22 ARG 67 HH22 ARG 67 5.111 -0.166 15.059 543 H PHE 68 H PHE 68 -0.994 7.427 14.389 544 HA PHE 68 HA PHE 68 0.171 10.112 14.648 545 HB2 PHE 68 HB2 PHE 68 -2.176 11.029 14.584 546 HB3 PHE 68 HB3 PHE 68 -1.519 10.448 13.064 547 HD1 PHE 68 HD1 PHE 68 -2.198 8.059 12.353 548 HD2 PHE 68 HD2 PHE 68 -4.251 10.341 15.301 549 HE1 PHE 68 HE1 PHE 68 -4.210 6.692 12.006 550 HE2 PHE 68 HE2 PHE 68 -6.265 8.972 14.958 551 HZ PHE 68 HZ PHE 68 -6.246 7.146 13.313 552 H ILE 69 H ILE 69 0.086 11.117 16.472 553 HA ILE 69 HA ILE 69 -0.989 9.626 18.759 554 HB ILE 69 HB ILE 69 1.366 9.602 18.927 555 HG12 ILE 69 HG12 ILE 69 -0.072 10.639 20.926 556 HG13 ILE 69 HG13 ILE 69 1.672 10.435 21.033 557 HG21 ILE 69 HG21 ILE 69 1.909 11.225 17.231 558 HG22 ILE 69 HG22 ILE 69 2.787 11.598 18.715 559 HG23 ILE 69 HG23 ILE 69 1.364 12.541 18.270 560 HD11 ILE 69 HD11 ILE 69 1.973 12.781 20.407 561 HD12 ILE 69 HD12 ILE 69 0.991 12.608 21.863 562 HD13 ILE 69 HD13 ILE 69 0.224 12.976 20.317 563 H LEU 70 H LEU 70 -2.599 10.559 19.787 564 HA LEU 70 HA LEU 70 -3.121 13.397 19.317 565 HB2 LEU 70 HB2 LEU 70 -4.904 11.642 18.958 566 HB3 LEU 70 HB3 LEU 70 -4.890 11.369 20.688 567 HG LEU 70 HG LEU 70 -5.431 14.118 19.611 568 HD11 LEU 70 HD11 LEU 70 -7.478 11.935 19.970 569 HD12 LEU 70 HD12 LEU 70 -6.941 12.591 18.424 570 HD13 LEU 70 HD13 LEU 70 -7.805 13.620 19.567 571 HD21 LEU 70 HD21 LEU 70 -6.711 14.328 21.673 572 HD22 LEU 70 HD22 LEU 70 -5.054 13.833 22.020 573 HD23 LEU 70 HD23 LEU 70 -6.360 12.649 22.078 574 H LEU 71 H LEU 71 -2.089 14.654 20.690 575 HA LEU 71 HA LEU 71 -1.899 13.822 23.499 576 HB2 LEU 71 HB2 LEU 71 0.291 14.158 22.760 577 HB3 LEU 71 HB3 LEU 71 -0.157 15.519 21.748 578 HG LEU 71 HG LEU 71 -0.429 15.883 24.689 579 HD11 LEU 71 HD11 LEU 71 1.710 14.726 24.502 580 HD12 LEU 71 HD12 LEU 71 1.945 16.429 24.896 581 HD13 LEU 71 HD13 LEU 71 2.222 15.858 23.250 582 HD21 LEU 71 HD21 LEU 71 -1.016 17.666 23.112 583 HD22 LEU 71 HD22 LEU 71 0.618 17.617 22.450 584 HD23 LEU 71 HD23 LEU 71 0.359 18.123 24.120 585 H SER 72 H SER 72 -2.671 15.092 25.097 586 HA SER 72 HA SER 72 -4.230 17.447 24.296 587 HB2 SER 72 HB2 SER 72 -5.448 15.639 25.522 588 HB3 SER 72 HB3 SER 72 -4.354 15.864 26.885 589 HG SER 72 HG SER 72 -5.893 17.991 25.827 590 H TRP 73 H TRP 73 -3.321 19.344 24.675 591 HA TRP 73 HA TRP 73 -1.045 19.419 26.536 592 HB2 TRP 73 HB2 TRP 73 -0.261 19.726 24.319 593 HB3 TRP 73 HB3 TRP 73 -1.564 20.836 23.933 594 HD1 TRP 73 HD1 TRP 73 -0.979 23.330 24.069 595 HE1 TRP 73 HE1 TRP 73 0.973 24.704 25.025 596 HE3 TRP 73 HE3 TRP 73 1.545 19.591 26.466 597 HZ2 TRP 73 HZ2 TRP 73 3.281 24.262 26.591 598 HZ3 TRP 73 HZ3 TRP 73 3.615 20.145 27.669 599 HH2 TRP 73 HH2 TRP 73 4.464 22.436 27.729 600 H CYS 74 H CYS 74 -1.235 20.662 28.250 601 HA CYS 74 HA CYS 74 -3.467 22.341 28.711 602 HB2 CYS 74 HB2 CYS 74 -2.078 23.097 30.710 603 HB3 CYS 74 HB3 CYS 74 -2.443 21.377 30.619 604 HG CYS 74 HG CYS 74 0.529 22.791 29.689 605 H LYS 75 H LYS 75 -3.739 24.019 27.377 606 HA LYS 75 HA LYS 75 -1.536 25.953 27.132 607 HB2 LYS 75 HB2 LYS 75 -1.855 24.617 25.047 608 HB3 LYS 75 HB3 LYS 75 -3.506 25.203 24.959 609 HG2 LYS 75 HG2 LYS 75 -1.346 27.229 25.080 610 HG3 LYS 75 HG3 LYS 75 -1.524 26.305 23.589 611 HD2 LYS 75 HD2 LYS 75 -3.699 27.897 24.948 612 HD3 LYS 75 HD3 LYS 75 -2.795 28.402 23.521 613 HE2 LYS 75 HE2 LYS 75 -4.516 25.928 23.681 614 HE3 LYS 75 HE3 LYS 75 -5.035 27.466 22.998 615 HZ1 LYS 75 HZ1 LYS 75 -4.285 25.871 21.310 616 HZ2 LYS 75 HZ2 LYS 75 -2.729 25.869 21.996 617 HZ3 LYS 75 HZ3 LYS 75 -3.356 27.284 21.312 618 H LYS 76 H LYS 76 -2.212 27.486 28.502 619 HA LYS 76 HA LYS 76 -4.980 28.234 28.714 620 HB2 LYS 76 HB2 LYS 76 -3.665 28.313 30.724 621 HB3 LYS 76 HB3 LYS 76 -2.472 29.355 29.968 622 HG2 LYS 76 HG2 LYS 76 -4.059 31.168 29.864 623 HG3 LYS 76 HG3 LYS 76 -5.328 30.124 30.507 624 HD2 LYS 76 HD2 LYS 76 -2.776 30.658 31.995 625 HD3 LYS 76 HD3 LYS 76 -4.191 31.702 32.151 626 HE2 LYS 76 HE2 LYS 76 -5.516 29.793 32.893 627 HE3 LYS 76 HE3 LYS 76 -4.116 28.738 32.706 628 HZ1 LYS 76 HZ1 LYS 76 -4.100 31.091 34.505 629 HZ2 LYS 76 HZ2 LYS 76 -3.017 29.781 34.478 630 HZ3 LYS 76 HZ3 LYS 76 -4.607 29.555 35.020 631 H HIS 77 H HIS 77 -5.965 30.000 27.916 632 HA HIS 77 HA HIS 77 -4.411 31.617 26.011 633 HB2 HIS 77 HB2 HIS 77 -6.296 30.255 25.075 634 HB3 HIS 77 HB3 HIS 77 -7.408 31.164 26.088 635 HD1 HIS 77 HD1 HIS 77 -4.693 32.148 23.569 636 HD2 HIS 77 HD2 HIS 77 -8.627 33.047 24.607 637 HE1 HIS 77 HE1 HIS 77 -5.440 33.934 21.956 638 HE2 HIS 77 HE2 HIS 77 -7.820 34.464 22.598 639 H SER 78 H SER 78 -5.201 33.908 25.816 640 HA SER 78 HA SER 78 -5.076 35.211 28.295 641 HB2 SER 78 HB2 SER 78 -5.828 37.203 26.725 642 HB3 SER 78 HB3 SER 78 -4.224 36.481 26.582 643 HG SER 78 HG SER 78 -5.191 36.639 24.545 644 H ASP 79 H ASP 79 -7.633 33.572 27.116 645 HA ASP 79 HA ASP 79 -9.769 35.344 27.884 646 HB2 ASP 79 HB2 ASP 79 -9.918 33.543 26.097 647 HB3 ASP 79 HB3 ASP 79 -9.929 32.364 27.402 648 H GLU 80 H GLU 80 -7.520 34.146 29.689 649 HA GLU 80 HA GLU 80 -7.262 33.961 31.927 650 HB2 GLU 80 HB2 GLU 80 -10.220 34.554 32.026 651 HB3 GLU 80 HB3 GLU 80 -9.153 34.507 33.423 652 HG2 GLU 80 HG2 GLU 80 -7.876 36.365 32.547 653 HG3 GLU 80 HG3 GLU 80 -8.873 36.388 31.092 654 H ARG 81 H ARG 81 -7.980 31.654 30.226 655 HA ARG 81 HA ARG 81 -8.562 29.831 32.409 656 HB2 ARG 81 HB2 ARG 81 -10.282 28.620 31.147 657 HB3 ARG 81 HB3 ARG 81 -10.767 30.279 31.463 658 HG2 ARG 81 HG2 ARG 81 -9.912 30.805 29.123 659 HG3 ARG 81 HG3 ARG 81 -9.872 29.058 28.874 660 HD2 ARG 81 HD2 ARG 81 -12.279 30.720 29.610 661 HD3 ARG 81 HD3 ARG 81 -11.956 29.976 28.046 662 HE ARG 81 HE ARG 81 -12.185 27.796 29.178 663 HH11 ARG 81 HH11 ARG 81 -13.490 30.646 30.753 664 HH12 ARG 81 HH12 ARG 81 -14.710 29.763 31.625 665 HH21 ARG 81 HH21 ARG 81 -13.796 26.633 30.310 666 HH22 ARG 81 HH22 ARG 81 -14.884 27.477 31.375 667 H ILE 82 H ILE 82 -7.461 27.991 32.307 668 HA ILE 82 HA ILE 82 -5.676 27.633 30.048 669 HB ILE 82 HB ILE 82 -4.670 27.384 32.218 670 HG12 ILE 82 HG12 ILE 82 -4.932 24.670 30.908 671 HG13 ILE 82 HG13 ILE 82 -3.851 25.954 30.376 672 HG21 ILE 82 HG21 ILE 82 -6.665 25.185 32.734 673 HG22 ILE 82 HG22 ILE 82 -6.597 26.756 33.535 674 HG23 ILE 82 HG23 ILE 82 -5.296 25.589 33.773 675 HD11 ILE 82 HD11 ILE 82 -2.649 25.824 32.491 676 HD12 ILE 82 HD12 ILE 82 -2.672 24.265 31.667 677 HD13 ILE 82 HD13 ILE 82 -3.744 24.552 33.039 678 H SER 83 H SER 83 -6.558 26.741 28.343 679 HA SER 83 HA SER 83 -8.512 24.605 28.640 680 HB2 SER 83 HB2 SER 83 -7.445 25.922 26.127 681 HB3 SER 83 HB3 SER 83 -8.843 24.850 26.236 682 HG SER 83 HG SER 83 -9.308 26.714 27.981 683 H TYR 84 H TYR 84 -8.214 22.557 27.543 684 HA TYR 84 HA TYR 84 -5.396 21.921 27.030 685 HB2 TYR 84 HB2 TYR 84 -6.005 19.554 27.780 686 HB3 TYR 84 HB3 TYR 84 -5.866 20.778 29.035 687 HD1 TYR 84 HD1 TYR 84 -8.046 18.390 27.419 688 HD2 TYR 84 HD2 TYR 84 -7.949 21.722 30.058 689 HE1 TYR 84 HE1 TYR 84 -10.290 17.804 28.231 690 HE2 TYR 84 HE2 TYR 84 -10.194 21.145 30.875 691 HH TYR 84 HH TYR 84 -12.179 19.917 30.114 692 HA PRO 85 HA PRO 85 -7.834 21.249 23.159 693 HB2 PRO 85 HB2 PRO 85 -5.779 22.032 21.532 694 HB3 PRO 85 HB3 PRO 85 -6.984 23.145 22.190 695 HG2 PRO 85 HG2 PRO 85 -4.211 22.569 23.153 696 HG3 PRO 85 HG3 PRO 85 -5.048 24.126 23.014 697 HD2 PRO 85 HD2 PRO 85 -4.795 22.854 25.370 698 HD3 PRO 85 HD3 PRO 85 -6.240 23.804 24.967 699 H MET 86 H MET 86 -7.746 19.449 21.932 700 HA MET 86 HA MET 86 -5.464 17.665 22.364 701 HB2 MET 86 HB2 MET 86 -8.106 16.997 21.049 702 HB3 MET 86 HB3 MET 86 -6.883 15.867 21.602 703 HG2 MET 86 HG2 MET 86 -8.524 15.729 23.224 704 HG3 MET 86 HG3 MET 86 -7.341 16.825 23.937 705 HE1 MET 86 HE1 MET 86 -10.722 18.252 25.284 706 HE2 MET 86 HE2 MET 86 -9.109 17.674 25.707 707 HE3 MET 86 HE3 MET 86 -10.299 16.559 25.036 708 H LEU 87 H LEU 87 -4.129 17.129 20.732 709 HA LEU 87 HA LEU 87 -4.988 17.727 18.009 710 HB2 LEU 87 HB2 LEU 87 -2.729 18.610 17.430 711 HB3 LEU 87 HB3 LEU 87 -3.683 19.645 18.453 712 HG LEU 87 HG LEU 87 -1.307 19.709 19.017 713 HD11 LEU 87 HD11 LEU 87 -1.478 19.350 21.426 714 HD12 LEU 87 HD12 LEU 87 -3.003 18.500 21.180 715 HD13 LEU 87 HD13 LEU 87 -2.869 20.209 20.765 716 HD21 LEU 87 HD21 LEU 87 -0.641 17.462 18.421 717 HD22 LEU 87 HD22 LEU 87 -1.596 16.804 19.750 718 HD23 LEU 87 HD23 LEU 87 -0.195 17.820 20.089 719 H LEU 88 H LEU 88 -4.008 16.474 16.405 720 HA LEU 88 HA LEU 88 -2.622 14.105 17.483 721 HB2 LEU 88 HB2 LEU 88 -3.833 12.647 16.015 722 HB3 LEU 88 HB3 LEU 88 -4.982 13.570 16.958 723 HG LEU 88 HG LEU 88 -4.829 15.092 14.715 724 HD11 LEU 88 HD11 LEU 88 -4.537 12.231 13.818 725 HD12 LEU 88 HD12 LEU 88 -3.351 13.516 13.585 726 HD13 LEU 88 HD13 LEU 88 -4.920 13.607 12.782 727 HD21 LEU 88 HD21 LEU 88 -6.868 14.381 15.812 728 HD22 LEU 88 HD22 LEU 88 -6.633 12.734 15.224 729 HD23 LEU 88 HD23 LEU 88 -6.959 14.040 14.083 730 H ILE 89 H ILE 89 -0.787 13.637 16.521 731 HA ILE 89 HA ILE 89 -0.217 15.005 13.978 732 HB ILE 89 HB ILE 89 1.668 14.563 16.292 733 HG12 ILE 89 HG12 ILE 89 0.591 17.131 15.122 734 HG13 ILE 89 HG13 ILE 89 -0.042 16.367 16.575 735 HG21 ILE 89 HG21 ILE 89 3.312 15.812 14.996 736 HG22 ILE 89 HG22 ILE 89 2.179 15.911 13.649 737 HG23 ILE 89 HG23 ILE 89 2.822 14.345 14.145 738 HD11 ILE 89 HD11 ILE 89 1.466 18.209 17.097 739 HD12 ILE 89 HD12 ILE 89 2.764 17.407 16.213 740 HD13 ILE 89 HD13 ILE 89 2.111 16.675 17.678 741 H TYR 90 H TYR 90 0.040 13.594 12.398 742 HA TYR 90 HA TYR 90 1.038 10.936 13.081 743 HB2 TYR 90 HB2 TYR 90 0.255 10.218 10.852 744 HB3 TYR 90 HB3 TYR 90 -1.031 10.882 11.838 745 HD1 TYR 90 HD1 TYR 90 -1.845 13.237 11.332 746 HD2 TYR 90 HD2 TYR 90 0.698 11.064 8.708 747 HE1 TYR 90 HE1 TYR 90 -2.515 14.708 9.480 748 HE2 TYR 90 HE2 TYR 90 0.040 12.531 6.848 749 HH TYR 90 HH TYR 90 -1.422 15.446 7.218 750 H TYR 91 H TYR 91 3.039 10.519 12.834 751 HA TYR 91 HA TYR 91 4.625 12.167 11.003 752 HB2 TYR 91 HB2 TYR 91 6.565 11.195 12.441 753 HB3 TYR 91 HB3 TYR 91 5.559 12.470 13.119 754 HD1 TYR 91 HD1 TYR 91 3.989 11.993 14.918 755 HD2 TYR 91 HD2 TYR 91 6.480 8.931 13.332 756 HE1 TYR 91 HE1 TYR 91 3.486 10.583 16.864 757 HE2 TYR 91 HE2 TYR 91 5.979 7.514 15.277 758 HH TYR 91 HH TYR 91 5.243 7.891 17.689 759 H CYS 92 H CYS 92 5.472 11.274 9.272 760 HA CYS 92 HA CYS 92 5.505 8.338 9.095 761 HB2 CYS 92 HB2 CYS 92 5.355 8.856 6.556 762 HB3 CYS 92 HB3 CYS 92 3.900 8.997 7.537 763 HG CYS 92 HG CYS 92 3.588 11.607 7.372 764 HA PRO 93 HA PRO 93 9.829 9.673 8.583 765 HB2 PRO 93 HB2 PRO 93 10.935 8.102 10.418 766 HB3 PRO 93 HB3 PRO 93 9.959 9.498 10.895 767 HG2 PRO 93 HG2 PRO 93 9.256 6.599 10.910 768 HG3 PRO 93 HG3 PRO 93 8.794 7.874 12.051 769 HD2 PRO 93 HD2 PRO 93 7.246 6.893 9.906 770 HD3 PRO 93 HD3 PRO 93 6.921 8.348 10.867 771 H ASN 94 H ASN 94 11.669 7.482 9.177 772 HA ASN 94 HA ASN 94 11.874 6.427 6.554 773 HB2 ASN 94 HB2 ASN 94 13.368 5.690 9.082 774 HB3 ASN 94 HB3 ASN 94 13.811 5.162 7.462 775 HD21 ASN 94 HD21 ASN 94 15.281 6.782 9.428 776 HD22 ASN 94 HD22 ASN 94 15.658 8.270 8.623 777 H GLY 95 H GLY 95 11.098 4.621 5.707 778 HA2 GLY 95 HA2 GLY 95 10.558 2.294 5.804 779 HA3 GLY 95 HA3 GLY 95 10.211 2.476 7.517 780 H SER 96 H SER 96 8.843 5.111 6.235 781 HA SER 96 HA SER 96 6.229 3.816 6.214 782 HB2 SER 96 HB2 SER 96 6.954 6.751 6.292 783 HB3 SER 96 HB3 SER 96 5.336 6.077 6.499 784 HG SER 96 HG SER 96 7.228 4.973 8.153 785 H SER 97 H SER 97 5.331 3.277 4.355 786 HA SER 97 HA SER 97 6.249 4.313 1.847 787 HB2 SER 97 HB2 SER 97 3.863 2.544 2.435 788 HB3 SER 97 HB3 SER 97 4.645 2.768 0.870 789 HG SER 97 HG SER 97 5.202 0.901 2.512 790 HA PRO 98 HA PRO 98 3.574 7.771 1.286 791 HB2 PRO 98 HB2 PRO 98 2.909 7.396 -1.382 792 HB3 PRO 98 HB3 PRO 98 4.371 8.194 -0.795 793 HG2 PRO 98 HG2 PRO 98 3.990 5.391 -1.746 794 HG3 PRO 98 HG3 PRO 98 5.362 6.488 -1.996 795 HD2 PRO 98 HD2 PRO 98 5.457 4.491 -0.209 796 HD3 PRO 98 HD3 PRO 98 6.250 6.050 0.096 797 H GLU 99 H GLU 99 2.406 4.643 0.070 798 HA GLU 99 HA GLU 99 -0.308 5.383 -0.156 799 HB2 GLU 99 HB2 GLU 99 0.760 2.642 0.499 800 HB3 GLU 99 HB3 GLU 99 -0.832 3.010 -0.129 801 HG2 GLU 99 HG2 GLU 99 0.381 2.190 -1.947 802 HG3 GLU 99 HG3 GLU 99 0.331 3.936 -2.171 803 H LEU 100 H LEU 100 1.651 4.289 2.538 804 HA LEU 100 HA LEU 100 -0.547 3.840 4.308 805 HB2 LEU 100 HB2 LEU 100 2.342 4.383 4.979 806 HB3 LEU 100 HB3 LEU 100 1.138 3.734 6.071 807 HG LEU 100 HG LEU 100 2.181 2.356 3.596 808 HD11 LEU 100 HD11 LEU 100 3.246 0.828 5.161 809 HD12 LEU 100 HD12 LEU 100 2.639 1.774 6.519 810 HD13 LEU 100 HD13 LEU 100 3.821 2.476 5.414 811 HD21 LEU 100 HD21 LEU 100 -0.142 1.785 4.036 812 HD22 LEU 100 HD22 LEU 100 0.249 1.429 5.719 813 HD23 LEU 100 HD23 LEU 100 0.913 0.426 4.429 814 H GLN 101 H GLN 101 1.579 6.545 3.569 815 HA GLN 101 HA GLN 101 0.649 8.330 5.539 816 HB2 GLN 101 HB2 GLN 101 1.581 8.947 2.722 817 HB3 GLN 101 HB3 GLN 101 1.432 10.117 4.026 818 HG2 GLN 101 HG2 GLN 101 3.159 8.981 5.282 819 HG3 GLN 101 HG3 GLN 101 3.268 7.740 4.036 820 HE21 GLN 101 HE21 GLN 101 5.432 8.166 3.625 821 HE22 GLN 101 HE22 GLN 101 5.963 9.605 2.823 822 H MET 102 H MET 102 -0.409 7.701 2.228 823 HA MET 102 HA MET 102 -2.657 9.385 2.201 824 HB2 MET 102 HB2 MET 102 -1.991 6.851 0.706 825 HB3 MET 102 HB3 MET 102 -3.439 7.780 0.375 826 HG2 MET 102 HG2 MET 102 -0.595 8.723 0.098 827 HG3 MET 102 HG3 MET 102 -1.711 8.336 -1.211 828 HE1 MET 102 HE1 MET 102 -3.889 9.784 -1.784 829 HE2 MET 102 HE2 MET 102 -4.393 11.185 -0.838 830 HE3 MET 102 HE3 MET 102 -4.433 9.576 -0.119 831 H LEU 103 H LEU 103 -2.163 6.153 3.396 832 HA LEU 103 HA LEU 103 -4.857 5.423 3.800 833 HB2 LEU 103 HB2 LEU 103 -3.187 3.731 3.730 834 HB3 LEU 103 HB3 LEU 103 -2.252 4.500 4.997 835 HG LEU 103 HG LEU 103 -4.012 3.933 6.625 836 HD11 LEU 103 HD11 LEU 103 -5.911 3.880 5.083 837 HD12 LEU 103 HD12 LEU 103 -5.787 2.385 6.010 838 HD13 LEU 103 HD13 LEU 103 -5.256 2.426 4.328 839 HD21 LEU 103 HD21 LEU 103 -2.992 1.578 5.045 840 HD22 LEU 103 HD22 LEU 103 -3.563 1.542 6.713 841 HD23 LEU 103 HD23 LEU 103 -2.105 2.444 6.300 842 H TYR 104 H TYR 104 -2.403 6.516 6.145 843 HA TYR 104 HA TYR 104 -4.262 6.689 8.279 844 HB2 TYR 104 HB2 TYR 104 -1.455 7.711 7.936 845 HB3 TYR 104 HB3 TYR 104 -2.379 7.963 9.415 846 HD1 TYR 104 HD1 TYR 104 -2.784 6.168 10.944 847 HD2 TYR 104 HD2 TYR 104 -0.779 5.434 7.267 848 HE1 TYR 104 HE1 TYR 104 -2.095 3.958 11.762 849 HE2 TYR 104 HE2 TYR 104 -0.087 3.221 8.078 850 HH TYR 104 HH TYR 104 -1.468 1.760 10.736 851 H ALA 105 H ALA 105 -2.741 9.191 6.235 852 HA ALA 105 HA ALA 105 -4.106 11.367 7.405 853 HB1 ALA 105 HB1 ALA 105 -3.101 11.091 4.574 854 HB2 ALA 105 HB2 ALA 105 -2.164 11.673 5.951 855 HB3 ALA 105 HB3 ALA 105 -3.550 12.598 5.370 856 H GLY 106 H GLY 106 -5.163 8.832 5.400 857 HA2 GLY 106 HA2 GLY 106 -7.400 10.203 4.215 858 HA3 GLY 106 HA3 GLY 106 -7.083 8.475 4.168 859 H SER 107 H SER 107 -6.836 8.848 7.303 860 HA SER 107 HA SER 107 -9.722 8.988 7.819 861 HB2 SER 107 HB2 SER 107 -7.861 6.904 8.947 862 HB3 SER 107 HB3 SER 107 -9.568 7.088 9.357 863 HG SER 107 HG SER 107 -9.200 6.965 6.678 864 H ARG 108 H ARG 108 -6.770 10.276 8.571 865 HA ARG 108 HA ARG 108 -7.030 10.558 11.373 866 HB2 ARG 108 HB2 ARG 108 -5.312 12.295 11.233 867 HB3 ARG 108 HB3 ARG 108 -4.854 10.852 10.345 868 HG2 ARG 108 HG2 ARG 108 -4.160 12.592 8.979 869 HG3 ARG 108 HG3 ARG 108 -5.700 12.112 8.266 870 HD2 ARG 108 HD2 ARG 108 -6.809 13.995 9.123 871 HD3 ARG 108 HD3 ARG 108 -5.533 14.322 10.293 872 HE ARG 108 HE ARG 108 -4.323 15.413 8.658 873 HH11 ARG 108 HH11 ARG 108 -7.089 13.836 7.180 874 HH12 ARG 108 HH12 ARG 108 -6.916 14.677 5.675 875 HH21 ARG 108 HH21 ARG 108 -4.130 16.548 6.715 876 HH22 ARG 108 HH22 ARG 108 -5.237 16.232 5.405 877 H ASN 109 H ASN 109 -8.612 12.107 8.773 878 HA ASN 109 HA ASN 109 -9.265 14.466 10.340 879 HB2 ASN 109 HB2 ASN 109 -10.490 15.209 8.343 880 HB3 ASN 109 HB3 ASN 109 -8.837 14.747 7.952 881 HD21 ASN 109 HD21 ASN 109 -12.170 14.112 7.462 882 HD22 ASN 109 HD22 ASN 109 -11.972 12.857 6.276 883 H PHE 110 H PHE 110 -10.586 11.376 9.609 884 HA PHE 110 HA PHE 110 -13.304 11.988 10.216 885 HB2 PHE 110 HB2 PHE 110 -11.775 9.390 10.073 886 HB3 PHE 110 HB3 PHE 110 -13.480 9.460 10.501 887 HD1 PHE 110 HD1 PHE 110 -11.039 9.767 7.818 888 HD2 PHE 110 HD2 PHE 110 -15.151 10.124 8.854 889 HE1 PHE 110 HE1 PHE 110 -11.638 9.751 5.433 890 HE2 PHE 110 HE2 PHE 110 -15.755 10.109 6.469 891 HZ PHE 110 HZ PHE 110 -13.999 9.923 4.756 892 H ILE 111 H ILE 111 -10.516 10.924 12.052 893 HA ILE 111 HA ILE 111 -12.000 10.405 14.444 894 HB ILE 111 HB ILE 111 -9.925 9.209 14.007 895 HG12 ILE 111 HG12 ILE 111 -10.727 9.981 16.407 896 HG13 ILE 111 HG13 ILE 111 -9.229 9.097 16.185 897 HG21 ILE 111 HG21 ILE 111 -8.694 10.899 12.809 898 HG22 ILE 111 HG22 ILE 111 -7.745 10.313 14.176 899 HG23 ILE 111 HG23 ILE 111 -8.558 11.876 14.271 900 HD11 ILE 111 HD11 ILE 111 -9.478 12.080 16.502 901 HD12 ILE 111 HD12 ILE 111 -7.972 11.182 16.310 902 HD13 ILE 111 HD13 ILE 111 -8.964 10.942 17.747 903 H VAL 112 H VAL 112 -10.553 13.209 13.012 904 HA VAL 112 HA VAL 112 -10.163 14.849 15.227 905 HB VAL 112 HB VAL 112 -11.148 15.631 12.471 906 HG11 VAL 112 HG11 VAL 112 -9.938 17.355 14.628 907 HG12 VAL 112 HG12 VAL 112 -11.617 17.396 14.090 908 HG13 VAL 112 HG13 VAL 112 -10.325 17.870 12.987 909 HG21 VAL 112 HG21 VAL 112 -8.991 14.491 12.458 910 HG22 VAL 112 HG22 VAL 112 -8.375 15.634 13.653 911 HG23 VAL 112 HG23 VAL 112 -8.817 16.196 12.040 912 H ASN 113 H ASN 113 -13.087 13.821 13.669 913 HA ASN 113 HA ASN 113 -14.776 15.809 14.901 914 HB2 ASN 113 HB2 ASN 113 -15.303 14.829 12.689 915 HB3 ASN 113 HB3 ASN 113 -15.506 13.253 13.447 916 HD21 ASN 113 HD21 ASN 113 -17.364 12.805 14.576 917 HD22 ASN 113 HD22 ASN 113 -18.738 13.861 14.586 918 H GLU 114 H GLU 114 -13.490 12.765 15.774 919 HA GLU 114 HA GLU 114 -15.620 11.799 17.377 920 HB2 GLU 114 HB2 GLU 114 -12.874 11.006 16.754 921 HB3 GLU 114 HB3 GLU 114 -13.389 10.570 18.377 922 HG2 GLU 114 HG2 GLU 114 -14.733 9.819 15.791 923 HG3 GLU 114 HG3 GLU 114 -13.841 8.751 16.877 924 H CYS 115 H CYS 115 -12.921 13.930 18.056 925 HA CYS 115 HA CYS 115 -13.938 14.156 20.805 926 HB2 CYS 115 HB2 CYS 115 -11.053 13.848 19.976 927 HB3 CYS 115 HB3 CYS 115 -11.543 14.424 21.565 928 HG CYS 115 HG CYS 115 -11.194 11.980 22.383 929 H HIS 116 H HIS 116 -13.954 15.797 18.188 930 HA HIS 116 HA HIS 116 -13.682 17.952 17.494 931 HB2 HIS 116 HB2 HIS 116 -15.215 18.376 19.375 932 HB3 HIS 116 HB3 HIS 116 -13.853 18.477 20.480 933 HD1 HIS 116 HD1 HIS 116 -12.999 20.745 20.924 934 HD2 HIS 116 HD2 HIS 116 -15.114 20.569 17.345 935 HE1 HIS 116 HE1 HIS 116 -13.154 23.120 20.109 936 HE2 HIS 116 HE2 HIS 116 -14.300 22.974 17.870 937 H VAL 117 H VAL 117 -11.440 16.737 17.244 938 HA VAL 117 HA VAL 117 -9.236 17.590 18.774 939 HB VAL 117 HB VAL 117 -9.295 16.707 15.882 940 HG11 VAL 117 HG11 VAL 117 -7.219 17.856 16.406 941 HG12 VAL 117 HG12 VAL 117 -6.932 16.125 16.229 942 HG13 VAL 117 HG13 VAL 117 -7.001 16.846 17.836 943 HG21 VAL 117 HG21 VAL 117 -8.670 14.511 16.768 944 HG22 VAL 117 HG22 VAL 117 -10.245 15.036 17.363 945 HG23 VAL 117 HG23 VAL 117 -8.828 15.134 18.409 946 H SER 118 H SER 118 -8.006 19.375 18.708 947 HA SER 118 HA SER 118 -9.070 21.643 17.303 948 HB2 SER 118 HB2 SER 118 -6.641 21.414 19.094 949 HB3 SER 118 HB3 SER 118 -7.397 22.918 18.564 950 HG SER 118 HG SER 118 -9.340 21.550 19.598 951 H LYS 119 H LYS 119 -6.160 19.631 17.123 952 HA LYS 119 HA LYS 119 -5.560 20.873 14.542 953 HB2 LYS 119 HB2 LYS 119 -3.461 20.467 16.672 954 HB3 LYS 119 HB3 LYS 119 -3.205 21.123 15.062 955 HG2 LYS 119 HG2 LYS 119 -4.725 22.996 15.683 956 HG3 LYS 119 HG3 LYS 119 -4.714 22.379 17.334 957 HD2 LYS 119 HD2 LYS 119 -2.322 23.295 15.745 958 HD3 LYS 119 HD3 LYS 119 -3.079 24.150 17.087 959 HE2 LYS 119 HE2 LYS 119 -2.503 22.310 18.586 960 HE3 LYS 119 HE3 LYS 119 -1.752 21.451 17.242 961 HZ1 LYS 119 HZ1 LYS 119 -0.091 22.593 18.541 962 HZ2 LYS 119 HZ2 LYS 119 -0.887 24.076 18.346 963 HZ3 LYS 119 HZ3 LYS 119 -0.190 23.299 17.004 964 H ASN 120 H ASN 120 -4.657 19.553 13.075 965 HA ASN 120 HA ASN 120 -3.615 16.980 14.011 966 HB2 ASN 120 HB2 ASN 120 -4.372 16.116 11.683 967 HB3 ASN 120 HB3 ASN 120 -5.536 16.216 12.990 968 HD21 ASN 120 HD21 ASN 120 -4.482 17.627 9.978 969 HD22 ASN 120 HD22 ASN 120 -5.920 18.539 9.683 970 H THR 121 H THR 121 -1.543 17.273 13.883 971 HA THR 121 HA THR 121 -0.404 18.821 11.679 972 HB THR 121 HB THR 121 0.914 17.950 14.254 973 HG1 THR 121 HG1 THR 121 -0.381 20.417 13.609 974 HG21 THR 121 HG21 THR 121 2.486 18.563 12.480 975 HG22 THR 121 HG22 THR 121 2.500 19.748 13.786 976 HG23 THR 121 HG23 THR 121 1.658 20.107 12.279 977 H GLU 122 H GLU 122 1.328 17.989 10.432 978 HA GLU 122 HA GLU 122 2.093 15.216 10.995 979 HB2 GLU 122 HB2 GLU 122 2.142 14.703 8.595 980 HB3 GLU 122 HB3 GLU 122 0.523 15.092 9.150 981 HG2 GLU 122 HG2 GLU 122 2.264 17.156 7.856 982 HG3 GLU 122 HG3 GLU 122 1.308 16.023 6.903 983 H ILE 123 H ILE 123 4.194 14.814 10.917 984 HA ILE 123 HA ILE 123 5.947 16.582 9.386 985 HB ILE 123 HB ILE 123 7.628 16.285 11.392 986 HG12 ILE 123 HG12 ILE 123 4.940 16.269 12.779 987 HG13 ILE 123 HG13 ILE 123 6.173 15.015 12.863 988 HG21 ILE 123 HG21 ILE 123 6.996 18.397 10.416 989 HG22 ILE 123 HG22 ILE 123 7.021 18.521 12.175 990 HG23 ILE 123 HG23 ILE 123 5.482 18.394 11.321 991 HD11 ILE 123 HD11 ILE 123 7.674 16.583 13.999 992 HD12 ILE 123 HD12 ILE 123 6.163 16.363 14.881 993 HD13 ILE 123 HD13 ILE 123 6.423 17.824 13.927 994 H ARG 124 H ARG 124 7.732 15.580 8.545 995 HA ARG 124 HA ARG 124 7.638 12.665 8.726 996 HB2 ARG 124 HB2 ARG 124 7.533 13.695 6.489 997 HB3 ARG 124 HB3 ARG 124 9.110 14.423 6.757 998 HG2 ARG 124 HG2 ARG 124 10.051 12.140 7.003 999 HG3 ARG 124 HG3 ARG 124 8.472 11.490 6.563 1000 HD2 ARG 124 HD2 ARG 124 8.622 12.743 4.426 1001 HD3 ARG 124 HD3 ARG 124 10.262 13.220 4.867 1002 HE ARG 124 HE ARG 124 9.365 10.592 4.018 1003 HH11 ARG 124 HH11 ARG 124 11.937 12.533 5.397 1004 HH12 ARG 124 HH12 ARG 124 13.171 11.352 5.077 1005 HH21 ARG 124 HH21 ARG 124 10.996 9.038 3.587 1006 HH22 ARG 124 HH22 ARG 124 12.640 9.373 4.034 1007 H ASP 125 H ASP 125 8.608 13.048 10.949 1008 HA ASP 125 HA ASP 125 11.209 12.037 10.883 1009 HB2 ASP 125 HB2 ASP 125 11.697 14.476 10.343 1010 HB3 ASP 125 HB3 ASP 125 11.173 14.845 11.985 1011 H ILE 126 H ILE 126 12.021 11.513 12.994 1012 HA ILE 126 HA ILE 126 9.891 11.396 15.006 1013 HB ILE 126 HB ILE 126 12.498 9.878 14.801 1014 HG12 ILE 126 HG12 ILE 126 10.809 9.227 13.128 1015 HG13 ILE 126 HG13 ILE 126 11.104 7.941 14.293 1016 HG21 ILE 126 HG21 ILE 126 11.666 8.511 16.657 1017 HG22 ILE 126 HG22 ILE 126 10.271 9.579 16.812 1018 HG23 ILE 126 HG23 ILE 126 11.893 10.194 17.131 1019 HD11 ILE 126 HD11 ILE 126 8.745 8.139 13.797 1020 HD12 ILE 126 HD12 ILE 126 8.765 9.831 14.295 1021 HD13 ILE 126 HD13 ILE 126 9.059 8.560 15.481 1022 H ASP 127 H ASP 127 13.078 12.680 14.427 1023 HA ASP 127 HA ASP 127 13.689 12.962 17.235 1024 HB2 ASP 127 HB2 ASP 127 15.430 12.267 15.661 1025 HB3 ASP 127 HB3 ASP 127 15.246 13.778 14.777 1026 H GLU 128 H GLU 128 12.699 15.037 14.564 1027 HA GLU 128 HA GLU 128 13.262 17.451 16.033 1028 HB2 GLU 128 HB2 GLU 128 12.381 18.661 14.186 1029 HB3 GLU 128 HB3 GLU 128 13.316 17.326 13.535 1030 HG2 GLU 128 HG2 GLU 128 11.428 16.191 12.805 1031 HG3 GLU 128 HG3 GLU 128 10.354 17.092 13.881 1032 H ILE 129 H ILE 129 11.091 15.241 16.735 1033 HA ILE 129 HA ILE 129 8.895 17.105 17.298 1034 HB ILE 129 HB ILE 129 9.012 14.160 17.978 1035 HG12 ILE 129 HG12 ILE 129 7.813 15.441 15.512 1036 HG13 ILE 129 HG13 ILE 129 9.278 14.464 15.543 1037 HG21 ILE 129 HG21 ILE 129 6.707 16.085 17.702 1038 HG22 ILE 129 HG22 ILE 129 7.361 15.448 19.211 1039 HG23 ILE 129 HG23 ILE 129 6.567 14.365 18.066 1040 HD11 ILE 129 HD11 ILE 129 7.412 13.154 14.756 1041 HD12 ILE 129 HD12 ILE 129 6.500 13.529 16.216 1042 HD13 ILE 129 HD13 ILE 129 7.960 12.546 16.318 1043 H ASP 130 H ASP 130 8.946 18.142 19.201 1044 HA ASP 130 HA ASP 130 9.671 16.914 21.649 1045 HB2 ASP 130 HB2 ASP 130 11.904 17.332 20.312 1046 HB3 ASP 130 HB3 ASP 130 11.674 18.995 20.842 1047 H ASP 131 H ASP 131 10.377 18.982 23.202 1048 HA ASP 131 HA ASP 131 7.960 20.479 23.402 1049 HB2 ASP 131 HB2 ASP 131 9.427 19.756 25.323 1050 HB3 ASP 131 HB3 ASP 131 10.590 20.977 24.820 1051 H GLU 132 H GLU 132 10.900 20.869 21.790 1052 HA GLU 132 HA GLU 132 11.287 23.599 21.640 1053 HB2 GLU 132 HB2 GLU 132 12.562 23.143 19.623 1054 HB3 GLU 132 HB3 GLU 132 12.883 21.914 20.837 1055 HG2 GLU 132 HG2 GLU 132 11.334 20.385 19.670 1056 HG3 GLU 132 HG3 GLU 132 11.073 21.626 18.446 1057 H LEU 133 H LEU 133 8.996 21.582 19.887 1058 HA LEU 133 HA LEU 133 8.318 23.823 18.164 1059 HB2 LEU 133 HB2 LEU 133 6.747 22.209 17.078 1060 HB3 LEU 133 HB3 LEU 133 8.442 21.803 16.970 1061 HG LEU 133 HG LEU 133 7.890 20.298 19.065 1062 HD11 LEU 133 HD11 LEU 133 5.216 20.519 17.700 1063 HD12 LEU 133 HD12 LEU 133 5.599 21.055 19.336 1064 HD13 LEU 133 HD13 LEU 133 5.651 19.339 18.935 1065 HD21 LEU 133 HD21 LEU 133 8.723 19.516 16.907 1066 HD22 LEU 133 HD22 LEU 133 7.086 19.571 16.254 1067 HD23 LEU 133 HD23 LEU 133 7.483 18.439 17.548 1068 H LEU 134 H LEU 134 7.054 22.117 20.927 1069 HA LEU 134 HA LEU 134 4.348 22.655 20.719 1070 HB2 LEU 134 HB2 LEU 134 6.044 22.565 23.203 1071 HB3 LEU 134 HB3 LEU 134 4.292 22.532 23.190 1072 HG LEU 134 HG LEU 134 6.069 20.429 21.949 1073 HD11 LEU 134 HD11 LEU 134 5.324 19.014 23.801 1074 HD12 LEU 134 HD12 LEU 134 4.455 20.382 24.498 1075 HD13 LEU 134 HD13 LEU 134 6.214 20.421 24.383 1076 HD21 LEU 134 HD21 LEU 134 3.998 19.152 21.719 1077 HD22 LEU 134 HD22 LEU 134 3.920 20.663 20.814 1078 HD23 LEU 134 HD23 LEU 134 3.081 20.517 22.357 1079 H GLU 135 H GLU 135 6.908 24.796 21.856 1080 HA GLU 135 HA GLU 135 5.300 26.742 23.070 1081 HB2 GLU 135 HB2 GLU 135 7.916 27.168 21.621 1082 HB3 GLU 135 HB3 GLU 135 7.184 28.268 22.778 1083 HG2 GLU 135 HG2 GLU 135 7.409 26.510 24.510 1084 HG3 GLU 135 HG3 GLU 135 8.282 25.525 23.333 1085 H SER 136 H SER 136 6.610 26.639 19.757 1086 HA SER 136 HA SER 136 4.918 28.916 19.063 1087 HB2 SER 136 HB2 SER 136 7.058 27.562 17.406 1088 HB3 SER 136 HB3 SER 136 6.276 29.104 17.062 1089 HG SER 136 HG SER 136 8.263 28.471 18.902 1090 H LYS 137 H LYS 137 4.349 25.770 19.254 1091 HA LYS 137 HA LYS 137 3.025 25.486 16.698 1092 HB2 LYS 137 HB2 LYS 137 3.537 23.661 18.981 1093 HB3 LYS 137 HB3 LYS 137 2.151 23.319 17.951 1094 HG2 LYS 137 HG2 LYS 137 4.963 23.694 16.939 1095 HG3 LYS 137 HG3 LYS 137 4.223 22.128 17.283 1096 HD2 LYS 137 HD2 LYS 137 2.571 22.455 15.594 1097 HD3 LYS 137 HD3 LYS 137 3.051 24.136 15.367 1098 HE2 LYS 137 HE2 LYS 137 4.856 21.784 14.826 1099 HE3 LYS 137 HE3 LYS 137 3.845 22.544 13.601 1100 HZ1 LYS 137 HZ1 LYS 137 6.131 23.734 15.064 1101 HZ2 LYS 137 HZ2 LYS 137 5.021 24.674 14.196 1102 HZ3 LYS 137 HZ3 LYS 137 5.956 23.508 13.390 1103 H PHE 138 H PHE 138 2.281 26.393 19.936 1104 HA PHE 138 HA PHE 138 0.486 27.411 20.857 1105 HB2 PHE 138 HB2 PHE 138 -0.458 27.537 17.991 1106 HB3 PHE 138 HB3 PHE 138 -1.324 28.275 19.333 1107 HD1 PHE 138 HD1 PHE 138 1.571 28.494 17.141 1108 HD2 PHE 138 HD2 PHE 138 -0.394 30.201 20.507 1109 HE1 PHE 138 HE1 PHE 138 2.955 30.515 16.919 1110 HE2 PHE 138 HE2 PHE 138 0.989 32.225 20.290 1111 HZ PHE 138 HZ PHE 138 2.666 32.384 18.495 Start of MODEL 4 1 H MET 1 H MET 1 2.590 -1.411 1.481 2 HA MET 1 HA MET 1 3.296 -0.684 -0.623 3 HB2 MET 1 HB2 MET 1 5.747 -0.849 0.063 4 HB3 MET 1 HB3 MET 1 5.659 -2.549 -0.374 5 HG2 MET 1 HG2 MET 1 5.239 -2.027 -2.650 6 HG3 MET 1 HG3 MET 1 5.010 -0.320 -2.282 7 HE1 MET 1 HE1 MET 1 9.096 -2.440 -1.872 8 HE2 MET 1 HE2 MET 1 7.641 -3.272 -2.416 9 HE3 MET 1 HE3 MET 1 7.747 -2.675 -0.760 10 H THR 2 H THR 2 1.434 -2.545 0.288 11 HA THR 2 HA THR 2 1.460 -4.505 -1.865 12 HB THR 2 HB THR 2 1.239 -5.478 0.987 13 HG1 THR 2 HG1 THR 2 3.409 -5.757 -0.859 14 HG21 THR 2 HG21 THR 2 1.388 -7.702 -0.034 15 HG22 THR 2 HG22 THR 2 1.446 -6.963 -1.634 16 HG23 THR 2 HG23 THR 2 -0.006 -6.809 -0.647 17 H SER 3 H SER 3 -0.217 -3.531 1.124 18 HA SER 3 HA SER 3 -2.576 -4.969 0.495 19 HB2 SER 3 HB2 SER 3 -3.476 -3.695 2.491 20 HB3 SER 3 HB3 SER 3 -2.008 -4.633 2.782 21 HG SER 3 HG SER 3 -1.820 -1.934 1.996 22 H SER 4 H SER 4 -4.524 -4.336 -0.329 23 HA SER 4 HA SER 4 -4.882 -1.811 -1.590 24 HB2 SER 4 HB2 SER 4 -7.365 -2.608 -1.521 25 HB3 SER 4 HB3 SER 4 -6.213 -3.521 -2.495 26 HG SER 4 HG SER 4 -7.339 -4.174 0.014 27 H LEU 5 H LEU 5 -6.387 -0.099 -0.848 28 HA LEU 5 HA LEU 5 -6.468 -0.028 2.078 29 HB2 LEU 5 HB2 LEU 5 -4.256 0.757 1.236 30 HB3 LEU 5 HB3 LEU 5 -5.095 2.087 0.456 31 HG LEU 5 HG LEU 5 -6.010 2.249 3.035 32 HD11 LEU 5 HD11 LEU 5 -4.048 2.118 4.463 33 HD12 LEU 5 HD12 LEU 5 -3.095 1.501 3.113 34 HD13 LEU 5 HD13 LEU 5 -4.429 0.546 3.760 35 HD21 LEU 5 HD21 LEU 5 -5.335 4.077 1.582 36 HD22 LEU 5 HD22 LEU 5 -3.643 3.626 1.790 37 HD23 LEU 5 HD23 LEU 5 -4.577 4.207 3.169 38 H THR 6 H THR 6 -8.001 1.134 2.949 39 HA THR 6 HA THR 6 -9.165 3.402 1.541 40 HB THR 6 HB THR 6 -11.454 2.647 2.448 41 HG1 THR 6 HG1 THR 6 -10.025 0.169 2.472 42 HG21 THR 6 HG21 THR 6 -10.940 2.753 0.082 43 HG22 THR 6 HG22 THR 6 -11.899 1.311 0.426 44 HG23 THR 6 HG23 THR 6 -10.160 1.175 0.160 45 H ILE 7 H ILE 7 -11.080 4.065 3.464 46 HA ILE 7 HA ILE 7 -9.350 4.785 5.676 47 HB ILE 7 HB ILE 7 -11.276 6.159 6.460 48 HG12 ILE 7 HG12 ILE 7 -12.995 6.543 4.479 49 HG13 ILE 7 HG13 ILE 7 -12.583 4.879 4.090 50 HG21 ILE 7 HG21 ILE 7 -9.562 7.162 5.119 51 HG22 ILE 7 HG22 ILE 7 -11.125 7.809 4.618 52 HG23 ILE 7 HG23 ILE 7 -10.320 6.583 3.637 53 HD11 ILE 7 HD11 ILE 7 -13.711 5.861 6.701 54 HD12 ILE 7 HD12 ILE 7 -13.280 4.190 6.330 55 HD13 ILE 7 HD13 ILE 7 -14.584 4.981 5.444 56 H CYS 8 H CYS 8 -10.625 4.757 7.926 57 HA CYS 8 HA CYS 8 -11.162 1.886 8.252 58 HB2 CYS 8 HB2 CYS 8 -10.325 2.270 10.592 59 HB3 CYS 8 HB3 CYS 8 -9.126 2.520 9.327 60 HG CYS 8 HG CYS 8 -9.025 5.217 9.481 61 H SER 9 H SER 9 -12.603 1.189 9.894 62 HA SER 9 HA SER 9 -14.757 3.074 10.500 63 HB2 SER 9 HB2 SER 9 -14.642 0.082 10.966 64 HB3 SER 9 HB3 SER 9 -16.072 1.110 11.060 65 HG SER 9 HG SER 9 -15.146 -0.162 8.949 66 H ILE 10 H ILE 10 -15.649 2.972 12.753 67 HA ILE 10 HA ILE 10 -13.374 2.885 14.630 68 HB ILE 10 HB ILE 10 -15.862 4.596 14.785 69 HG12 ILE 10 HG12 ILE 10 -14.340 5.314 12.998 70 HG13 ILE 10 HG13 ILE 10 -14.375 6.481 14.312 71 HG21 ILE 10 HG21 ILE 10 -15.007 4.000 16.991 72 HG22 ILE 10 HG22 ILE 10 -14.754 5.713 16.654 73 HG23 ILE 10 HG23 ILE 10 -13.406 4.581 16.534 74 HD11 ILE 10 HD11 ILE 10 -12.125 6.169 13.482 75 HD12 ILE 10 HD12 ILE 10 -12.221 4.440 13.817 76 HD13 ILE 10 HD13 ILE 10 -12.254 5.599 15.147 77 HA PRO 11 HA PRO 11 -15.904 -0.259 16.715 78 HB2 PRO 11 HB2 PRO 11 -13.910 -1.008 18.409 79 HB3 PRO 11 HB3 PRO 11 -14.056 -1.632 16.763 80 HG2 PRO 11 HG2 PRO 11 -12.280 0.521 17.829 81 HG3 PRO 11 HG3 PRO 11 -11.915 -0.753 16.654 82 HD2 PRO 11 HD2 PRO 11 -12.454 1.816 15.943 83 HD3 PRO 11 HD3 PRO 11 -12.831 0.425 14.906 84 H ASP 12 H ASP 12 -17.208 0.203 18.392 85 HA ASP 12 HA ASP 12 -17.043 2.657 19.758 86 HB2 ASP 12 HB2 ASP 12 -19.154 1.412 19.357 87 HB3 ASP 12 HB3 ASP 12 -18.650 0.212 20.541 88 H GLY 13 H GLY 13 -15.789 -0.490 20.509 89 HA2 GLY 13 HA2 GLY 13 -15.375 -0.305 23.258 90 HA3 GLY 13 HA3 GLY 13 -14.356 -1.207 22.146 91 H VAL 14 H VAL 14 -12.938 0.426 20.743 92 HA VAL 14 HA VAL 14 -11.232 1.692 22.669 93 HB VAL 14 HB VAL 14 -9.724 2.165 20.864 94 HG11 VAL 14 HG11 VAL 14 -9.752 -0.128 21.651 95 HG12 VAL 14 HG12 VAL 14 -9.393 -0.075 19.926 96 HG13 VAL 14 HG13 VAL 14 -11.003 -0.538 20.478 97 HG21 VAL 14 HG21 VAL 14 -10.295 1.733 18.515 98 HG22 VAL 14 HG22 VAL 14 -11.312 2.991 19.217 99 HG23 VAL 14 HG23 VAL 14 -11.952 1.363 18.992 100 H LYS 15 H LYS 15 -13.784 2.696 20.620 101 HA LYS 15 HA LYS 15 -13.191 5.441 20.391 102 HB2 LYS 15 HB2 LYS 15 -14.795 4.534 18.925 103 HB3 LYS 15 HB3 LYS 15 -15.698 3.791 20.230 104 HG2 LYS 15 HG2 LYS 15 -15.566 6.740 20.254 105 HG3 LYS 15 HG3 LYS 15 -16.483 5.992 18.943 106 HD2 LYS 15 HD2 LYS 15 -17.474 4.543 20.896 107 HD3 LYS 15 HD3 LYS 15 -16.964 5.914 21.882 108 HE2 LYS 15 HE2 LYS 15 -18.318 7.415 20.632 109 HE3 LYS 15 HE3 LYS 15 -18.671 6.184 19.420 110 HZ1 LYS 15 HZ1 LYS 15 -20.545 6.373 20.844 111 HZ2 LYS 15 HZ2 LYS 15 -19.593 6.244 22.240 112 HZ3 LYS 15 HZ3 LYS 15 -19.783 4.902 21.219 113 H GLU 16 H GLU 16 -14.630 3.508 22.929 114 HA GLU 16 HA GLU 16 -15.491 5.623 24.597 115 HB2 GLU 16 HB2 GLU 16 -16.170 3.333 25.047 116 HB3 GLU 16 HB3 GLU 16 -14.496 2.851 25.294 117 HG2 GLU 16 HG2 GLU 16 -14.403 4.424 27.223 118 HG3 GLU 16 HG3 GLU 16 -16.132 4.695 27.018 119 H ASP 17 H ASP 17 -12.449 3.777 24.506 120 HA ASP 17 HA ASP 17 -11.066 5.202 26.476 121 HB2 ASP 17 HB2 ASP 17 -9.883 3.954 23.982 122 HB3 ASP 17 HB3 ASP 17 -9.015 4.347 25.461 123 H LEU 18 H LEU 18 -11.419 5.733 23.031 124 HA LEU 18 HA LEU 18 -9.642 7.881 22.726 125 HB2 LEU 18 HB2 LEU 18 -10.644 6.542 20.895 126 HB3 LEU 18 HB3 LEU 18 -12.191 7.300 21.213 127 HG LEU 18 HG LEU 18 -11.261 9.477 20.560 128 HD11 LEU 18 HD11 LEU 18 -8.945 9.120 21.199 129 HD12 LEU 18 HD12 LEU 18 -9.051 9.581 19.500 130 HD13 LEU 18 HD13 LEU 18 -8.769 7.897 19.941 131 HD21 LEU 18 HD21 LEU 18 -12.362 8.110 18.884 132 HD22 LEU 18 HD22 LEU 18 -10.849 7.271 18.544 133 HD23 LEU 18 HD23 LEU 18 -11.011 8.985 18.164 134 H LYS 19 H LYS 19 -12.965 7.715 23.807 135 HA LYS 19 HA LYS 19 -13.375 10.556 23.860 136 HB2 LYS 19 HB2 LYS 19 -14.952 8.209 24.244 137 HB3 LYS 19 HB3 LYS 19 -15.110 9.205 25.681 138 HG2 LYS 19 HG2 LYS 19 -16.827 10.021 24.440 139 HG3 LYS 19 HG3 LYS 19 -15.543 11.107 23.920 140 HD2 LYS 19 HD2 LYS 19 -16.114 8.577 22.418 141 HD3 LYS 19 HD3 LYS 19 -17.082 10.023 22.143 142 HE2 LYS 19 HE2 LYS 19 -14.963 11.253 21.651 143 HE3 LYS 19 HE3 LYS 19 -14.109 9.713 21.752 144 HZ1 LYS 19 HZ1 LYS 19 -15.297 8.890 19.891 145 HZ2 LYS 19 HZ2 LYS 19 -14.756 10.431 19.468 146 HZ3 LYS 19 HZ3 LYS 19 -16.374 10.194 19.899 147 H LYS 20 H LYS 20 -12.728 8.048 26.295 148 HA LYS 20 HA LYS 20 -12.893 9.679 28.562 149 HB2 LYS 20 HB2 LYS 20 -11.312 7.140 28.154 150 HB3 LYS 20 HB3 LYS 20 -11.634 7.880 29.716 151 HG2 LYS 20 HG2 LYS 20 -13.673 6.755 27.806 152 HG3 LYS 20 HG3 LYS 20 -13.157 6.052 29.341 153 HD2 LYS 20 HD2 LYS 20 -14.062 7.972 30.537 154 HD3 LYS 20 HD3 LYS 20 -14.542 8.714 29.012 155 HE2 LYS 20 HE2 LYS 20 -16.465 7.684 30.016 156 HE3 LYS 20 HE3 LYS 20 -16.010 6.769 28.581 157 HZ1 LYS 20 HZ1 LYS 20 -15.460 6.032 31.408 158 HZ2 LYS 20 HZ2 LYS 20 -14.849 5.190 30.075 159 HZ3 LYS 20 HZ3 LYS 20 -16.525 5.253 30.338 160 H PHE 21 H PHE 21 -10.183 9.003 26.437 161 HA PHE 21 HA PHE 21 -8.013 9.879 27.762 162 HB2 PHE 21 HB2 PHE 21 -7.948 9.048 25.486 163 HB3 PHE 21 HB3 PHE 21 -8.822 10.461 24.908 164 HD1 PHE 21 HD1 PHE 21 -6.057 10.427 27.342 165 HD2 PHE 21 HD2 PHE 21 -7.265 11.335 23.384 166 HE1 PHE 21 HE1 PHE 21 -3.955 11.577 26.953 167 HE2 PHE 21 HE2 PHE 21 -5.150 12.500 22.985 168 HZ PHE 21 HZ PHE 21 -3.478 12.620 24.781 169 H ARG 22 H ARG 22 -10.401 11.992 26.163 170 HA ARG 22 HA ARG 22 -9.015 14.301 27.284 171 HB2 ARG 22 HB2 ARG 22 -10.636 15.644 25.928 172 HB3 ARG 22 HB3 ARG 22 -9.556 14.618 24.998 173 HG2 ARG 22 HG2 ARG 22 -12.167 13.440 25.694 174 HG3 ARG 22 HG3 ARG 22 -12.195 14.795 24.563 175 HD2 ARG 22 HD2 ARG 22 -10.524 12.302 24.276 176 HD3 ARG 22 HD3 ARG 22 -12.022 12.639 23.404 177 HE ARG 22 HE ARG 22 -10.419 14.789 22.882 178 HH11 ARG 22 HH11 ARG 22 -10.094 11.324 22.463 179 HH12 ARG 22 HH12 ARG 22 -9.057 11.472 21.078 180 HH21 ARG 22 HH21 ARG 22 -9.075 14.984 21.081 181 HH22 ARG 22 HH22 ARG 22 -8.474 13.563 20.292 182 H PHE 23 H PHE 23 -12.091 12.599 27.549 183 HA PHE 23 HA PHE 23 -13.286 14.802 28.984 184 HB2 PHE 23 HB2 PHE 23 -14.356 12.095 28.200 185 HB3 PHE 23 HB3 PHE 23 -15.291 13.291 29.092 186 HD1 PHE 23 HD1 PHE 23 -15.077 15.751 27.922 187 HD2 PHE 23 HD2 PHE 23 -14.815 11.984 25.961 188 HE1 PHE 23 HE1 PHE 23 -15.755 16.810 25.808 189 HE2 PHE 23 HE2 PHE 23 -15.490 13.036 23.842 190 HZ PHE 23 HZ PHE 23 -15.961 15.455 23.765 191 H SER 24 H SER 24 -11.506 12.014 29.900 192 HA SER 24 HA SER 24 -12.144 12.644 32.675 193 HB2 SER 24 HB2 SER 24 -12.342 9.825 31.590 194 HB3 SER 24 HB3 SER 24 -12.529 10.300 33.279 195 HG SER 24 HG SER 24 -14.182 11.827 31.990 196 H LYS 25 H LYS 25 -9.959 13.545 32.257 197 HA LYS 25 HA LYS 25 -8.046 11.686 33.398 198 HB2 LYS 25 HB2 LYS 25 -7.516 13.195 30.833 199 HB3 LYS 25 HB3 LYS 25 -6.222 12.617 31.870 200 HG2 LYS 25 HG2 LYS 25 -8.266 10.954 30.415 201 HG3 LYS 25 HG3 LYS 25 -6.541 11.069 30.070 202 HD2 LYS 25 HD2 LYS 25 -7.809 9.897 32.548 203 HD3 LYS 25 HD3 LYS 25 -7.024 9.003 31.248 204 HE2 LYS 25 HE2 LYS 25 -4.895 9.987 31.797 205 HE3 LYS 25 HE3 LYS 25 -5.649 11.034 32.999 206 HZ1 LYS 25 HZ1 LYS 25 -6.354 8.952 34.165 207 HZ2 LYS 25 HZ2 LYS 25 -4.685 9.238 34.154 208 HZ3 LYS 25 HZ3 LYS 25 -5.350 8.083 33.103 209 H SER 26 H SER 26 -6.148 12.885 34.302 210 HA SER 26 HA SER 26 -7.138 15.219 35.644 211 HB2 SER 26 HB2 SER 26 -5.760 13.394 36.728 212 HB3 SER 26 HB3 SER 26 -4.365 14.037 35.862 213 HG SER 26 HG SER 26 -4.194 15.358 37.482 214 H THR 27 H THR 27 -5.517 17.089 35.965 215 HA THR 27 HA THR 27 -5.234 18.283 33.364 216 HB THR 27 HB THR 27 -4.500 19.527 36.014 217 HG1 THR 27 HG1 THR 27 -6.591 19.869 36.407 218 HG21 THR 27 HG21 THR 27 -5.488 20.692 33.406 219 HG22 THR 27 HG22 THR 27 -3.849 20.812 34.046 220 HG23 THR 27 HG23 THR 27 -5.183 21.605 34.883 221 H THR 28 H THR 28 -3.504 16.896 32.602 222 HA THR 28 HA THR 28 -0.881 18.023 33.165 223 HB THR 28 HB THR 28 -1.082 15.018 33.122 224 HG1 THR 28 HG1 THR 28 -0.733 15.916 35.634 225 HG21 THR 28 HG21 THR 28 1.119 16.049 32.842 226 HG22 THR 28 HG22 THR 28 1.023 15.191 34.380 227 HG23 THR 28 HG23 THR 28 0.896 16.950 34.342 228 H MET 29 H MET 29 0.614 16.217 31.603 229 HA MET 29 HA MET 29 -0.493 16.775 28.951 230 HB2 MET 29 HB2 MET 29 2.256 15.773 29.753 231 HB3 MET 29 HB3 MET 29 1.765 16.211 28.126 232 HG2 MET 29 HG2 MET 29 1.494 18.512 28.787 233 HG3 MET 29 HG3 MET 29 1.868 18.101 30.459 234 HE1 MET 29 HE1 MET 29 3.265 18.351 26.792 235 HE2 MET 29 HE2 MET 29 3.592 16.670 27.214 236 HE3 MET 29 HE3 MET 29 4.927 17.805 27.011 237 H ASN 30 H ASN 30 -1.599 15.203 27.989 238 HA ASN 30 HA ASN 30 -0.849 12.413 28.551 239 HB2 ASN 30 HB2 ASN 30 -3.378 11.970 28.159 240 HB3 ASN 30 HB3 ASN 30 -2.856 12.583 29.722 241 HD21 ASN 30 HD21 ASN 30 -3.400 14.675 30.320 242 HD22 ASN 30 HD22 ASN 30 -4.577 15.603 29.468 243 H ALA 31 H ALA 31 -1.484 10.903 26.839 244 HA ALA 31 HA ALA 31 -1.758 11.988 24.194 245 HB1 ALA 31 HB1 ALA 31 0.405 11.186 23.385 246 HB2 ALA 31 HB2 ALA 31 0.853 10.733 25.029 247 HB3 ALA 31 HB3 ALA 31 0.599 12.430 24.620 248 H LEU 32 H LEU 32 -2.616 10.514 22.868 249 HA LEU 32 HA LEU 32 -2.487 7.684 23.680 250 HB2 LEU 32 HB2 LEU 32 -4.742 9.131 23.851 251 HB3 LEU 32 HB3 LEU 32 -4.844 8.682 22.161 252 HG LEU 32 HG LEU 32 -4.730 6.792 24.510 253 HD11 LEU 32 HD11 LEU 32 -6.999 6.205 23.825 254 HD12 LEU 32 HD12 LEU 32 -6.934 7.428 22.555 255 HD13 LEU 32 HD13 LEU 32 -6.872 7.913 24.249 256 HD21 LEU 32 HD21 LEU 32 -3.546 5.815 22.643 257 HD22 LEU 32 HD22 LEU 32 -4.881 6.204 21.558 258 HD23 LEU 32 HD23 LEU 32 -5.109 5.019 22.844 259 H ILE 33 H ILE 33 -1.313 6.624 22.201 260 HA ILE 33 HA ILE 33 -1.031 7.614 19.511 261 HB ILE 33 HB ILE 33 -0.077 5.016 20.733 262 HG12 ILE 33 HG12 ILE 33 1.316 7.645 20.175 263 HG13 ILE 33 HG13 ILE 33 1.003 6.934 21.755 264 HG21 ILE 33 HG21 ILE 33 0.624 6.274 18.076 265 HG22 ILE 33 HG22 ILE 33 -0.353 4.824 18.309 266 HG23 ILE 33 HG23 ILE 33 1.352 4.817 18.755 267 HD11 ILE 33 HD11 ILE 33 2.532 5.100 21.218 268 HD12 ILE 33 HD12 ILE 33 3.325 6.673 21.127 269 HD13 ILE 33 HD13 ILE 33 2.851 5.837 19.648 270 H LEU 34 H LEU 34 -2.251 7.115 17.826 271 HA LEU 34 HA LEU 34 -4.365 5.114 18.260 272 HB2 LEU 34 HB2 LEU 34 -4.428 7.584 16.527 273 HB3 LEU 34 HB3 LEU 34 -5.761 6.476 16.800 274 HG LEU 34 HG LEU 34 -4.466 8.044 19.024 275 HD11 LEU 34 HD11 LEU 34 -6.363 9.579 18.865 276 HD12 LEU 34 HD12 LEU 34 -6.905 8.752 17.405 277 HD13 LEU 34 HD13 LEU 34 -5.368 9.616 17.410 278 HD21 LEU 34 HD21 LEU 34 -7.120 6.627 18.809 279 HD22 LEU 34 HD22 LEU 34 -6.528 7.515 20.212 280 HD23 LEU 34 HD23 LEU 34 -5.705 6.046 19.688 281 H LYS 35 H LYS 35 -4.718 3.578 16.750 282 HA LYS 35 HA LYS 35 -2.772 3.484 14.543 283 HB2 LYS 35 HB2 LYS 35 -1.813 2.104 16.129 284 HB3 LYS 35 HB3 LYS 35 -3.360 1.555 16.735 285 HG2 LYS 35 HG2 LYS 35 -2.496 -0.308 15.679 286 HG3 LYS 35 HG3 LYS 35 -3.593 0.366 14.473 287 HD2 LYS 35 HD2 LYS 35 -1.736 1.395 13.315 288 HD3 LYS 35 HD3 LYS 35 -0.618 0.836 14.562 289 HE2 LYS 35 HE2 LYS 35 -2.248 -0.888 12.707 290 HE3 LYS 35 HE3 LYS 35 -0.509 -0.613 12.619 291 HZ1 LYS 35 HZ1 LYS 35 -0.318 -1.651 14.834 292 HZ2 LYS 35 HZ2 LYS 35 -0.942 -2.710 13.665 293 HZ3 LYS 35 HZ3 LYS 35 -1.978 -2.001 14.803 294 H ILE 36 H ILE 36 -3.702 3.074 12.623 295 HA ILE 36 HA ILE 36 -6.283 1.682 12.580 296 HB ILE 36 HB ILE 36 -4.839 3.069 10.306 297 HG12 ILE 36 HG12 ILE 36 -6.977 4.524 10.409 298 HG13 ILE 36 HG13 ILE 36 -7.159 3.891 12.039 299 HG21 ILE 36 HG21 ILE 36 -6.112 1.190 9.494 300 HG22 ILE 36 HG22 ILE 36 -6.925 2.691 9.048 301 HG23 ILE 36 HG23 ILE 36 -7.532 1.722 10.391 302 HD11 ILE 36 HD11 ILE 36 -6.082 6.062 12.034 303 HD12 ILE 36 HD12 ILE 36 -4.798 5.433 11.000 304 HD13 ILE 36 HD13 ILE 36 -4.993 4.815 12.642 305 H ASP 37 H ASP 37 -6.128 -0.454 12.450 306 HA ASP 37 HA ASP 37 -3.862 -1.710 11.151 307 HB2 ASP 37 HB2 ASP 37 -6.343 -2.809 12.482 308 HB3 ASP 37 HB3 ASP 37 -5.203 -3.836 11.619 309 H ARG 38 H ARG 38 -3.797 -1.734 9.013 310 HA ARG 38 HA ARG 38 -5.980 -1.157 7.345 311 HB2 ARG 38 HB2 ARG 38 -4.464 -1.929 5.495 312 HB3 ARG 38 HB3 ARG 38 -3.764 -0.715 6.559 313 HG2 ARG 38 HG2 ARG 38 -2.603 -2.518 7.781 314 HG3 ARG 38 HG3 ARG 38 -3.233 -3.673 6.609 315 HD2 ARG 38 HD2 ARG 38 -2.010 -2.640 4.832 316 HD3 ARG 38 HD3 ARG 38 -1.534 -1.298 5.876 317 HE ARG 38 HE ARG 38 -0.545 -3.406 7.200 318 HH11 ARG 38 HH11 ARG 38 -0.305 -2.566 3.801 319 HH12 ARG 38 HH12 ARG 38 1.301 -3.209 3.645 320 HH21 ARG 38 HH21 ARG 38 1.533 -4.243 6.991 321 HH22 ARG 38 HH22 ARG 38 2.358 -4.160 5.463 322 H GLU 39 H GLU 39 -4.715 -4.185 8.548 323 HA GLU 39 HA GLU 39 -6.207 -5.823 6.723 324 HB2 GLU 39 HB2 GLU 39 -4.082 -6.530 7.832 325 HB3 GLU 39 HB3 GLU 39 -4.945 -6.595 9.361 326 HG2 GLU 39 HG2 GLU 39 -6.408 -8.330 8.471 327 HG3 GLU 39 HG3 GLU 39 -5.561 -8.254 6.926 328 H SER 40 H SER 40 -6.697 -4.563 9.976 329 HA SER 40 HA SER 40 -9.129 -6.092 10.340 330 HB2 SER 40 HB2 SER 40 -7.979 -3.886 12.065 331 HB3 SER 40 HB3 SER 40 -9.243 -5.027 12.524 332 HG SER 40 HG SER 40 -7.169 -6.446 11.674 333 H HIS 41 H HIS 41 -8.184 -3.010 9.154 334 HA HIS 41 HA HIS 41 -9.313 -1.367 8.069 335 HB2 HIS 41 HB2 HIS 41 -10.633 -3.428 7.226 336 HB3 HIS 41 HB3 HIS 41 -11.875 -2.922 8.364 337 HD1 HIS 41 HD1 HIS 41 -13.564 -1.352 7.448 338 HD2 HIS 41 HD2 HIS 41 -10.005 -1.265 5.291 339 HE1 HIS 41 HE1 HIS 41 -13.988 0.175 5.489 340 HE2 HIS 41 HE2 HIS 41 -11.805 0.251 4.225 341 H GLU 42 H GLU 42 -9.174 -1.612 11.050 342 HA GLU 42 HA GLU 42 -11.240 0.361 11.689 343 HB2 GLU 42 HB2 GLU 42 -11.660 -0.716 13.854 344 HB3 GLU 42 HB3 GLU 42 -12.087 -1.760 12.508 345 HG2 GLU 42 HG2 GLU 42 -9.967 -2.971 12.803 346 HG3 GLU 42 HG3 GLU 42 -9.600 -1.951 14.195 347 H LEU 43 H LEU 43 -10.735 1.798 13.359 348 HA LEU 43 HA LEU 43 -7.858 2.119 13.815 349 HB2 LEU 43 HB2 LEU 43 -9.280 3.964 12.841 350 HB3 LEU 43 HB3 LEU 43 -10.115 4.050 14.375 351 HG LEU 43 HG LEU 43 -7.142 4.505 14.159 352 HD11 LEU 43 HD11 LEU 43 -7.652 6.909 14.105 353 HD12 LEU 43 HD12 LEU 43 -9.364 6.530 13.924 354 HD13 LEU 43 HD13 LEU 43 -8.222 6.074 12.660 355 HD21 LEU 43 HD21 LEU 43 -9.215 5.318 16.197 356 HD22 LEU 43 HD22 LEU 43 -7.519 5.801 16.225 357 HD23 LEU 43 HD23 LEU 43 -7.956 4.101 16.407 358 H GLN 44 H GLN 44 -6.997 1.657 15.741 359 HA GLN 44 HA GLN 44 -8.795 1.438 18.064 360 HB2 GLN 44 HB2 GLN 44 -6.478 -0.382 17.385 361 HB3 GLN 44 HB3 GLN 44 -7.458 -0.474 18.841 362 HG2 GLN 44 HG2 GLN 44 -9.434 -0.910 17.401 363 HG3 GLN 44 HG3 GLN 44 -8.346 -0.987 16.016 364 HE21 GLN 44 HE21 GLN 44 -6.880 -2.702 15.855 365 HE22 GLN 44 HE22 GLN 44 -7.093 -4.167 16.756 366 H SER 45 H SER 45 -7.714 1.695 20.135 367 HA SER 45 HA SER 45 -5.625 3.699 20.015 368 HB2 SER 45 HB2 SER 45 -6.040 3.474 22.630 369 HB3 SER 45 HB3 SER 45 -7.176 4.342 21.598 370 HG SER 45 HG SER 45 -8.498 2.993 22.612 371 H GLU 46 H GLU 46 -3.550 3.098 19.942 372 HA GLU 46 HA GLU 46 -2.701 0.457 20.563 373 HB2 GLU 46 HB2 GLU 46 -1.341 2.972 19.720 374 HB3 GLU 46 HB3 GLU 46 -0.359 1.703 20.425 375 HG2 GLU 46 HG2 GLU 46 -1.296 0.141 18.723 376 HG3 GLU 46 HG3 GLU 46 -2.051 1.539 17.957 377 H GLN 47 H GLN 47 -1.836 3.576 22.062 378 HA GLN 47 HA GLN 47 -1.815 2.382 24.683 379 HB2 GLN 47 HB2 GLN 47 0.597 3.050 25.075 380 HB3 GLN 47 HB3 GLN 47 0.343 1.633 24.066 381 HG2 GLN 47 HG2 GLN 47 0.652 3.050 22.067 382 HG3 GLN 47 HG3 GLN 47 1.014 4.411 23.127 383 HE21 GLN 47 HE21 GLN 47 2.957 4.482 24.198 384 HE22 GLN 47 HE22 GLN 47 4.285 3.438 23.811 385 H LEU 48 H LEU 48 -1.872 3.860 26.323 386 HA LEU 48 HA LEU 48 -1.893 6.700 25.533 387 HB2 LEU 48 HB2 LEU 48 -4.141 5.496 26.062 388 HB3 LEU 48 HB3 LEU 48 -3.599 5.541 27.725 389 HG LEU 48 HG LEU 48 -3.950 8.018 26.026 390 HD11 LEU 48 HD11 LEU 48 -6.085 6.862 26.273 391 HD12 LEU 48 HD12 LEU 48 -6.052 8.347 27.221 392 HD13 LEU 48 HD13 LEU 48 -5.851 6.788 28.020 393 HD21 LEU 48 HD21 LEU 48 -2.454 8.298 27.943 394 HD22 LEU 48 HD22 LEU 48 -3.703 7.656 29.012 395 HD23 LEU 48 HD23 LEU 48 -3.963 9.183 28.168 396 H LEU 49 H LEU 49 -0.643 7.997 26.767 397 HA LEU 49 HA LEU 49 0.041 7.122 29.463 398 HB2 LEU 49 HB2 LEU 49 2.372 7.602 29.258 399 HB3 LEU 49 HB3 LEU 49 1.932 6.453 28.024 400 HG LEU 49 HG LEU 49 2.313 9.396 27.504 401 HD11 LEU 49 HD11 LEU 49 4.222 7.106 27.045 402 HD12 LEU 49 HD12 LEU 49 4.393 8.358 28.274 403 HD13 LEU 49 HD13 LEU 49 4.476 8.784 26.564 404 HD21 LEU 49 HD21 LEU 49 0.887 8.233 25.878 405 HD22 LEU 49 HD22 LEU 49 2.165 7.044 25.620 406 HD23 LEU 49 HD23 LEU 49 2.425 8.730 25.171 407 H ASN 50 H ASN 50 0.300 8.754 30.914 408 HA ASN 50 HA ASN 50 -0.008 11.497 29.925 409 HB2 ASN 50 HB2 ASN 50 -1.753 11.990 31.519 410 HB3 ASN 50 HB3 ASN 50 -2.255 10.589 30.580 411 HD21 ASN 50 HD21 ASN 50 -2.291 8.554 31.565 412 HD22 ASN 50 HD22 ASN 50 -2.260 8.371 33.289 413 H ASP 51 H ASP 51 0.513 13.101 31.593 414 HA ASP 51 HA ASP 51 1.791 13.990 33.250 415 HB2 ASP 51 HB2 ASP 51 0.730 12.220 34.690 416 HB3 ASP 51 HB3 ASP 51 2.096 11.175 34.327 417 H CYS 52 H CYS 52 2.726 12.344 30.776 418 HA CYS 52 HA CYS 52 5.583 12.226 31.416 419 HB2 CYS 52 HB2 CYS 52 4.081 11.212 28.989 420 HB3 CYS 52 HB3 CYS 52 5.795 10.971 29.311 421 HG CYS 52 HG CYS 52 5.215 9.514 31.728 422 H SER 53 H SER 53 6.924 12.815 29.285 423 HA SER 53 HA SER 53 6.115 15.573 28.647 424 HB2 SER 53 HB2 SER 53 8.499 15.928 28.115 425 HB3 SER 53 HB3 SER 53 8.291 15.322 29.759 426 HG SER 53 HG SER 53 9.804 13.996 29.026 427 H ILE 54 H ILE 54 6.911 16.352 26.428 428 HA ILE 54 HA ILE 54 5.703 14.784 24.410 429 HB ILE 54 HB ILE 54 5.918 17.239 24.252 430 HG12 ILE 54 HG12 ILE 54 7.261 15.776 21.970 431 HG13 ILE 54 HG13 ILE 54 5.521 15.892 22.222 432 HG21 ILE 54 HG21 ILE 54 8.840 16.670 23.787 433 HG22 ILE 54 HG22 ILE 54 8.135 17.532 25.155 434 HG23 ILE 54 HG23 ILE 54 8.057 18.231 23.537 435 HD11 ILE 54 HD11 ILE 54 5.683 18.329 21.958 436 HD12 ILE 54 HD12 ILE 54 6.220 17.446 20.530 437 HD13 ILE 54 HD13 ILE 54 7.406 18.158 21.624 438 H GLU 55 H GLU 55 8.949 14.967 25.631 439 HA GLU 55 HA GLU 55 10.365 13.749 23.553 440 HB2 GLU 55 HB2 GLU 55 10.817 13.497 26.536 441 HB3 GLU 55 HB3 GLU 55 11.990 13.104 25.288 442 HG2 GLU 55 HG2 GLU 55 12.022 15.449 24.588 443 HG3 GLU 55 HG3 GLU 55 10.861 15.839 25.858 444 H GLU 56 H GLU 56 8.620 12.371 26.304 445 HA GLU 56 HA GLU 56 9.360 9.695 25.798 446 HB2 GLU 56 HB2 GLU 56 7.203 10.967 27.450 447 HB3 GLU 56 HB3 GLU 56 7.319 9.218 27.293 448 HG2 GLU 56 HG2 GLU 56 9.400 9.144 28.345 449 HG3 GLU 56 HG3 GLU 56 9.660 10.872 28.144 450 H PHE 57 H PHE 57 6.749 11.686 24.518 451 HA PHE 57 HA PHE 57 5.205 9.484 23.583 452 HB2 PHE 57 HB2 PHE 57 5.193 12.314 22.534 453 HB3 PHE 57 HB3 PHE 57 3.912 11.117 22.375 454 HD1 PHE 57 HD1 PHE 57 3.830 10.038 25.137 455 HD2 PHE 57 HD2 PHE 57 4.191 14.034 23.733 456 HE1 PHE 57 HE1 PHE 57 2.812 10.860 27.221 457 HE2 PHE 57 HE2 PHE 57 3.173 14.861 25.813 458 HZ PHE 57 HZ PHE 57 2.481 13.275 27.561 459 H LYS 58 H LYS 58 7.770 11.457 22.160 460 HA LYS 58 HA LYS 58 7.358 10.228 19.560 461 HB2 LYS 58 HB2 LYS 58 9.143 11.727 18.777 462 HB3 LYS 58 HB3 LYS 58 7.866 12.599 19.606 463 HG2 LYS 58 HG2 LYS 58 9.527 13.611 20.693 464 HG3 LYS 58 HG3 LYS 58 9.626 12.120 21.633 465 HD2 LYS 58 HD2 LYS 58 11.384 11.278 20.230 466 HD3 LYS 58 HD3 LYS 58 11.195 12.624 19.104 467 HE2 LYS 58 HE2 LYS 58 11.919 14.184 20.827 468 HE3 LYS 58 HE3 LYS 58 12.061 12.863 21.984 469 HZ1 LYS 58 HZ1 LYS 58 13.786 11.884 20.595 470 HZ2 LYS 58 HZ2 LYS 58 14.210 13.455 21.069 471 HZ3 LYS 58 HZ3 LYS 58 13.658 13.166 19.493 472 H GLU 59 H GLU 59 9.531 9.940 22.268 473 HA GLU 59 HA GLU 59 11.353 8.242 20.740 474 HB2 GLU 59 HB2 GLU 59 12.198 10.004 22.313 475 HB3 GLU 59 HB3 GLU 59 11.512 9.080 23.639 476 HG2 GLU 59 HG2 GLU 59 12.977 7.195 23.057 477 HG3 GLU 59 HG3 GLU 59 13.691 8.171 21.774 478 H GLU 60 H GLU 60 8.493 7.798 22.203 479 HA GLU 60 HA GLU 60 8.810 5.742 24.059 480 HB2 GLU 60 HB2 GLU 60 6.671 7.096 22.965 481 HB3 GLU 60 HB3 GLU 60 6.437 5.466 22.351 482 HG2 GLU 60 HG2 GLU 60 6.693 6.267 25.242 483 HG3 GLU 60 HG3 GLU 60 5.214 5.794 24.410 484 H LEU 61 H LEU 61 8.024 5.510 20.599 485 HA LEU 61 HA LEU 61 9.296 2.865 20.522 486 HB2 LEU 61 HB2 LEU 61 6.574 3.560 19.418 487 HB3 LEU 61 HB3 LEU 61 7.461 2.116 18.971 488 HG LEU 61 HG LEU 61 6.491 2.776 21.756 489 HD11 LEU 61 HD11 LEU 61 4.671 2.269 20.203 490 HD12 LEU 61 HD12 LEU 61 4.890 0.977 21.383 491 HD13 LEU 61 HD13 LEU 61 5.484 0.776 19.734 492 HD21 LEU 61 HD21 LEU 61 8.556 1.434 21.715 493 HD22 LEU 61 HD22 LEU 61 7.758 0.261 20.665 494 HD23 LEU 61 HD23 LEU 61 7.175 0.513 22.310 495 HA PRO 62 HA PRO 62 10.977 4.347 16.619 496 HB2 PRO 62 HB2 PRO 62 10.869 1.554 15.700 497 HB3 PRO 62 HB3 PRO 62 12.272 2.605 15.911 498 HG2 PRO 62 HG2 PRO 62 11.791 0.528 17.552 499 HG3 PRO 62 HG3 PRO 62 12.536 2.030 18.129 500 HD2 PRO 62 HD2 PRO 62 9.705 1.087 18.404 501 HD3 PRO 62 HD3 PRO 62 10.736 1.919 19.589 502 H SER 63 H SER 63 9.491 5.422 15.531 503 HA SER 63 HA SER 63 6.880 4.769 15.094 504 HB2 SER 63 HB2 SER 63 8.504 6.390 13.134 505 HB3 SER 63 HB3 SER 63 6.804 6.591 13.570 506 HG SER 63 HG SER 63 7.473 7.219 15.646 507 H GLN 64 H GLN 64 9.337 4.662 12.526 508 HA GLN 64 HA GLN 64 9.573 3.500 10.611 509 HB2 GLN 64 HB2 GLN 64 9.551 1.149 10.748 510 HB3 GLN 64 HB3 GLN 64 9.958 1.717 12.357 511 HG2 GLN 64 HG2 GLN 64 7.529 1.398 12.955 512 HG3 GLN 64 HG3 GLN 64 7.346 0.574 11.408 513 HE21 GLN 64 HE21 GLN 64 8.717 0.452 14.581 514 HE22 GLN 64 HE22 GLN 64 9.143 -1.223 14.560 515 H GLN 65 H GLN 65 6.596 4.315 11.612 516 HA GLN 65 HA GLN 65 5.388 3.717 9.030 517 HB2 GLN 65 HB2 GLN 65 4.239 2.794 11.670 518 HB3 GLN 65 HB3 GLN 65 3.273 2.958 10.214 519 HG2 GLN 65 HG2 GLN 65 4.696 1.294 9.105 520 HG3 GLN 65 HG3 GLN 65 5.618 1.113 10.598 521 HE21 GLN 65 HE21 GLN 65 4.035 -0.857 9.124 522 HE22 GLN 65 HE22 GLN 65 2.838 -1.445 10.230 523 HA PRO 66 HA PRO 66 3.517 7.680 9.781 524 HB2 PRO 66 HB2 PRO 66 1.149 6.880 8.274 525 HB3 PRO 66 HB3 PRO 66 2.412 8.030 7.831 526 HG2 PRO 66 HG2 PRO 66 2.112 5.652 6.584 527 HG3 PRO 66 HG3 PRO 66 3.695 6.424 6.799 528 HD2 PRO 66 HD2 PRO 66 2.438 4.206 8.381 529 HD3 PRO 66 HD3 PRO 66 4.109 4.363 7.792 530 H ARG 67 H ARG 67 3.127 6.271 12.047 531 HA ARG 67 HA ARG 67 0.222 6.124 12.488 532 HB2 ARG 67 HB2 ARG 67 2.396 5.214 14.385 533 HB3 ARG 67 HB3 ARG 67 0.690 4.800 14.435 534 HG2 ARG 67 HG2 ARG 67 1.287 3.859 12.008 535 HG3 ARG 67 HG3 ARG 67 2.864 3.699 12.776 536 HD2 ARG 67 HD2 ARG 67 0.256 2.501 13.695 537 HD3 ARG 67 HD3 ARG 67 1.645 1.643 13.036 538 HE ARG 67 HE ARG 67 1.296 2.628 15.742 539 HH11 ARG 67 HH11 ARG 67 3.563 1.420 13.337 540 HH12 ARG 67 HH12 ARG 67 4.742 0.934 14.520 541 HH21 ARG 67 HH21 ARG 67 2.829 1.933 17.277 542 HH22 ARG 67 HH22 ARG 67 4.320 1.202 16.748 543 H PHE 68 H PHE 68 -0.652 7.156 14.476 544 HA PHE 68 HA PHE 68 0.898 9.611 14.922 545 HB2 PHE 68 HB2 PHE 68 -1.337 10.824 14.957 546 HB3 PHE 68 HB3 PHE 68 -0.689 10.341 13.401 547 HD1 PHE 68 HD1 PHE 68 -1.722 8.499 12.154 548 HD2 PHE 68 HD2 PHE 68 -3.388 9.968 15.781 549 HE1 PHE 68 HE1 PHE 68 -3.870 7.449 11.588 550 HE2 PHE 68 HE2 PHE 68 -5.539 8.911 15.223 551 HZ PHE 68 HZ PHE 68 -5.782 7.650 13.125 552 H ILE 69 H ILE 69 0.540 10.803 16.718 553 HA ILE 69 HA ILE 69 -0.660 9.344 18.966 554 HB ILE 69 HB ILE 69 1.711 9.240 19.247 555 HG12 ILE 69 HG12 ILE 69 0.168 10.154 21.196 556 HG13 ILE 69 HG13 ILE 69 1.911 10.014 21.398 557 HG21 ILE 69 HG21 ILE 69 3.164 11.227 19.235 558 HG22 ILE 69 HG22 ILE 69 1.788 12.202 18.718 559 HG23 ILE 69 HG23 ILE 69 2.402 10.921 17.674 560 HD11 ILE 69 HD11 ILE 69 0.406 12.533 20.706 561 HD12 ILE 69 HD12 ILE 69 2.153 12.396 20.902 562 HD13 ILE 69 HD13 ILE 69 1.088 12.120 22.279 563 H LEU 70 H LEU 70 -2.274 10.396 19.895 564 HA LEU 70 HA LEU 70 -2.661 13.212 19.228 565 HB2 LEU 70 HB2 LEU 70 -4.452 11.315 19.081 566 HB3 LEU 70 HB3 LEU 70 -4.587 11.547 20.813 567 HG LEU 70 HG LEU 70 -4.932 13.819 18.866 568 HD11 LEU 70 HD11 LEU 70 -6.538 12.078 18.294 569 HD12 LEU 70 HD12 LEU 70 -7.340 13.461 19.040 570 HD13 LEU 70 HD13 LEU 70 -7.056 11.993 19.977 571 HD21 LEU 70 HD21 LEU 70 -6.152 14.843 20.705 572 HD22 LEU 70 HD22 LEU 70 -4.518 14.412 21.213 573 HD23 LEU 70 HD23 LEU 70 -5.886 13.410 21.699 574 H LEU 71 H LEU 71 -1.695 14.577 20.547 575 HA LEU 71 HA LEU 71 -1.425 13.901 23.392 576 HB2 LEU 71 HB2 LEU 71 0.659 14.431 22.216 577 HB3 LEU 71 HB3 LEU 71 -0.014 15.957 21.680 578 HG LEU 71 HG LEU 71 0.438 15.352 24.601 579 HD11 LEU 71 HD11 LEU 71 2.552 15.083 23.374 580 HD12 LEU 71 HD12 LEU 71 2.565 16.516 24.403 581 HD13 LEU 71 HD13 LEU 71 2.332 16.682 22.663 582 HD21 LEU 71 HD21 LEU 71 -1.021 17.258 24.075 583 HD22 LEU 71 HD22 LEU 71 0.250 17.944 23.064 584 HD23 LEU 71 HD23 LEU 71 0.498 17.780 24.803 585 H SER 72 H SER 72 -2.484 15.045 24.909 586 HA SER 72 HA SER 72 -3.850 17.494 24.047 587 HB2 SER 72 HB2 SER 72 -5.434 15.623 24.471 588 HB3 SER 72 HB3 SER 72 -4.817 15.508 26.119 589 HG SER 72 HG SER 72 -5.965 17.182 26.655 590 H TRP 73 H TRP 73 -2.908 19.178 24.953 591 HA TRP 73 HA TRP 73 -1.790 18.845 27.658 592 HB2 TRP 73 HB2 TRP 73 0.059 19.196 26.212 593 HB3 TRP 73 HB3 TRP 73 -0.773 20.464 25.327 594 HD1 TRP 73 HD1 TRP 73 0.649 22.542 25.710 595 HE1 TRP 73 HE1 TRP 73 1.585 23.796 27.750 596 HE3 TRP 73 HE3 TRP 73 -0.669 19.236 29.388 597 HZ2 TRP 73 HZ2 TRP 73 1.740 23.443 30.542 598 HZ3 TRP 73 HZ3 TRP 73 -0.090 19.776 31.715 599 HH2 TRP 73 HH2 TRP 73 1.091 21.837 32.280 600 H CYS 74 H CYS 74 -2.524 20.077 29.171 601 HA CYS 74 HA CYS 74 -4.730 21.776 28.800 602 HB2 CYS 74 HB2 CYS 74 -2.890 21.646 31.190 603 HB3 CYS 74 HB3 CYS 74 -4.567 22.188 31.166 604 HG CYS 74 HG CYS 74 -5.554 19.626 30.458 605 H LYS 75 H LYS 75 -4.396 23.471 27.517 606 HA LYS 75 HA LYS 75 -2.125 25.255 27.990 607 HB2 LYS 75 HB2 LYS 75 -2.252 24.464 25.727 608 HB3 LYS 75 HB3 LYS 75 -3.964 24.823 25.631 609 HG2 LYS 75 HG2 LYS 75 -2.022 27.047 26.057 610 HG3 LYS 75 HG3 LYS 75 -2.223 26.348 24.448 611 HD2 LYS 75 HD2 LYS 75 -4.686 26.754 24.680 612 HD3 LYS 75 HD3 LYS 75 -4.342 27.632 26.170 613 HE2 LYS 75 HE2 LYS 75 -4.540 29.242 24.444 614 HE3 LYS 75 HE3 LYS 75 -2.824 29.112 24.830 615 HZ1 LYS 75 HZ1 LYS 75 -2.492 27.750 22.888 616 HZ2 LYS 75 HZ2 LYS 75 -3.264 29.181 22.428 617 HZ3 LYS 75 HZ3 LYS 75 -4.154 27.742 22.549 618 H LYS 76 H LYS 76 -2.440 27.219 28.813 619 HA LYS 76 HA LYS 76 -5.209 28.112 29.224 620 HB2 LYS 76 HB2 LYS 76 -4.002 27.648 31.291 621 HB3 LYS 76 HB3 LYS 76 -2.700 28.718 30.797 622 HG2 LYS 76 HG2 LYS 76 -4.190 30.627 30.925 623 HG3 LYS 76 HG3 LYS 76 -5.533 29.563 31.358 624 HD2 LYS 76 HD2 LYS 76 -2.992 29.844 32.946 625 HD3 LYS 76 HD3 LYS 76 -4.493 30.696 33.314 626 HE2 LYS 76 HE2 LYS 76 -5.626 28.562 33.636 627 HE3 LYS 76 HE3 LYS 76 -4.148 27.701 33.211 628 HZ1 LYS 76 HZ1 LYS 76 -4.616 27.916 35.645 629 HZ2 LYS 76 HZ2 LYS 76 -4.314 29.578 35.504 630 HZ3 LYS 76 HZ3 LYS 76 -3.088 28.458 35.157 631 H HIS 77 H HIS 77 -5.845 29.934 28.241 632 HA HIS 77 HA HIS 77 -3.798 31.460 26.790 633 HB2 HIS 77 HB2 HIS 77 -5.843 30.368 25.625 634 HB3 HIS 77 HB3 HIS 77 -6.770 31.683 26.336 635 HD1 HIS 77 HD1 HIS 77 -7.152 33.468 24.665 636 HD2 HIS 77 HD2 HIS 77 -3.424 31.674 24.198 637 HE1 HIS 77 HE1 HIS 77 -6.051 34.667 22.746 638 HE2 HIS 77 HE2 HIS 77 -3.839 33.507 22.416 639 H SER 78 H SER 78 -4.821 33.851 26.399 640 HA SER 78 HA SER 78 -4.421 35.203 28.825 641 HB2 SER 78 HB2 SER 78 -5.674 36.349 26.330 642 HB3 SER 78 HB3 SER 78 -4.697 37.188 27.538 643 HG SER 78 HG SER 78 -3.561 36.606 25.569 644 H ASP 79 H ASP 79 -7.099 33.539 27.939 645 HA ASP 79 HA ASP 79 -9.132 35.358 28.865 646 HB2 ASP 79 HB2 ASP 79 -9.239 33.271 27.192 647 HB3 ASP 79 HB3 ASP 79 -9.634 32.423 28.683 648 H GLU 80 H GLU 80 -6.756 33.706 30.358 649 HA GLU 80 HA GLU 80 -6.215 33.353 32.517 650 HB2 GLU 80 HB2 GLU 80 -8.796 34.819 33.071 651 HB3 GLU 80 HB3 GLU 80 -7.598 34.406 34.289 652 HG2 GLU 80 HG2 GLU 80 -5.936 35.751 33.034 653 HG3 GLU 80 HG3 GLU 80 -7.228 36.252 31.943 654 H ARG 81 H ARG 81 -7.992 31.485 30.991 655 HA ARG 81 HA ARG 81 -8.634 29.796 33.299 656 HB2 ARG 81 HB2 ARG 81 -10.649 28.962 32.162 657 HB3 ARG 81 HB3 ARG 81 -10.763 30.691 32.464 658 HG2 ARG 81 HG2 ARG 81 -9.765 30.805 30.015 659 HG3 ARG 81 HG3 ARG 81 -10.527 29.217 29.907 660 HD2 ARG 81 HD2 ARG 81 -11.946 31.692 30.855 661 HD3 ARG 81 HD3 ARG 81 -11.944 31.154 29.179 662 HE ARG 81 HE ARG 81 -12.819 29.066 30.893 663 HH11 ARG 81 HH11 ARG 81 -13.819 32.124 29.523 664 HH12 ARG 81 HH12 ARG 81 -15.507 31.717 29.508 665 HH21 ARG 81 HH21 ARG 81 -15.052 28.521 30.872 666 HH22 ARG 81 HH22 ARG 81 -16.210 29.674 30.284 667 H ILE 82 H ILE 82 -8.275 27.578 32.953 668 HA ILE 82 HA ILE 82 -6.345 27.140 30.813 669 HB ILE 82 HB ILE 82 -5.715 26.541 33.125 670 HG12 ILE 82 HG12 ILE 82 -5.903 24.099 31.363 671 HG13 ILE 82 HG13 ILE 82 -4.753 25.408 31.103 672 HG21 ILE 82 HG21 ILE 82 -7.854 24.434 32.880 673 HG22 ILE 82 HG22 ILE 82 -7.865 25.814 33.978 674 HG23 ILE 82 HG23 ILE 82 -6.662 24.538 34.176 675 HD11 ILE 82 HD11 ILE 82 -4.920 23.690 33.568 676 HD12 ILE 82 HD12 ILE 82 -3.742 24.967 33.260 677 HD13 ILE 82 HD13 ILE 82 -3.748 23.514 32.262 678 H SER 83 H SER 83 -6.652 25.873 29.136 679 HA SER 83 HA SER 83 -9.081 24.203 29.060 680 HB2 SER 83 HB2 SER 83 -9.109 24.678 26.574 681 HB3 SER 83 HB3 SER 83 -9.469 26.070 27.595 682 HG SER 83 HG SER 83 -6.857 26.049 27.261 683 H TYR 84 H TYR 84 -8.652 22.702 26.850 684 HA TYR 84 HA TYR 84 -5.889 21.818 26.893 685 HB2 TYR 84 HB2 TYR 84 -6.882 19.366 26.982 686 HB3 TYR 84 HB3 TYR 84 -6.474 20.248 28.445 687 HD1 TYR 84 HD1 TYR 84 -8.253 21.188 29.862 688 HD2 TYR 84 HD2 TYR 84 -9.165 18.802 26.457 689 HE1 TYR 84 HE1 TYR 84 -10.525 20.845 30.724 690 HE2 TYR 84 HE2 TYR 84 -11.452 18.460 27.307 691 HH TYR 84 HH TYR 84 -12.601 18.486 29.573 692 HA PRO 85 HA PRO 85 -7.355 21.741 22.571 693 HB2 PRO 85 HB2 PRO 85 -4.591 22.590 22.088 694 HB3 PRO 85 HB3 PRO 85 -6.100 23.367 21.598 695 HG2 PRO 85 HG2 PRO 85 -4.494 24.416 23.490 696 HG3 PRO 85 HG3 PRO 85 -6.259 24.586 23.544 697 HD2 PRO 85 HD2 PRO 85 -4.489 22.690 25.051 698 HD3 PRO 85 HD3 PRO 85 -5.888 23.623 25.627 699 H MET 86 H MET 86 -7.292 19.801 21.675 700 HA MET 86 HA MET 86 -5.025 18.019 22.240 701 HB2 MET 86 HB2 MET 86 -7.625 17.226 20.944 702 HB3 MET 86 HB3 MET 86 -6.494 16.219 21.842 703 HG2 MET 86 HG2 MET 86 -7.257 16.921 23.873 704 HG3 MET 86 HG3 MET 86 -7.831 18.470 23.246 705 HE1 MET 86 HE1 MET 86 -10.193 18.757 23.933 706 HE2 MET 86 HE2 MET 86 -9.808 17.528 25.139 707 HE3 MET 86 HE3 MET 86 -11.308 17.421 24.217 708 H LEU 87 H LEU 87 -3.693 17.350 20.618 709 HA LEU 87 HA LEU 87 -4.703 17.555 17.903 710 HB2 LEU 87 HB2 LEU 87 -2.414 18.347 17.140 711 HB3 LEU 87 HB3 LEU 87 -3.488 19.512 17.867 712 HG LEU 87 HG LEU 87 -1.146 19.855 18.487 713 HD11 LEU 87 HD11 LEU 87 -1.446 20.044 20.908 714 HD12 LEU 87 HD12 LEU 87 -2.916 19.076 20.787 715 HD13 LEU 87 HD13 LEU 87 -2.829 20.650 19.998 716 HD21 LEU 87 HD21 LEU 87 -0.337 17.598 18.444 717 HD22 LEU 87 HD22 LEU 87 -1.361 17.170 19.815 718 HD23 LEU 87 HD23 LEU 87 -0.034 18.312 20.029 719 H LEU 88 H LEU 88 -4.030 16.038 16.494 720 HA LEU 88 HA LEU 88 -2.375 13.901 17.660 721 HB2 LEU 88 HB2 LEU 88 -3.398 12.358 16.063 722 HB3 LEU 88 HB3 LEU 88 -4.596 13.102 17.100 723 HG LEU 88 HG LEU 88 -4.075 14.190 14.349 724 HD11 LEU 88 HD11 LEU 88 -5.932 11.929 15.080 725 HD12 LEU 88 HD12 LEU 88 -4.504 11.816 14.049 726 HD13 LEU 88 HD13 LEU 88 -5.896 12.766 13.528 727 HD21 LEU 88 HD21 LEU 88 -6.403 14.907 14.558 728 HD22 LEU 88 HD22 LEU 88 -5.413 15.532 15.878 729 HD23 LEU 88 HD23 LEU 88 -6.488 14.162 16.153 730 H ILE 89 H ILE 89 -0.427 13.643 16.876 731 HA ILE 89 HA ILE 89 0.165 14.841 14.251 732 HB ILE 89 HB ILE 89 2.033 14.499 16.591 733 HG12 ILE 89 HG12 ILE 89 0.863 17.011 15.397 734 HG13 ILE 89 HG13 ILE 89 0.320 16.266 16.899 735 HG21 ILE 89 HG21 ILE 89 3.222 14.277 14.497 736 HG22 ILE 89 HG22 ILE 89 3.615 15.825 15.248 737 HG23 ILE 89 HG23 ILE 89 2.483 15.760 13.897 738 HD11 ILE 89 HD11 ILE 89 3.046 17.430 16.366 739 HD12 ILE 89 HD12 ILE 89 2.544 16.650 17.864 740 HD13 ILE 89 HD13 ILE 89 1.769 18.148 17.348 741 H TYR 90 H TYR 90 0.479 13.360 12.730 742 HA TYR 90 HA TYR 90 1.580 10.775 13.520 743 HB2 TYR 90 HB2 TYR 90 1.027 10.071 11.154 744 HB3 TYR 90 HB3 TYR 90 -0.331 10.422 12.204 745 HD1 TYR 90 HD1 TYR 90 0.968 10.854 9.003 746 HD2 TYR 90 HD2 TYR 90 -1.219 12.940 12.000 747 HE1 TYR 90 HE1 TYR 90 0.019 12.326 7.280 748 HE2 TYR 90 HE2 TYR 90 -2.166 14.421 10.285 749 HH TYR 90 HH TYR 90 -1.329 15.195 7.855 750 H TYR 91 H TYR 91 3.613 10.779 13.669 751 HA TYR 91 HA TYR 91 5.253 12.312 11.818 752 HB2 TYR 91 HB2 TYR 91 7.103 11.744 13.458 753 HB3 TYR 91 HB3 TYR 91 5.823 12.770 14.079 754 HD1 TYR 91 HD1 TYR 91 3.759 11.023 15.019 755 HD2 TYR 91 HD2 TYR 91 7.965 10.403 15.113 756 HE1 TYR 91 HE1 TYR 91 3.487 9.530 16.946 757 HE2 TYR 91 HE2 TYR 91 7.700 8.897 17.039 758 HH TYR 91 HH TYR 91 5.990 8.565 18.908 759 H CYS 92 H CYS 92 5.658 11.255 10.033 760 HA CYS 92 HA CYS 92 6.283 8.385 10.188 761 HB2 CYS 92 HB2 CYS 92 5.374 8.392 7.779 762 HB3 CYS 92 HB3 CYS 92 4.215 8.492 9.099 763 HG CYS 92 HG CYS 92 3.602 11.126 8.798 764 HA PRO 93 HA PRO 93 9.923 10.193 8.229 765 HB2 PRO 93 HB2 PRO 93 11.766 8.779 9.514 766 HB3 PRO 93 HB3 PRO 93 10.901 10.091 10.306 767 HG2 PRO 93 HG2 PRO 93 10.566 7.159 10.625 768 HG3 PRO 93 HG3 PRO 93 10.343 8.450 11.815 769 HD2 PRO 93 HD2 PRO 93 8.325 7.157 10.307 770 HD3 PRO 93 HD3 PRO 93 8.135 8.596 11.327 771 H ASN 94 H ASN 94 11.636 7.409 8.770 772 HA ASN 94 HA ASN 94 11.305 6.646 5.963 773 HB2 ASN 94 HB2 ASN 94 13.569 6.054 7.886 774 HB3 ASN 94 HB3 ASN 94 13.521 5.573 6.195 775 HD21 ASN 94 HD21 ASN 94 15.358 6.704 5.648 776 HD22 ASN 94 HD22 ASN 94 15.412 8.442 5.595 777 H GLY 95 H GLY 95 10.805 4.596 5.376 778 HA2 GLY 95 HA2 GLY 95 10.481 2.250 5.885 779 HA3 GLY 95 HA3 GLY 95 10.175 2.708 7.558 780 H SER 96 H SER 96 8.613 5.056 6.587 781 HA SER 96 HA SER 96 6.045 4.103 6.861 782 HB2 SER 96 HB2 SER 96 6.799 6.541 5.243 783 HB3 SER 96 HB3 SER 96 5.325 6.282 6.179 784 HG SER 96 HG SER 96 7.630 7.334 6.988 785 H SER 97 H SER 97 4.840 2.832 5.615 786 HA SER 97 HA SER 97 5.439 2.369 2.846 787 HB2 SER 97 HB2 SER 97 3.031 1.459 4.439 788 HB3 SER 97 HB3 SER 97 3.648 0.749 2.946 789 HG SER 97 HG SER 97 5.683 0.547 4.359 790 HA PRO 98 HA PRO 98 3.100 5.584 0.970 791 HB2 PRO 98 HB2 PRO 98 2.113 4.128 -1.193 792 HB3 PRO 98 HB3 PRO 98 3.673 4.951 -1.127 793 HG2 PRO 98 HG2 PRO 98 3.023 2.076 -0.667 794 HG3 PRO 98 HG3 PRO 98 4.431 2.797 -1.470 795 HD2 PRO 98 HD2 PRO 98 4.602 1.825 1.014 796 HD3 PRO 98 HD3 PRO 98 5.475 3.299 0.543 797 H GLU 99 H GLU 99 1.438 2.405 1.150 798 HA GLU 99 HA GLU 99 -1.149 3.545 0.875 799 HB2 GLU 99 HB2 GLU 99 -0.830 1.044 2.449 800 HB3 GLU 99 HB3 GLU 99 -2.036 1.459 1.251 801 HG2 GLU 99 HG2 GLU 99 -0.899 -0.079 0.064 802 HG3 GLU 99 HG3 GLU 99 0.074 1.332 -0.353 803 H LEU 100 H LEU 100 0.836 2.688 3.679 804 HA LEU 100 HA LEU 100 -1.119 3.207 5.631 805 HB2 LEU 100 HB2 LEU 100 1.867 3.498 5.892 806 HB3 LEU 100 HB3 LEU 100 0.730 3.375 7.215 807 HG LEU 100 HG LEU 100 1.309 1.203 5.198 808 HD11 LEU 100 HD11 LEU 100 2.356 0.049 7.071 809 HD12 LEU 100 HD12 LEU 100 2.046 1.439 8.111 810 HD13 LEU 100 HD13 LEU 100 3.156 1.587 6.749 811 HD21 LEU 100 HD21 LEU 100 -0.062 -0.202 6.676 812 HD22 LEU 100 HD22 LEU 100 -0.994 1.117 5.966 813 HD23 LEU 100 HD23 LEU 100 -0.458 1.219 7.643 814 H GLN 101 H GLN 101 1.189 5.309 3.990 815 HA GLN 101 HA GLN 101 0.738 7.661 5.447 816 HB2 GLN 101 HB2 GLN 101 1.360 7.267 2.513 817 HB3 GLN 101 HB3 GLN 101 1.379 8.831 3.317 818 HG2 GLN 101 HG2 GLN 101 3.191 8.187 4.706 819 HG3 GLN 101 HG3 GLN 101 3.064 6.507 4.196 820 HE21 GLN 101 HE21 GLN 101 2.776 9.158 1.939 821 HE22 GLN 101 HE22 GLN 101 4.291 8.890 1.141 822 H MET 102 H MET 102 -0.906 6.380 2.589 823 HA MET 102 HA MET 102 -2.906 8.378 2.420 824 HB2 MET 102 HB2 MET 102 -2.737 5.545 1.392 825 HB3 MET 102 HB3 MET 102 -4.088 6.602 1.026 826 HG2 MET 102 HG2 MET 102 -1.216 7.200 0.360 827 HG3 MET 102 HG3 MET 102 -2.384 6.494 -0.756 828 HE1 MET 102 HE1 MET 102 -5.064 8.095 -0.014 829 HE2 MET 102 HE2 MET 102 -4.508 7.709 -1.642 830 HE3 MET 102 HE3 MET 102 -4.966 9.364 -1.236 831 H LEU 103 H LEU 103 -2.567 5.499 4.296 832 HA LEU 103 HA LEU 103 -5.323 5.075 4.913 833 HB2 LEU 103 HB2 LEU 103 -3.765 3.244 4.981 834 HB3 LEU 103 HB3 LEU 103 -2.739 4.084 6.124 835 HG LEU 103 HG LEU 103 -4.434 3.845 7.858 836 HD11 LEU 103 HD11 LEU 103 -6.433 2.502 7.487 837 HD12 LEU 103 HD12 LEU 103 -6.004 2.313 5.786 838 HD13 LEU 103 HD13 LEU 103 -6.420 3.906 6.419 839 HD21 LEU 103 HD21 LEU 103 -3.818 1.246 6.462 840 HD22 LEU 103 HD22 LEU 103 -4.283 1.432 8.154 841 HD23 LEU 103 HD23 LEU 103 -2.753 2.098 7.582 842 H TYR 104 H TYR 104 -2.562 6.144 6.907 843 HA TYR 104 HA TYR 104 -4.249 6.792 9.109 844 HB2 TYR 104 HB2 TYR 104 -1.329 7.377 8.599 845 HB3 TYR 104 HB3 TYR 104 -2.155 7.706 10.120 846 HD1 TYR 104 HD1 TYR 104 -2.870 5.870 11.568 847 HD2 TYR 104 HD2 TYR 104 -0.756 5.111 7.962 848 HE1 TYR 104 HE1 TYR 104 -2.414 3.575 12.321 849 HE2 TYR 104 HE2 TYR 104 -0.302 2.815 8.699 850 HH TYR 104 HH TYR 104 -1.918 1.314 11.111 851 H ALA 105 H ALA 105 -2.573 8.720 6.634 852 HA ALA 105 HA ALA 105 -3.477 11.221 7.689 853 HB1 ALA 105 HB1 ALA 105 -1.525 11.101 6.226 854 HB2 ALA 105 HB2 ALA 105 -2.756 12.175 5.561 855 HB3 ALA 105 HB3 ALA 105 -2.548 10.554 4.898 856 H GLY 106 H GLY 106 -4.861 8.751 5.760 857 HA2 GLY 106 HA2 GLY 106 -6.947 10.370 4.608 858 HA3 GLY 106 HA3 GLY 106 -6.824 8.612 4.550 859 H SER 107 H SER 107 -6.478 8.545 7.514 860 HA SER 107 HA SER 107 -9.337 8.637 8.127 861 HB2 SER 107 HB2 SER 107 -7.085 7.241 9.589 862 HB3 SER 107 HB3 SER 107 -8.805 7.089 9.948 863 HG SER 107 HG SER 107 -7.500 6.324 7.537 864 H ARG 108 H ARG 108 -6.405 10.262 8.891 865 HA ARG 108 HA ARG 108 -6.966 10.899 11.574 866 HB2 ARG 108 HB2 ARG 108 -5.189 12.565 11.421 867 HB3 ARG 108 HB3 ARG 108 -4.700 11.019 10.753 868 HG2 ARG 108 HG2 ARG 108 -3.824 12.457 9.218 869 HG3 ARG 108 HG3 ARG 108 -5.391 12.124 8.482 870 HD2 ARG 108 HD2 ARG 108 -6.251 14.204 9.080 871 HD3 ARG 108 HD3 ARG 108 -5.039 14.451 10.338 872 HE ARG 108 HE ARG 108 -3.545 14.384 8.094 873 HH11 ARG 108 HH11 ARG 108 -6.449 16.167 8.889 874 HH12 ARG 108 HH12 ARG 108 -6.000 17.568 7.974 875 HH21 ARG 108 HH21 ARG 108 -2.946 16.219 6.883 876 HH22 ARG 108 HH22 ARG 108 -4.014 17.584 6.802 877 H ASN 109 H ASN 109 -8.236 12.216 8.670 878 HA ASN 109 HA ASN 109 -9.049 14.668 9.991 879 HB2 ASN 109 HB2 ASN 109 -10.295 15.101 7.818 880 HB3 ASN 109 HB3 ASN 109 -8.542 15.024 7.710 881 HD21 ASN 109 HD21 ASN 109 -8.674 14.589 5.505 882 HD22 ASN 109 HD22 ASN 109 -9.128 13.025 4.917 883 H PHE 110 H PHE 110 -10.379 11.540 9.236 884 HA PHE 110 HA PHE 110 -13.099 12.207 9.782 885 HB2 PHE 110 HB2 PHE 110 -11.616 9.584 9.670 886 HB3 PHE 110 HB3 PHE 110 -13.322 9.681 10.085 887 HD1 PHE 110 HD1 PHE 110 -14.901 10.727 8.415 888 HD2 PHE 110 HD2 PHE 110 -10.926 9.566 7.442 889 HE1 PHE 110 HE1 PHE 110 -15.498 10.697 6.029 890 HE2 PHE 110 HE2 PHE 110 -11.514 9.542 5.054 891 HZ PHE 110 HZ PHE 110 -13.800 10.106 4.344 892 H ILE 111 H ILE 111 -10.434 10.874 11.679 893 HA ILE 111 HA ILE 111 -11.997 10.365 13.987 894 HB ILE 111 HB ILE 111 -9.836 9.247 13.539 895 HG12 ILE 111 HG12 ILE 111 -9.872 10.742 16.171 896 HG13 ILE 111 HG13 ILE 111 -10.865 9.334 15.810 897 HG21 ILE 111 HG21 ILE 111 -8.644 11.912 14.297 898 HG22 ILE 111 HG22 ILE 111 -8.558 11.132 12.718 899 HG23 ILE 111 HG23 ILE 111 -7.740 10.409 14.103 900 HD11 ILE 111 HD11 ILE 111 -8.904 8.743 17.117 901 HD12 ILE 111 HD12 ILE 111 -7.860 9.396 15.855 902 HD13 ILE 111 HD13 ILE 111 -8.864 7.984 15.525 903 H VAL 112 H VAL 112 -10.434 13.225 12.776 904 HA VAL 112 HA VAL 112 -10.395 14.767 15.120 905 HB VAL 112 HB VAL 112 -10.784 15.596 12.236 906 HG11 VAL 112 HG11 VAL 112 -10.391 17.890 12.914 907 HG12 VAL 112 HG12 VAL 112 -10.280 17.399 14.605 908 HG13 VAL 112 HG13 VAL 112 -11.814 17.262 13.746 909 HG21 VAL 112 HG21 VAL 112 -8.473 16.386 12.454 910 HG22 VAL 112 HG22 VAL 112 -8.603 14.657 12.778 911 HG23 VAL 112 HG23 VAL 112 -8.432 15.794 14.115 912 H ASN 113 H ASN 113 -12.947 14.126 12.780 913 HA ASN 113 HA ASN 113 -14.887 15.839 13.959 914 HB2 ASN 113 HB2 ASN 113 -15.033 15.134 11.618 915 HB3 ASN 113 HB3 ASN 113 -15.212 13.457 12.117 916 HD21 ASN 113 HD21 ASN 113 -17.166 12.732 12.847 917 HD22 ASN 113 HD22 ASN 113 -18.617 13.663 12.754 918 H GLU 114 H GLU 114 -13.829 12.593 14.556 919 HA GLU 114 HA GLU 114 -16.095 11.561 15.862 920 HB2 GLU 114 HB2 GLU 114 -13.445 10.700 15.307 921 HB3 GLU 114 HB3 GLU 114 -13.730 10.462 17.020 922 HG2 GLU 114 HG2 GLU 114 -15.527 9.433 14.838 923 HG3 GLU 114 HG3 GLU 114 -14.272 8.489 15.643 924 H CYS 115 H CYS 115 -13.385 13.466 17.078 925 HA CYS 115 HA CYS 115 -14.659 13.410 19.738 926 HB2 CYS 115 HB2 CYS 115 -11.698 13.554 19.174 927 HB3 CYS 115 HB3 CYS 115 -12.464 13.434 20.755 928 HG CYS 115 HG CYS 115 -11.944 11.032 18.435 929 H HIS 116 H HIS 116 -14.446 15.345 17.293 930 HA HIS 116 HA HIS 116 -14.192 17.563 16.858 931 HB2 HIS 116 HB2 HIS 116 -15.994 17.571 18.639 932 HB3 HIS 116 HB3 HIS 116 -14.736 17.934 19.814 933 HD1 HIS 116 HD1 HIS 116 -14.488 20.351 20.289 934 HD2 HIS 116 HD2 HIS 116 -15.996 19.668 16.476 935 HE1 HIS 116 HE1 HIS 116 -14.933 22.627 19.319 936 HE2 HIS 116 HE2 HIS 116 -16.037 22.178 17.098 937 H VAL 117 H VAL 117 -11.836 16.416 16.967 938 HA VAL 117 HA VAL 117 -10.014 17.245 18.950 939 HB VAL 117 HB VAL 117 -9.333 16.686 16.061 940 HG11 VAL 117 HG11 VAL 117 -7.528 17.681 17.354 941 HG12 VAL 117 HG12 VAL 117 -7.172 15.997 16.973 942 HG13 VAL 117 HG13 VAL 117 -7.714 16.438 18.592 943 HG21 VAL 117 HG21 VAL 117 -9.609 14.742 18.348 944 HG22 VAL 117 HG22 VAL 117 -8.966 14.366 16.749 945 HG23 VAL 117 HG23 VAL 117 -10.654 14.845 16.930 946 H SER 118 H SER 118 -8.975 19.100 19.293 947 HA SER 118 HA SER 118 -9.820 21.477 18.089 948 HB2 SER 118 HB2 SER 118 -8.907 21.355 20.377 949 HB3 SER 118 HB3 SER 118 -7.317 20.972 19.719 950 HG SER 118 HG SER 118 -8.504 23.256 18.710 951 H LYS 119 H LYS 119 -6.923 19.496 17.557 952 HA LYS 119 HA LYS 119 -6.571 20.635 14.953 953 HB2 LYS 119 HB2 LYS 119 -4.139 21.299 15.533 954 HB3 LYS 119 HB3 LYS 119 -5.449 22.405 15.908 955 HG2 LYS 119 HG2 LYS 119 -5.429 21.621 18.237 956 HG3 LYS 119 HG3 LYS 119 -4.078 20.554 17.847 957 HD2 LYS 119 HD2 LYS 119 -4.050 23.553 17.533 958 HD3 LYS 119 HD3 LYS 119 -3.371 22.675 18.906 959 HE2 LYS 119 HE2 LYS 119 -1.695 21.705 17.614 960 HE3 LYS 119 HE3 LYS 119 -2.542 22.030 16.105 961 HZ1 LYS 119 HZ1 LYS 119 -1.201 24.017 17.862 962 HZ2 LYS 119 HZ2 LYS 119 -2.142 24.429 16.513 963 HZ3 LYS 119 HZ3 LYS 119 -0.714 23.536 16.310 964 H ASN 120 H ASN 120 -4.662 19.772 13.838 965 HA ASN 120 HA ASN 120 -3.535 17.326 14.949 966 HB2 ASN 120 HB2 ASN 120 -3.895 16.182 12.720 967 HB3 ASN 120 HB3 ASN 120 -5.352 16.427 13.677 968 HD21 ASN 120 HD21 ASN 120 -6.883 17.890 12.997 969 HD22 ASN 120 HD22 ASN 120 -6.895 18.570 11.405 970 H THR 121 H THR 121 -1.636 16.594 13.616 971 HA THR 121 HA THR 121 -0.426 18.595 11.922 972 HB THR 121 HB THR 121 0.806 17.982 14.616 973 HG1 THR 121 HG1 THR 121 -0.934 19.885 13.796 974 HG21 THR 121 HG21 THR 121 2.508 18.274 12.879 975 HG22 THR 121 HG22 THR 121 2.509 19.632 14.006 976 HG23 THR 121 HG23 THR 121 1.775 19.807 12.411 977 H GLU 122 H GLU 122 1.353 17.778 10.722 978 HA GLU 122 HA GLU 122 2.326 15.135 11.527 979 HB2 GLU 122 HB2 GLU 122 2.326 14.314 9.260 980 HB3 GLU 122 HB3 GLU 122 0.700 14.809 9.699 981 HG2 GLU 122 HG2 GLU 122 2.541 16.617 8.178 982 HG3 GLU 122 HG3 GLU 122 1.555 15.398 7.375 983 H ILE 123 H ILE 123 4.458 14.769 11.205 984 HA ILE 123 HA ILE 123 5.991 16.626 9.577 985 HB ILE 123 HB ILE 123 7.823 16.511 11.433 986 HG12 ILE 123 HG12 ILE 123 5.292 16.213 13.065 987 HG13 ILE 123 HG13 ILE 123 6.647 15.092 13.014 988 HG21 ILE 123 HG21 ILE 123 6.989 18.654 12.357 989 HG22 ILE 123 HG22 ILE 123 5.473 18.380 11.496 990 HG23 ILE 123 HG23 ILE 123 6.980 18.562 10.597 991 HD11 ILE 123 HD11 ILE 123 6.745 17.911 14.079 992 HD12 ILE 123 HD12 ILE 123 8.091 16.772 14.045 993 HD13 ILE 123 HD13 ILE 123 6.677 16.439 15.045 994 H ARG 124 H ARG 124 7.722 15.717 8.585 995 HA ARG 124 HA ARG 124 7.818 12.794 8.793 996 HB2 ARG 124 HB2 ARG 124 7.369 14.096 6.588 997 HB3 ARG 124 HB3 ARG 124 9.093 14.425 6.607 998 HG2 ARG 124 HG2 ARG 124 7.978 11.639 6.727 999 HG3 ARG 124 HG3 ARG 124 8.316 12.462 5.213 1000 HD2 ARG 124 HD2 ARG 124 10.662 12.752 5.957 1001 HD3 ARG 124 HD3 ARG 124 10.284 11.784 7.381 1002 HE ARG 124 HE ARG 124 9.676 9.990 5.711 1003 HH11 ARG 124 HH11 ARG 124 12.091 12.451 5.094 1004 HH12 ARG 124 HH12 ARG 124 12.956 11.493 3.925 1005 HH21 ARG 124 HH21 ARG 124 10.813 8.715 4.196 1006 HH22 ARG 124 HH22 ARG 124 12.204 9.371 3.389 1007 H ASP 125 H ASP 125 9.016 13.335 10.847 1008 HA ASP 125 HA ASP 125 11.614 12.444 10.613 1009 HB2 ASP 125 HB2 ASP 125 12.129 14.690 9.697 1010 HB3 ASP 125 HB3 ASP 125 11.528 15.412 11.187 1011 H ILE 126 H ILE 126 12.670 12.248 12.675 1012 HA ILE 126 HA ILE 126 10.758 12.376 14.895 1013 HB ILE 126 HB ILE 126 13.432 10.963 14.785 1014 HG12 ILE 126 HG12 ILE 126 11.854 10.013 13.151 1015 HG13 ILE 126 HG13 ILE 126 12.150 8.893 14.477 1016 HG21 ILE 126 HG21 ILE 126 12.734 11.483 17.052 1017 HG22 ILE 126 HG22 ILE 126 12.599 9.748 16.759 1018 HG23 ILE 126 HG23 ILE 126 11.155 10.760 16.752 1019 HD11 ILE 126 HD11 ILE 126 10.020 9.525 15.484 1020 HD12 ILE 126 HD12 ILE 126 9.808 8.925 13.838 1021 HD13 ILE 126 HD13 ILE 126 9.732 10.657 14.162 1022 H ASP 127 H ASP 127 13.740 13.722 13.727 1023 HA ASP 127 HA ASP 127 14.677 14.595 16.296 1024 HB2 ASP 127 HB2 ASP 127 15.629 15.002 13.482 1025 HB3 ASP 127 HB3 ASP 127 16.321 15.935 14.807 1026 H GLU 128 H GLU 128 12.838 16.049 13.674 1027 HA GLU 128 HA GLU 128 12.993 18.665 14.877 1028 HB2 GLU 128 HB2 GLU 128 11.415 19.381 13.153 1029 HB3 GLU 128 HB3 GLU 128 12.767 18.502 12.460 1030 HG2 GLU 128 HG2 GLU 128 11.360 16.513 12.254 1031 HG3 GLU 128 HG3 GLU 128 10.002 17.415 12.932 1032 H ILE 129 H ILE 129 11.648 16.049 16.024 1033 HA ILE 129 HA ILE 129 9.242 17.386 17.049 1034 HB ILE 129 HB ILE 129 10.162 14.580 17.690 1035 HG12 ILE 129 HG12 ILE 129 8.178 15.451 15.580 1036 HG13 ILE 129 HG13 ILE 129 9.782 14.801 15.262 1037 HG21 ILE 129 HG21 ILE 129 7.480 15.934 17.953 1038 HG22 ILE 129 HG22 ILE 129 8.597 15.576 19.269 1039 HG23 ILE 129 HG23 ILE 129 7.841 14.259 18.374 1040 HD11 ILE 129 HD11 ILE 129 9.136 12.690 16.288 1041 HD12 ILE 129 HD12 ILE 129 8.073 13.115 14.946 1042 HD13 ILE 129 HD13 ILE 129 7.527 13.337 16.608 1043 H ASP 130 H ASP 130 9.440 18.488 18.883 1044 HA ASP 130 HA ASP 130 11.139 17.592 21.027 1045 HB2 ASP 130 HB2 ASP 130 12.736 18.724 19.475 1046 HB3 ASP 130 HB3 ASP 130 11.786 20.198 19.619 1047 H ASP 131 H ASP 131 11.019 19.145 22.883 1048 HA ASP 131 HA ASP 131 8.418 19.965 23.504 1049 HB2 ASP 131 HB2 ASP 131 10.229 19.525 25.159 1050 HB3 ASP 131 HB3 ASP 131 11.026 21.007 24.645 1051 H GLU 132 H GLU 132 10.929 21.441 21.715 1052 HA GLU 132 HA GLU 132 10.491 24.138 21.880 1053 HB2 GLU 132 HB2 GLU 132 11.647 24.332 19.838 1054 HB3 GLU 132 HB3 GLU 132 12.255 22.848 20.551 1055 HG2 GLU 132 HG2 GLU 132 11.889 21.985 18.504 1056 HG3 GLU 132 HG3 GLU 132 10.213 21.898 19.038 1057 H LEU 133 H LEU 133 8.557 21.759 20.093 1058 HA LEU 133 HA LEU 133 7.224 23.802 18.593 1059 HB2 LEU 133 HB2 LEU 133 5.738 21.997 17.791 1060 HB3 LEU 133 HB3 LEU 133 7.431 21.720 17.492 1061 HG LEU 133 HG LEU 133 7.239 20.304 19.724 1062 HD11 LEU 133 HD11 LEU 133 4.437 20.242 18.618 1063 HD12 LEU 133 HD12 LEU 133 4.927 20.887 20.186 1064 HD13 LEU 133 HD13 LEU 133 5.080 19.161 19.855 1065 HD21 LEU 133 HD21 LEU 133 7.933 19.459 17.542 1066 HD22 LEU 133 HD22 LEU 133 6.245 19.352 17.043 1067 HD23 LEU 133 HD23 LEU 133 6.845 18.330 18.349 1068 H LEU 134 H LEU 134 6.657 22.283 21.658 1069 HA LEU 134 HA LEU 134 3.877 22.550 21.799 1070 HB2 LEU 134 HB2 LEU 134 5.847 22.896 24.050 1071 HB3 LEU 134 HB3 LEU 134 4.131 22.577 24.215 1072 HG LEU 134 HG LEU 134 6.157 20.688 23.011 1073 HD11 LEU 134 HD11 LEU 134 6.418 20.910 25.416 1074 HD12 LEU 134 HD12 LEU 134 5.731 19.338 25.010 1075 HD13 LEU 134 HD13 LEU 134 4.694 20.616 25.645 1076 HD21 LEU 134 HD21 LEU 134 3.218 20.318 23.580 1077 HD22 LEU 134 HD22 LEU 134 4.326 19.065 23.020 1078 HD23 LEU 134 HD23 LEU 134 3.960 20.444 21.984 1079 H GLU 135 H GLU 135 6.430 24.904 22.369 1080 HA GLU 135 HA GLU 135 4.766 26.926 23.470 1081 HB2 GLU 135 HB2 GLU 135 7.436 27.180 22.075 1082 HB3 GLU 135 HB3 GLU 135 6.681 28.412 23.077 1083 HG2 GLU 135 HG2 GLU 135 6.810 26.902 25.008 1084 HG3 GLU 135 HG3 GLU 135 7.604 25.698 23.994 1085 H SER 136 H SER 136 5.254 25.803 20.292 1086 HA SER 136 HA SER 136 4.117 28.249 19.124 1087 HB2 SER 136 HB2 SER 136 6.146 27.652 18.017 1088 HB3 SER 136 HB3 SER 136 5.690 25.953 17.941 1089 HG SER 136 HG SER 136 4.610 28.134 16.471 1090 H LYS 137 H LYS 137 3.533 24.926 19.802 1091 HA LYS 137 HA LYS 137 1.446 24.661 17.844 1092 HB2 LYS 137 HB2 LYS 137 2.924 22.814 19.603 1093 HB3 LYS 137 HB3 LYS 137 1.273 22.355 19.202 1094 HG2 LYS 137 HG2 LYS 137 2.998 21.416 17.672 1095 HG3 LYS 137 HG3 LYS 137 1.754 22.367 16.864 1096 HD2 LYS 137 HD2 LYS 137 3.347 24.319 16.958 1097 HD3 LYS 137 HD3 LYS 137 4.585 23.182 17.494 1098 HE2 LYS 137 HE2 LYS 137 4.340 21.908 15.441 1099 HE3 LYS 137 HE3 LYS 137 3.032 22.968 14.916 1100 HZ1 LYS 137 HZ1 LYS 137 4.738 24.818 15.095 1101 HZ2 LYS 137 HZ2 LYS 137 4.918 23.739 13.807 1102 HZ3 LYS 137 HZ3 LYS 137 5.915 23.597 15.172 1103 H PHE 138 H PHE 138 1.723 25.374 21.202 1104 HA PHE 138 HA PHE 138 -1.199 25.175 21.468 1105 HB2 PHE 138 HB2 PHE 138 0.963 25.057 23.574 1106 HB3 PHE 138 HB3 PHE 138 -0.753 25.198 23.948 1107 HD1 PHE 138 HD1 PHE 138 1.896 22.996 22.752 1108 HD2 PHE 138 HD2 PHE 138 -2.272 23.356 23.532 1109 HE1 PHE 138 HE1 PHE 138 1.662 20.555 22.607 1110 HE2 PHE 138 HE2 PHE 138 -2.511 20.914 23.391 1111 HZ PHE 138 HZ PHE 138 -0.543 19.511 22.926 Start of MODEL 5 1 H MET 1 H MET 1 2.821 0.643 -4.423 2 HA MET 1 HA MET 1 2.948 -1.666 -3.689 3 HB2 MET 1 HB2 MET 1 3.042 -1.198 -1.315 4 HB3 MET 1 HB3 MET 1 3.605 0.222 -2.185 5 HG2 MET 1 HG2 MET 1 1.468 1.306 -1.858 6 HG3 MET 1 HG3 MET 1 0.837 -0.132 -1.060 7 HE1 MET 1 HE1 MET 1 3.146 -0.229 2.155 8 HE2 MET 1 HE2 MET 1 3.484 -0.984 0.597 9 HE3 MET 1 HE3 MET 1 1.859 -1.059 1.280 10 H THR 2 H THR 2 1.924 -3.282 -2.216 11 HA THR 2 HA THR 2 -0.840 -3.653 -2.865 12 HB THR 2 HB THR 2 0.752 -5.223 -0.836 13 HG1 THR 2 HG1 THR 2 1.020 -6.614 -2.861 14 HG21 THR 2 HG21 THR 2 -0.750 -7.042 -1.492 15 HG22 THR 2 HG22 THR 2 -1.559 -5.969 -2.635 16 HG23 THR 2 HG23 THR 2 -1.661 -5.652 -0.902 17 H SER 3 H SER 3 -2.177 -2.191 -1.926 18 HA SER 3 HA SER 3 -2.378 -2.219 0.979 19 HB2 SER 3 HB2 SER 3 -1.890 0.300 -0.621 20 HB3 SER 3 HB3 SER 3 -2.476 0.292 1.041 21 HG SER 3 HG SER 3 -0.023 0.332 0.362 22 H SER 4 H SER 4 -4.461 -2.657 1.360 23 HA SER 4 HA SER 4 -6.570 -1.770 -0.368 24 HB2 SER 4 HB2 SER 4 -6.845 -2.683 2.509 25 HB3 SER 4 HB3 SER 4 -8.061 -2.753 1.232 26 HG SER 4 HG SER 4 -6.063 -4.092 0.276 27 H LEU 5 H LEU 5 -6.386 0.451 -0.548 28 HA LEU 5 HA LEU 5 -6.030 2.089 1.790 29 HB2 LEU 5 HB2 LEU 5 -5.265 2.465 -0.718 30 HB3 LEU 5 HB3 LEU 5 -6.838 3.226 -0.849 31 HG LEU 5 HG LEU 5 -4.744 4.029 1.172 32 HD11 LEU 5 HD11 LEU 5 -3.923 4.428 -1.073 33 HD12 LEU 5 HD12 LEU 5 -4.343 5.953 -0.294 34 HD13 LEU 5 HD13 LEU 5 -5.423 5.252 -1.498 35 HD21 LEU 5 HD21 LEU 5 -6.108 6.058 1.379 36 HD22 LEU 5 HD22 LEU 5 -7.013 4.614 1.832 37 HD23 LEU 5 HD23 LEU 5 -7.290 5.375 0.264 38 H THR 6 H THR 6 -7.660 2.210 3.128 39 HA THR 6 HA THR 6 -10.330 2.845 2.116 40 HB THR 6 HB THR 6 -11.208 1.225 3.909 41 HG1 THR 6 HG1 THR 6 -8.595 0.130 3.562 42 HG21 THR 6 HG21 THR 6 -11.089 -0.707 2.407 43 HG22 THR 6 HG22 THR 6 -9.804 0.082 1.490 44 HG23 THR 6 HG23 THR 6 -11.424 0.776 1.514 45 H ILE 7 H ILE 7 -11.796 3.383 4.058 46 HA ILE 7 HA ILE 7 -10.251 4.950 5.986 47 HB ILE 7 HB ILE 7 -12.450 5.961 6.620 48 HG12 ILE 7 HG12 ILE 7 -14.210 5.666 4.679 49 HG13 ILE 7 HG13 ILE 7 -13.418 4.110 4.470 50 HG21 ILE 7 HG21 ILE 7 -11.690 6.191 3.716 51 HG22 ILE 7 HG22 ILE 7 -10.946 7.059 5.058 52 HG23 ILE 7 HG23 ILE 7 -12.630 7.368 4.634 53 HD11 ILE 7 HD11 ILE 7 -14.708 5.102 7.001 54 HD12 ILE 7 HD12 ILE 7 -13.939 3.530 6.778 55 HD13 ILE 7 HD13 ILE 7 -15.398 3.935 5.872 56 H CYS 8 H CYS 8 -11.368 4.927 8.273 57 HA CYS 8 HA CYS 8 -11.460 2.069 8.942 58 HB2 CYS 8 HB2 CYS 8 -10.643 2.774 11.169 59 HB3 CYS 8 HB3 CYS 8 -9.553 3.256 9.871 60 HG CYS 8 HG CYS 8 -11.829 5.571 10.720 61 H SER 9 H SER 9 -13.011 1.231 10.269 62 HA SER 9 HA SER 9 -15.233 2.983 10.987 63 HB2 SER 9 HB2 SER 9 -16.279 0.743 11.692 64 HB3 SER 9 HB3 SER 9 -16.012 0.984 9.967 65 HG SER 9 HG SER 9 -15.217 -1.039 11.313 66 H ILE 10 H ILE 10 -15.933 3.147 13.166 67 HA ILE 10 HA ILE 10 -13.601 3.006 14.936 68 HB ILE 10 HB ILE 10 -16.079 4.703 15.262 69 HG12 ILE 10 HG12 ILE 10 -14.879 5.326 13.216 70 HG13 ILE 10 HG13 ILE 10 -14.710 6.572 14.445 71 HG21 ILE 10 HG21 ILE 10 -13.377 4.828 16.594 72 HG22 ILE 10 HG22 ILE 10 -14.880 4.281 17.339 73 HG23 ILE 10 HG23 ILE 10 -14.701 5.965 16.844 74 HD11 ILE 10 HD11 ILE 10 -12.634 4.506 13.751 75 HD12 ILE 10 HD12 ILE 10 -12.465 5.781 14.959 76 HD13 ILE 10 HD13 ILE 10 -12.624 6.197 13.251 77 HA PRO 11 HA PRO 11 -15.946 -0.069 17.297 78 HB2 PRO 11 HB2 PRO 11 -13.867 -0.698 18.925 79 HB3 PRO 11 HB3 PRO 11 -14.037 -1.375 17.301 80 HG2 PRO 11 HG2 PRO 11 -12.358 0.923 18.229 81 HG3 PRO 11 HG3 PRO 11 -11.921 -0.410 17.148 82 HD2 PRO 11 HD2 PRO 11 -12.591 2.033 16.217 83 HD3 PRO 11 HD3 PRO 11 -12.996 0.547 15.333 84 H ASP 12 H ASP 12 -17.107 0.342 19.104 85 HA ASP 12 HA ASP 12 -17.031 2.972 20.140 86 HB2 ASP 12 HB2 ASP 12 -19.074 1.540 19.923 87 HB3 ASP 12 HB3 ASP 12 -18.505 0.601 21.299 88 H GLY 13 H GLY 13 -15.750 -0.063 21.281 89 HA2 GLY 13 HA2 GLY 13 -15.385 0.523 23.992 90 HA3 GLY 13 HA3 GLY 13 -14.439 -0.632 23.069 91 H VAL 14 H VAL 14 -12.819 0.573 21.498 92 HA VAL 14 HA VAL 14 -11.020 1.890 23.263 93 HB VAL 14 HB VAL 14 -9.502 2.116 21.347 94 HG11 VAL 14 HG11 VAL 14 -9.194 -0.276 20.911 95 HG12 VAL 14 HG12 VAL 14 -10.788 -0.599 21.592 96 HG13 VAL 14 HG13 VAL 14 -9.508 0.052 22.615 97 HG21 VAL 14 HG21 VAL 14 -11.766 0.943 19.735 98 HG22 VAL 14 HG22 VAL 14 -10.117 1.192 19.161 99 HG23 VAL 14 HG23 VAL 14 -11.118 2.578 19.594 100 H LYS 15 H LYS 15 -13.354 2.983 20.959 101 HA LYS 15 HA LYS 15 -12.375 5.586 20.541 102 HB2 LYS 15 HB2 LYS 15 -14.046 4.710 19.073 103 HB3 LYS 15 HB3 LYS 15 -15.157 4.430 20.403 104 HG2 LYS 15 HG2 LYS 15 -14.271 7.217 19.962 105 HG3 LYS 15 HG3 LYS 15 -15.351 6.511 18.759 106 HD2 LYS 15 HD2 LYS 15 -15.880 6.571 21.730 107 HD3 LYS 15 HD3 LYS 15 -16.552 7.712 20.565 108 HE2 LYS 15 HE2 LYS 15 -17.571 5.780 19.367 109 HE3 LYS 15 HE3 LYS 15 -17.009 4.734 20.670 110 HZ1 LYS 15 HZ1 LYS 15 -18.981 6.942 20.856 111 HZ2 LYS 15 HZ2 LYS 15 -18.322 6.163 22.212 112 HZ3 LYS 15 HZ3 LYS 15 -19.254 5.281 21.104 113 H GLU 16 H GLU 16 -14.548 4.234 22.985 114 HA GLU 16 HA GLU 16 -15.156 6.726 24.197 115 HB2 GLU 16 HB2 GLU 16 -16.522 4.661 24.470 116 HB3 GLU 16 HB3 GLU 16 -15.234 3.979 25.456 117 HG2 GLU 16 HG2 GLU 16 -15.536 5.666 27.127 118 HG3 GLU 16 HG3 GLU 16 -16.688 6.530 26.111 119 H ASP 17 H ASP 17 -12.576 4.412 24.561 120 HA ASP 17 HA ASP 17 -11.512 5.425 26.989 121 HB2 ASP 17 HB2 ASP 17 -10.951 3.194 25.902 122 HB3 ASP 17 HB3 ASP 17 -9.929 4.094 24.784 123 H LEU 18 H LEU 18 -10.997 6.147 23.594 124 HA LEU 18 HA LEU 18 -8.945 8.060 23.914 125 HB2 LEU 18 HB2 LEU 18 -9.483 6.968 21.784 126 HB3 LEU 18 HB3 LEU 18 -11.033 7.780 21.749 127 HG LEU 18 HG LEU 18 -9.944 9.936 21.463 128 HD11 LEU 18 HD11 LEU 18 -7.361 8.380 21.562 129 HD12 LEU 18 HD12 LEU 18 -7.924 9.548 22.758 130 HD13 LEU 18 HD13 LEU 18 -7.518 10.081 21.127 131 HD21 LEU 18 HD21 LEU 18 -8.965 9.555 19.242 132 HD22 LEU 18 HD22 LEU 18 -10.463 8.652 19.472 133 HD23 LEU 18 HD23 LEU 18 -8.908 7.825 19.575 134 H LYS 19 H LYS 19 -12.391 8.191 24.340 135 HA LYS 19 HA LYS 19 -12.591 11.048 24.447 136 HB2 LYS 19 HB2 LYS 19 -14.364 8.763 25.018 137 HB3 LYS 19 HB3 LYS 19 -14.648 10.172 26.023 138 HG2 LYS 19 HG2 LYS 19 -16.119 10.391 24.225 139 HG3 LYS 19 HG3 LYS 19 -14.797 11.502 23.871 140 HD2 LYS 19 HD2 LYS 19 -14.693 8.726 22.786 141 HD3 LYS 19 HD3 LYS 19 -15.757 9.906 22.022 142 HE2 LYS 19 HE2 LYS 19 -13.867 11.398 21.662 143 HE3 LYS 19 HE3 LYS 19 -12.794 10.254 22.466 144 HZ1 LYS 19 HZ1 LYS 19 -14.352 9.663 20.008 145 HZ2 LYS 19 HZ2 LYS 19 -13.199 8.661 20.747 146 HZ3 LYS 19 HZ3 LYS 19 -12.714 10.116 20.030 147 H LYS 20 H LYS 20 -12.378 8.481 26.905 148 HA LYS 20 HA LYS 20 -12.467 10.220 29.116 149 HB2 LYS 20 HB2 LYS 20 -11.772 7.361 28.724 150 HB3 LYS 20 HB3 LYS 20 -11.230 8.124 30.213 151 HG2 LYS 20 HG2 LYS 20 -13.338 7.075 30.613 152 HG3 LYS 20 HG3 LYS 20 -13.569 8.822 30.648 153 HD2 LYS 20 HD2 LYS 20 -14.325 8.679 28.264 154 HD3 LYS 20 HD3 LYS 20 -14.277 6.922 28.420 155 HE2 LYS 20 HE2 LYS 20 -15.975 8.829 30.024 156 HE3 LYS 20 HE3 LYS 20 -16.534 7.736 28.761 157 HZ1 LYS 20 HZ1 LYS 20 -15.361 6.948 31.376 158 HZ2 LYS 20 HZ2 LYS 20 -15.805 5.864 30.150 159 HZ3 LYS 20 HZ3 LYS 20 -16.987 6.810 30.919 160 H PHE 21 H PHE 21 -9.856 9.388 27.019 161 HA PHE 21 HA PHE 21 -7.625 9.939 28.483 162 HB2 PHE 21 HB2 PHE 21 -7.463 9.175 26.230 163 HB3 PHE 21 HB3 PHE 21 -8.366 10.556 25.623 164 HD1 PHE 21 HD1 PHE 21 -5.574 10.610 28.039 165 HD2 PHE 21 HD2 PHE 21 -6.856 11.442 24.087 166 HE1 PHE 21 HE1 PHE 21 -3.507 11.785 27.611 167 HE2 PHE 21 HE2 PHE 21 -4.767 12.639 23.646 168 HZ PHE 21 HZ PHE 21 -3.074 12.815 25.419 169 H ARG 22 H ARG 22 -9.955 12.243 27.139 170 HA ARG 22 HA ARG 22 -8.271 14.461 28.006 171 HB2 ARG 22 HB2 ARG 22 -9.717 15.911 26.706 172 HB3 ARG 22 HB3 ARG 22 -9.175 14.565 25.717 173 HG2 ARG 22 HG2 ARG 22 -11.331 13.468 26.008 174 HG3 ARG 22 HG3 ARG 22 -11.874 14.797 27.033 175 HD2 ARG 22 HD2 ARG 22 -11.108 14.974 24.120 176 HD3 ARG 22 HD3 ARG 22 -12.740 15.055 24.779 177 HE ARG 22 HE ARG 22 -10.672 17.083 25.344 178 HH11 ARG 22 HH11 ARG 22 -13.956 16.198 24.504 179 HH12 ARG 22 HH12 ARG 22 -14.540 17.833 24.569 180 HH21 ARG 22 HH21 ARG 22 -11.444 19.237 25.395 181 HH22 ARG 22 HH22 ARG 22 -13.128 19.552 25.093 182 H PHE 23 H PHE 23 -11.223 12.819 28.793 183 HA PHE 23 HA PHE 23 -12.168 14.965 30.491 184 HB2 PHE 23 HB2 PHE 23 -13.212 12.166 30.025 185 HB3 PHE 23 HB3 PHE 23 -13.974 13.332 31.100 186 HD1 PHE 23 HD1 PHE 23 -14.085 11.969 27.921 187 HD2 PHE 23 HD2 PHE 23 -14.380 15.712 29.925 188 HE1 PHE 23 HE1 PHE 23 -15.348 12.883 26.020 189 HE2 PHE 23 HE2 PHE 23 -15.646 16.632 28.027 190 HZ PHE 23 HZ PHE 23 -16.131 15.217 26.071 191 H SER 24 H SER 24 -10.414 11.961 30.818 192 HA SER 24 HA SER 24 -10.273 12.444 33.717 193 HB2 SER 24 HB2 SER 24 -11.461 10.305 32.953 194 HB3 SER 24 HB3 SER 24 -9.873 9.743 32.431 195 HG SER 24 HG SER 24 -10.551 10.588 35.061 196 H LYS 25 H LYS 25 -8.507 13.752 33.520 197 HA LYS 25 HA LYS 25 -5.991 12.341 33.367 198 HB2 LYS 25 HB2 LYS 25 -5.080 14.367 31.974 199 HB3 LYS 25 HB3 LYS 25 -5.822 12.996 31.173 200 HG2 LYS 25 HG2 LYS 25 -6.699 14.858 30.082 201 HG3 LYS 25 HG3 LYS 25 -7.976 14.357 31.184 202 HD2 LYS 25 HD2 LYS 25 -6.040 16.405 32.133 203 HD3 LYS 25 HD3 LYS 25 -7.238 16.892 30.933 204 HE2 LYS 25 HE2 LYS 25 -7.820 15.626 33.611 205 HE3 LYS 25 HE3 LYS 25 -8.017 17.332 33.210 206 HZ1 LYS 25 HZ1 LYS 25 -9.691 16.723 31.582 207 HZ2 LYS 25 HZ2 LYS 25 -10.114 16.134 33.109 208 HZ3 LYS 25 HZ3 LYS 25 -9.487 15.085 31.942 209 H SER 26 H SER 26 -4.199 14.312 33.690 210 HA SER 26 HA SER 26 -5.209 15.894 35.958 211 HB2 SER 26 HB2 SER 26 -3.808 13.935 36.681 212 HB3 SER 26 HB3 SER 26 -2.460 14.626 35.778 213 HG SER 26 HG SER 26 -3.285 15.202 38.261 214 H THR 27 H THR 27 -3.258 17.565 36.501 215 HA THR 27 HA THR 27 -3.115 19.230 34.155 216 HB THR 27 HB THR 27 -1.841 20.759 35.807 217 HG1 THR 27 HG1 THR 27 -1.370 19.753 37.611 218 HG21 THR 27 HG21 THR 27 -4.172 21.125 35.147 219 HG22 THR 27 HG22 THR 27 -3.939 21.484 36.857 220 HG23 THR 27 HG23 THR 27 -4.707 19.973 36.372 221 H THR 28 H THR 28 -1.794 17.504 33.080 222 HA THR 28 HA THR 28 0.999 18.254 33.153 223 HB THR 28 HB THR 28 0.413 15.303 33.305 224 HG1 THR 28 HG1 THR 28 0.396 17.174 35.397 225 HG21 THR 28 HG21 THR 28 2.808 16.974 34.090 226 HG22 THR 28 HG22 THR 28 2.654 16.021 32.614 227 HG23 THR 28 HG23 THR 28 2.706 15.217 34.184 228 H MET 29 H MET 29 1.954 16.263 31.439 229 HA MET 29 HA MET 29 0.374 16.832 29.038 230 HB2 MET 29 HB2 MET 29 3.164 15.686 29.230 231 HB3 MET 29 HB3 MET 29 2.370 16.266 27.777 232 HG2 MET 29 HG2 MET 29 2.383 18.532 28.690 233 HG3 MET 29 HG3 MET 29 3.195 17.937 30.137 234 HE1 MET 29 HE1 MET 29 5.064 18.044 25.920 235 HE2 MET 29 HE2 MET 29 3.449 18.630 26.321 236 HE3 MET 29 HE3 MET 29 3.792 16.901 26.350 237 H ASN 30 H ASN 30 -0.891 15.289 28.275 238 HA ASN 30 HA ASN 30 -0.118 12.493 28.726 239 HB2 ASN 30 HB2 ASN 30 -2.719 12.135 28.584 240 HB3 ASN 30 HB3 ASN 30 -1.976 12.615 30.106 241 HD21 ASN 30 HD21 ASN 30 -2.294 14.683 30.885 242 HD22 ASN 30 HD22 ASN 30 -3.525 15.726 30.270 243 H ALA 31 H ALA 31 -0.854 11.026 27.032 244 HA ALA 31 HA ALA 31 -1.524 12.221 24.495 245 HB1 ALA 31 HB1 ALA 31 0.875 12.682 24.632 246 HB2 ALA 31 HB2 ALA 31 0.508 11.527 23.350 247 HB3 ALA 31 HB3 ALA 31 1.190 10.964 24.877 248 H LEU 32 H LEU 32 -2.348 10.779 23.085 249 HA LEU 32 HA LEU 32 -2.116 7.931 23.782 250 HB2 LEU 32 HB2 LEU 32 -4.379 8.986 24.280 251 HB3 LEU 32 HB3 LEU 32 -4.560 9.209 22.553 252 HG LEU 32 HG LEU 32 -4.098 6.477 23.737 253 HD11 LEU 32 HD11 LEU 32 -6.734 7.870 23.299 254 HD12 LEU 32 HD12 LEU 32 -6.045 7.396 24.851 255 HD13 LEU 32 HD13 LEU 32 -6.530 6.162 23.688 256 HD21 LEU 32 HD21 LEU 32 -3.788 6.709 21.324 257 HD22 LEU 32 HD22 LEU 32 -5.399 7.412 21.180 258 HD23 LEU 32 HD23 LEU 32 -5.211 5.735 21.694 259 H ILE 33 H ILE 33 -0.823 7.096 22.281 260 HA ILE 33 HA ILE 33 -0.899 8.038 19.538 261 HB ILE 33 HB ILE 33 0.609 5.686 20.711 262 HG12 ILE 33 HG12 ILE 33 1.501 8.523 20.143 263 HG13 ILE 33 HG13 ILE 33 1.365 7.767 21.725 264 HG21 ILE 33 HG21 ILE 33 1.958 5.829 18.653 265 HG22 ILE 33 HG22 ILE 33 0.879 7.087 18.050 266 HG23 ILE 33 HG23 ILE 33 0.267 5.456 18.321 267 HD11 ILE 33 HD11 ILE 33 3.294 6.999 19.550 268 HD12 ILE 33 HD12 ILE 33 3.152 6.208 21.121 269 HD13 ILE 33 HD13 ILE 33 3.673 7.891 21.024 270 H LEU 34 H LEU 34 -2.224 7.199 18.041 271 HA LEU 34 HA LEU 34 -3.473 4.619 18.678 272 HB2 LEU 34 HB2 LEU 34 -5.502 5.474 17.450 273 HB3 LEU 34 HB3 LEU 34 -5.187 6.178 19.022 274 HG LEU 34 HG LEU 34 -4.181 7.587 16.606 275 HD11 LEU 34 HD11 LEU 34 -6.500 7.043 16.053 276 HD12 LEU 34 HD12 LEU 34 -6.326 8.764 16.397 277 HD13 LEU 34 HD13 LEU 34 -7.028 7.689 17.606 278 HD21 LEU 34 HD21 LEU 34 -3.591 8.417 18.823 279 HD22 LEU 34 HD22 LEU 34 -5.300 8.524 19.244 280 HD23 LEU 34 HD23 LEU 34 -4.639 9.558 17.978 281 H LYS 35 H LYS 35 -4.523 3.649 16.653 282 HA LYS 35 HA LYS 35 -2.657 3.888 14.411 283 HB2 LYS 35 HB2 LYS 35 -1.462 2.326 15.607 284 HB3 LYS 35 HB3 LYS 35 -2.888 1.671 16.384 285 HG2 LYS 35 HG2 LYS 35 -2.371 -0.069 15.036 286 HG3 LYS 35 HG3 LYS 35 -3.396 0.841 13.927 287 HD2 LYS 35 HD2 LYS 35 -1.410 1.849 12.919 288 HD3 LYS 35 HD3 LYS 35 -0.384 0.949 14.041 289 HE2 LYS 35 HE2 LYS 35 -2.160 -0.150 11.875 290 HE3 LYS 35 HE3 LYS 35 -0.401 -0.241 11.974 291 HZ1 LYS 35 HZ1 LYS 35 -2.382 -1.633 13.698 292 HZ2 LYS 35 HZ2 LYS 35 -0.717 -1.591 14.035 293 HZ3 LYS 35 HZ3 LYS 35 -1.277 -2.340 12.620 294 H ILE 36 H ILE 36 -3.589 3.484 12.498 295 HA ILE 36 HA ILE 36 -6.313 2.399 12.434 296 HB ILE 36 HB ILE 36 -4.669 3.773 10.289 297 HG12 ILE 36 HG12 ILE 36 -7.286 4.710 11.446 298 HG13 ILE 36 HG13 ILE 36 -5.757 5.155 12.177 299 HG21 ILE 36 HG21 ILE 36 -7.493 2.724 10.116 300 HG22 ILE 36 HG22 ILE 36 -6.085 2.038 9.305 301 HG23 ILE 36 HG23 ILE 36 -6.655 3.650 8.872 302 HD11 ILE 36 HD11 ILE 36 -5.055 6.216 10.122 303 HD12 ILE 36 HD12 ILE 36 -6.584 6.883 10.694 304 HD13 ILE 36 HD13 ILE 36 -6.567 5.737 9.353 305 H ASP 37 H ASP 37 -6.443 0.266 12.175 306 HA ASP 37 HA ASP 37 -4.337 -1.144 10.718 307 HB2 ASP 37 HB2 ASP 37 -6.431 -1.958 12.675 308 HB3 ASP 37 HB3 ASP 37 -5.933 -3.149 11.478 309 H ARG 38 H ARG 38 -4.629 -0.998 8.596 310 HA ARG 38 HA ARG 38 -7.054 -0.487 7.308 311 HB2 ARG 38 HB2 ARG 38 -5.894 -0.946 5.230 312 HB3 ARG 38 HB3 ARG 38 -4.831 -0.055 6.311 313 HG2 ARG 38 HG2 ARG 38 -3.589 -2.023 6.836 314 HG3 ARG 38 HG3 ARG 38 -4.750 -3.045 5.989 315 HD2 ARG 38 HD2 ARG 38 -4.159 -1.753 3.898 316 HD3 ARG 38 HD3 ARG 38 -2.817 -1.061 4.813 317 HE ARG 38 HE ARG 38 -2.893 -3.937 4.923 318 HH11 ARG 38 HH11 ARG 38 -1.715 -1.167 3.148 319 HH12 ARG 38 HH12 ARG 38 -0.591 -2.083 2.198 320 HH21 ARG 38 HH21 ARG 38 -1.395 -5.147 3.697 321 HH22 ARG 38 HH22 ARG 38 -0.397 -4.347 2.524 322 H GLU 39 H GLU 39 -5.504 -3.529 8.109 323 HA GLU 39 HA GLU 39 -7.112 -5.049 6.281 324 HB2 GLU 39 HB2 GLU 39 -4.704 -5.519 7.087 325 HB3 GLU 39 HB3 GLU 39 -5.470 -6.205 8.513 326 HG2 GLU 39 HG2 GLU 39 -6.496 -7.914 7.271 327 HG3 GLU 39 HG3 GLU 39 -6.165 -7.105 5.738 328 H SER 40 H SER 40 -7.145 -4.307 9.705 329 HA SER 40 HA SER 40 -9.449 -5.995 10.190 330 HB2 SER 40 HB2 SER 40 -8.235 -3.915 12.022 331 HB3 SER 40 HB3 SER 40 -9.268 -5.272 12.476 332 HG SER 40 HG SER 40 -7.569 -6.672 11.733 333 H HIS 41 H HIS 41 -8.725 -2.860 9.136 334 HA HIS 41 HA HIS 41 -9.977 -1.187 8.283 335 HB2 HIS 41 HB2 HIS 41 -11.358 -3.180 7.474 336 HB3 HIS 41 HB3 HIS 41 -12.439 -2.845 8.821 337 HD1 HIS 41 HD1 HIS 41 -14.290 -1.282 8.332 338 HD2 HIS 41 HD2 HIS 41 -11.136 -0.848 5.657 339 HE1 HIS 41 HE1 HIS 41 -15.063 0.411 6.641 340 HE2 HIS 41 HE2 HIS 41 -13.066 0.802 5.157 341 H GLU 42 H GLU 42 -9.491 -1.572 11.230 342 HA GLU 42 HA GLU 42 -11.618 0.199 12.228 343 HB2 GLU 42 HB2 GLU 42 -11.407 -0.877 14.427 344 HB3 GLU 42 HB3 GLU 42 -11.909 -2.020 13.191 345 HG2 GLU 42 HG2 GLU 42 -9.571 -2.807 13.026 346 HG3 GLU 42 HG3 GLU 42 -9.142 -1.720 14.344 347 H LEU 43 H LEU 43 -11.024 1.839 13.617 348 HA LEU 43 HA LEU 43 -8.148 2.362 13.848 349 HB2 LEU 43 HB2 LEU 43 -9.669 4.136 12.940 350 HB3 LEU 43 HB3 LEU 43 -10.475 4.182 14.493 351 HG LEU 43 HG LEU 43 -7.527 4.725 14.312 352 HD11 LEU 43 HD11 LEU 43 -8.576 6.191 12.670 353 HD12 LEU 43 HD12 LEU 43 -8.031 7.107 14.076 354 HD13 LEU 43 HD13 LEU 43 -9.742 6.726 13.879 355 HD21 LEU 43 HD21 LEU 43 -8.009 6.103 16.292 356 HD22 LEU 43 HD22 LEU 43 -8.483 4.421 16.530 357 HD23 LEU 43 HD23 LEU 43 -9.709 5.641 16.188 358 H GLN 44 H GLN 44 -7.138 1.963 15.709 359 HA GLN 44 HA GLN 44 -8.750 1.755 18.157 360 HB2 GLN 44 HB2 GLN 44 -6.991 -0.169 18.677 361 HB3 GLN 44 HB3 GLN 44 -8.503 -0.494 17.843 362 HG2 GLN 44 HG2 GLN 44 -7.417 -0.532 15.727 363 HG3 GLN 44 HG3 GLN 44 -5.909 0.051 16.424 364 HE21 GLN 44 HE21 GLN 44 -4.841 -1.766 15.539 365 HE22 GLN 44 HE22 GLN 44 -4.975 -3.320 16.286 366 H SER 45 H SER 45 -7.530 1.956 20.129 367 HA SER 45 HA SER 45 -5.448 3.917 19.922 368 HB2 SER 45 HB2 SER 45 -5.490 3.612 22.493 369 HB3 SER 45 HB3 SER 45 -6.922 4.287 21.716 370 HG SER 45 HG SER 45 -6.987 2.347 23.325 371 H GLU 46 H GLU 46 -3.343 3.537 19.868 372 HA GLU 46 HA GLU 46 -2.378 0.821 20.048 373 HB2 GLU 46 HB2 GLU 46 -1.674 2.782 18.413 374 HB3 GLU 46 HB3 GLU 46 -0.576 3.192 19.721 375 HG2 GLU 46 HG2 GLU 46 -0.676 0.470 18.455 376 HG3 GLU 46 HG3 GLU 46 0.361 1.768 17.876 377 H GLN 47 H GLN 47 -1.880 3.926 21.731 378 HA GLN 47 HA GLN 47 -1.426 2.550 24.226 379 HB2 GLN 47 HB2 GLN 47 0.853 3.505 24.595 380 HB3 GLN 47 HB3 GLN 47 0.787 2.263 23.351 381 HG2 GLN 47 HG2 GLN 47 0.808 3.969 21.622 382 HG3 GLN 47 HG3 GLN 47 0.830 5.230 22.853 383 HE21 GLN 47 HE21 GLN 47 2.636 2.711 21.281 384 HE22 GLN 47 HE22 GLN 47 4.201 3.221 21.849 385 H LEU 48 H LEU 48 -1.465 3.904 26.034 386 HA LEU 48 HA LEU 48 -1.880 6.779 25.539 387 HB2 LEU 48 HB2 LEU 48 -4.043 5.447 25.862 388 HB3 LEU 48 HB3 LEU 48 -3.507 5.155 27.501 389 HG LEU 48 HG LEU 48 -3.961 7.928 26.387 390 HD11 LEU 48 HD11 LEU 48 -6.044 6.664 26.302 391 HD12 LEU 48 HD12 LEU 48 -6.098 7.895 27.564 392 HD13 LEU 48 HD13 LEU 48 -5.843 6.203 27.992 393 HD21 LEU 48 HD21 LEU 48 -4.096 8.555 28.754 394 HD22 LEU 48 HD22 LEU 48 -2.524 7.866 28.349 395 HD23 LEU 48 HD23 LEU 48 -3.716 6.894 29.211 396 H LEU 49 H LEU 49 -0.613 8.001 26.838 397 HA LEU 49 HA LEU 49 0.126 6.921 29.451 398 HB2 LEU 49 HB2 LEU 49 2.443 7.410 29.251 399 HB3 LEU 49 HB3 LEU 49 1.992 6.403 27.898 400 HG LEU 49 HG LEU 49 2.398 9.392 27.732 401 HD11 LEU 49 HD11 LEU 49 4.485 8.285 28.276 402 HD12 LEU 49 HD12 LEU 49 4.504 8.810 26.593 403 HD13 LEU 49 HD13 LEU 49 4.229 7.113 26.985 404 HD21 LEU 49 HD21 LEU 49 2.146 7.314 25.561 405 HD22 LEU 49 HD22 LEU 49 2.433 9.041 25.335 406 HD23 LEU 49 HD23 LEU 49 0.901 8.481 26.010 407 H ASN 50 H ASN 50 0.535 8.423 31.029 408 HA ASN 50 HA ASN 50 0.052 11.251 30.385 409 HB2 ASN 50 HB2 ASN 50 -2.084 10.323 31.153 410 HB3 ASN 50 HB3 ASN 50 -1.303 9.636 32.569 411 HD21 ASN 50 HD21 ASN 50 -2.395 10.681 34.122 412 HD22 ASN 50 HD22 ASN 50 -2.362 12.393 34.357 413 H ASP 51 H ASP 51 0.851 12.708 32.054 414 HA ASP 51 HA ASP 51 2.269 13.458 33.667 415 HB2 ASP 51 HB2 ASP 51 1.220 11.715 35.098 416 HB3 ASP 51 HB3 ASP 51 2.445 10.570 34.566 417 H CYS 52 H CYS 52 3.037 12.058 31.048 418 HA CYS 52 HA CYS 52 5.890 11.677 31.576 419 HB2 CYS 52 HB2 CYS 52 4.279 11.119 29.076 420 HB3 CYS 52 HB3 CYS 52 5.976 10.714 29.324 421 HG CYS 52 HG CYS 52 5.403 8.941 31.464 422 H SER 53 H SER 53 7.285 12.524 29.672 423 HA SER 53 HA SER 53 6.561 15.354 29.338 424 HB2 SER 53 HB2 SER 53 9.287 14.047 29.213 425 HB3 SER 53 HB3 SER 53 8.958 15.779 29.146 426 HG SER 53 HG SER 53 9.256 14.204 31.292 427 H ILE 54 H ILE 54 7.517 16.382 27.302 428 HA ILE 54 HA ILE 54 6.249 15.146 25.127 429 HB ILE 54 HB ILE 54 6.431 17.542 25.191 430 HG12 ILE 54 HG12 ILE 54 8.106 16.652 22.844 431 HG13 ILE 54 HG13 ILE 54 6.398 16.253 22.971 432 HG21 ILE 54 HG21 ILE 54 8.583 17.758 26.305 433 HG22 ILE 54 HG22 ILE 54 8.549 18.716 24.825 434 HG23 ILE 54 HG23 ILE 54 9.406 17.174 24.857 435 HD11 ILE 54 HD11 ILE 54 7.578 19.017 22.892 436 HD12 ILE 54 HD12 ILE 54 5.863 18.639 23.055 437 HD13 ILE 54 HD13 ILE 54 6.726 18.200 21.582 438 H GLU 55 H GLU 55 9.678 15.226 26.044 439 HA GLU 55 HA GLU 55 10.766 14.010 23.797 440 HB2 GLU 55 HB2 GLU 55 11.462 13.768 26.708 441 HB3 GLU 55 HB3 GLU 55 12.343 12.867 25.484 442 HG2 GLU 55 HG2 GLU 55 12.842 15.039 24.365 443 HG3 GLU 55 HG3 GLU 55 12.131 15.849 25.763 444 H GLU 56 H GLU 56 9.196 12.509 26.593 445 HA GLU 56 HA GLU 56 9.817 9.865 25.937 446 HB2 GLU 56 HB2 GLU 56 7.638 11.058 27.627 447 HB3 GLU 56 HB3 GLU 56 7.840 9.319 27.444 448 HG2 GLU 56 HG2 GLU 56 9.996 9.383 28.429 449 HG3 GLU 56 HG3 GLU 56 10.024 11.143 28.400 450 H PHE 57 H PHE 57 7.147 11.903 24.815 451 HA PHE 57 HA PHE 57 5.600 9.751 23.822 452 HB2 PHE 57 HB2 PHE 57 5.635 12.607 22.847 453 HB3 PHE 57 HB3 PHE 57 4.341 11.432 22.629 454 HD1 PHE 57 HD1 PHE 57 3.780 10.276 25.098 455 HD2 PHE 57 HD2 PHE 57 5.082 14.252 24.348 456 HE1 PHE 57 HE1 PHE 57 2.757 11.006 27.213 457 HE2 PHE 57 HE2 PHE 57 4.060 14.990 26.461 458 HZ PHE 57 HZ PHE 57 2.897 13.367 27.898 459 H LYS 58 H LYS 58 8.091 11.799 22.345 460 HA LYS 58 HA LYS 58 7.758 10.437 19.799 461 HB2 LYS 58 HB2 LYS 58 9.353 12.035 18.913 462 HB3 LYS 58 HB3 LYS 58 8.106 12.868 19.817 463 HG2 LYS 58 HG2 LYS 58 9.939 13.995 20.544 464 HG3 LYS 58 HG3 LYS 58 9.878 12.719 21.759 465 HD2 LYS 58 HD2 LYS 58 11.728 11.653 20.934 466 HD3 LYS 58 HD3 LYS 58 11.453 12.211 19.284 467 HE2 LYS 58 HE2 LYS 58 13.453 13.228 20.309 468 HE3 LYS 58 HE3 LYS 58 12.241 14.425 19.863 469 HZ1 LYS 58 HZ1 LYS 58 13.057 13.515 22.539 470 HZ2 LYS 58 HZ2 LYS 58 11.505 14.144 22.302 471 HZ3 LYS 58 HZ3 LYS 58 12.857 15.101 21.958 472 H GLU 59 H GLU 59 9.847 10.372 22.543 473 HA GLU 59 HA GLU 59 11.890 8.822 21.149 474 HB2 GLU 59 HB2 GLU 59 12.472 10.708 22.708 475 HB3 GLU 59 HB3 GLU 59 11.820 9.750 24.026 476 HG2 GLU 59 HG2 GLU 59 13.513 8.017 23.552 477 HG3 GLU 59 HG3 GLU 59 14.198 9.070 22.314 478 H GLU 60 H GLU 60 9.006 8.154 22.472 479 HA GLU 60 HA GLU 60 9.466 6.059 24.283 480 HB2 GLU 60 HB2 GLU 60 7.240 7.318 23.338 481 HB3 GLU 60 HB3 GLU 60 7.126 5.781 22.495 482 HG2 GLU 60 HG2 GLU 60 7.435 6.047 25.474 483 HG3 GLU 60 HG3 GLU 60 5.887 5.892 24.650 484 H LEU 61 H LEU 61 8.704 5.964 20.807 485 HA LEU 61 HA LEU 61 10.454 3.700 20.446 486 HB2 LEU 61 HB2 LEU 61 8.859 2.123 19.665 487 HB3 LEU 61 HB3 LEU 61 8.309 2.674 21.232 488 HG LEU 61 HG LEU 61 7.202 3.723 18.628 489 HD11 LEU 61 HD11 LEU 61 5.300 2.236 19.015 490 HD12 LEU 61 HD12 LEU 61 6.133 1.533 20.402 491 HD13 LEU 61 HD13 LEU 61 6.794 1.329 18.779 492 HD21 LEU 61 HD21 LEU 61 6.190 3.861 21.467 493 HD22 LEU 61 HD22 LEU 61 5.330 4.447 20.043 494 HD23 LEU 61 HD23 LEU 61 6.851 5.200 20.526 495 HA PRO 62 HA PRO 62 10.683 5.636 16.428 496 HB2 PRO 62 HB2 PRO 62 12.019 3.192 15.532 497 HB3 PRO 62 HB3 PRO 62 12.673 4.825 15.682 498 HG2 PRO 62 HG2 PRO 62 13.419 2.805 17.319 499 HG3 PRO 62 HG3 PRO 62 13.355 4.494 17.854 500 HD2 PRO 62 HD2 PRO 62 11.386 2.283 18.316 501 HD3 PRO 62 HD3 PRO 62 11.960 3.534 19.440 502 H SER 63 H SER 63 8.693 5.629 15.520 503 HA SER 63 HA SER 63 7.096 3.332 15.201 504 HB2 SER 63 HB2 SER 63 5.623 4.825 13.870 505 HB3 SER 63 HB3 SER 63 6.105 5.543 15.407 506 HG SER 63 HG SER 63 6.268 6.799 13.282 507 H GLN 64 H GLN 64 9.147 5.133 12.975 508 HA GLN 64 HA GLN 64 9.545 4.971 10.750 509 HB2 GLN 64 HB2 GLN 64 10.472 2.732 10.068 510 HB3 GLN 64 HB3 GLN 64 11.214 3.477 11.469 511 HG2 GLN 64 HG2 GLN 64 9.724 1.985 12.872 512 HG3 GLN 64 HG3 GLN 64 9.362 1.122 11.377 513 HE21 GLN 64 HE21 GLN 64 10.337 -0.760 12.183 514 HE22 GLN 64 HE22 GLN 64 12.055 -0.914 12.308 515 H GLN 65 H GLN 65 6.851 4.945 11.312 516 HA GLN 65 HA GLN 65 5.818 4.109 8.795 517 HB2 GLN 65 HB2 GLN 65 4.053 2.624 9.623 518 HB3 GLN 65 HB3 GLN 65 5.635 1.956 10.001 519 HG2 GLN 65 HG2 GLN 65 5.440 2.566 12.285 520 HG3 GLN 65 HG3 GLN 65 4.005 3.540 11.967 521 HE21 GLN 65 HE21 GLN 65 4.502 0.432 10.480 522 HE22 GLN 65 HE22 GLN 65 3.266 -0.405 11.352 523 HA PRO 66 HA PRO 66 3.149 7.511 9.720 524 HB2 PRO 66 HB2 PRO 66 0.801 6.150 8.582 525 HB3 PRO 66 HB3 PRO 66 1.646 7.592 8.011 526 HG2 PRO 66 HG2 PRO 66 1.799 5.243 6.705 527 HG3 PRO 66 HG3 PRO 66 3.161 6.376 6.768 528 HD2 PRO 66 HD2 PRO 66 2.704 3.873 8.350 529 HD3 PRO 66 HD3 PRO 66 4.199 4.478 7.606 530 H ARG 67 H ARG 67 3.071 7.385 11.952 531 HA ARG 67 HA ARG 67 0.578 6.249 13.051 532 HB2 ARG 67 HB2 ARG 67 3.320 6.505 14.258 533 HB3 ARG 67 HB3 ARG 67 1.900 6.452 15.282 534 HG2 ARG 67 HG2 ARG 67 1.331 4.250 14.314 535 HG3 ARG 67 HG3 ARG 67 2.839 4.308 13.391 536 HD2 ARG 67 HD2 ARG 67 4.139 4.392 15.402 537 HD3 ARG 67 HD3 ARG 67 2.690 4.559 16.388 538 HE ARG 67 HE ARG 67 3.019 2.115 14.808 539 HH11 ARG 67 HH11 ARG 67 2.991 3.736 17.904 540 HH12 ARG 67 HH12 ARG 67 2.936 2.273 18.837 541 HH21 ARG 67 HH21 ARG 67 3.017 0.153 16.037 542 HH22 ARG 67 HH22 ARG 67 3.029 0.241 17.776 543 H PHE 68 H PHE 68 -0.487 7.572 14.678 544 HA PHE 68 HA PHE 68 0.589 10.293 14.805 545 HB2 PHE 68 HB2 PHE 68 -1.961 10.966 14.989 546 HB3 PHE 68 HB3 PHE 68 -1.123 10.880 13.451 547 HD1 PHE 68 HD1 PHE 68 -1.408 8.790 12.049 548 HD2 PHE 68 HD2 PHE 68 -3.874 9.704 15.394 549 HE1 PHE 68 HE1 PHE 68 -3.138 7.274 11.184 550 HE2 PHE 68 HE2 PHE 68 -5.603 8.186 14.532 551 HZ PHE 68 HZ PHE 68 -5.237 6.968 12.429 552 H ILE 69 H ILE 69 0.656 11.230 16.661 553 HA ILE 69 HA ILE 69 -0.432 9.770 18.966 554 HB ILE 69 HB ILE 69 1.933 9.707 19.091 555 HG12 ILE 69 HG12 ILE 69 0.519 10.711 21.129 556 HG13 ILE 69 HG13 ILE 69 2.259 10.476 21.218 557 HG21 ILE 69 HG21 ILE 69 1.952 12.656 18.490 558 HG22 ILE 69 HG22 ILE 69 2.484 11.350 17.430 559 HG23 ILE 69 HG23 ILE 69 3.370 11.697 18.915 560 HD11 ILE 69 HD11 ILE 69 0.843 13.060 20.603 561 HD12 ILE 69 HD12 ILE 69 2.591 12.838 20.654 562 HD13 ILE 69 HD13 ILE 69 1.633 12.630 22.121 563 H LEU 70 H LEU 70 -2.081 10.724 19.900 564 HA LEU 70 HA LEU 70 -2.539 13.569 19.465 565 HB2 LEU 70 HB2 LEU 70 -4.326 11.744 19.218 566 HB3 LEU 70 HB3 LEU 70 -4.318 11.652 20.967 567 HG LEU 70 HG LEU 70 -4.865 14.243 19.533 568 HD11 LEU 70 HD11 LEU 70 -6.459 12.588 18.705 569 HD12 LEU 70 HD12 LEU 70 -7.246 13.767 19.755 570 HD13 LEU 70 HD13 LEU 70 -6.874 12.153 20.362 571 HD21 LEU 70 HD21 LEU 70 -4.340 14.401 21.904 572 HD22 LEU 70 HD22 LEU 70 -5.581 13.204 22.273 573 HD23 LEU 70 HD23 LEU 70 -6.040 14.776 21.621 574 H LEU 71 H LEU 71 -1.401 14.806 20.794 575 HA LEU 71 HA LEU 71 -1.100 14.008 23.598 576 HB2 LEU 71 HB2 LEU 71 1.002 14.496 22.511 577 HB3 LEU 71 HB3 LEU 71 0.390 16.018 21.899 578 HG LEU 71 HG LEU 71 0.656 15.573 24.859 579 HD11 LEU 71 HD11 LEU 71 2.819 16.512 22.978 580 HD12 LEU 71 HD12 LEU 71 2.804 14.976 23.844 581 HD13 LEU 71 HD13 LEU 71 2.909 16.492 24.739 582 HD21 LEU 71 HD21 LEU 71 0.842 18.028 23.106 583 HD22 LEU 71 HD22 LEU 71 0.975 18.000 24.865 584 HD23 LEU 71 HD23 LEU 71 -0.549 17.566 24.089 585 H SER 72 H SER 72 -2.067 15.088 25.187 586 HA SER 72 HA SER 72 -3.540 17.529 24.468 587 HB2 SER 72 HB2 SER 72 -5.015 15.647 25.069 588 HB3 SER 72 HB3 SER 72 -4.185 15.493 26.616 589 HG SER 72 HG SER 72 -5.171 17.232 27.342 590 H TRP 73 H TRP 73 -2.646 19.278 25.264 591 HA TRP 73 HA TRP 73 -1.054 19.052 27.729 592 HB2 TRP 73 HB2 TRP 73 0.350 19.779 25.936 593 HB3 TRP 73 HB3 TRP 73 -0.841 20.950 25.389 594 HD1 TRP 73 HD1 TRP 73 0.113 23.269 25.787 595 HE1 TRP 73 HE1 TRP 73 1.341 24.473 27.699 596 HE3 TRP 73 HE3 TRP 73 0.593 19.358 29.047 597 HZ2 TRP 73 HZ2 TRP 73 2.369 23.858 30.246 598 HZ3 TRP 73 HZ3 TRP 73 1.711 19.756 31.201 599 HH2 TRP 73 HH2 TRP 73 2.581 21.961 31.789 600 H CYS 74 H CYS 74 -1.805 20.001 29.490 601 HA CYS 74 HA CYS 74 -4.221 21.489 29.473 602 HB2 CYS 74 HB2 CYS 74 -3.676 21.918 31.888 603 HB3 CYS 74 HB3 CYS 74 -3.674 20.217 31.436 604 HG CYS 74 HG CYS 74 -0.769 21.996 31.534 605 H LYS 75 H LYS 75 -4.144 23.288 28.274 606 HA LYS 75 HA LYS 75 -2.198 25.369 29.021 607 HB2 LYS 75 HB2 LYS 75 -1.715 24.207 26.804 608 HB3 LYS 75 HB3 LYS 75 -3.228 24.871 26.216 609 HG2 LYS 75 HG2 LYS 75 -1.040 26.626 27.282 610 HG3 LYS 75 HG3 LYS 75 -1.074 26.084 25.606 611 HD2 LYS 75 HD2 LYS 75 -3.278 27.623 26.981 612 HD3 LYS 75 HD3 LYS 75 -2.061 28.330 25.921 613 HE2 LYS 75 HE2 LYS 75 -4.017 26.183 25.103 614 HE3 LYS 75 HE3 LYS 75 -4.235 27.906 24.804 615 HZ1 LYS 75 HZ1 LYS 75 -2.160 27.869 23.505 616 HZ2 LYS 75 HZ2 LYS 75 -3.350 26.854 22.854 617 HZ3 LYS 75 HZ3 LYS 75 -2.058 26.189 23.719 618 H LYS 76 H LYS 76 -3.329 26.956 29.957 619 HA LYS 76 HA LYS 76 -6.165 27.137 29.545 620 HB2 LYS 76 HB2 LYS 76 -6.118 28.873 31.257 621 HB3 LYS 76 HB3 LYS 76 -5.228 27.453 31.777 622 HG2 LYS 76 HG2 LYS 76 -3.139 28.616 31.129 623 HG3 LYS 76 HG3 LYS 76 -4.092 30.062 30.815 624 HD2 LYS 76 HD2 LYS 76 -3.630 28.644 33.425 625 HD3 LYS 76 HD3 LYS 76 -3.229 30.306 33.001 626 HE2 LYS 76 HE2 LYS 76 -5.821 30.511 32.657 627 HE3 LYS 76 HE3 LYS 76 -5.862 29.102 33.711 628 HZ1 LYS 76 HZ1 LYS 76 -4.824 31.804 34.322 629 HZ2 LYS 76 HZ2 LYS 76 -4.397 30.456 35.257 630 HZ3 LYS 76 HZ3 LYS 76 -6.023 30.930 35.143 631 H HIS 77 H HIS 77 -7.166 28.313 28.104 632 HA HIS 77 HA HIS 77 -5.798 30.057 26.314 633 HB2 HIS 77 HB2 HIS 77 -7.931 28.649 25.906 634 HB3 HIS 77 HB3 HIS 77 -8.791 29.948 26.717 635 HD1 HIS 77 HD1 HIS 77 -6.964 29.137 23.538 636 HD2 HIS 77 HD2 HIS 77 -9.164 32.264 25.193 637 HE1 HIS 77 HE1 HIS 77 -7.423 30.726 21.645 638 HE2 HIS 77 HE2 HIS 77 -8.826 32.568 22.642 639 H SER 78 H SER 78 -6.659 32.367 25.978 640 HA SER 78 HA SER 78 -6.033 33.919 28.207 641 HB2 SER 78 HB2 SER 78 -7.587 34.831 25.788 642 HB3 SER 78 HB3 SER 78 -6.546 35.804 26.823 643 HG SER 78 HG SER 78 -4.792 34.447 26.125 644 H ASP 79 H ASP 79 -8.808 32.208 27.851 645 HA ASP 79 HA ASP 79 -10.692 34.146 28.859 646 HB2 ASP 79 HB2 ASP 79 -11.001 31.141 28.720 647 HB3 ASP 79 HB3 ASP 79 -12.286 32.339 28.854 648 H GLU 80 H GLU 80 -8.139 32.836 30.218 649 HA GLU 80 HA GLU 80 -7.372 32.953 32.334 650 HB2 GLU 80 HB2 GLU 80 -10.187 33.781 33.016 651 HB3 GLU 80 HB3 GLU 80 -8.872 33.718 34.181 652 HG2 GLU 80 HG2 GLU 80 -7.626 35.336 32.769 653 HG3 GLU 80 HG3 GLU 80 -9.056 35.473 31.746 654 H ARG 81 H ARG 81 -9.558 30.700 31.284 655 HA ARG 81 HA ARG 81 -9.211 29.164 33.763 656 HB2 ARG 81 HB2 ARG 81 -11.295 28.297 33.588 657 HB3 ARG 81 HB3 ARG 81 -11.603 29.663 32.532 658 HG2 ARG 81 HG2 ARG 81 -10.627 27.028 31.480 659 HG3 ARG 81 HG3 ARG 81 -12.338 27.362 31.738 660 HD2 ARG 81 HD2 ARG 81 -12.323 29.115 30.138 661 HD3 ARG 81 HD3 ARG 81 -10.561 29.109 30.051 662 HE ARG 81 HE ARG 81 -11.105 26.641 29.242 663 HH11 ARG 81 HH11 ARG 81 -12.735 29.606 28.387 664 HH12 ARG 81 HH12 ARG 81 -13.005 29.136 26.738 665 HH21 ARG 81 HH21 ARG 81 -11.477 25.986 27.088 666 HH22 ARG 81 HH22 ARG 81 -12.306 27.061 26.000 667 H ILE 82 H ILE 82 -8.678 26.887 33.516 668 HA ILE 82 HA ILE 82 -6.639 26.734 31.501 669 HB ILE 82 HB ILE 82 -6.273 25.936 33.840 670 HG12 ILE 82 HG12 ILE 82 -5.825 23.995 31.580 671 HG13 ILE 82 HG13 ILE 82 -4.791 25.340 32.020 672 HG21 ILE 82 HG21 ILE 82 -7.029 23.687 34.445 673 HG22 ILE 82 HG22 ILE 82 -8.000 23.624 32.973 674 HG23 ILE 82 HG23 ILE 82 -8.380 24.801 34.230 675 HD11 ILE 82 HD11 ILE 82 -5.331 22.929 33.729 676 HD12 ILE 82 HD12 ILE 82 -4.267 24.277 34.135 677 HD13 ILE 82 HD13 ILE 82 -3.875 23.220 32.778 678 H SER 83 H SER 83 -6.658 25.632 29.678 679 HA SER 83 HA SER 83 -9.214 24.373 28.967 680 HB2 SER 83 HB2 SER 83 -7.231 25.686 27.103 681 HB3 SER 83 HB3 SER 83 -8.896 25.224 26.752 682 HG SER 83 HG SER 83 -8.832 26.852 28.889 683 H TYR 84 H TYR 84 -9.082 22.692 27.295 684 HA TYR 84 HA TYR 84 -6.495 21.297 27.307 685 HB2 TYR 84 HB2 TYR 84 -9.248 20.044 27.306 686 HB3 TYR 84 HB3 TYR 84 -7.729 19.163 27.189 687 HD1 TYR 84 HD1 TYR 84 -6.021 19.730 29.167 688 HD2 TYR 84 HD2 TYR 84 -10.245 20.175 29.377 689 HE1 TYR 84 HE1 TYR 84 -5.909 19.582 31.617 690 HE2 TYR 84 HE2 TYR 84 -10.143 20.036 31.828 691 HH TYR 84 HH TYR 84 -7.298 20.325 33.573 692 HA PRO 85 HA PRO 85 -7.372 21.717 22.881 693 HB2 PRO 85 HB2 PRO 85 -4.755 22.639 22.412 694 HB3 PRO 85 HB3 PRO 85 -6.216 23.625 22.477 695 HG2 PRO 85 HG2 PRO 85 -4.066 23.696 24.292 696 HG3 PRO 85 HG3 PRO 85 -5.648 24.465 24.497 697 HD2 PRO 85 HD2 PRO 85 -4.623 21.907 25.620 698 HD3 PRO 85 HD3 PRO 85 -5.786 23.061 26.307 699 H MET 86 H MET 86 -7.293 19.688 22.107 700 HA MET 86 HA MET 86 -4.858 18.111 22.553 701 HB2 MET 86 HB2 MET 86 -7.456 17.125 21.386 702 HB3 MET 86 HB3 MET 86 -6.140 16.164 22.030 703 HG2 MET 86 HG2 MET 86 -7.670 16.016 23.717 704 HG3 MET 86 HG3 MET 86 -6.705 17.387 24.259 705 HE1 MET 86 HE1 MET 86 -10.040 16.319 22.409 706 HE2 MET 86 HE2 MET 86 -9.273 17.450 21.293 707 HE3 MET 86 HE3 MET 86 -10.765 17.900 22.116 708 H LEU 87 H LEU 87 -3.536 17.572 20.900 709 HA LEU 87 HA LEU 87 -4.595 17.853 18.200 710 HB2 LEU 87 HB2 LEU 87 -2.318 18.651 17.451 711 HB3 LEU 87 HB3 LEU 87 -3.318 19.791 18.310 712 HG LEU 87 HG LEU 87 -0.961 20.013 18.884 713 HD11 LEU 87 HD11 LEU 87 -2.575 20.660 20.558 714 HD12 LEU 87 HD12 LEU 87 -1.139 19.970 21.317 715 HD13 LEU 87 HD13 LEU 87 -2.614 19.013 21.188 716 HD21 LEU 87 HD21 LEU 87 -0.223 17.749 18.558 717 HD22 LEU 87 HD22 LEU 87 -1.179 17.210 19.938 718 HD23 LEU 87 HD23 LEU 87 0.190 18.295 20.184 719 H LEU 88 H LEU 88 -3.827 16.413 16.659 720 HA LEU 88 HA LEU 88 -2.324 14.167 17.814 721 HB2 LEU 88 HB2 LEU 88 -3.405 12.647 16.301 722 HB3 LEU 88 HB3 LEU 88 -4.626 13.537 17.180 723 HG LEU 88 HG LEU 88 -3.812 14.329 14.394 724 HD11 LEU 88 HD11 LEU 88 -5.942 12.355 15.209 725 HD12 LEU 88 HD12 LEU 88 -4.477 11.996 14.292 726 HD13 LEU 88 HD13 LEU 88 -5.729 13.021 13.588 727 HD21 LEU 88 HD21 LEU 88 -6.050 15.301 14.355 728 HD22 LEU 88 HD22 LEU 88 -5.093 15.956 15.683 729 HD23 LEU 88 HD23 LEU 88 -6.329 14.739 16.003 730 H ILE 89 H ILE 89 -0.341 14.094 17.164 731 HA ILE 89 HA ILE 89 0.368 15.402 14.645 732 HB ILE 89 HB ILE 89 2.149 14.454 16.884 733 HG12 ILE 89 HG12 ILE 89 1.295 17.255 16.154 734 HG13 ILE 89 HG13 ILE 89 0.603 16.319 17.475 735 HG21 ILE 89 HG21 ILE 89 2.774 16.154 14.478 736 HG22 ILE 89 HG22 ILE 89 3.298 14.490 14.734 737 HG23 ILE 89 HG23 ILE 89 3.891 15.773 15.789 738 HD11 ILE 89 HD11 ILE 89 2.243 17.902 18.299 739 HD12 ILE 89 HD12 ILE 89 3.472 17.213 17.240 740 HD13 ILE 89 HD13 ILE 89 2.803 16.250 18.557 741 H TYR 90 H TYR 90 0.333 14.101 12.952 742 HA TYR 90 HA TYR 90 1.173 11.330 13.309 743 HB2 TYR 90 HB2 TYR 90 0.214 10.863 11.122 744 HB3 TYR 90 HB3 TYR 90 -0.969 11.643 12.154 745 HD1 TYR 90 HD1 TYR 90 0.693 11.696 9.003 746 HD2 TYR 90 HD2 TYR 90 -1.398 14.148 11.784 747 HE1 TYR 90 HE1 TYR 90 0.229 13.317 7.215 748 HE2 TYR 90 HE2 TYR 90 -1.862 15.780 10.003 749 HH TYR 90 HH TYR 90 -0.860 16.449 7.799 750 H TYR 91 H TYR 91 3.109 10.743 12.821 751 HA TYR 91 HA TYR 91 4.708 12.508 11.104 752 HB2 TYR 91 HB2 TYR 91 6.673 11.811 12.534 753 HB3 TYR 91 HB3 TYR 91 5.492 12.841 13.331 754 HD1 TYR 91 HD1 TYR 91 7.314 9.782 13.493 755 HD2 TYR 91 HD2 TYR 91 3.758 11.683 14.846 756 HE1 TYR 91 HE1 TYR 91 7.140 8.147 15.322 757 HE2 TYR 91 HE2 TYR 91 3.570 10.052 16.672 758 HH TYR 91 HH TYR 91 6.067 8.039 17.613 759 H CYS 92 H CYS 92 5.718 11.601 9.457 760 HA CYS 92 HA CYS 92 5.773 8.665 9.338 761 HB2 CYS 92 HB2 CYS 92 5.412 8.962 6.847 762 HB3 CYS 92 HB3 CYS 92 4.033 9.349 7.870 763 HG CYS 92 HG CYS 92 6.138 11.603 6.394 764 HA PRO 93 HA PRO 93 10.055 9.976 8.524 765 HB2 PRO 93 HB2 PRO 93 11.267 8.350 10.242 766 HB3 PRO 93 HB3 PRO 93 10.414 9.788 10.811 767 HG2 PRO 93 HG2 PRO 93 9.571 6.929 10.892 768 HG3 PRO 93 HG3 PRO 93 9.295 8.214 12.079 769 HD2 PRO 93 HD2 PRO 93 7.470 7.328 10.138 770 HD3 PRO 93 HD3 PRO 93 7.349 8.825 11.083 771 H ASN 94 H ASN 94 12.003 7.986 8.690 772 HA ASN 94 HA ASN 94 11.830 6.717 6.210 773 HB2 ASN 94 HB2 ASN 94 13.978 7.136 7.221 774 HB3 ASN 94 HB3 ASN 94 13.578 6.132 8.610 775 HD21 ASN 94 HD21 ASN 94 15.325 4.793 8.337 776 HD22 ASN 94 HD22 ASN 94 15.439 3.650 7.043 777 H GLY 95 H GLY 95 10.535 5.116 5.614 778 HA2 GLY 95 HA2 GLY 95 10.181 2.683 5.881 779 HA3 GLY 95 HA3 GLY 95 9.940 2.999 7.593 780 H SER 96 H SER 96 8.558 5.563 6.211 781 HA SER 96 HA SER 96 5.916 4.421 6.531 782 HB2 SER 96 HB2 SER 96 6.708 7.261 5.855 783 HB3 SER 96 HB3 SER 96 5.134 6.711 6.433 784 HG SER 96 HG SER 96 7.587 6.858 7.816 785 H SER 97 H SER 97 4.885 3.532 4.899 786 HA SER 97 HA SER 97 5.755 3.902 2.191 787 HB2 SER 97 HB2 SER 97 3.377 2.339 3.203 788 HB3 SER 97 HB3 SER 97 4.237 2.113 1.678 789 HG SER 97 HG SER 97 6.075 1.480 2.886 790 HA PRO 98 HA PRO 98 3.264 7.260 0.935 791 HB2 PRO 98 HB2 PRO 98 2.508 6.313 -1.578 792 HB3 PRO 98 HB3 PRO 98 3.990 7.194 -1.204 793 HG2 PRO 98 HG2 PRO 98 3.549 4.263 -1.510 794 HG3 PRO 98 HG3 PRO 98 4.944 5.247 -1.986 795 HD2 PRO 98 HD2 PRO 98 5.016 3.686 0.189 796 HD3 PRO 98 HD3 PRO 98 5.817 5.272 0.165 797 H GLU 99 H GLU 99 1.749 4.165 -0.083 798 HA GLU 99 HA GLU 99 -0.849 5.335 -0.067 799 HB2 GLU 99 HB2 GLU 99 0.069 2.479 -0.298 800 HB3 GLU 99 HB3 GLU 99 -1.625 2.944 -0.350 801 HG2 GLU 99 HG2 GLU 99 -1.196 4.338 -2.300 802 HG3 GLU 99 HG3 GLU 99 0.511 3.908 -2.241 803 H LEU 100 H LEU 100 1.100 3.905 2.385 804 HA LEU 100 HA LEU 100 -1.123 3.399 4.151 805 HB2 LEU 100 HB2 LEU 100 1.812 3.651 4.800 806 HB3 LEU 100 HB3 LEU 100 0.571 3.098 5.901 807 HG LEU 100 HG LEU 100 1.444 1.689 3.378 808 HD11 LEU 100 HD11 LEU 100 3.083 1.553 5.179 809 HD12 LEU 100 HD12 LEU 100 2.308 -0.006 4.904 810 HD13 LEU 100 HD13 LEU 100 1.832 0.984 6.284 811 HD21 LEU 100 HD21 LEU 100 -0.027 -0.127 4.161 812 HD22 LEU 100 HD22 LEU 100 -0.921 1.343 3.774 813 HD23 LEU 100 HD23 LEU 100 -0.605 0.923 5.457 814 H GLN 101 H GLN 101 1.191 5.986 3.553 815 HA GLN 101 HA GLN 101 0.424 7.724 5.615 816 HB2 GLN 101 HB2 GLN 101 1.277 8.376 2.785 817 HB3 GLN 101 HB3 GLN 101 1.169 9.544 4.094 818 HG2 GLN 101 HG2 GLN 101 2.919 8.437 5.304 819 HG3 GLN 101 HG3 GLN 101 2.959 7.128 4.123 820 HE21 GLN 101 HE21 GLN 101 5.123 7.468 3.620 821 HE22 GLN 101 HE22 GLN 101 5.660 8.844 2.727 822 H MET 102 H MET 102 -0.867 7.236 2.368 823 HA MET 102 HA MET 102 -2.992 9.046 2.436 824 HB2 MET 102 HB2 MET 102 -2.701 6.374 1.057 825 HB3 MET 102 HB3 MET 102 -4.049 7.461 0.771 826 HG2 MET 102 HG2 MET 102 -1.157 8.148 0.302 827 HG3 MET 102 HG3 MET 102 -2.286 7.610 -0.941 828 HE1 MET 102 HE1 MET 102 -4.422 8.987 -1.693 829 HE2 MET 102 HE2 MET 102 -4.887 10.535 -0.985 830 HE3 MET 102 HE3 MET 102 -4.970 9.061 -0.019 831 H LEU 103 H LEU 103 -2.777 5.714 3.541 832 HA LEU 103 HA LEU 103 -5.420 5.281 4.313 833 HB2 LEU 103 HB2 LEU 103 -3.945 3.443 4.202 834 HB3 LEU 103 HB3 LEU 103 -2.781 4.205 5.264 835 HG LEU 103 HG LEU 103 -4.363 3.916 7.151 836 HD11 LEU 103 HD11 LEU 103 -5.954 2.295 5.166 837 HD12 LEU 103 HD12 LEU 103 -6.442 3.845 5.850 838 HD13 LEU 103 HD13 LEU 103 -6.276 2.434 6.895 839 HD21 LEU 103 HD21 LEU 103 -3.639 1.392 5.675 840 HD22 LEU 103 HD22 LEU 103 -4.011 1.520 7.394 841 HD23 LEU 103 HD23 LEU 103 -2.577 2.311 6.741 842 H TYR 104 H TYR 104 -2.686 6.415 6.314 843 HA TYR 104 HA TYR 104 -4.370 6.712 8.614 844 HB2 TYR 104 HB2 TYR 104 -1.491 7.453 8.100 845 HB3 TYR 104 HB3 TYR 104 -2.293 7.696 9.649 846 HD1 TYR 104 HD1 TYR 104 -2.970 5.775 11.015 847 HD2 TYR 104 HD2 TYR 104 -0.863 5.238 7.363 848 HE1 TYR 104 HE1 TYR 104 -2.473 3.454 11.646 849 HE2 TYR 104 HE2 TYR 104 -0.360 2.915 7.984 850 HH TYR 104 HH TYR 104 -1.953 1.302 10.417 851 H ALA 105 H ALA 105 -2.923 8.958 6.283 852 HA ALA 105 HA ALA 105 -3.860 11.294 7.654 853 HB1 ALA 105 HB1 ALA 105 -1.946 11.371 6.112 854 HB2 ALA 105 HB2 ALA 105 -3.206 12.521 5.666 855 HB3 ALA 105 HB3 ALA 105 -3.030 11.015 4.766 856 H GLY 106 H GLY 106 -5.313 8.962 5.661 857 HA2 GLY 106 HA2 GLY 106 -7.467 10.682 4.757 858 HA3 GLY 106 HA3 GLY 106 -7.333 8.949 4.496 859 H SER 107 H SER 107 -7.208 7.874 6.935 860 HA SER 107 HA SER 107 -9.932 8.087 7.746 861 HB2 SER 107 HB2 SER 107 -7.702 6.458 8.927 862 HB3 SER 107 HB3 SER 107 -9.424 6.240 9.244 863 HG SER 107 HG SER 107 -7.939 5.661 6.936 864 H ARG 108 H ARG 108 -7.437 10.033 8.537 865 HA ARG 108 HA ARG 108 -7.772 10.353 11.324 866 HB2 ARG 108 HB2 ARG 108 -6.630 12.476 11.076 867 HB3 ARG 108 HB3 ARG 108 -5.834 11.261 10.086 868 HG2 ARG 108 HG2 ARG 108 -6.770 12.146 8.093 869 HG3 ARG 108 HG3 ARG 108 -7.849 13.209 8.998 870 HD2 ARG 108 HD2 ARG 108 -5.987 14.515 9.782 871 HD3 ARG 108 HD3 ARG 108 -4.841 13.382 9.068 872 HE ARG 108 HE ARG 108 -6.456 14.266 7.001 873 HH11 ARG 108 HH11 ARG 108 -4.201 15.699 9.260 874 HH12 ARG 108 HH12 ARG 108 -3.717 16.968 8.180 875 HH21 ARG 108 HH21 ARG 108 -5.833 15.926 5.578 876 HH22 ARG 108 HH22 ARG 108 -4.634 17.089 6.072 877 H ASN 109 H ASN 109 -9.669 11.383 8.602 878 HA ASN 109 HA ASN 109 -10.832 13.662 9.819 879 HB2 ASN 109 HB2 ASN 109 -12.513 13.566 8.009 880 HB3 ASN 109 HB3 ASN 109 -10.863 13.469 7.413 881 HD21 ASN 109 HD21 ASN 109 -11.484 12.546 5.488 882 HD22 ASN 109 HD22 ASN 109 -12.032 10.906 5.375 883 H PHE 110 H PHE 110 -11.367 10.332 10.275 884 HA PHE 110 HA PHE 110 -14.017 10.654 11.366 885 HB2 PHE 110 HB2 PHE 110 -12.079 8.348 11.301 886 HB3 PHE 110 HB3 PHE 110 -13.592 8.272 12.198 887 HD1 PHE 110 HD1 PHE 110 -15.746 8.701 10.915 888 HD2 PHE 110 HD2 PHE 110 -12.027 7.867 9.025 889 HE1 PHE 110 HE1 PHE 110 -16.940 8.052 8.866 890 HE2 PHE 110 HE2 PHE 110 -13.216 7.216 6.972 891 HZ PHE 110 HZ PHE 110 -15.677 7.312 6.892 892 H ILE 111 H ILE 111 -10.742 10.120 12.656 893 HA ILE 111 HA ILE 111 -11.646 10.098 15.362 894 HB ILE 111 HB ILE 111 -9.654 8.879 14.773 895 HG12 ILE 111 HG12 ILE 111 -9.935 10.168 17.050 896 HG13 ILE 111 HG13 ILE 111 -8.458 9.300 16.681 897 HG21 ILE 111 HG21 ILE 111 -8.811 10.218 12.959 898 HG22 ILE 111 HG22 ILE 111 -7.552 10.003 14.176 899 HG23 ILE 111 HG23 ILE 111 -8.423 11.532 14.069 900 HD11 ILE 111 HD11 ILE 111 -7.983 11.450 17.692 901 HD12 ILE 111 HD12 ILE 111 -8.877 12.266 16.410 902 HD13 ILE 111 HD13 ILE 111 -7.387 11.401 16.032 903 H VAL 112 H VAL 112 -10.210 12.563 13.266 904 HA VAL 112 HA VAL 112 -9.910 14.554 15.246 905 HB VAL 112 HB VAL 112 -10.355 14.860 12.263 906 HG11 VAL 112 HG11 VAL 112 -9.395 16.889 14.278 907 HG12 VAL 112 HG12 VAL 112 -10.933 16.925 13.415 908 HG13 VAL 112 HG13 VAL 112 -9.419 17.113 12.529 909 HG21 VAL 112 HG21 VAL 112 -7.922 15.243 12.204 910 HG22 VAL 112 HG22 VAL 112 -8.341 13.627 12.772 911 HG23 VAL 112 HG23 VAL 112 -7.841 14.864 13.925 912 H ASN 113 H ASN 113 -12.625 13.343 13.515 913 HA ASN 113 HA ASN 113 -14.340 15.604 14.124 914 HB2 ASN 113 HB2 ASN 113 -14.666 14.376 12.019 915 HB3 ASN 113 HB3 ASN 113 -14.978 12.897 12.917 916 HD21 ASN 113 HD21 ASN 113 -16.965 12.604 13.897 917 HD22 ASN 113 HD22 ASN 113 -18.314 13.642 13.601 918 H GLU 114 H GLU 114 -14.008 12.223 15.064 919 HA GLU 114 HA GLU 114 -16.186 11.944 16.737 920 HB2 GLU 114 HB2 GLU 114 -13.952 10.437 16.017 921 HB3 GLU 114 HB3 GLU 114 -13.862 10.552 17.765 922 HG2 GLU 114 HG2 GLU 114 -16.237 9.564 16.202 923 HG3 GLU 114 HG3 GLU 114 -15.055 8.555 17.036 924 H CYS 115 H CYS 115 -12.895 12.961 17.604 925 HA CYS 115 HA CYS 115 -13.740 13.396 20.362 926 HB2 CYS 115 HB2 CYS 115 -10.987 13.892 19.253 927 HB3 CYS 115 HB3 CYS 115 -11.448 13.487 20.904 928 HG CYS 115 HG CYS 115 -10.453 11.499 18.535 929 H HIS 116 H HIS 116 -13.973 15.127 17.641 930 HA HIS 116 HA HIS 116 -13.724 17.284 16.938 931 HB2 HIS 116 HB2 HIS 116 -15.563 17.424 18.697 932 HB3 HIS 116 HB3 HIS 116 -14.334 18.010 19.811 933 HD1 HIS 116 HD1 HIS 116 -13.815 20.478 19.742 934 HD2 HIS 116 HD2 HIS 116 -16.001 19.205 16.435 935 HE1 HIS 116 HE1 HIS 116 -14.467 22.569 18.508 936 HE2 HIS 116 HE2 HIS 116 -15.628 21.767 16.421 937 H VAL 117 H VAL 117 -11.356 16.355 17.082 938 HA VAL 117 HA VAL 117 -9.586 17.225 19.065 939 HB VAL 117 HB VAL 117 -8.841 16.829 16.166 940 HG11 VAL 117 HG11 VAL 117 -7.098 17.787 17.553 941 HG12 VAL 117 HG12 VAL 117 -6.694 16.130 17.100 942 HG13 VAL 117 HG13 VAL 117 -7.289 16.482 18.723 943 HG21 VAL 117 HG21 VAL 117 -8.438 14.487 16.718 944 HG22 VAL 117 HG22 VAL 117 -10.139 14.912 16.911 945 HG23 VAL 117 HG23 VAL 117 -9.104 14.748 18.330 946 H SER 118 H SER 118 -8.520 19.062 19.440 947 HA SER 118 HA SER 118 -9.495 21.474 18.419 948 HB2 SER 118 HB2 SER 118 -6.831 21.100 19.788 949 HB3 SER 118 HB3 SER 118 -7.885 22.514 19.832 950 HG SER 118 HG SER 118 -9.249 21.496 21.180 951 H LYS 119 H LYS 119 -6.705 19.513 17.561 952 HA LYS 119 HA LYS 119 -6.293 20.817 15.080 953 HB2 LYS 119 HB2 LYS 119 -3.906 21.600 15.805 954 HB3 LYS 119 HB3 LYS 119 -5.295 22.637 16.108 955 HG2 LYS 119 HG2 LYS 119 -5.401 21.764 18.418 956 HG3 LYS 119 HG3 LYS 119 -3.946 20.819 18.098 957 HD2 LYS 119 HD2 LYS 119 -4.086 23.811 17.803 958 HD3 LYS 119 HD3 LYS 119 -3.571 23.001 19.285 959 HE2 LYS 119 HE2 LYS 119 -1.712 22.019 18.206 960 HE3 LYS 119 HE3 LYS 119 -2.304 22.482 16.615 961 HZ1 LYS 119 HZ1 LYS 119 -0.590 23.983 17.200 962 HZ2 LYS 119 HZ2 LYS 119 -1.239 24.255 18.745 963 HZ3 LYS 119 HZ3 LYS 119 -2.037 24.840 17.369 964 H ASN 120 H ASN 120 -4.202 20.072 14.054 965 HA ASN 120 HA ASN 120 -3.076 17.674 15.286 966 HB2 ASN 120 HB2 ASN 120 -3.087 16.460 13.174 967 HB3 ASN 120 HB3 ASN 120 -4.725 16.878 13.646 968 HD21 ASN 120 HD21 ASN 120 -2.162 17.414 11.384 969 HD22 ASN 120 HD22 ASN 120 -3.090 18.286 10.210 970 H THR 121 H THR 121 -1.100 16.969 13.910 971 HA THR 121 HA THR 121 0.273 19.172 12.621 972 HB THR 121 HB THR 121 1.423 17.867 15.098 973 HG1 THR 121 HG1 THR 121 -0.161 20.070 14.758 974 HG21 THR 121 HG21 THR 121 3.216 19.508 14.875 975 HG22 THR 121 HG22 THR 121 2.486 20.115 13.389 976 HG23 THR 121 HG23 THR 121 3.125 18.472 13.451 977 H GLU 122 H GLU 122 1.855 18.438 11.177 978 HA GLU 122 HA GLU 122 2.482 15.569 11.314 979 HB2 GLU 122 HB2 GLU 122 2.601 15.512 8.846 980 HB3 GLU 122 HB3 GLU 122 0.984 15.836 9.448 981 HG2 GLU 122 HG2 GLU 122 2.764 18.097 8.662 982 HG3 GLU 122 HG3 GLU 122 1.920 17.159 7.433 983 H ILE 123 H ILE 123 4.528 14.963 10.900 984 HA ILE 123 HA ILE 123 6.489 16.835 9.889 985 HB ILE 123 HB ILE 123 7.927 15.978 12.023 986 HG12 ILE 123 HG12 ILE 123 5.086 16.356 12.964 987 HG13 ILE 123 HG13 ILE 123 6.140 14.972 13.236 988 HG21 ILE 123 HG21 ILE 123 7.863 18.232 11.137 989 HG22 ILE 123 HG22 ILE 123 7.711 18.239 12.895 990 HG23 ILE 123 HG23 ILE 123 6.287 18.495 11.884 991 HD11 ILE 123 HD11 ILE 123 7.562 16.345 14.673 992 HD12 ILE 123 HD12 ILE 123 5.896 16.295 15.251 993 HD13 ILE 123 HD13 ILE 123 6.495 17.724 14.407 994 H ARG 124 H ARG 124 8.408 15.790 9.183 995 HA ARG 124 HA ARG 124 8.034 12.881 8.952 996 HB2 ARG 124 HB2 ARG 124 7.813 14.084 6.826 997 HB3 ARG 124 HB3 ARG 124 9.412 14.783 7.043 998 HG2 ARG 124 HG2 ARG 124 9.595 11.940 7.245 999 HG3 ARG 124 HG3 ARG 124 8.730 12.373 5.769 1000 HD2 ARG 124 HD2 ARG 124 10.527 13.656 4.966 1001 HD3 ARG 124 HD3 ARG 124 11.301 13.713 6.549 1002 HE ARG 124 HE ARG 124 11.252 11.408 4.717 1003 HH11 ARG 124 HH11 ARG 124 12.411 12.955 7.643 1004 HH12 ARG 124 HH12 ARG 124 13.759 11.867 7.839 1005 HH21 ARG 124 HH21 ARG 124 13.034 9.977 4.967 1006 HH22 ARG 124 HH22 ARG 124 14.133 10.207 6.302 1007 H ASP 125 H ASP 125 9.150 13.069 11.145 1008 HA ASP 125 HA ASP 125 11.492 11.655 10.972 1009 HB2 ASP 125 HB2 ASP 125 12.433 13.939 10.244 1010 HB3 ASP 125 HB3 ASP 125 12.188 14.438 11.914 1011 H ILE 126 H ILE 126 12.606 11.504 13.186 1012 HA ILE 126 HA ILE 126 10.510 11.571 15.230 1013 HB ILE 126 HB ILE 126 13.188 10.170 15.288 1014 HG12 ILE 126 HG12 ILE 126 11.718 9.265 13.529 1015 HG13 ILE 126 HG13 ILE 126 11.963 8.109 14.834 1016 HG21 ILE 126 HG21 ILE 126 12.258 8.915 17.176 1017 HG22 ILE 126 HG22 ILE 126 10.795 9.897 17.102 1018 HG23 ILE 126 HG23 ILE 126 12.338 10.644 17.513 1019 HD11 ILE 126 HD11 ILE 126 9.663 8.087 14.108 1020 HD12 ILE 126 HD12 ILE 126 9.524 9.820 14.401 1021 HD13 ILE 126 HD13 ILE 126 9.767 8.714 15.753 1022 H ASP 127 H ASP 127 13.596 12.930 14.400 1023 HA ASP 127 HA ASP 127 14.268 13.727 17.095 1024 HB2 ASP 127 HB2 ASP 127 16.053 13.070 15.604 1025 HB3 ASP 127 HB3 ASP 127 15.571 14.288 14.428 1026 H GLU 128 H GLU 128 12.731 15.162 14.326 1027 HA GLU 128 HA GLU 128 13.140 17.857 15.260 1028 HB2 GLU 128 HB2 GLU 128 11.651 18.501 13.375 1029 HB3 GLU 128 HB3 GLU 128 13.053 17.558 12.895 1030 HG2 GLU 128 HG2 GLU 128 11.589 15.545 12.842 1031 HG3 GLU 128 HG3 GLU 128 10.210 16.610 13.122 1032 H ILE 129 H ILE 129 11.280 15.506 16.441 1033 HA ILE 129 HA ILE 129 9.027 17.262 17.142 1034 HB ILE 129 HB ILE 129 9.366 14.408 18.050 1035 HG12 ILE 129 HG12 ILE 129 8.033 15.287 15.479 1036 HG13 ILE 129 HG13 ILE 129 9.582 14.457 15.576 1037 HG21 ILE 129 HG21 ILE 129 6.912 14.477 18.152 1038 HG22 ILE 129 HG22 ILE 129 6.947 16.151 17.600 1039 HG23 ILE 129 HG23 ILE 129 7.655 15.722 19.157 1040 HD11 ILE 129 HD11 ILE 129 8.488 12.517 16.560 1041 HD12 ILE 129 HD12 ILE 129 7.784 12.931 14.996 1042 HD13 ILE 129 HD13 ILE 129 6.936 13.352 16.485 1043 H ASP 130 H ASP 130 9.314 18.458 18.975 1044 HA ASP 130 HA ASP 130 10.055 17.307 21.434 1045 HB2 ASP 130 HB2 ASP 130 12.305 17.499 20.081 1046 HB3 ASP 130 HB3 ASP 130 12.206 19.197 20.536 1047 H ASP 131 H ASP 131 11.068 19.413 22.814 1048 HA ASP 131 HA ASP 131 8.767 20.972 23.294 1049 HB2 ASP 131 HB2 ASP 131 10.312 20.443 25.061 1050 HB3 ASP 131 HB3 ASP 131 11.640 21.208 24.204 1051 H GLU 132 H GLU 132 11.309 21.345 21.083 1052 HA GLU 132 HA GLU 132 11.528 24.131 20.903 1053 HB2 GLU 132 HB2 GLU 132 12.547 23.759 18.714 1054 HB3 GLU 132 HB3 GLU 132 13.178 22.637 19.906 1055 HG2 GLU 132 HG2 GLU 132 11.922 20.833 18.993 1056 HG3 GLU 132 HG3 GLU 132 11.004 21.926 17.957 1057 H LEU 133 H LEU 133 9.499 21.867 19.028 1058 HA LEU 133 HA LEU 133 8.136 24.067 17.751 1059 HB2 LEU 133 HB2 LEU 133 6.637 22.255 16.836 1060 HB3 LEU 133 HB3 LEU 133 8.315 22.180 16.363 1061 HG LEU 133 HG LEU 133 8.581 20.427 18.227 1062 HD11 LEU 133 HD11 LEU 133 6.579 19.178 18.808 1063 HD12 LEU 133 HD12 LEU 133 5.582 20.325 17.912 1064 HD13 LEU 133 HD13 LEU 133 6.446 20.848 19.358 1065 HD21 LEU 133 HD21 LEU 133 7.750 18.646 16.737 1066 HD22 LEU 133 HD22 LEU 133 8.690 19.872 15.887 1067 HD23 LEU 133 HD23 LEU 133 6.931 19.872 15.770 1068 H LEU 134 H LEU 134 7.806 22.151 20.549 1069 HA LEU 134 HA LEU 134 5.097 22.227 21.080 1070 HB2 LEU 134 HB2 LEU 134 6.525 20.894 22.404 1071 HB3 LEU 134 HB3 LEU 134 7.521 22.262 22.850 1072 HG LEU 134 HG LEU 134 5.706 23.142 24.227 1073 HD11 LEU 134 HD11 LEU 134 4.262 20.597 23.486 1074 HD12 LEU 134 HD12 LEU 134 3.801 22.229 23.002 1075 HD13 LEU 134 HD13 LEU 134 3.734 21.760 24.701 1076 HD21 LEU 134 HD21 LEU 134 6.428 20.280 24.825 1077 HD22 LEU 134 HD22 LEU 134 5.801 21.445 25.991 1078 HD23 LEU 134 HD23 LEU 134 7.377 21.707 25.243 1079 H GLU 135 H GLU 135 7.483 24.775 21.373 1080 HA GLU 135 HA GLU 135 6.103 26.542 23.045 1081 HB2 GLU 135 HB2 GLU 135 8.021 27.117 20.789 1082 HB3 GLU 135 HB3 GLU 135 7.469 28.316 21.947 1083 HG2 GLU 135 HG2 GLU 135 8.467 27.001 23.760 1084 HG3 GLU 135 HG3 GLU 135 9.064 25.844 22.568 1085 H SER 136 H SER 136 5.435 25.659 19.780 1086 HA SER 136 HA SER 136 3.380 27.761 19.693 1087 HB2 SER 136 HB2 SER 136 3.812 27.880 17.193 1088 HB3 SER 136 HB3 SER 136 5.074 28.559 18.221 1089 HG SER 136 HG SER 136 6.365 26.843 17.815 1090 H LYS 137 H LYS 137 4.080 24.516 19.596 1091 HA LYS 137 HA LYS 137 2.086 23.760 17.660 1092 HB2 LYS 137 HB2 LYS 137 4.308 22.454 18.960 1093 HB3 LYS 137 HB3 LYS 137 2.866 21.448 19.000 1094 HG2 LYS 137 HG2 LYS 137 4.286 21.036 17.020 1095 HG3 LYS 137 HG3 LYS 137 2.653 21.559 16.604 1096 HD2 LYS 137 HD2 LYS 137 3.493 23.852 16.274 1097 HD3 LYS 137 HD3 LYS 137 5.125 23.293 16.646 1098 HE2 LYS 137 HE2 LYS 137 5.060 21.797 14.717 1099 HE3 LYS 137 HE3 LYS 137 3.416 22.324 14.354 1100 HZ1 LYS 137 HZ1 LYS 137 5.159 23.426 13.002 1101 HZ2 LYS 137 HZ2 LYS 137 5.763 24.142 14.414 1102 HZ3 LYS 137 HZ3 LYS 137 4.197 24.513 13.881 1103 H PHE 138 H PHE 138 2.177 24.239 21.079 1104 HA PHE 138 HA PHE 138 -0.108 22.553 21.571 1105 HB2 PHE 138 HB2 PHE 138 -0.064 23.606 23.862 1106 HB3 PHE 138 HB3 PHE 138 1.389 22.737 23.403 1107 HD1 PHE 138 HD1 PHE 138 0.808 26.103 22.056 1108 HD2 PHE 138 HD2 PHE 138 2.626 23.836 25.166 1109 HE1 PHE 138 HE1 PHE 138 2.153 28.059 22.695 1110 HE2 PHE 138 HE2 PHE 138 3.976 25.787 25.803 1111 HZ PHE 138 HZ PHE 138 3.741 27.903 24.568 Start of MODEL 6 1 H MET 1 H MET 1 0.528 0.132 -3.999 2 HA MET 1 HA MET 1 1.868 -1.496 -5.137 3 HB2 MET 1 HB2 MET 1 4.028 -0.841 -4.271 4 HB3 MET 1 HB3 MET 1 2.931 0.527 -4.181 5 HG2 MET 1 HG2 MET 1 2.590 0.032 -1.780 6 HG3 MET 1 HG3 MET 1 3.800 -1.242 -1.909 7 HE1 MET 1 HE1 MET 1 5.909 0.090 -3.926 8 HE2 MET 1 HE2 MET 1 6.359 -0.800 -2.472 9 HE3 MET 1 HE3 MET 1 7.035 0.801 -2.769 10 H THR 2 H THR 2 1.383 -2.213 -1.710 11 HA THR 2 HA THR 2 2.220 -4.968 -2.338 12 HB THR 2 HB THR 2 3.815 -4.082 -0.753 13 HG1 THR 2 HG1 THR 2 2.803 -6.279 -0.442 14 HG21 THR 2 HG21 THR 2 1.459 -3.429 1.015 15 HG22 THR 2 HG22 THR 2 2.495 -2.265 0.188 16 HG23 THR 2 HG23 THR 2 3.160 -3.283 1.464 17 H SER 3 H SER 3 -0.056 -2.910 -0.555 18 HA SER 3 HA SER 3 -2.038 -5.029 -0.902 19 HB2 SER 3 HB2 SER 3 -1.040 -5.097 1.458 20 HB3 SER 3 HB3 SER 3 -1.827 -3.542 1.720 21 HG SER 3 HG SER 3 -3.105 -5.985 1.007 22 H SER 4 H SER 4 -4.257 -3.900 0.038 23 HA SER 4 HA SER 4 -4.621 -1.851 -1.948 24 HB2 SER 4 HB2 SER 4 -6.596 -3.179 -0.086 25 HB3 SER 4 HB3 SER 4 -7.016 -2.125 -1.438 26 HG SER 4 HG SER 4 -6.855 -4.625 -1.648 27 H LEU 5 H LEU 5 -6.076 0.013 -1.470 28 HA LEU 5 HA LEU 5 -5.192 1.349 1.008 29 HB2 LEU 5 HB2 LEU 5 -4.451 2.183 -1.315 30 HB3 LEU 5 HB3 LEU 5 -6.112 2.688 -1.534 31 HG LEU 5 HG LEU 5 -4.389 3.675 0.737 32 HD11 LEU 5 HD11 LEU 5 -3.341 4.274 -1.378 33 HD12 LEU 5 HD12 LEU 5 -4.034 5.692 -0.594 34 HD13 LEU 5 HD13 LEU 5 -4.867 4.944 -1.956 35 HD21 LEU 5 HD21 LEU 5 -6.800 3.927 1.060 36 HD22 LEU 5 HD22 LEU 5 -6.925 4.753 -0.493 37 HD23 LEU 5 HD23 LEU 5 -6.018 5.490 0.828 38 H THR 6 H THR 6 -6.775 1.616 2.454 39 HA THR 6 HA THR 6 -9.426 2.425 1.588 40 HB THR 6 HB THR 6 -9.023 -0.064 3.272 41 HG1 THR 6 HG1 THR 6 -9.255 0.331 0.584 42 HG21 THR 6 HG21 THR 6 -11.457 -0.294 3.165 43 HG22 THR 6 HG22 THR 6 -11.570 1.225 2.276 44 HG23 THR 6 HG23 THR 6 -11.004 1.221 3.947 45 H ILE 7 H ILE 7 -10.611 3.470 3.225 46 HA ILE 7 HA ILE 7 -9.030 4.462 5.444 47 HB ILE 7 HB ILE 7 -11.010 5.881 5.923 48 HG12 ILE 7 HG12 ILE 7 -12.161 4.556 3.453 49 HG13 ILE 7 HG13 ILE 7 -12.741 4.339 5.098 50 HG21 ILE 7 HG21 ILE 7 -10.837 7.279 3.907 51 HG22 ILE 7 HG22 ILE 7 -10.028 5.952 3.074 52 HG23 ILE 7 HG23 ILE 7 -9.264 6.713 4.470 53 HD11 ILE 7 HD11 ILE 7 -14.168 5.856 3.861 54 HD12 ILE 7 HD12 ILE 7 -12.791 6.909 3.539 55 HD13 ILE 7 HD13 ILE 7 -13.368 6.695 5.191 56 H CYS 8 H CYS 8 -9.619 4.259 7.625 57 HA CYS 8 HA CYS 8 -11.240 1.860 8.149 58 HB2 CYS 8 HB2 CYS 8 -8.905 2.972 9.715 59 HB3 CYS 8 HB3 CYS 8 -9.853 1.561 10.179 60 HG CYS 8 HG CYS 8 -8.130 1.732 7.229 61 H SER 9 H SER 9 -12.542 1.798 10.026 62 HA SER 9 HA SER 9 -13.614 4.447 10.655 63 HB2 SER 9 HB2 SER 9 -14.842 1.718 11.123 64 HB3 SER 9 HB3 SER 9 -15.650 3.278 11.292 65 HG SER 9 HG SER 9 -14.519 3.096 8.864 66 H ILE 10 H ILE 10 -14.672 4.493 12.937 67 HA ILE 10 HA ILE 10 -12.564 3.775 14.840 68 HB ILE 10 HB ILE 10 -14.925 5.633 15.211 69 HG12 ILE 10 HG12 ILE 10 -13.354 6.476 13.511 70 HG13 ILE 10 HG13 ILE 10 -13.329 7.466 14.965 71 HG21 ILE 10 HG21 ILE 10 -14.121 4.713 17.308 72 HG22 ILE 10 HG22 ILE 10 -13.708 6.424 17.188 73 HG23 ILE 10 HG23 ILE 10 -12.473 5.197 16.910 74 HD11 ILE 10 HD11 ILE 10 -11.297 5.375 14.224 75 HD12 ILE 10 HD12 ILE 10 -11.272 6.379 15.674 76 HD13 ILE 10 HD13 ILE 10 -11.096 7.122 14.085 77 HA PRO 11 HA PRO 11 -15.433 0.560 16.260 78 HB2 PRO 11 HB2 PRO 11 -13.637 -0.551 17.988 79 HB3 PRO 11 HB3 PRO 11 -13.691 -0.938 16.267 80 HG2 PRO 11 HG2 PRO 11 -11.876 0.915 17.741 81 HG3 PRO 11 HG3 PRO 11 -11.500 -0.208 16.423 82 HD2 PRO 11 HD2 PRO 11 -11.813 2.461 16.045 83 HD3 PRO 11 HD3 PRO 11 -12.222 1.262 14.802 84 H ASP 12 H ASP 12 -16.815 0.764 17.921 85 HA ASP 12 HA ASP 12 -16.767 3.034 19.551 86 HB2 ASP 12 HB2 ASP 12 -18.833 1.861 18.911 87 HB3 ASP 12 HB3 ASP 12 -18.373 0.498 19.926 88 H GLY 13 H GLY 13 -15.616 -0.222 20.112 89 HA2 GLY 13 HA2 GLY 13 -15.335 -0.220 22.884 90 HA3 GLY 13 HA3 GLY 13 -14.289 -1.092 21.774 91 H VAL 14 H VAL 14 -12.817 0.700 20.509 92 HA VAL 14 HA VAL 14 -11.197 1.795 22.635 93 HB VAL 14 HB VAL 14 -9.532 2.288 21.000 94 HG11 VAL 14 HG11 VAL 14 -9.689 -0.046 21.615 95 HG12 VAL 14 HG12 VAL 14 -9.202 0.106 19.926 96 HG13 VAL 14 HG13 VAL 14 -10.863 -0.329 20.329 97 HG21 VAL 14 HG21 VAL 14 -9.920 2.002 18.582 98 HG22 VAL 14 HG22 VAL 14 -10.902 3.288 19.281 99 HG23 VAL 14 HG23 VAL 14 -11.631 1.726 18.912 100 H LYS 15 H LYS 15 -13.651 2.887 20.556 101 HA LYS 15 HA LYS 15 -13.047 5.624 20.415 102 HB2 LYS 15 HB2 LYS 15 -14.737 4.896 18.987 103 HB3 LYS 15 HB3 LYS 15 -15.565 4.008 20.251 104 HG2 LYS 15 HG2 LYS 15 -15.453 6.929 20.598 105 HG3 LYS 15 HG3 LYS 15 -16.425 6.334 19.250 106 HD2 LYS 15 HD2 LYS 15 -17.400 4.690 20.988 107 HD3 LYS 15 HD3 LYS 15 -16.730 5.801 22.179 108 HE2 LYS 15 HE2 LYS 15 -18.085 7.579 21.435 109 HE3 LYS 15 HE3 LYS 15 -18.536 6.721 19.961 110 HZ1 LYS 15 HZ1 LYS 15 -19.329 5.976 22.728 111 HZ2 LYS 15 HZ2 LYS 15 -19.720 5.100 21.335 112 HZ3 LYS 15 HZ3 LYS 15 -20.335 6.665 21.548 113 H GLU 16 H GLU 16 -14.949 3.768 22.786 114 HA GLU 16 HA GLU 16 -15.480 5.886 24.561 115 HB2 GLU 16 HB2 GLU 16 -16.533 3.635 24.708 116 HB3 GLU 16 HB3 GLU 16 -14.990 2.973 25.227 117 HG2 GLU 16 HG2 GLU 16 -15.096 4.596 27.163 118 HG3 GLU 16 HG3 GLU 16 -16.772 4.886 26.700 119 H ASP 17 H ASP 17 -12.836 3.587 24.354 120 HA ASP 17 HA ASP 17 -11.348 4.337 26.580 121 HB2 ASP 17 HB2 ASP 17 -10.994 2.318 25.160 122 HB3 ASP 17 HB3 ASP 17 -10.305 3.352 23.916 123 H LEU 18 H LEU 18 -11.343 5.623 23.293 124 HA LEU 18 HA LEU 18 -9.158 7.418 23.747 125 HB2 LEU 18 HB2 LEU 18 -9.688 6.506 21.534 126 HB3 LEU 18 HB3 LEU 18 -11.229 7.338 21.552 127 HG LEU 18 HG LEU 18 -10.093 9.499 21.484 128 HD11 LEU 18 HD11 LEU 18 -8.074 8.935 22.708 129 HD12 LEU 18 HD12 LEU 18 -7.669 9.612 21.131 130 HD13 LEU 18 HD13 LEU 18 -7.556 7.873 21.400 131 HD21 LEU 18 HD21 LEU 18 -10.671 8.401 19.392 132 HD22 LEU 18 HD22 LEU 18 -9.117 7.566 19.387 133 HD23 LEU 18 HD23 LEU 18 -9.176 9.321 19.224 134 H LYS 19 H LYS 19 -12.632 7.598 24.073 135 HA LYS 19 HA LYS 19 -12.840 10.429 24.202 136 HB2 LYS 19 HB2 LYS 19 -14.576 8.133 24.706 137 HB3 LYS 19 HB3 LYS 19 -14.890 9.474 25.789 138 HG2 LYS 19 HG2 LYS 19 -16.349 9.862 24.039 139 HG3 LYS 19 HG3 LYS 19 -14.982 10.899 23.639 140 HD2 LYS 19 HD2 LYS 19 -15.021 8.130 22.555 141 HD3 LYS 19 HD3 LYS 19 -16.115 9.315 21.846 142 HE2 LYS 19 HE2 LYS 19 -14.249 10.766 21.316 143 HE3 LYS 19 HE3 LYS 19 -13.131 9.666 22.114 144 HZ1 LYS 19 HZ1 LYS 19 -14.766 9.006 19.724 145 HZ2 LYS 19 HZ2 LYS 19 -13.649 7.983 20.487 146 HZ3 LYS 19 HZ3 LYS 19 -13.113 9.389 19.717 147 H LYS 20 H LYS 20 -12.251 7.909 26.592 148 HA LYS 20 HA LYS 20 -12.653 9.408 28.916 149 HB2 LYS 20 HB2 LYS 20 -10.744 7.105 28.490 150 HB3 LYS 20 HB3 LYS 20 -11.294 7.701 30.050 151 HG2 LYS 20 HG2 LYS 20 -12.995 6.440 27.913 152 HG3 LYS 20 HG3 LYS 20 -12.511 5.713 29.446 153 HD2 LYS 20 HD2 LYS 20 -13.751 7.437 30.656 154 HD3 LYS 20 HD3 LYS 20 -14.229 8.174 29.126 155 HE2 LYS 20 HE2 LYS 20 -16.010 6.776 30.056 156 HE3 LYS 20 HE3 LYS 20 -15.435 6.159 28.509 157 HZ1 LYS 20 HZ1 LYS 20 -14.566 5.128 31.156 158 HZ2 LYS 20 HZ2 LYS 20 -14.165 4.485 29.638 159 HZ3 LYS 20 HZ3 LYS 20 -15.766 4.416 30.196 160 H PHE 21 H PHE 21 -9.823 9.119 26.857 161 HA PHE 21 HA PHE 21 -7.862 10.204 28.426 162 HB2 PHE 21 HB2 PHE 21 -7.444 9.228 26.234 163 HB3 PHE 21 HB3 PHE 21 -8.330 10.534 25.455 164 HD1 PHE 21 HD1 PHE 21 -6.001 10.946 28.252 165 HD2 PHE 21 HD2 PHE 21 -6.585 11.347 24.072 166 HE1 PHE 21 HE1 PHE 21 -3.955 12.225 28.095 167 HE2 PHE 21 HE2 PHE 21 -4.510 12.648 23.901 168 HZ PHE 21 HZ PHE 21 -3.181 13.093 25.923 169 H ARG 22 H ARG 22 -10.297 11.906 26.496 170 HA ARG 22 HA ARG 22 -9.126 14.457 27.277 171 HB2 ARG 22 HB2 ARG 22 -10.766 15.428 25.657 172 HB3 ARG 22 HB3 ARG 22 -9.592 14.325 24.954 173 HG2 ARG 22 HG2 ARG 22 -11.253 12.565 24.871 174 HG3 ARG 22 HG3 ARG 22 -12.428 13.616 25.664 175 HD2 ARG 22 HD2 ARG 22 -11.108 14.348 23.066 176 HD3 ARG 22 HD3 ARG 22 -12.591 13.400 23.135 177 HE ARG 22 HE ARG 22 -13.349 15.472 24.559 178 HH11 ARG 22 HH11 ARG 22 -11.340 15.526 21.705 179 HH12 ARG 22 HH12 ARG 22 -12.017 16.998 21.084 180 HH21 ARG 22 HH21 ARG 22 -14.241 17.446 23.774 181 HH22 ARG 22 HH22 ARG 22 -13.645 18.100 22.280 182 H PHE 23 H PHE 23 -11.449 12.425 28.528 183 HA PHE 23 HA PHE 23 -12.992 14.722 29.537 184 HB2 PHE 23 HB2 PHE 23 -13.916 11.899 29.012 185 HB3 PHE 23 HB3 PHE 23 -14.864 13.081 29.909 186 HD1 PHE 23 HD1 PHE 23 -14.640 15.518 28.489 187 HD2 PHE 23 HD2 PHE 23 -14.833 11.565 26.931 188 HE1 PHE 23 HE1 PHE 23 -15.562 16.396 26.385 189 HE2 PHE 23 HE2 PHE 23 -15.749 12.438 24.822 190 HZ PHE 23 HZ PHE 23 -16.114 14.858 24.547 191 H SER 24 H SER 24 -11.096 11.960 30.488 192 HA SER 24 HA SER 24 -11.620 12.694 33.283 193 HB2 SER 24 HB2 SER 24 -11.460 9.818 32.366 194 HB3 SER 24 HB3 SER 24 -11.891 10.414 33.969 195 HG SER 24 HG SER 24 -13.785 11.306 33.059 196 H LYS 25 H LYS 25 -9.465 13.760 32.721 197 HA LYS 25 HA LYS 25 -7.455 12.024 33.937 198 HB2 LYS 25 HB2 LYS 25 -6.936 13.673 31.452 199 HB3 LYS 25 HB3 LYS 25 -5.661 13.036 32.476 200 HG2 LYS 25 HG2 LYS 25 -7.652 11.455 30.864 201 HG3 LYS 25 HG3 LYS 25 -5.925 11.626 30.556 202 HD2 LYS 25 HD2 LYS 25 -7.140 10.313 32.989 203 HD3 LYS 25 HD3 LYS 25 -6.510 9.455 31.585 204 HE2 LYS 25 HE2 LYS 25 -4.287 10.339 32.023 205 HE3 LYS 25 HE3 LYS 25 -4.908 11.263 33.392 206 HZ1 LYS 25 HZ1 LYS 25 -4.999 8.297 33.184 207 HZ2 LYS 25 HZ2 LYS 25 -5.444 9.234 34.530 208 HZ3 LYS 25 HZ3 LYS 25 -3.821 9.162 34.041 209 H SER 26 H SER 26 -5.414 13.624 34.380 210 HA SER 26 HA SER 26 -6.613 15.808 35.923 211 HB2 SER 26 HB2 SER 26 -3.902 14.473 36.170 212 HB3 SER 26 HB3 SER 26 -4.496 15.767 37.213 213 HG SER 26 HG SER 26 -6.245 14.368 37.780 214 H THR 27 H THR 27 -4.857 17.651 36.301 215 HA THR 27 HA THR 27 -4.557 18.835 33.687 216 HB THR 27 HB THR 27 -3.878 20.021 36.388 217 HG1 THR 27 HG1 THR 27 -5.964 20.245 36.629 218 HG21 THR 27 HG21 THR 27 -2.842 21.198 34.505 219 HG22 THR 27 HG22 THR 27 -4.120 22.170 35.235 220 HG23 THR 27 HG23 THR 27 -4.414 21.326 33.715 221 H THR 28 H THR 28 -2.936 17.312 32.990 222 HA THR 28 HA THR 28 -0.299 18.485 33.346 223 HB THR 28 HB THR 28 -0.556 15.470 33.387 224 HG1 THR 28 HG1 THR 28 -1.114 17.230 35.424 225 HG21 THR 28 HG21 THR 28 1.619 17.350 34.331 226 HG22 THR 28 HG22 THR 28 1.637 16.420 32.833 227 HG23 THR 28 HG23 THR 28 1.680 15.584 34.383 228 H MET 29 H MET 29 1.134 16.966 31.591 229 HA MET 29 HA MET 29 -0.478 17.112 29.158 230 HB2 MET 29 HB2 MET 29 1.836 16.841 28.038 231 HB3 MET 29 HB3 MET 29 1.427 18.381 28.775 232 HG2 MET 29 HG2 MET 29 2.718 17.730 30.773 233 HG3 MET 29 HG3 MET 29 3.181 16.239 29.953 234 HE1 MET 29 HE1 MET 29 5.716 17.172 30.673 235 HE2 MET 29 HE2 MET 29 5.029 18.702 31.217 236 HE3 MET 29 HE3 MET 29 6.362 18.695 30.061 237 H ASN 30 H ASN 30 -1.186 15.372 28.234 238 HA ASN 30 HA ASN 30 0.045 12.775 28.907 239 HB2 ASN 30 HB2 ASN 30 -2.934 13.310 28.697 240 HB3 ASN 30 HB3 ASN 30 -2.168 11.789 29.131 241 HD21 ASN 30 HD21 ASN 30 -4.134 13.394 30.560 242 HD22 ASN 30 HD22 ASN 30 -3.440 13.739 32.108 243 H ALA 31 H ALA 31 -0.808 11.056 27.302 244 HA ALA 31 HA ALA 31 -1.529 12.125 24.715 245 HB1 ALA 31 HB1 ALA 31 1.122 10.732 25.049 246 HB2 ALA 31 HB2 ALA 31 0.908 12.461 24.776 247 HB3 ALA 31 HB3 ALA 31 0.416 11.305 23.538 248 H LEU 32 H LEU 32 -2.409 10.642 23.379 249 HA LEU 32 HA LEU 32 -2.262 7.811 24.152 250 HB2 LEU 32 HB2 LEU 32 -4.478 9.127 24.693 251 HB3 LEU 32 HB3 LEU 32 -4.769 8.964 22.974 252 HG LEU 32 HG LEU 32 -4.339 6.652 24.872 253 HD11 LEU 32 HD11 LEU 32 -6.414 7.788 25.374 254 HD12 LEU 32 HD12 LEU 32 -6.741 6.248 24.581 255 HD13 LEU 32 HD13 LEU 32 -6.873 7.753 23.671 256 HD21 LEU 32 HD21 LEU 32 -5.155 5.277 23.033 257 HD22 LEU 32 HD22 LEU 32 -3.681 6.136 22.584 258 HD23 LEU 32 HD23 LEU 32 -5.246 6.703 21.999 259 H ILE 33 H ILE 33 -1.196 6.859 22.552 260 HA ILE 33 HA ILE 33 -1.065 8.038 19.924 261 HB ILE 33 HB ILE 33 0.090 5.424 20.922 262 HG12 ILE 33 HG12 ILE 33 1.279 8.197 20.685 263 HG13 ILE 33 HG13 ILE 33 0.976 7.311 22.174 264 HG21 ILE 33 HG21 ILE 33 -0.137 5.503 18.478 265 HG22 ILE 33 HG22 ILE 33 1.554 5.541 18.972 266 HG23 ILE 33 HG23 ILE 33 0.758 7.024 18.445 267 HD11 ILE 33 HD11 ILE 33 3.327 7.296 21.601 268 HD12 ILE 33 HD12 ILE 33 2.957 6.563 20.040 269 HD13 ILE 33 HD13 ILE 33 2.658 5.666 21.530 270 H LEU 34 H LEU 34 -1.967 7.263 18.051 271 HA LEU 34 HA LEU 34 -4.047 5.213 18.432 272 HB2 LEU 34 HB2 LEU 34 -4.125 7.699 16.725 273 HB3 LEU 34 HB3 LEU 34 -5.370 6.464 16.756 274 HG LEU 34 HG LEU 34 -4.562 8.113 19.151 275 HD11 LEU 34 HD11 LEU 34 -6.946 8.413 17.332 276 HD12 LEU 34 HD12 LEU 34 -5.569 9.511 17.418 277 HD13 LEU 34 HD13 LEU 34 -6.639 9.329 18.807 278 HD21 LEU 34 HD21 LEU 34 -5.490 5.940 19.717 279 HD22 LEU 34 HD22 LEU 34 -6.877 6.242 18.670 280 HD23 LEU 34 HD23 LEU 34 -6.631 7.226 20.113 281 H LYS 35 H LYS 35 -4.508 3.860 16.680 282 HA LYS 35 HA LYS 35 -2.402 3.676 14.646 283 HB2 LYS 35 HB2 LYS 35 -1.920 2.197 16.494 284 HB3 LYS 35 HB3 LYS 35 -3.548 1.563 16.453 285 HG2 LYS 35 HG2 LYS 35 -2.324 -0.096 15.450 286 HG3 LYS 35 HG3 LYS 35 -2.939 0.814 14.068 287 HD2 LYS 35 HD2 LYS 35 -0.887 1.444 13.437 288 HD3 LYS 35 HD3 LYS 35 -0.405 1.826 15.094 289 HE2 LYS 35 HE2 LYS 35 -0.625 -0.951 13.997 290 HE3 LYS 35 HE3 LYS 35 0.886 -0.042 14.034 291 HZ1 LYS 35 HZ1 LYS 35 0.482 0.140 16.520 292 HZ2 LYS 35 HZ2 LYS 35 0.884 -1.401 15.944 293 HZ3 LYS 35 HZ3 LYS 35 -0.723 -1.035 16.324 294 H ILE 36 H ILE 36 -3.256 3.513 12.634 295 HA ILE 36 HA ILE 36 -6.014 2.570 12.327 296 HB ILE 36 HB ILE 36 -4.156 3.874 10.320 297 HG12 ILE 36 HG12 ILE 36 -6.788 4.930 11.342 298 HG13 ILE 36 HG13 ILE 36 -5.277 5.280 12.163 299 HG21 ILE 36 HG21 ILE 36 -5.588 2.223 9.232 300 HG22 ILE 36 HG22 ILE 36 -6.065 3.861 8.786 301 HG23 ILE 36 HG23 ILE 36 -7.013 2.957 9.968 302 HD11 ILE 36 HD11 ILE 36 -5.859 5.936 9.296 303 HD12 ILE 36 HD12 ILE 36 -4.413 6.373 10.210 304 HD13 ILE 36 HD13 ILE 36 -5.976 7.063 10.647 305 H ASP 37 H ASP 37 -6.156 0.438 12.179 306 HA ASP 37 HA ASP 37 -4.054 -1.013 10.726 307 HB2 ASP 37 HB2 ASP 37 -4.481 -1.702 13.081 308 HB3 ASP 37 HB3 ASP 37 -6.138 -2.100 12.635 309 H ARG 38 H ARG 38 -4.573 -1.361 8.657 310 HA ARG 38 HA ARG 38 -7.284 -1.106 7.756 311 HB2 ARG 38 HB2 ARG 38 -6.368 -1.535 5.512 312 HB3 ARG 38 HB3 ARG 38 -5.482 -0.280 6.364 313 HG2 ARG 38 HG2 ARG 38 -3.716 -1.868 6.893 314 HG3 ARG 38 HG3 ARG 38 -4.610 -3.147 6.067 315 HD2 ARG 38 HD2 ARG 38 -4.429 -1.966 3.967 316 HD3 ARG 38 HD3 ARG 38 -3.652 -0.600 4.767 317 HE ARG 38 HE ARG 38 -2.183 -2.978 5.236 318 HH11 ARG 38 HH11 ARG 38 -2.943 -0.732 2.652 319 HH12 ARG 38 HH12 ARG 38 -1.406 -0.933 1.858 320 HH21 ARG 38 HH21 ARG 38 -0.163 -3.241 4.163 321 HH22 ARG 38 HH22 ARG 38 0.156 -2.332 2.714 322 H GLU 39 H GLU 39 -5.248 -3.739 8.643 323 HA GLU 39 HA GLU 39 -6.575 -5.818 7.267 324 HB2 GLU 39 HB2 GLU 39 -4.353 -6.031 8.352 325 HB3 GLU 39 HB3 GLU 39 -5.124 -5.898 9.924 326 HG2 GLU 39 HG2 GLU 39 -4.597 -8.195 9.420 327 HG3 GLU 39 HG3 GLU 39 -6.343 -7.969 9.503 328 H SER 40 H SER 40 -6.989 -4.380 10.463 329 HA SER 40 HA SER 40 -9.409 -5.902 10.963 330 HB2 SER 40 HB2 SER 40 -8.334 -3.612 12.610 331 HB3 SER 40 HB3 SER 40 -9.350 -4.954 13.140 332 HG SER 40 HG SER 40 -6.614 -5.033 12.351 333 H HIS 41 H HIS 41 -8.507 -2.918 9.558 334 HA HIS 41 HA HIS 41 -9.681 -1.287 8.502 335 HB2 HIS 41 HB2 HIS 41 -11.039 -3.162 7.661 336 HB3 HIS 41 HB3 HIS 41 -12.093 -3.036 9.060 337 HD1 HIS 41 HD1 HIS 41 -14.024 -1.441 8.886 338 HD2 HIS 41 HD2 HIS 41 -11.240 -0.923 5.837 339 HE1 HIS 41 HE1 HIS 41 -15.098 0.129 7.244 340 HE2 HIS 41 HE2 HIS 41 -13.492 0.234 5.309 341 H GLU 42 H GLU 42 -9.240 -1.383 11.426 342 HA GLU 42 HA GLU 42 -11.195 0.662 12.162 343 HB2 GLU 42 HB2 GLU 42 -11.402 -0.259 14.427 344 HB3 GLU 42 HB3 GLU 42 -11.988 -1.382 13.210 345 HG2 GLU 42 HG2 GLU 42 -9.939 -2.667 13.380 346 HG3 GLU 42 HG3 GLU 42 -9.304 -1.520 14.559 347 H LEU 43 H LEU 43 -10.487 2.203 13.604 348 HA LEU 43 HA LEU 43 -7.579 2.456 13.827 349 HB2 LEU 43 HB2 LEU 43 -9.099 4.280 12.882 350 HB3 LEU 43 HB3 LEU 43 -9.699 4.496 14.511 351 HG LEU 43 HG LEU 43 -6.787 4.833 13.794 352 HD11 LEU 43 HD11 LEU 43 -8.945 6.935 13.941 353 HD12 LEU 43 HD12 LEU 43 -8.148 6.377 12.470 354 HD13 LEU 43 HD13 LEU 43 -7.222 7.230 13.705 355 HD21 LEU 43 HD21 LEU 43 -8.436 5.798 16.134 356 HD22 LEU 43 HD22 LEU 43 -6.730 6.154 15.861 357 HD23 LEU 43 HD23 LEU 43 -7.246 4.497 16.172 358 H GLN 44 H GLN 44 -6.665 1.808 15.676 359 HA GLN 44 HA GLN 44 -8.401 1.459 18.025 360 HB2 GLN 44 HB2 GLN 44 -5.785 0.064 17.454 361 HB3 GLN 44 HB3 GLN 44 -6.976 -0.355 18.677 362 HG2 GLN 44 HG2 GLN 44 -8.551 -1.022 16.972 363 HG3 GLN 44 HG3 GLN 44 -7.436 -0.511 15.707 364 HE21 GLN 44 HE21 GLN 44 -5.127 -1.532 17.261 365 HE22 GLN 44 HE22 GLN 44 -5.168 -3.253 17.056 366 H SER 45 H SER 45 -7.421 1.786 20.132 367 HA SER 45 HA SER 45 -5.523 3.978 20.143 368 HB2 SER 45 HB2 SER 45 -6.013 3.889 22.661 369 HB3 SER 45 HB3 SER 45 -7.346 4.339 21.601 370 HG SER 45 HG SER 45 -7.781 2.720 23.301 371 H GLU 46 H GLU 46 -3.452 3.495 20.032 372 HA GLU 46 HA GLU 46 -2.275 1.017 20.522 373 HB2 GLU 46 HB2 GLU 46 -1.079 3.793 20.531 374 HB3 GLU 46 HB3 GLU 46 -0.122 2.324 20.611 375 HG2 GLU 46 HG2 GLU 46 -2.045 2.815 18.374 376 HG3 GLU 46 HG3 GLU 46 -0.401 3.453 18.350 377 H GLN 47 H GLN 47 -1.822 3.958 22.481 378 HA GLN 47 HA GLN 47 -2.075 2.587 24.967 379 HB2 GLN 47 HB2 GLN 47 0.289 2.887 25.692 380 HB3 GLN 47 HB3 GLN 47 0.102 1.697 24.414 381 HG2 GLN 47 HG2 GLN 47 0.716 3.565 22.802 382 HG3 GLN 47 HG3 GLN 47 1.220 4.471 24.228 383 HE21 GLN 47 HE21 GLN 47 3.025 3.783 25.397 384 HE22 GLN 47 HE22 GLN 47 4.154 2.647 24.745 385 H LEU 48 H LEU 48 -1.887 3.981 26.764 386 HA LEU 48 HA LEU 48 -1.851 6.854 26.079 387 HB2 LEU 48 HB2 LEU 48 -4.119 5.830 26.640 388 HB3 LEU 48 HB3 LEU 48 -3.504 5.558 28.255 389 HG LEU 48 HG LEU 48 -3.638 8.320 27.044 390 HD11 LEU 48 HD11 LEU 48 -5.747 8.608 28.263 391 HD12 LEU 48 HD12 LEU 48 -5.728 6.896 28.687 392 HD13 LEU 48 HD13 LEU 48 -5.881 7.385 27.000 393 HD21 LEU 48 HD21 LEU 48 -3.546 7.340 29.898 394 HD22 LEU 48 HD22 LEU 48 -3.637 9.025 29.387 395 HD23 LEU 48 HD23 LEU 48 -2.205 8.066 29.011 396 H LEU 49 H LEU 49 -0.471 8.071 27.249 397 HA LEU 49 HA LEU 49 0.436 7.019 29.827 398 HB2 LEU 49 HB2 LEU 49 2.704 7.586 29.455 399 HB3 LEU 49 HB3 LEU 49 2.186 6.635 28.084 400 HG LEU 49 HG LEU 49 2.395 9.645 28.021 401 HD11 LEU 49 HD11 LEU 49 4.378 7.566 27.103 402 HD12 LEU 49 HD12 LEU 49 4.581 8.654 28.475 403 HD13 LEU 49 HD13 LEU 49 4.505 9.305 26.836 404 HD21 LEU 49 HD21 LEU 49 2.232 7.593 25.814 405 HD22 LEU 49 HD22 LEU 49 2.375 9.340 25.609 406 HD23 LEU 49 HD23 LEU 49 0.918 8.652 26.328 407 H ASN 50 H ASN 50 0.880 8.570 31.385 408 HA ASN 50 HA ASN 50 0.018 11.293 30.717 409 HB2 ASN 50 HB2 ASN 50 -1.258 11.331 32.874 410 HB3 ASN 50 HB3 ASN 50 -1.931 10.269 31.652 411 HD21 ASN 50 HD21 ASN 50 0.885 9.390 33.591 412 HD22 ASN 50 HD22 ASN 50 0.081 8.152 34.498 413 H ASP 51 H ASP 51 0.705 12.931 32.234 414 HA ASP 51 HA ASP 51 2.070 13.931 33.754 415 HB2 ASP 51 HB2 ASP 51 1.455 12.491 35.472 416 HB3 ASP 51 HB3 ASP 51 2.163 11.084 34.696 417 H CYS 52 H CYS 52 2.982 12.230 31.221 418 HA CYS 52 HA CYS 52 5.866 12.441 31.629 419 HB2 CYS 52 HB2 CYS 52 4.346 11.352 29.247 420 HB3 CYS 52 HB3 CYS 52 6.077 11.218 29.535 421 HG CYS 52 HG CYS 52 5.046 9.901 32.166 422 H SER 53 H SER 53 7.066 13.320 29.618 423 HA SER 53 HA SER 53 5.815 15.903 28.991 424 HB2 SER 53 HB2 SER 53 8.732 15.104 28.859 425 HB3 SER 53 HB3 SER 53 8.086 16.728 28.617 426 HG SER 53 HG SER 53 8.565 15.343 30.949 427 H ILE 54 H ILE 54 6.451 16.840 26.823 428 HA ILE 54 HA ILE 54 5.534 15.186 24.766 429 HB ILE 54 HB ILE 54 5.388 17.627 24.657 430 HG12 ILE 54 HG12 ILE 54 7.026 16.532 22.358 431 HG13 ILE 54 HG13 ILE 54 5.303 16.242 22.581 432 HG21 ILE 54 HG21 ILE 54 8.372 17.545 24.240 433 HG22 ILE 54 HG22 ILE 54 7.526 18.211 25.637 434 HG23 ILE 54 HG23 ILE 54 7.355 18.973 24.056 435 HD11 ILE 54 HD11 ILE 54 5.712 17.998 20.954 436 HD12 ILE 54 HD12 ILE 54 6.601 18.925 22.163 437 HD13 ILE 54 HD13 ILE 54 4.875 18.631 22.370 438 H GLU 55 H GLU 55 8.757 15.794 25.935 439 HA GLU 55 HA GLU 55 10.272 14.717 23.858 440 HB2 GLU 55 HB2 GLU 55 10.649 15.010 26.802 441 HB3 GLU 55 HB3 GLU 55 11.798 14.034 25.897 442 HG2 GLU 55 HG2 GLU 55 11.165 16.724 24.835 443 HG3 GLU 55 HG3 GLU 55 12.126 16.633 26.306 444 H GLU 56 H GLU 56 8.660 13.121 26.586 445 HA GLU 56 HA GLU 56 9.606 10.527 25.889 446 HB2 GLU 56 HB2 GLU 56 7.311 11.389 27.649 447 HB3 GLU 56 HB3 GLU 56 7.793 9.713 27.430 448 HG2 GLU 56 HG2 GLU 56 8.941 10.158 29.318 449 HG3 GLU 56 HG3 GLU 56 10.145 10.700 28.151 450 H PHE 57 H PHE 57 6.674 12.364 25.126 451 HA PHE 57 HA PHE 57 5.132 10.259 24.159 452 HB2 PHE 57 HB2 PHE 57 5.144 13.133 23.220 453 HB3 PHE 57 HB3 PHE 57 3.858 11.965 22.928 454 HD1 PHE 57 HD1 PHE 57 3.998 10.673 25.709 455 HD2 PHE 57 HD2 PHE 57 3.838 14.716 24.405 456 HE1 PHE 57 HE1 PHE 57 2.929 11.311 27.829 457 HE2 PHE 57 HE2 PHE 57 2.772 15.361 26.525 458 HZ PHE 57 HZ PHE 57 2.318 13.655 28.241 459 H LYS 58 H LYS 58 7.674 12.088 22.571 460 HA LYS 58 HA LYS 58 7.168 10.776 20.034 461 HB2 LYS 58 HB2 LYS 58 9.023 12.127 19.187 462 HB3 LYS 58 HB3 LYS 58 7.845 13.117 20.031 463 HG2 LYS 58 HG2 LYS 58 9.630 14.018 21.024 464 HG3 LYS 58 HG3 LYS 58 9.606 12.570 22.032 465 HD2 LYS 58 HD2 LYS 58 11.236 11.500 20.616 466 HD3 LYS 58 HD3 LYS 58 11.171 12.835 19.464 467 HE2 LYS 58 HE2 LYS 58 13.098 13.299 20.690 468 HE3 LYS 58 HE3 LYS 58 11.881 14.300 21.467 469 HZ1 LYS 58 HZ1 LYS 58 13.020 13.295 23.203 470 HZ2 LYS 58 HZ2 LYS 58 13.083 11.784 22.436 471 HZ3 LYS 58 HZ3 LYS 58 11.614 12.354 23.061 472 H GLU 59 H GLU 59 9.165 10.318 22.805 473 HA GLU 59 HA GLU 59 11.136 8.762 21.312 474 HB2 GLU 59 HB2 GLU 59 11.787 10.531 22.976 475 HB3 GLU 59 HB3 GLU 59 11.154 9.485 24.237 476 HG2 GLU 59 HG2 GLU 59 12.804 7.843 23.825 477 HG3 GLU 59 HG3 GLU 59 13.310 8.636 22.332 478 H GLU 60 H GLU 60 8.367 8.289 23.233 479 HA GLU 60 HA GLU 60 9.063 5.826 24.449 480 HB2 GLU 60 HB2 GLU 60 6.524 7.317 24.018 481 HB3 GLU 60 HB3 GLU 60 6.418 5.611 24.432 482 HG2 GLU 60 HG2 GLU 60 7.776 7.768 26.031 483 HG3 GLU 60 HG3 GLU 60 6.260 6.951 26.422 484 H LEU 61 H LEU 61 7.756 6.636 21.306 485 HA LEU 61 HA LEU 61 7.585 3.756 20.762 486 HB2 LEU 61 HB2 LEU 61 5.376 5.161 21.023 487 HB3 LEU 61 HB3 LEU 61 5.747 5.660 19.383 488 HG LEU 61 HG LEU 61 5.806 3.237 18.734 489 HD11 LEU 61 HD11 LEU 61 4.766 1.626 20.252 490 HD12 LEU 61 HD12 LEU 61 4.667 2.867 21.501 491 HD13 LEU 61 HD13 LEU 61 6.241 2.304 20.941 492 HD21 LEU 61 HD21 LEU 61 3.251 4.357 19.883 493 HD22 LEU 61 HD22 LEU 61 3.337 2.962 18.807 494 HD23 LEU 61 HD23 LEU 61 3.853 4.549 18.236 495 HA PRO 62 HA PRO 62 10.169 5.100 17.262 496 HB2 PRO 62 HB2 PRO 62 11.341 2.662 16.997 497 HB3 PRO 62 HB3 PRO 62 11.956 3.895 18.103 498 HG2 PRO 62 HG2 PRO 62 10.276 1.493 18.686 499 HG3 PRO 62 HG3 PRO 62 11.626 2.172 19.614 500 HD2 PRO 62 HD2 PRO 62 9.003 2.566 20.262 501 HD3 PRO 62 HD3 PRO 62 10.291 3.721 20.653 502 H SER 63 H SER 63 7.853 5.121 16.538 503 HA SER 63 HA SER 63 6.313 2.907 16.022 504 HB2 SER 63 HB2 SER 63 6.291 5.604 14.666 505 HB3 SER 63 HB3 SER 63 5.010 4.401 14.509 506 HG SER 63 HG SER 63 5.264 6.206 16.400 507 H GLN 64 H GLN 64 8.848 4.229 14.022 508 HA GLN 64 HA GLN 64 9.563 3.830 11.898 509 HB2 GLN 64 HB2 GLN 64 10.018 1.429 11.430 510 HB3 GLN 64 HB3 GLN 64 10.566 1.959 13.009 511 HG2 GLN 64 HG2 GLN 64 8.356 0.982 13.877 512 HG3 GLN 64 HG3 GLN 64 8.273 0.163 12.319 513 HE21 GLN 64 HE21 GLN 64 8.434 -1.863 13.302 514 HE22 GLN 64 HE22 GLN 64 9.931 -2.439 13.968 515 H GLN 65 H GLN 65 6.758 4.349 12.144 516 HA GLN 65 HA GLN 65 5.824 3.526 9.536 517 HB2 GLN 65 HB2 GLN 65 4.294 2.852 12.071 518 HB3 GLN 65 HB3 GLN 65 3.621 2.768 10.453 519 HG2 GLN 65 HG2 GLN 65 5.108 0.973 9.872 520 HG3 GLN 65 HG3 GLN 65 5.947 1.123 11.418 521 HE21 GLN 65 HE21 GLN 65 4.569 -1.178 10.286 522 HE22 GLN 65 HE22 GLN 65 3.336 -1.598 11.423 523 HA PRO 66 HA PRO 66 3.817 7.515 10.091 524 HB2 PRO 66 HB2 PRO 66 1.435 6.712 8.628 525 HB3 PRO 66 HB3 PRO 66 2.729 7.799 8.119 526 HG2 PRO 66 HG2 PRO 66 2.311 5.352 7.006 527 HG3 PRO 66 HG3 PRO 66 3.905 6.125 7.089 528 HD2 PRO 66 HD2 PRO 66 2.742 3.981 8.829 529 HD3 PRO 66 HD3 PRO 66 4.391 4.136 8.183 530 H ARG 67 H ARG 67 3.531 6.584 12.411 531 HA ARG 67 HA ARG 67 0.710 6.008 12.992 532 HB2 ARG 67 HB2 ARG 67 3.137 4.936 13.984 533 HB3 ARG 67 HB3 ARG 67 2.403 5.833 15.308 534 HG2 ARG 67 HG2 ARG 67 0.331 4.565 15.008 535 HG3 ARG 67 HG3 ARG 67 1.085 3.661 13.694 536 HD2 ARG 67 HD2 ARG 67 2.133 3.728 16.520 537 HD3 ARG 67 HD3 ARG 67 1.063 2.476 15.896 538 HE ARG 67 HE ARG 67 3.349 2.742 14.243 539 HH11 ARG 67 HH11 ARG 67 2.282 1.413 17.312 540 HH12 ARG 67 HH12 ARG 67 3.578 0.256 17.391 541 HH21 ARG 67 HH21 ARG 67 5.042 1.186 14.354 542 HH22 ARG 67 HH22 ARG 67 5.129 0.120 15.728 543 H PHE 68 H PHE 68 -0.330 7.154 14.780 544 HA PHE 68 HA PHE 68 0.848 9.835 15.033 545 HB2 PHE 68 HB2 PHE 68 -1.497 10.754 14.889 546 HB3 PHE 68 HB3 PHE 68 -0.794 10.157 13.399 547 HD1 PHE 68 HD1 PHE 68 -1.369 7.513 13.020 548 HD2 PHE 68 HD2 PHE 68 -3.708 10.318 15.205 549 HE1 PHE 68 HE1 PHE 68 -3.376 6.157 12.604 550 HE2 PHE 68 HE2 PHE 68 -5.719 8.958 14.795 551 HZ PHE 68 HZ PHE 68 -5.553 6.877 13.498 552 H ILE 69 H ILE 69 0.470 11.002 16.823 553 HA ILE 69 HA ILE 69 -0.605 9.480 19.098 554 HB ILE 69 HB ILE 69 1.717 9.424 19.414 555 HG12 ILE 69 HG12 ILE 69 0.268 10.567 21.319 556 HG13 ILE 69 HG13 ILE 69 2.011 10.402 21.470 557 HG21 ILE 69 HG21 ILE 69 2.366 10.933 17.650 558 HG22 ILE 69 HG22 ILE 69 3.217 11.343 19.140 559 HG23 ILE 69 HG23 ILE 69 1.849 12.321 18.610 560 HD11 ILE 69 HD11 ILE 69 2.311 12.706 20.768 561 HD12 ILE 69 HD12 ILE 69 1.236 12.609 22.164 562 HD13 ILE 69 HD13 ILE 69 0.570 12.879 20.553 563 H LEU 70 H LEU 70 -2.151 10.475 20.230 564 HA LEU 70 HA LEU 70 -2.704 13.283 19.629 565 HB2 LEU 70 HB2 LEU 70 -4.466 11.397 19.530 566 HB3 LEU 70 HB3 LEU 70 -4.434 11.451 21.280 567 HG LEU 70 HG LEU 70 -5.054 13.889 19.617 568 HD11 LEU 70 HD11 LEU 70 -6.996 11.879 20.755 569 HD12 LEU 70 HD12 LEU 70 -6.663 12.144 19.043 570 HD13 LEU 70 HD13 LEU 70 -7.419 13.417 20.001 571 HD21 LEU 70 HD21 LEU 70 -4.415 14.273 21.956 572 HD22 LEU 70 HD22 LEU 70 -5.688 13.170 22.479 573 HD23 LEU 70 HD23 LEU 70 -6.107 14.677 21.666 574 H LEU 71 H LEU 71 -1.789 14.704 20.897 575 HA LEU 71 HA LEU 71 -1.176 14.016 23.685 576 HB2 LEU 71 HB2 LEU 71 0.754 14.710 22.420 577 HB3 LEU 71 HB3 LEU 71 -0.086 16.115 21.806 578 HG LEU 71 HG LEU 71 0.486 15.850 24.745 579 HD11 LEU 71 HD11 LEU 71 2.335 16.979 22.643 580 HD12 LEU 71 HD12 LEU 71 2.601 15.490 23.550 581 HD13 LEU 71 HD13 LEU 71 2.579 17.041 24.388 582 HD21 LEU 71 HD21 LEU 71 0.220 18.234 22.910 583 HD22 LEU 71 HD22 LEU 71 0.472 18.283 24.655 584 HD23 LEU 71 HD23 LEU 71 -1.031 17.636 24.000 585 H SER 72 H SER 72 -1.990 15.213 25.361 586 HA SER 72 HA SER 72 -3.754 17.461 24.648 587 HB2 SER 72 HB2 SER 72 -5.041 15.471 25.428 588 HB3 SER 72 HB3 SER 72 -4.138 15.510 26.941 589 HG SER 72 HG SER 72 -5.676 16.798 27.558 590 H TRP 73 H TRP 73 -2.893 19.290 25.336 591 HA TRP 73 HA TRP 73 -1.151 19.212 27.706 592 HB2 TRP 73 HB2 TRP 73 0.158 19.860 25.828 593 HB3 TRP 73 HB3 TRP 73 -1.090 20.950 25.238 594 HD1 TRP 73 HD1 TRP 73 -0.566 23.400 25.649 595 HE1 TRP 73 HE1 TRP 73 0.811 24.749 27.354 596 HE3 TRP 73 HE3 TRP 73 1.043 19.569 28.623 597 HZ2 TRP 73 HZ2 TRP 73 2.374 24.258 29.646 598 HZ3 TRP 73 HZ3 TRP 73 2.475 20.094 30.550 599 HH2 TRP 73 HH2 TRP 73 3.127 22.391 31.051 600 H CYS 74 H CYS 74 -1.686 20.395 29.421 601 HA CYS 74 HA CYS 74 -4.130 21.847 29.502 602 HB2 CYS 74 HB2 CYS 74 -3.135 22.561 31.802 603 HB3 CYS 74 HB3 CYS 74 -3.594 20.881 31.542 604 HG CYS 74 HG CYS 74 -0.647 22.153 32.325 605 H LYS 75 H LYS 75 -4.102 23.523 28.070 606 HA LYS 75 HA LYS 75 -2.110 25.641 28.548 607 HB2 LYS 75 HB2 LYS 75 -1.853 24.432 26.358 608 HB3 LYS 75 HB3 LYS 75 -3.453 25.002 25.915 609 HG2 LYS 75 HG2 LYS 75 -1.369 26.985 26.696 610 HG3 LYS 75 HG3 LYS 75 -1.309 26.247 25.096 611 HD2 LYS 75 HD2 LYS 75 -3.686 27.706 26.249 612 HD3 LYS 75 HD3 LYS 75 -2.521 28.402 25.122 613 HE2 LYS 75 HE2 LYS 75 -4.274 26.006 24.572 614 HE3 LYS 75 HE3 LYS 75 -4.583 27.644 24.003 615 HZ1 LYS 75 HZ1 LYS 75 -2.333 27.476 22.889 616 HZ2 LYS 75 HZ2 LYS 75 -3.564 26.531 22.228 617 HZ3 LYS 75 HZ3 LYS 75 -2.389 25.810 23.202 618 H LYS 76 H LYS 76 -3.048 27.263 29.537 619 HA LYS 76 HA LYS 76 -5.899 27.652 29.471 620 HB2 LYS 76 HB2 LYS 76 -4.695 27.975 31.557 621 HB3 LYS 76 HB3 LYS 76 -3.702 29.221 30.820 622 HG2 LYS 76 HG2 LYS 76 -5.596 30.675 30.585 623 HG3 LYS 76 HG3 LYS 76 -6.682 29.410 31.162 624 HD2 LYS 76 HD2 LYS 76 -4.432 30.598 32.770 625 HD3 LYS 76 HD3 LYS 76 -6.116 31.111 32.887 626 HE2 LYS 76 HE2 LYS 76 -6.729 28.801 33.526 627 HE3 LYS 76 HE3 LYS 76 -5.023 28.363 33.485 628 HZ1 LYS 76 HZ1 LYS 76 -5.659 28.812 35.725 629 HZ2 LYS 76 HZ2 LYS 76 -6.311 30.321 35.308 630 HZ3 LYS 76 HZ3 LYS 76 -4.636 30.063 35.212 631 H HIS 77 H HIS 77 -7.023 28.995 28.294 632 HA HIS 77 HA HIS 77 -5.812 30.797 26.415 633 HB2 HIS 77 HB2 HIS 77 -8.235 29.571 26.542 634 HB3 HIS 77 HB3 HIS 77 -8.661 31.137 27.218 635 HD1 HIS 77 HD1 HIS 77 -10.047 31.944 25.264 636 HD2 HIS 77 HD2 HIS 77 -6.201 30.809 24.172 637 HE1 HIS 77 HE1 HIS 77 -9.810 32.597 22.850 638 HE2 HIS 77 HE2 HIS 77 -7.388 32.161 22.309 639 H SER 78 H SER 78 -5.334 32.947 26.790 640 HA SER 78 HA SER 78 -4.809 33.685 29.425 641 HB2 SER 78 HB2 SER 78 -4.939 35.434 26.965 642 HB3 SER 78 HB3 SER 78 -4.165 35.872 28.489 643 HG SER 78 HG SER 78 -3.104 33.610 27.966 644 H ASP 79 H ASP 79 -7.750 33.788 27.868 645 HA ASP 79 HA ASP 79 -8.772 36.074 29.344 646 HB2 ASP 79 HB2 ASP 79 -10.968 35.178 28.127 647 HB3 ASP 79 HB3 ASP 79 -9.780 36.180 27.302 648 H GLU 80 H GLU 80 -7.849 33.760 30.783 649 HA GLU 80 HA GLU 80 -8.341 33.372 32.974 650 HB2 GLU 80 HB2 GLU 80 -11.116 34.292 32.283 651 HB3 GLU 80 HB3 GLU 80 -10.603 33.814 33.893 652 HG2 GLU 80 HG2 GLU 80 -8.946 35.625 33.880 653 HG3 GLU 80 HG3 GLU 80 -9.524 36.116 32.286 654 H ARG 81 H ARG 81 -9.120 31.476 30.510 655 HA ARG 81 HA ARG 81 -10.061 29.492 32.427 656 HB2 ARG 81 HB2 ARG 81 -11.978 28.948 31.415 657 HB3 ARG 81 HB3 ARG 81 -11.847 30.523 30.658 658 HG2 ARG 81 HG2 ARG 81 -10.630 28.151 29.327 659 HG3 ARG 81 HG3 ARG 81 -12.373 28.400 29.253 660 HD2 ARG 81 HD2 ARG 81 -11.936 30.686 28.365 661 HD3 ARG 81 HD3 ARG 81 -10.220 30.279 28.301 662 HE ARG 81 HE ARG 81 -11.134 28.317 26.845 663 HH11 ARG 81 HH11 ARG 81 -12.268 31.629 26.859 664 HH12 ARG 81 HH12 ARG 81 -12.811 31.583 25.207 665 HH21 ARG 81 HH21 ARG 81 -11.836 28.245 24.684 666 HH22 ARG 81 HH22 ARG 81 -12.516 29.673 23.953 667 H ILE 82 H ILE 82 -8.905 27.775 32.496 668 HA ILE 82 HA ILE 82 -6.872 27.311 30.508 669 HB ILE 82 HB ILE 82 -6.382 26.932 32.895 670 HG12 ILE 82 HG12 ILE 82 -6.234 24.393 31.256 671 HG13 ILE 82 HG13 ILE 82 -5.113 25.743 31.126 672 HG21 ILE 82 HG21 ILE 82 -7.265 24.958 34.045 673 HG22 ILE 82 HG22 ILE 82 -8.323 24.636 32.671 674 HG23 ILE 82 HG23 ILE 82 -8.542 26.101 33.630 675 HD11 ILE 82 HD11 ILE 82 -5.535 24.029 33.564 676 HD12 ILE 82 HD12 ILE 82 -4.414 25.384 33.433 677 HD13 ILE 82 HD13 ILE 82 -4.171 23.941 32.448 678 H SER 83 H SER 83 -6.826 25.773 28.992 679 HA SER 83 HA SER 83 -9.131 23.961 28.818 680 HB2 SER 83 HB2 SER 83 -7.869 25.443 26.494 681 HB3 SER 83 HB3 SER 83 -9.267 24.367 26.420 682 HG SER 83 HG SER 83 -9.888 26.106 28.233 683 H TYR 84 H TYR 84 -8.652 22.164 27.202 684 HA TYR 84 HA TYR 84 -5.801 21.441 27.346 685 HB2 TYR 84 HB2 TYR 84 -8.191 19.578 27.337 686 HB3 TYR 84 HB3 TYR 84 -6.505 19.081 27.373 687 HD1 TYR 84 HD1 TYR 84 -5.199 19.264 29.425 688 HD2 TYR 84 HD2 TYR 84 -9.271 20.499 29.300 689 HE1 TYR 84 HE1 TYR 84 -5.261 19.292 31.885 690 HE2 TYR 84 HE2 TYR 84 -9.345 20.529 31.755 691 HH TYR 84 HH TYR 84 -6.518 20.258 33.695 692 HA PRO 85 HA PRO 85 -6.694 21.793 22.813 693 HB2 PRO 85 HB2 PRO 85 -4.017 22.276 22.310 694 HB3 PRO 85 HB3 PRO 85 -5.249 23.528 22.501 695 HG2 PRO 85 HG2 PRO 85 -3.273 22.495 24.485 696 HG3 PRO 85 HG3 PRO 85 -3.836 24.156 24.219 697 HD2 PRO 85 HD2 PRO 85 -4.740 22.677 26.267 698 HD3 PRO 85 HD3 PRO 85 -5.796 23.816 25.404 699 H MET 86 H MET 86 -6.985 19.755 22.234 700 HA MET 86 HA MET 86 -4.848 17.800 22.668 701 HB2 MET 86 HB2 MET 86 -7.691 17.398 21.712 702 HB3 MET 86 HB3 MET 86 -6.544 16.127 22.099 703 HG2 MET 86 HG2 MET 86 -6.832 16.343 24.323 704 HG3 MET 86 HG3 MET 86 -7.103 18.085 24.230 705 HE1 MET 86 HE1 MET 86 -9.343 19.229 23.850 706 HE2 MET 86 HE2 MET 86 -10.810 18.419 23.302 707 HE3 MET 86 HE3 MET 86 -9.412 18.529 22.233 708 H LEU 87 H LEU 87 -3.712 16.990 20.992 709 HA LEU 87 HA LEU 87 -4.713 17.420 18.306 710 HB2 LEU 87 HB2 LEU 87 -2.459 18.247 17.543 711 HB3 LEU 87 HB3 LEU 87 -3.458 19.375 18.418 712 HG LEU 87 HG LEU 87 -1.106 19.631 18.974 713 HD11 LEU 87 HD11 LEU 87 -1.236 19.515 21.417 714 HD12 LEU 87 HD12 LEU 87 -2.719 18.569 21.276 715 HD13 LEU 87 HD13 LEU 87 -2.675 20.229 20.685 716 HD21 LEU 87 HD21 LEU 87 -0.333 17.377 18.592 717 HD22 LEU 87 HD22 LEU 87 -1.224 16.811 20.005 718 HD23 LEU 87 HD23 LEU 87 0.124 17.929 20.204 719 H LEU 88 H LEU 88 -3.978 16.011 16.774 720 HA LEU 88 HA LEU 88 -2.342 13.817 17.844 721 HB2 LEU 88 HB2 LEU 88 -3.464 12.319 16.252 722 HB3 LEU 88 HB3 LEU 88 -4.579 13.022 17.404 723 HG LEU 88 HG LEU 88 -4.640 14.726 15.181 724 HD11 LEU 88 HD11 LEU 88 -5.219 13.222 13.347 725 HD12 LEU 88 HD12 LEU 88 -4.780 11.834 14.342 726 HD13 LEU 88 HD13 LEU 88 -3.545 12.996 13.855 727 HD21 LEU 88 HD21 LEU 88 -6.545 12.551 16.026 728 HD22 LEU 88 HD22 LEU 88 -6.935 13.932 15.001 729 HD23 LEU 88 HD23 LEU 88 -6.484 14.184 16.687 730 H ILE 89 H ILE 89 -0.381 13.962 17.123 731 HA ILE 89 HA ILE 89 0.072 15.173 14.500 732 HB ILE 89 HB ILE 89 2.058 14.524 16.674 733 HG12 ILE 89 HG12 ILE 89 0.953 17.182 15.762 734 HG13 ILE 89 HG13 ILE 89 0.490 16.351 17.243 735 HG21 ILE 89 HG21 ILE 89 3.067 14.412 14.460 736 HG22 ILE 89 HG22 ILE 89 3.648 15.822 15.345 737 HG23 ILE 89 HG23 ILE 89 2.431 16.014 14.082 738 HD11 ILE 89 HD11 ILE 89 2.774 16.558 18.074 739 HD12 ILE 89 HD12 ILE 89 2.087 18.134 17.679 740 HD13 ILE 89 HD13 ILE 89 3.243 17.375 16.584 741 H TYR 90 H TYR 90 0.077 13.804 12.875 742 HA TYR 90 HA TYR 90 1.043 11.086 13.307 743 HB2 TYR 90 HB2 TYR 90 0.090 10.595 11.057 744 HB3 TYR 90 HB3 TYR 90 -1.100 11.152 12.217 745 HD1 TYR 90 HD1 TYR 90 0.159 11.521 8.944 746 HD2 TYR 90 HD2 TYR 90 -1.702 13.713 12.082 747 HE1 TYR 90 HE1 TYR 90 -0.626 13.181 7.312 748 HE2 TYR 90 HE2 TYR 90 -2.486 15.383 10.455 749 HH TYR 90 HH TYR 90 -1.718 16.197 8.129 750 H TYR 91 H TYR 91 3.092 10.790 13.043 751 HA TYR 91 HA TYR 91 4.526 12.413 11.068 752 HB2 TYR 91 HB2 TYR 91 6.580 11.722 12.349 753 HB3 TYR 91 HB3 TYR 91 5.453 12.722 13.254 754 HD1 TYR 91 HD1 TYR 91 7.033 9.454 12.999 755 HD2 TYR 91 HD2 TYR 91 4.110 11.738 15.080 756 HE1 TYR 91 HE1 TYR 91 7.005 7.774 14.790 757 HE2 TYR 91 HE2 TYR 91 4.078 10.063 16.880 758 HH TYR 91 HH TYR 91 6.403 7.809 17.341 759 H CYS 92 H CYS 92 5.578 11.481 9.414 760 HA CYS 92 HA CYS 92 5.519 8.544 9.291 761 HB2 CYS 92 HB2 CYS 92 5.517 8.939 6.752 762 HB3 CYS 92 HB3 CYS 92 4.024 9.260 7.625 763 HG CYS 92 HG CYS 92 5.641 11.231 5.628 764 HA PRO 93 HA PRO 93 9.916 9.658 8.979 765 HB2 PRO 93 HB2 PRO 93 10.805 8.318 11.094 766 HB3 PRO 93 HB3 PRO 93 9.875 9.806 11.306 767 HG2 PRO 93 HG2 PRO 93 9.044 6.984 11.714 768 HG3 PRO 93 HG3 PRO 93 8.505 8.446 12.553 769 HD2 PRO 93 HD2 PRO 93 7.210 7.107 10.394 770 HD3 PRO 93 HD3 PRO 93 6.739 8.641 11.151 771 H ASN 94 H ASN 94 11.699 7.645 9.851 772 HA ASN 94 HA ASN 94 12.083 6.062 7.619 773 HB2 ASN 94 HB2 ASN 94 13.724 6.586 9.463 774 HB3 ASN 94 HB3 ASN 94 12.919 5.370 10.443 775 HD21 ASN 94 HD21 ASN 94 15.656 5.546 9.488 776 HD22 ASN 94 HD22 ASN 94 15.957 4.088 8.605 777 H GLY 95 H GLY 95 10.889 4.450 6.816 778 HA2 GLY 95 HA2 GLY 95 10.237 2.115 7.175 779 HA3 GLY 95 HA3 GLY 95 9.605 2.606 8.738 780 H SER 96 H SER 96 8.690 5.096 6.978 781 HA SER 96 HA SER 96 6.011 4.102 6.669 782 HB2 SER 96 HB2 SER 96 7.143 6.809 5.935 783 HB3 SER 96 HB3 SER 96 5.439 6.402 6.155 784 HG SER 96 HG SER 96 7.475 6.701 8.059 785 H SER 97 H SER 97 5.324 3.077 4.921 786 HA SER 97 HA SER 97 6.626 3.432 2.352 787 HB2 SER 97 HB2 SER 97 4.253 1.695 3.093 788 HB3 SER 97 HB3 SER 97 5.203 1.594 1.610 789 HG SER 97 HG SER 97 6.601 0.407 2.631 790 HA PRO 98 HA PRO 98 3.935 6.380 0.457 791 HB2 PRO 98 HB2 PRO 98 3.262 4.318 -1.594 792 HB3 PRO 98 HB3 PRO 98 3.836 5.977 -1.811 793 HG2 PRO 98 HG2 PRO 98 5.490 3.927 -2.157 794 HG3 PRO 98 HG3 PRO 98 6.044 5.412 -1.360 795 HD2 PRO 98 HD2 PRO 98 5.347 2.765 -0.172 796 HD3 PRO 98 HD3 PRO 98 6.606 3.921 0.306 797 H GLU 99 H GLU 99 2.433 3.150 0.043 798 HA GLU 99 HA GLU 99 -0.203 4.154 0.194 799 HB2 GLU 99 HB2 GLU 99 -0.877 1.775 0.460 800 HB3 GLU 99 HB3 GLU 99 0.167 2.068 -0.922 801 HG2 GLU 99 HG2 GLU 99 2.056 1.155 0.247 802 HG3 GLU 99 HG3 GLU 99 1.108 0.989 1.725 803 H LEU 100 H LEU 100 2.076 3.155 2.609 804 HA LEU 100 HA LEU 100 0.293 2.762 4.767 805 HB2 LEU 100 HB2 LEU 100 3.183 3.357 4.495 806 HB3 LEU 100 HB3 LEU 100 2.457 3.635 6.053 807 HG LEU 100 HG LEU 100 3.626 1.399 5.677 808 HD11 LEU 100 HD11 LEU 100 1.964 0.198 7.002 809 HD12 LEU 100 HD12 LEU 100 0.770 1.441 6.627 810 HD13 LEU 100 HD13 LEU 100 2.200 1.849 7.578 811 HD21 LEU 100 HD21 LEU 100 2.707 0.893 3.476 812 HD22 LEU 100 HD22 LEU 100 1.082 0.839 4.157 813 HD23 LEU 100 HD23 LEU 100 2.281 -0.359 4.644 814 H GLN 101 H GLN 101 1.994 5.622 3.542 815 HA GLN 101 HA GLN 101 1.105 7.405 5.534 816 HB2 GLN 101 HB2 GLN 101 1.878 7.930 2.665 817 HB3 GLN 101 HB3 GLN 101 1.560 9.193 3.844 818 HG2 GLN 101 HG2 GLN 101 3.392 8.204 5.243 819 HG3 GLN 101 HG3 GLN 101 3.778 7.174 3.865 820 HE21 GLN 101 HE21 GLN 101 5.805 8.084 3.586 821 HE22 GLN 101 HE22 GLN 101 6.028 9.679 2.962 822 H MET 102 H MET 102 -0.211 6.607 2.342 823 HA MET 102 HA MET 102 -2.439 8.331 2.474 824 HB2 MET 102 HB2 MET 102 -2.178 5.715 0.978 825 HB3 MET 102 HB3 MET 102 -3.348 6.984 0.645 826 HG2 MET 102 HG2 MET 102 -0.362 7.269 0.404 827 HG3 MET 102 HG3 MET 102 -1.467 6.970 -0.935 828 HE1 MET 102 HE1 MET 102 -0.358 9.091 -2.154 829 HE2 MET 102 HE2 MET 102 0.670 9.392 -0.753 830 HE3 MET 102 HE3 MET 102 -0.297 10.700 -1.436 831 H LEU 103 H LEU 103 -1.854 5.093 3.608 832 HA LEU 103 HA LEU 103 -4.451 4.335 4.322 833 HB2 LEU 103 HB2 LEU 103 -2.868 2.638 4.279 834 HB3 LEU 103 HB3 LEU 103 -1.686 3.571 5.167 835 HG LEU 103 HG LEU 103 -2.921 3.200 7.237 836 HD11 LEU 103 HD11 LEU 103 -4.792 1.591 7.279 837 HD12 LEU 103 HD12 LEU 103 -4.777 1.550 5.516 838 HD13 LEU 103 HD13 LEU 103 -5.189 3.043 6.360 839 HD21 LEU 103 HD21 LEU 103 -2.498 0.800 7.444 840 HD22 LEU 103 HD22 LEU 103 -1.191 1.628 6.599 841 HD23 LEU 103 HD23 LEU 103 -2.366 0.679 5.689 842 H TYR 104 H TYR 104 -1.912 5.882 6.302 843 HA TYR 104 HA TYR 104 -3.732 6.110 8.531 844 HB2 TYR 104 HB2 TYR 104 -0.865 6.929 8.126 845 HB3 TYR 104 HB3 TYR 104 -1.760 7.333 9.587 846 HD1 TYR 104 HD1 TYR 104 -2.447 5.587 11.147 847 HD2 TYR 104 HD2 TYR 104 -0.157 4.652 7.688 848 HE1 TYR 104 HE1 TYR 104 -1.903 3.392 12.105 849 HE2 TYR 104 HE2 TYR 104 0.383 2.447 8.635 850 HH TYR 104 HH TYR 104 -1.253 1.078 11.148 851 H ALA 105 H ALA 105 -2.166 8.372 6.270 852 HA ALA 105 HA ALA 105 -3.281 10.689 7.502 853 HB1 ALA 105 HB1 ALA 105 -1.259 10.799 6.132 854 HB2 ALA 105 HB2 ALA 105 -2.505 11.897 5.540 855 HB3 ALA 105 HB3 ALA 105 -2.204 10.374 4.703 856 H GLY 106 H GLY 106 -4.546 8.322 5.400 857 HA2 GLY 106 HA2 GLY 106 -6.598 9.975 4.243 858 HA3 GLY 106 HA3 GLY 106 -6.491 8.222 4.156 859 H SER 107 H SER 107 -6.288 7.993 7.115 860 HA SER 107 HA SER 107 -9.166 8.262 7.615 861 HB2 SER 107 HB2 SER 107 -7.209 6.418 8.972 862 HB3 SER 107 HB3 SER 107 -8.965 6.398 9.132 863 HG SER 107 HG SER 107 -7.356 5.624 6.955 864 H ARG 108 H ARG 108 -6.453 9.909 8.353 865 HA ARG 108 HA ARG 108 -6.665 10.158 11.170 866 HB2 ARG 108 HB2 ARG 108 -5.145 12.099 10.933 867 HB3 ARG 108 HB3 ARG 108 -4.556 10.657 10.125 868 HG2 ARG 108 HG2 ARG 108 -4.092 12.218 8.541 869 HG3 ARG 108 HG3 ARG 108 -5.715 11.754 8.034 870 HD2 ARG 108 HD2 ARG 108 -6.626 13.693 9.254 871 HD3 ARG 108 HD3 ARG 108 -4.985 14.162 9.705 872 HE ARG 108 HE ARG 108 -5.534 13.885 6.855 873 HH11 ARG 108 HH11 ARG 108 -5.196 16.056 9.591 874 HH12 ARG 108 HH12 ARG 108 -4.925 17.455 8.609 875 HH21 ARG 108 HH21 ARG 108 -5.179 15.720 5.564 876 HH22 ARG 108 HH22 ARG 108 -4.887 17.265 6.308 877 H ASN 109 H ASN 109 -8.379 11.674 8.567 878 HA ASN 109 HA ASN 109 -9.137 13.994 10.085 879 HB2 ASN 109 HB2 ASN 109 -10.519 14.602 8.239 880 HB3 ASN 109 HB3 ASN 109 -9.056 13.902 7.559 881 HD21 ASN 109 HD21 ASN 109 -12.471 13.588 7.954 882 HD22 ASN 109 HD22 ASN 109 -12.675 12.209 6.921 883 H PHE 110 H PHE 110 -10.305 10.775 9.741 884 HA PHE 110 HA PHE 110 -13.005 11.276 10.479 885 HB2 PHE 110 HB2 PHE 110 -11.370 8.732 10.442 886 HB3 PHE 110 HB3 PHE 110 -13.100 8.785 10.774 887 HD1 PHE 110 HD1 PHE 110 -14.613 9.788 8.992 888 HD2 PHE 110 HD2 PHE 110 -10.587 8.630 8.250 889 HE1 PHE 110 HE1 PHE 110 -15.086 9.707 6.581 890 HE2 PHE 110 HE2 PHE 110 -11.052 8.552 5.836 891 HZ PHE 110 HZ PHE 110 -13.305 9.093 4.999 892 H ILE 111 H ILE 111 -10.102 10.326 12.258 893 HA ILE 111 HA ILE 111 -11.494 9.923 14.708 894 HB ILE 111 HB ILE 111 -9.316 8.875 14.285 895 HG12 ILE 111 HG12 ILE 111 -10.222 9.533 16.637 896 HG13 ILE 111 HG13 ILE 111 -8.584 8.937 16.473 897 HG21 ILE 111 HG21 ILE 111 -8.202 11.662 14.476 898 HG22 ILE 111 HG22 ILE 111 -8.203 10.611 13.059 899 HG23 ILE 111 HG23 ILE 111 -7.244 10.182 14.476 900 HD11 ILE 111 HD11 ILE 111 -7.738 11.223 16.583 901 HD12 ILE 111 HD12 ILE 111 -8.687 10.802 18.008 902 HD13 ILE 111 HD13 ILE 111 -9.390 11.819 16.749 903 H VAL 112 H VAL 112 -9.905 12.673 13.189 904 HA VAL 112 HA VAL 112 -9.980 14.469 15.343 905 HB VAL 112 HB VAL 112 -10.283 15.074 12.390 906 HG11 VAL 112 HG11 VAL 112 -11.051 16.931 13.789 907 HG12 VAL 112 HG12 VAL 112 -9.556 17.337 12.947 908 HG13 VAL 112 HG13 VAL 112 -9.516 16.913 14.659 909 HG21 VAL 112 HG21 VAL 112 -7.878 15.594 12.496 910 HG22 VAL 112 HG22 VAL 112 -8.219 13.902 12.857 911 HG23 VAL 112 HG23 VAL 112 -7.844 15.025 14.165 912 H ASN 113 H ASN 113 -12.419 13.282 13.214 913 HA ASN 113 HA ASN 113 -14.315 15.378 13.876 914 HB2 ASN 113 HB2 ASN 113 -14.343 14.560 11.600 915 HB3 ASN 113 HB3 ASN 113 -14.576 12.905 12.152 916 HD21 ASN 113 HD21 ASN 113 -16.593 12.188 12.572 917 HD22 ASN 113 HD22 ASN 113 -18.021 13.149 12.378 918 H GLU 114 H GLU 114 -13.762 11.984 14.600 919 HA GLU 114 HA GLU 114 -16.145 11.358 15.872 920 HB2 GLU 114 HB2 GLU 114 -13.702 10.082 15.492 921 HB3 GLU 114 HB3 GLU 114 -13.849 10.204 17.231 922 HG2 GLU 114 HG2 GLU 114 -15.895 8.980 15.395 923 HG3 GLU 114 HG3 GLU 114 -14.733 8.093 16.380 924 H CYS 115 H CYS 115 -13.132 12.430 17.373 925 HA CYS 115 HA CYS 115 -14.455 12.742 19.929 926 HB2 CYS 115 HB2 CYS 115 -11.616 13.509 19.265 927 HB3 CYS 115 HB3 CYS 115 -12.280 13.028 20.824 928 HG CYS 115 HG CYS 115 -10.862 11.180 18.514 929 H HIS 116 H HIS 116 -14.034 14.639 17.207 930 HA HIS 116 HA HIS 116 -13.778 16.829 16.722 931 HB2 HIS 116 HB2 HIS 116 -15.434 16.884 19.184 932 HB3 HIS 116 HB3 HIS 116 -14.658 18.397 18.725 933 HD1 HIS 116 HD1 HIS 116 -15.218 19.265 16.251 934 HD2 HIS 116 HD2 HIS 116 -17.700 16.288 17.767 935 HE1 HIS 116 HE1 HIS 116 -17.276 19.291 14.804 936 HE2 HIS 116 HE2 HIS 116 -18.830 17.606 15.844 937 H VAL 117 H VAL 117 -11.538 16.026 17.053 938 HA VAL 117 HA VAL 117 -9.996 16.780 19.298 939 HB VAL 117 HB VAL 117 -8.996 16.536 16.460 940 HG11 VAL 117 HG11 VAL 117 -6.906 15.847 17.520 941 HG12 VAL 117 HG12 VAL 117 -7.633 16.086 19.110 942 HG13 VAL 117 HG13 VAL 117 -7.388 17.463 18.037 943 HG21 VAL 117 HG21 VAL 117 -8.612 14.180 16.931 944 HG22 VAL 117 HG22 VAL 117 -10.327 14.578 17.029 945 HG23 VAL 117 HG23 VAL 117 -9.388 14.359 18.506 946 H SER 118 H SER 118 -8.656 18.571 19.653 947 HA SER 118 HA SER 118 -9.752 21.043 18.779 948 HB2 SER 118 HB2 SER 118 -8.802 20.707 21.043 949 HB3 SER 118 HB3 SER 118 -7.202 20.524 20.328 950 HG SER 118 HG SER 118 -8.787 22.835 19.900 951 H LYS 119 H LYS 119 -6.764 19.292 18.090 952 HA LYS 119 HA LYS 119 -6.472 20.685 15.585 953 HB2 LYS 119 HB2 LYS 119 -3.964 21.147 16.359 954 HB3 LYS 119 HB3 LYS 119 -5.248 22.324 16.599 955 HG2 LYS 119 HG2 LYS 119 -5.544 21.535 18.896 956 HG3 LYS 119 HG3 LYS 119 -4.255 20.358 18.659 957 HD2 LYS 119 HD2 LYS 119 -3.915 23.345 18.412 958 HD3 LYS 119 HD3 LYS 119 -3.528 22.410 19.857 959 HE2 LYS 119 HE2 LYS 119 -1.921 21.090 18.561 960 HE3 LYS 119 HE3 LYS 119 -2.293 22.051 17.132 961 HZ1 LYS 119 HZ1 LYS 119 -1.061 23.024 19.657 962 HZ2 LYS 119 HZ2 LYS 119 -1.521 24.023 18.359 963 HZ3 LYS 119 HZ3 LYS 119 -0.305 22.866 18.143 964 H ASN 120 H ASN 120 -4.536 19.836 14.372 965 HA ASN 120 HA ASN 120 -3.323 17.431 15.389 966 HB2 ASN 120 HB2 ASN 120 -3.920 16.015 13.481 967 HB3 ASN 120 HB3 ASN 120 -5.355 16.514 14.364 968 HD21 ASN 120 HD21 ASN 120 -6.820 17.891 13.394 969 HD22 ASN 120 HD22 ASN 120 -6.802 18.219 11.694 970 H THR 121 H THR 121 -1.532 16.705 13.979 971 HA THR 121 HA THR 121 -0.509 18.774 12.208 972 HB THR 121 HB THR 121 0.997 17.988 14.710 973 HG1 THR 121 HG1 THR 121 -0.773 20.084 14.137 974 HG21 THR 121 HG21 THR 121 2.462 18.578 12.854 975 HG22 THR 121 HG22 THR 121 2.493 19.832 14.094 976 HG23 THR 121 HG23 THR 121 1.570 20.080 12.613 977 H GLU 122 H GLU 122 1.212 18.053 10.854 978 HA GLU 122 HA GLU 122 2.007 15.250 11.254 979 HB2 GLU 122 HB2 GLU 122 2.022 14.875 8.862 980 HB3 GLU 122 HB3 GLU 122 0.425 15.393 9.375 981 HG2 GLU 122 HG2 GLU 122 2.441 17.282 8.205 982 HG3 GLU 122 HG3 GLU 122 1.311 16.362 7.217 983 H ILE 123 H ILE 123 4.087 14.716 10.794 984 HA ILE 123 HA ILE 123 5.872 16.646 9.576 985 HB ILE 123 HB ILE 123 7.544 15.925 11.545 986 HG12 ILE 123 HG12 ILE 123 4.813 16.068 12.836 987 HG13 ILE 123 HG13 ILE 123 5.958 14.732 12.895 988 HG21 ILE 123 HG21 ILE 123 7.249 18.173 10.762 989 HG22 ILE 123 HG22 ILE 123 7.160 18.156 12.523 990 HG23 ILE 123 HG23 ILE 123 5.684 18.294 11.568 991 HD11 ILE 123 HD11 ILE 123 7.486 16.077 14.219 992 HD12 ILE 123 HD12 ILE 123 5.903 15.977 14.991 993 HD13 ILE 123 HD13 ILE 123 6.375 17.443 14.131 994 H ARG 124 H ARG 124 8.184 15.560 9.510 995 HA ARG 124 HA ARG 124 7.823 12.688 9.008 996 HB2 ARG 124 HB2 ARG 124 7.436 13.914 6.895 997 HB3 ARG 124 HB3 ARG 124 9.025 14.647 7.043 998 HG2 ARG 124 HG2 ARG 124 10.006 12.355 6.956 999 HG3 ARG 124 HG3 ARG 124 8.390 11.741 6.597 1000 HD2 ARG 124 HD2 ARG 124 8.289 13.153 4.618 1001 HD3 ARG 124 HD3 ARG 124 9.887 13.798 4.980 1002 HE ARG 124 HE ARG 124 9.259 11.247 3.778 1003 HH11 ARG 124 HH11 ARG 124 11.648 13.062 5.586 1004 HH12 ARG 124 HH12 ARG 124 13.000 12.150 4.985 1005 HH21 ARG 124 HH21 ARG 124 11.050 10.047 2.955 1006 HH22 ARG 124 HH22 ARG 124 12.657 10.469 3.471 1007 H ASP 125 H ASP 125 9.004 13.051 11.147 1008 HA ASP 125 HA ASP 125 11.479 11.878 10.957 1009 HB2 ASP 125 HB2 ASP 125 12.117 14.233 10.114 1010 HB3 ASP 125 HB3 ASP 125 11.900 14.746 11.786 1011 H ILE 126 H ILE 126 12.565 11.714 13.113 1012 HA ILE 126 HA ILE 126 10.579 11.982 15.261 1013 HB ILE 126 HB ILE 126 13.075 10.286 15.089 1014 HG12 ILE 126 HG12 ILE 126 11.165 9.488 13.747 1015 HG13 ILE 126 HG13 ILE 126 11.531 8.397 15.080 1016 HG21 ILE 126 HG21 ILE 126 11.090 10.515 17.347 1017 HG22 ILE 126 HG22 ILE 126 12.781 11.017 17.379 1018 HG23 ILE 126 HG23 ILE 126 12.368 9.307 17.234 1019 HD11 ILE 126 HD11 ILE 126 9.676 9.346 16.353 1020 HD12 ILE 126 HD12 ILE 126 9.140 8.680 14.811 1021 HD13 ILE 126 HD13 ILE 126 9.308 10.425 15.007 1022 H ASP 127 H ASP 127 13.789 12.983 14.299 1023 HA ASP 127 HA ASP 127 14.757 13.565 16.918 1024 HB2 ASP 127 HB2 ASP 127 16.258 12.948 15.092 1025 HB3 ASP 127 HB3 ASP 127 15.792 14.387 14.197 1026 H GLU 128 H GLU 128 12.988 15.380 14.551 1027 HA GLU 128 HA GLU 128 13.592 17.878 15.931 1028 HB2 GLU 128 HB2 GLU 128 12.202 18.864 14.004 1029 HB3 GLU 128 HB3 GLU 128 13.802 18.233 13.652 1030 HG2 GLU 128 HG2 GLU 128 12.665 17.312 11.927 1031 HG3 GLU 128 HG3 GLU 128 12.420 16.040 13.120 1032 H ILE 129 H ILE 129 11.695 15.581 16.775 1033 HA ILE 129 HA ILE 129 9.367 17.282 17.365 1034 HB ILE 129 HB ILE 129 9.653 14.338 17.969 1035 HG12 ILE 129 HG12 ILE 129 8.292 15.624 15.592 1036 HG13 ILE 129 HG13 ILE 129 9.796 14.711 15.533 1037 HG21 ILE 129 HG21 ILE 129 7.996 15.494 19.312 1038 HG22 ILE 129 HG22 ILE 129 7.200 14.429 18.154 1039 HG23 ILE 129 HG23 ILE 129 7.253 16.166 17.859 1040 HD11 ILE 129 HD11 ILE 129 7.973 13.329 14.797 1041 HD12 ILE 129 HD12 ILE 129 7.082 13.653 16.284 1042 HD13 ILE 129 HD13 ILE 129 8.581 12.724 16.339 1043 H ASP 130 H ASP 130 9.453 18.331 19.251 1044 HA ASP 130 HA ASP 130 9.808 17.041 21.714 1045 HB2 ASP 130 HB2 ASP 130 11.899 17.974 22.518 1046 HB3 ASP 130 HB3 ASP 130 12.211 17.054 21.053 1047 H ASP 131 H ASP 131 10.838 19.335 23.138 1048 HA ASP 131 HA ASP 131 8.407 20.753 23.480 1049 HB2 ASP 131 HB2 ASP 131 10.003 20.329 25.299 1050 HB3 ASP 131 HB3 ASP 131 11.193 21.350 24.506 1051 H GLU 132 H GLU 132 10.896 21.113 21.265 1052 HA GLU 132 HA GLU 132 11.227 23.862 21.009 1053 HB2 GLU 132 HB2 GLU 132 12.214 23.456 18.887 1054 HB3 GLU 132 HB3 GLU 132 12.619 22.084 19.902 1055 HG2 GLU 132 HG2 GLU 132 12.009 20.874 18.121 1056 HG3 GLU 132 HG3 GLU 132 10.366 21.184 18.677 1057 H LEU 133 H LEU 133 8.882 21.749 19.353 1058 HA LEU 133 HA LEU 133 7.620 23.989 18.080 1059 HB2 LEU 133 HB2 LEU 133 5.796 22.332 17.544 1060 HB3 LEU 133 HB3 LEU 133 7.372 21.973 16.882 1061 HG LEU 133 HG LEU 133 6.677 20.694 19.476 1062 HD11 LEU 133 HD11 LEU 133 4.601 20.451 18.218 1063 HD12 LEU 133 HD12 LEU 133 5.447 18.907 18.329 1064 HD13 LEU 133 HD13 LEU 133 5.501 19.836 16.832 1065 HD21 LEU 133 HD21 LEU 133 8.037 19.749 16.955 1066 HD22 LEU 133 HD22 LEU 133 7.879 18.823 18.447 1067 HD23 LEU 133 HD23 LEU 133 8.839 20.303 18.425 1068 H LEU 134 H LEU 134 7.123 22.045 20.921 1069 HA LEU 134 HA LEU 134 4.501 22.736 21.516 1070 HB2 LEU 134 HB2 LEU 134 5.423 20.913 22.622 1071 HB3 LEU 134 HB3 LEU 134 6.833 21.812 23.141 1072 HG LEU 134 HG LEU 134 5.459 23.054 24.728 1073 HD11 LEU 134 HD11 LEU 134 3.227 21.215 23.862 1074 HD12 LEU 134 HD12 LEU 134 3.317 22.946 23.537 1075 HD13 LEU 134 HD13 LEU 134 3.160 22.367 25.196 1076 HD21 LEU 134 HD21 LEU 134 6.591 21.043 25.472 1077 HD22 LEU 134 HD22 LEU 134 5.215 20.061 24.968 1078 HD23 LEU 134 HD23 LEU 134 5.039 21.212 26.293 1079 H GLU 135 H GLU 135 7.495 24.503 22.182 1080 HA GLU 135 HA GLU 135 6.396 26.368 24.000 1081 HB2 GLU 135 HB2 GLU 135 8.733 26.676 22.113 1082 HB3 GLU 135 HB3 GLU 135 8.331 27.801 23.402 1083 HG2 GLU 135 HG2 GLU 135 8.605 25.939 25.024 1084 HG3 GLU 135 HG3 GLU 135 9.181 24.934 23.693 1085 H SER 136 H SER 136 5.830 25.997 20.686 1086 HA SER 136 HA SER 136 4.706 28.719 20.550 1087 HB2 SER 136 HB2 SER 136 6.715 28.551 19.139 1088 HB3 SER 136 HB3 SER 136 6.020 27.165 18.303 1089 HG SER 136 HG SER 136 4.829 29.746 18.367 1090 H LYS 137 H LYS 137 4.314 25.339 19.981 1091 HA LYS 137 HA LYS 137 2.007 25.540 18.313 1092 HB2 LYS 137 HB2 LYS 137 3.611 23.382 19.506 1093 HB3 LYS 137 HB3 LYS 137 1.921 22.997 19.222 1094 HG2 LYS 137 HG2 LYS 137 3.374 22.336 17.357 1095 HG3 LYS 137 HG3 LYS 137 2.155 23.514 16.874 1096 HD2 LYS 137 HD2 LYS 137 3.791 25.287 16.911 1097 HD3 LYS 137 HD3 LYS 137 5.012 24.195 17.566 1098 HE2 LYS 137 HE2 LYS 137 4.937 22.869 15.518 1099 HE3 LYS 137 HE3 LYS 137 3.690 23.931 14.865 1100 HZ1 LYS 137 HZ1 LYS 137 5.923 24.455 14.023 1101 HZ2 LYS 137 HZ2 LYS 137 6.444 24.789 15.600 1102 HZ3 LYS 137 HZ3 LYS 137 5.248 25.755 14.881 1103 H PHE 138 H PHE 138 2.410 24.199 21.585 1104 HA PHE 138 HA PHE 138 0.876 23.671 23.187 1105 HB2 PHE 138 HB2 PHE 138 -0.028 26.475 22.491 1106 HB3 PHE 138 HB3 PHE 138 -0.513 25.597 23.936 1107 HD1 PHE 138 HD1 PHE 138 1.523 24.667 25.359 1108 HD2 PHE 138 HD2 PHE 138 1.714 27.953 22.661 1109 HE1 PHE 138 HE1 PHE 138 3.493 25.529 26.555 1110 HE2 PHE 138 HE2 PHE 138 3.689 28.816 23.848 1111 HZ PHE 138 HZ PHE 138 4.580 27.605 25.800 Start of MODEL 7 1 H MET 1 H MET 1 1.110 -0.953 -4.392 2 HA MET 1 HA MET 1 1.998 -3.068 -3.643 3 HB2 MET 1 HB2 MET 1 2.610 -0.733 -1.811 4 HB3 MET 1 HB3 MET 1 3.609 -2.170 -1.974 5 HG2 MET 1 HG2 MET 1 4.036 -1.632 -4.300 6 HG3 MET 1 HG3 MET 1 2.992 -0.217 -4.178 7 HE1 MET 1 HE1 MET 1 7.008 -0.677 -1.939 8 HE2 MET 1 HE2 MET 1 6.352 -1.886 -3.043 9 HE3 MET 1 HE3 MET 1 5.559 -1.580 -1.497 10 H THR 2 H THR 2 2.882 -3.566 -1.102 11 HA THR 2 HA THR 2 2.217 -4.970 0.609 12 HB THR 2 HB THR 2 0.964 -3.073 2.226 13 HG1 THR 2 HG1 THR 2 1.279 -1.402 0.830 14 HG21 THR 2 HG21 THR 2 2.793 -4.570 2.866 15 HG22 THR 2 HG22 THR 2 3.176 -2.894 3.259 16 HG23 THR 2 HG23 THR 2 3.902 -3.657 1.845 17 H SER 3 H SER 3 -0.584 -2.755 0.765 18 HA SER 3 HA SER 3 -2.277 -5.143 1.003 19 HB2 SER 3 HB2 SER 3 -3.287 -4.006 3.064 20 HB3 SER 3 HB3 SER 3 -1.694 -4.741 3.256 21 HG SER 3 HG SER 3 -1.505 -2.170 2.404 22 H SER 4 H SER 4 -4.631 -4.450 1.340 23 HA SER 4 HA SER 4 -5.442 -2.747 -0.781 24 HB2 SER 4 HB2 SER 4 -7.155 -3.717 1.513 25 HB3 SER 4 HB3 SER 4 -7.675 -3.292 -0.116 26 HG SER 4 HG SER 4 -7.510 -5.569 0.212 27 H LEU 5 H LEU 5 -5.991 -0.620 -0.770 28 HA LEU 5 HA LEU 5 -5.665 0.794 1.781 29 HB2 LEU 5 HB2 LEU 5 -4.208 1.384 -0.187 30 HB3 LEU 5 HB3 LEU 5 -5.646 1.955 -1.008 31 HG LEU 5 HG LEU 5 -4.833 3.114 1.651 32 HD11 LEU 5 HD11 LEU 5 -3.884 3.983 -1.078 33 HD12 LEU 5 HD12 LEU 5 -2.887 3.281 0.197 34 HD13 LEU 5 HD13 LEU 5 -3.632 4.862 0.430 35 HD21 LEU 5 HD21 LEU 5 -7.078 3.646 0.804 36 HD22 LEU 5 HD22 LEU 5 -6.367 4.243 -0.696 37 HD23 LEU 5 HD23 LEU 5 -6.037 5.070 0.826 38 H THR 6 H THR 6 -7.380 1.582 2.769 39 HA THR 6 HA THR 6 -9.501 2.884 1.392 40 HB THR 6 HB THR 6 -10.235 0.544 1.078 41 HG1 THR 6 HG1 THR 6 -11.865 2.089 1.327 42 HG21 THR 6 HG21 THR 6 -10.913 -0.804 3.005 43 HG22 THR 6 HG22 THR 6 -10.286 0.434 4.094 44 HG23 THR 6 HG23 THR 6 -9.185 -0.456 3.041 45 H ILE 7 H ILE 7 -11.251 3.487 3.147 46 HA ILE 7 HA ILE 7 -9.677 4.558 5.338 47 HB ILE 7 HB ILE 7 -11.666 5.942 5.836 48 HG12 ILE 7 HG12 ILE 7 -13.300 5.925 3.698 49 HG13 ILE 7 HG13 ILE 7 -12.870 4.217 3.735 50 HG21 ILE 7 HG21 ILE 7 -10.733 6.031 2.971 51 HG22 ILE 7 HG22 ILE 7 -9.921 6.759 4.357 52 HG23 ILE 7 HG23 ILE 7 -11.500 7.357 3.847 53 HD11 ILE 7 HD11 ILE 7 -13.669 4.063 6.031 54 HD12 ILE 7 HD12 ILE 7 -14.931 4.645 4.943 55 HD13 ILE 7 HD13 ILE 7 -14.089 5.777 6.003 56 H CYS 8 H CYS 8 -10.126 4.261 7.508 57 HA CYS 8 HA CYS 8 -11.757 1.871 8.078 58 HB2 CYS 8 HB2 CYS 8 -9.272 2.828 9.513 59 HB3 CYS 8 HB3 CYS 8 -10.183 1.366 9.879 60 HG CYS 8 HG CYS 8 -8.639 1.886 6.870 61 H SER 9 H SER 9 -12.810 1.776 10.144 62 HA SER 9 HA SER 9 -13.595 4.448 11.076 63 HB2 SER 9 HB2 SER 9 -14.986 1.806 11.584 64 HB3 SER 9 HB3 SER 9 -15.619 3.417 11.912 65 HG SER 9 HG SER 9 -15.278 2.085 9.460 66 H ILE 10 H ILE 10 -14.368 4.315 13.514 67 HA ILE 10 HA ILE 10 -12.100 3.161 15.001 68 HB ILE 10 HB ILE 10 -13.837 5.530 15.748 69 HG12 ILE 10 HG12 ILE 10 -11.509 6.682 15.648 70 HG13 ILE 10 HG13 ILE 10 -11.037 5.301 14.667 71 HG21 ILE 10 HG21 ILE 10 -11.476 4.335 17.192 72 HG22 ILE 10 HG22 ILE 10 -13.161 4.262 17.710 73 HG23 ILE 10 HG23 ILE 10 -12.324 5.814 17.647 74 HD11 ILE 10 HD11 ILE 10 -12.807 5.851 13.067 75 HD12 ILE 10 HD12 ILE 10 -11.656 7.172 13.273 76 HD13 ILE 10 HD13 ILE 10 -13.240 7.254 14.045 77 HA PRO 11 HA PRO 11 -15.260 0.398 16.627 78 HB2 PRO 11 HB2 PRO 11 -13.554 -0.829 18.396 79 HB3 PRO 11 HB3 PRO 11 -13.692 -1.270 16.691 80 HG2 PRO 11 HG2 PRO 11 -11.685 0.500 18.031 81 HG3 PRO 11 HG3 PRO 11 -11.422 -0.755 16.808 82 HD2 PRO 11 HD2 PRO 11 -11.465 1.832 16.137 83 HD3 PRO 11 HD3 PRO 11 -12.189 0.603 15.078 84 H ASP 12 H ASP 12 -16.530 0.452 18.433 85 HA ASP 12 HA ASP 12 -16.602 2.796 19.925 86 HB2 ASP 12 HB2 ASP 12 -18.569 1.400 19.540 87 HB3 ASP 12 HB3 ASP 12 -17.889 0.132 20.552 88 H GLY 13 H GLY 13 -15.182 -0.318 20.730 89 HA2 GLY 13 HA2 GLY 13 -14.771 0.021 23.466 90 HA3 GLY 13 HA3 GLY 13 -13.765 -0.960 22.413 91 H VAL 14 H VAL 14 -12.493 0.801 20.822 92 HA VAL 14 HA VAL 14 -10.705 2.085 22.685 93 HB VAL 14 HB VAL 14 -9.267 2.563 20.833 94 HG11 VAL 14 HG11 VAL 14 -8.943 0.326 19.873 95 HG12 VAL 14 HG12 VAL 14 -10.522 -0.155 20.496 96 HG13 VAL 14 HG13 VAL 14 -9.226 0.272 21.614 97 HG21 VAL 14 HG21 VAL 14 -9.877 2.163 18.515 98 HG22 VAL 14 HG22 VAL 14 -10.960 3.347 19.249 99 HG23 VAL 14 HG23 VAL 14 -11.501 1.684 19.011 100 H LYS 15 H LYS 15 -13.353 2.967 20.702 101 HA LYS 15 HA LYS 15 -12.829 5.686 20.288 102 HB2 LYS 15 HB2 LYS 15 -14.521 4.912 18.955 103 HB3 LYS 15 HB3 LYS 15 -15.225 3.929 20.223 104 HG2 LYS 15 HG2 LYS 15 -15.420 6.865 20.543 105 HG3 LYS 15 HG3 LYS 15 -16.384 6.117 19.271 106 HD2 LYS 15 HD2 LYS 15 -17.111 4.441 21.074 107 HD3 LYS 15 HD3 LYS 15 -16.463 5.607 22.227 108 HE2 LYS 15 HE2 LYS 15 -18.004 7.274 21.534 109 HE3 LYS 15 HE3 LYS 15 -18.507 6.318 20.138 110 HZ1 LYS 15 HZ1 LYS 15 -20.174 6.078 21.773 111 HZ2 LYS 15 HZ2 LYS 15 -19.049 5.762 23.001 112 HZ3 LYS 15 HZ3 LYS 15 -19.305 4.617 21.774 113 H GLU 16 H GLU 16 -14.576 4.061 22.954 114 HA GLU 16 HA GLU 16 -15.227 6.459 24.317 115 HB2 GLU 16 HB2 GLU 16 -16.317 4.295 24.819 116 HB3 GLU 16 HB3 GLU 16 -14.805 3.711 25.507 117 HG2 GLU 16 HG2 GLU 16 -16.161 4.408 27.322 118 HG3 GLU 16 HG3 GLU 16 -14.909 5.622 27.120 119 H ASP 17 H ASP 17 -12.484 4.248 24.547 120 HA ASP 17 HA ASP 17 -11.251 5.427 26.776 121 HB2 ASP 17 HB2 ASP 17 -10.702 3.186 25.716 122 HB3 ASP 17 HB3 ASP 17 -9.804 4.077 24.492 123 H LEU 18 H LEU 18 -11.310 6.279 23.413 124 HA LEU 18 HA LEU 18 -9.202 8.251 23.688 125 HB2 LEU 18 HB2 LEU 18 -9.514 6.873 21.635 126 HB3 LEU 18 HB3 LEU 18 -11.039 7.690 21.361 127 HG LEU 18 HG LEU 18 -9.905 9.795 20.988 128 HD11 LEU 18 HD11 LEU 18 -7.491 9.990 21.021 129 HD12 LEU 18 HD12 LEU 18 -7.336 8.302 21.510 130 HD13 LEU 18 HD13 LEU 18 -8.074 9.473 22.605 131 HD21 LEU 18 HD21 LEU 18 -8.601 7.534 19.478 132 HD22 LEU 18 HD22 LEU 18 -8.677 9.218 18.959 133 HD23 LEU 18 HD23 LEU 18 -10.158 8.271 19.101 134 H LYS 19 H LYS 19 -12.653 8.079 23.863 135 HA LYS 19 HA LYS 19 -13.130 10.903 23.585 136 HB2 LYS 19 HB2 LYS 19 -14.726 8.515 24.002 137 HB3 LYS 19 HB3 LYS 19 -15.234 9.808 25.072 138 HG2 LYS 19 HG2 LYS 19 -16.584 10.158 23.259 139 HG3 LYS 19 HG3 LYS 19 -15.239 11.237 22.896 140 HD2 LYS 19 HD2 LYS 19 -15.336 8.421 21.860 141 HD3 LYS 19 HD3 LYS 19 -16.125 9.751 21.012 142 HE2 LYS 19 HE2 LYS 19 -14.036 10.892 20.740 143 HE3 LYS 19 HE3 LYS 19 -13.206 9.716 21.757 144 HZ1 LYS 19 HZ1 LYS 19 -12.906 9.400 19.322 145 HZ2 LYS 19 HZ2 LYS 19 -14.556 9.006 19.210 146 HZ3 LYS 19 HZ3 LYS 19 -13.510 8.044 20.134 147 H LYS 20 H LYS 20 -12.999 8.607 26.282 148 HA LYS 20 HA LYS 20 -13.532 10.458 28.311 149 HB2 LYS 20 HB2 LYS 20 -12.109 7.809 28.389 150 HB3 LYS 20 HB3 LYS 20 -12.516 8.735 29.829 151 HG2 LYS 20 HG2 LYS 20 -14.419 7.556 27.819 152 HG3 LYS 20 HG3 LYS 20 -14.194 7.071 29.503 153 HD2 LYS 20 HD2 LYS 20 -14.960 9.332 30.197 154 HD3 LYS 20 HD3 LYS 20 -15.294 9.701 28.507 155 HE2 LYS 20 HE2 LYS 20 -17.340 9.047 29.589 156 HE3 LYS 20 HE3 LYS 20 -16.865 7.790 28.448 157 HZ1 LYS 20 HZ1 LYS 20 -15.859 6.596 30.367 158 HZ2 LYS 20 HZ2 LYS 20 -17.546 6.739 30.448 159 HZ3 LYS 20 HZ3 LYS 20 -16.564 7.743 31.399 160 H PHE 21 H PHE 21 -10.598 9.672 26.633 161 HA PHE 21 HA PHE 21 -8.628 10.609 28.294 162 HB2 PHE 21 HB2 PHE 21 -8.333 9.495 26.074 163 HB3 PHE 21 HB3 PHE 21 -8.810 10.997 25.295 164 HD1 PHE 21 HD1 PHE 21 -6.919 11.561 28.237 165 HD2 PHE 21 HD2 PHE 21 -6.557 10.591 24.119 166 HE1 PHE 21 HE1 PHE 21 -4.618 12.297 28.272 167 HE2 PHE 21 HE2 PHE 21 -4.222 11.346 24.144 168 HZ PHE 21 HZ PHE 21 -3.238 12.204 26.232 169 H ARG 22 H ARG 22 -10.842 12.450 26.228 170 HA ARG 22 HA ARG 22 -9.507 14.922 27.008 171 HB2 ARG 22 HB2 ARG 22 -10.726 16.040 25.311 172 HB3 ARG 22 HB3 ARG 22 -10.180 14.522 24.617 173 HG2 ARG 22 HG2 ARG 22 -12.375 13.577 24.818 174 HG3 ARG 22 HG3 ARG 22 -12.947 14.990 25.706 175 HD2 ARG 22 HD2 ARG 22 -12.043 14.896 22.829 176 HD3 ARG 22 HD3 ARG 22 -13.688 15.138 23.416 177 HE ARG 22 HE ARG 22 -11.653 17.087 24.193 178 HH11 ARG 22 HH11 ARG 22 -14.435 16.296 22.244 179 HH12 ARG 22 HH12 ARG 22 -14.803 17.942 21.840 180 HH21 ARG 22 HH21 ARG 22 -12.098 19.267 23.655 181 HH22 ARG 22 HH22 ARG 22 -13.454 19.649 22.642 182 H PHE 23 H PHE 23 -12.398 13.121 27.708 183 HA PHE 23 HA PHE 23 -13.845 15.323 28.757 184 HB2 PHE 23 HB2 PHE 23 -14.893 13.413 27.645 185 HB3 PHE 23 HB3 PHE 23 -14.260 12.334 28.886 186 HD1 PHE 23 HD1 PHE 23 -15.536 11.840 30.704 187 HD2 PHE 23 HD2 PHE 23 -16.348 15.345 28.460 188 HE1 PHE 23 HE1 PHE 23 -17.512 12.246 32.069 189 HE2 PHE 23 HE2 PHE 23 -18.323 15.763 29.810 190 HZ PHE 23 HZ PHE 23 -18.939 14.217 31.638 191 H SER 24 H SER 24 -11.730 12.809 30.034 192 HA SER 24 HA SER 24 -11.731 14.131 32.617 193 HB2 SER 24 HB2 SER 24 -12.558 11.232 32.349 194 HB3 SER 24 HB3 SER 24 -12.255 12.071 33.870 195 HG SER 24 HG SER 24 -13.961 13.552 32.507 196 H LYS 25 H LYS 25 -9.576 14.558 32.302 197 HA LYS 25 HA LYS 25 -7.823 12.213 32.579 198 HB2 LYS 25 HB2 LYS 25 -6.102 13.318 31.295 199 HB3 LYS 25 HB3 LYS 25 -7.577 13.279 30.338 200 HG2 LYS 25 HG2 LYS 25 -7.923 15.553 30.532 201 HG3 LYS 25 HG3 LYS 25 -6.949 15.681 31.999 202 HD2 LYS 25 HD2 LYS 25 -4.964 15.048 30.535 203 HD3 LYS 25 HD3 LYS 25 -6.023 15.365 29.159 204 HE2 LYS 25 HE2 LYS 25 -6.332 17.638 29.836 205 HE3 LYS 25 HE3 LYS 25 -5.490 17.351 31.359 206 HZ1 LYS 25 HZ1 LYS 25 -3.464 16.913 30.097 207 HZ2 LYS 25 HZ2 LYS 25 -4.057 18.466 29.793 208 HZ3 LYS 25 HZ3 LYS 25 -4.284 17.236 28.647 209 H SER 26 H SER 26 -5.492 13.332 33.228 210 HA SER 26 HA SER 26 -5.977 14.587 35.788 211 HB2 SER 26 HB2 SER 26 -3.419 14.368 35.914 212 HB3 SER 26 HB3 SER 26 -4.347 12.871 35.845 213 HG SER 26 HG SER 26 -2.661 12.737 34.373 214 H THR 27 H THR 27 -4.205 16.366 36.341 215 HA THR 27 HA THR 27 -4.735 18.536 34.506 216 HB THR 27 HB THR 27 -3.089 18.786 37.011 217 HG1 THR 27 HG1 THR 27 -5.217 19.142 38.044 218 HG21 THR 27 HG21 THR 27 -5.077 20.601 35.630 219 HG22 THR 27 HG22 THR 27 -3.322 20.765 35.592 220 HG23 THR 27 HG23 THR 27 -4.196 20.986 37.107 221 H THR 28 H THR 28 -2.526 16.214 34.374 222 HA THR 28 HA THR 28 -0.261 17.960 33.699 223 HB THR 28 HB THR 28 -0.041 14.971 33.695 224 HG1 THR 28 HG1 THR 28 0.380 15.082 35.978 225 HG21 THR 28 HG21 THR 28 2.209 15.460 34.508 226 HG22 THR 28 HG22 THR 28 1.814 17.175 34.617 227 HG23 THR 28 HG23 THR 28 1.874 16.383 33.043 228 H MET 29 H MET 29 1.070 16.420 31.860 229 HA MET 29 HA MET 29 -0.780 16.460 29.595 230 HB2 MET 29 HB2 MET 29 1.307 16.430 28.197 231 HB3 MET 29 HB3 MET 29 1.086 17.867 29.182 232 HG2 MET 29 HG2 MET 29 2.678 16.988 30.818 233 HG3 MET 29 HG3 MET 29 2.913 15.558 29.814 234 HE1 MET 29 HE1 MET 29 5.582 16.236 30.081 235 HE2 MET 29 HE2 MET 29 5.148 17.726 30.916 236 HE3 MET 29 HE3 MET 29 6.222 17.780 29.518 237 H ASN 30 H ASN 30 -1.152 14.763 28.352 238 HA ASN 30 HA ASN 30 0.247 12.245 28.763 239 HB2 ASN 30 HB2 ASN 30 -2.166 11.190 28.957 240 HB3 ASN 30 HB3 ASN 30 -1.328 11.765 30.391 241 HD21 ASN 30 HD21 ASN 30 -3.225 12.083 31.518 242 HD22 ASN 30 HD22 ASN 30 -4.312 13.374 31.159 243 H ALA 31 H ALA 31 -0.704 10.582 27.180 244 HA ALA 31 HA ALA 31 -1.788 11.805 24.797 245 HB1 ALA 31 HB1 ALA 31 1.016 10.700 24.774 246 HB2 ALA 31 HB2 ALA 31 0.589 12.408 24.688 247 HB3 ALA 31 HB3 ALA 31 0.119 11.316 23.386 248 H LEU 32 H LEU 32 -2.440 10.350 23.250 249 HA LEU 32 HA LEU 32 -2.206 7.498 23.959 250 HB2 LEU 32 HB2 LEU 32 -4.513 8.687 24.208 251 HB3 LEU 32 HB3 LEU 32 -4.544 8.659 22.458 252 HG LEU 32 HG LEU 32 -4.270 6.168 24.144 253 HD11 LEU 32 HD11 LEU 32 -6.641 5.800 23.745 254 HD12 LEU 32 HD12 LEU 32 -6.756 7.351 22.914 255 HD13 LEU 32 HD13 LEU 32 -6.385 7.299 24.638 256 HD21 LEU 32 HD21 LEU 32 -3.497 5.933 21.843 257 HD22 LEU 32 HD22 LEU 32 -5.030 6.577 21.254 258 HD23 LEU 32 HD23 LEU 32 -4.991 5.033 22.105 259 H ILE 33 H ILE 33 -1.165 6.373 22.437 260 HA ILE 33 HA ILE 33 -0.880 7.556 19.765 261 HB ILE 33 HB ILE 33 0.629 5.246 21.012 262 HG12 ILE 33 HG12 ILE 33 1.439 8.120 20.503 263 HG13 ILE 33 HG13 ILE 33 1.162 7.382 22.075 264 HG21 ILE 33 HG21 ILE 33 2.114 5.428 19.076 265 HG22 ILE 33 HG22 ILE 33 1.084 6.692 18.403 266 HG23 ILE 33 HG23 ILE 33 0.463 5.051 18.583 267 HD11 ILE 33 HD11 ILE 33 3.344 6.649 20.140 268 HD12 ILE 33 HD12 ILE 33 3.067 5.900 21.713 269 HD13 ILE 33 HD13 ILE 33 3.529 7.600 21.614 270 H LEU 34 H LEU 34 -2.070 6.786 18.159 271 HA LEU 34 HA LEU 34 -3.353 4.171 18.533 272 HB2 LEU 34 HB2 LEU 34 -5.309 5.280 17.225 273 HB3 LEU 34 HB3 LEU 34 -5.154 5.513 18.952 274 HG LEU 34 HG LEU 34 -3.961 7.536 17.115 275 HD11 LEU 34 HD11 LEU 34 -6.254 7.167 16.283 276 HD12 LEU 34 HD12 LEU 34 -6.081 8.748 17.045 277 HD13 LEU 34 HD13 LEU 34 -6.873 7.433 17.912 278 HD21 LEU 34 HD21 LEU 34 -4.504 9.049 18.934 279 HD22 LEU 34 HD22 LEU 34 -3.572 7.677 19.532 280 HD23 LEU 34 HD23 LEU 34 -5.313 7.743 19.799 281 H LYS 35 H LYS 35 -4.283 3.293 16.468 282 HA LYS 35 HA LYS 35 -2.351 3.707 14.303 283 HB2 LYS 35 HB2 LYS 35 -1.469 2.019 15.747 284 HB3 LYS 35 HB3 LYS 35 -3.020 1.210 15.836 285 HG2 LYS 35 HG2 LYS 35 -2.066 -0.152 14.348 286 HG3 LYS 35 HG3 LYS 35 -2.597 1.083 13.206 287 HD2 LYS 35 HD2 LYS 35 -0.495 1.849 12.849 288 HD3 LYS 35 HD3 LYS 35 0.031 1.485 14.499 289 HE2 LYS 35 HE2 LYS 35 -0.543 -0.564 12.394 290 HE3 LYS 35 HE3 LYS 35 1.076 0.032 12.770 291 HZ1 LYS 35 HZ1 LYS 35 0.656 -0.745 15.099 292 HZ2 LYS 35 HZ2 LYS 35 0.755 -1.988 13.951 293 HZ3 LYS 35 HZ3 LYS 35 -0.758 -1.500 14.542 294 H ILE 36 H ILE 36 -3.146 3.279 12.265 295 HA ILE 36 HA ILE 36 -5.879 2.188 12.046 296 HB ILE 36 HB ILE 36 -4.355 3.909 10.069 297 HG12 ILE 36 HG12 ILE 36 -6.920 4.640 11.459 298 HG13 ILE 36 HG13 ILE 36 -5.364 4.972 12.200 299 HG21 ILE 36 HG21 ILE 36 -7.156 2.796 9.929 300 HG22 ILE 36 HG22 ILE 36 -5.785 2.294 8.939 301 HG23 ILE 36 HG23 ILE 36 -6.441 3.923 8.775 302 HD11 ILE 36 HD11 ILE 36 -4.730 6.328 10.292 303 HD12 ILE 36 HD12 ILE 36 -6.220 6.910 11.035 304 HD13 ILE 36 HD13 ILE 36 -6.284 5.985 9.534 305 H ASP 37 H ASP 37 -5.760 0.039 11.545 306 HA ASP 37 HA ASP 37 -3.678 -0.728 9.605 307 HB2 ASP 37 HB2 ASP 37 -3.634 -1.830 11.925 308 HB3 ASP 37 HB3 ASP 37 -5.086 -2.686 11.412 309 H ARG 38 H ARG 38 -4.289 -1.444 7.711 310 HA ARG 38 HA ARG 38 -7.003 -1.322 6.909 311 HB2 ARG 38 HB2 ARG 38 -6.180 -2.033 4.710 312 HB3 ARG 38 HB3 ARG 38 -5.206 -0.731 5.376 313 HG2 ARG 38 HG2 ARG 38 -4.365 -3.582 5.720 314 HG3 ARG 38 HG3 ARG 38 -4.043 -2.721 4.215 315 HD2 ARG 38 HD2 ARG 38 -2.263 -1.766 5.131 316 HD3 ARG 38 HD3 ARG 38 -3.282 -1.035 6.369 317 HE ARG 38 HE ARG 38 -2.933 -3.140 7.672 318 HH11 ARG 38 HH11 ARG 38 -0.666 -2.306 5.125 319 HH12 ARG 38 HH12 ARG 38 0.700 -3.038 5.917 320 HH21 ARG 38 HH21 ARG 38 -1.162 -4.140 8.698 321 HH22 ARG 38 HH22 ARG 38 0.409 -4.120 7.944 322 H GLU 39 H GLU 39 -5.011 -3.879 8.110 323 HA GLU 39 HA GLU 39 -6.362 -6.056 6.855 324 HB2 GLU 39 HB2 GLU 39 -4.038 -6.009 7.982 325 HB3 GLU 39 HB3 GLU 39 -4.906 -6.189 9.495 326 HG2 GLU 39 HG2 GLU 39 -5.252 -8.125 7.234 327 HG3 GLU 39 HG3 GLU 39 -3.954 -8.284 8.414 328 H SER 40 H SER 40 -6.557 -4.586 10.081 329 HA SER 40 HA SER 40 -8.920 -6.076 10.770 330 HB2 SER 40 HB2 SER 40 -7.722 -3.670 12.162 331 HB3 SER 40 HB3 SER 40 -8.847 -4.843 12.849 332 HG SER 40 HG SER 40 -7.124 -5.875 13.439 333 H HIS 41 H HIS 41 -8.154 -3.062 9.278 334 HA HIS 41 HA HIS 41 -9.393 -1.466 8.256 335 HB2 HIS 41 HB2 HIS 41 -10.607 -3.461 7.352 336 HB3 HIS 41 HB3 HIS 41 -11.760 -3.307 8.672 337 HD1 HIS 41 HD1 HIS 41 -13.847 -2.312 7.806 338 HD2 HIS 41 HD2 HIS 41 -10.479 -0.631 6.038 339 HE1 HIS 41 HE1 HIS 41 -14.710 -0.542 6.241 340 HE2 HIS 41 HE2 HIS 41 -12.643 0.632 5.408 341 H GLU 42 H GLU 42 -8.968 -1.456 11.078 342 HA GLU 42 HA GLU 42 -11.031 0.431 11.846 343 HB2 GLU 42 HB2 GLU 42 -11.288 -0.602 14.079 344 HB3 GLU 42 HB3 GLU 42 -11.880 -1.624 12.779 345 HG2 GLU 42 HG2 GLU 42 -9.737 -2.878 12.875 346 HG3 GLU 42 HG3 GLU 42 -9.304 -1.917 14.288 347 H LEU 43 H LEU 43 -10.391 1.884 13.452 348 HA LEU 43 HA LEU 43 -7.490 2.187 13.655 349 HB2 LEU 43 HB2 LEU 43 -8.956 4.052 12.842 350 HB3 LEU 43 HB3 LEU 43 -9.714 4.095 14.418 351 HG LEU 43 HG LEU 43 -6.763 4.581 14.058 352 HD11 LEU 43 HD11 LEU 43 -8.999 6.605 14.028 353 HD12 LEU 43 HD12 LEU 43 -7.959 6.184 12.668 354 HD13 LEU 43 HD13 LEU 43 -7.277 6.977 14.087 355 HD21 LEU 43 HD21 LEU 43 -7.036 5.792 16.185 356 HD22 LEU 43 HD22 LEU 43 -7.468 4.089 16.326 357 HD23 LEU 43 HD23 LEU 43 -8.734 5.313 16.222 358 H GLN 44 H GLN 44 -6.516 1.453 15.417 359 HA GLN 44 HA GLN 44 -8.141 1.021 17.839 360 HB2 GLN 44 HB2 GLN 44 -5.692 -0.517 16.957 361 HB3 GLN 44 HB3 GLN 44 -6.747 -0.899 18.310 362 HG2 GLN 44 HG2 GLN 44 -8.489 -1.585 16.900 363 HG3 GLN 44 HG3 GLN 44 -7.745 -0.839 15.486 364 HE21 GLN 44 HE21 GLN 44 -5.080 -1.838 16.233 365 HE22 GLN 44 HE22 GLN 44 -5.082 -3.515 15.815 366 H SER 45 H SER 45 -7.070 1.327 19.862 367 HA SER 45 HA SER 45 -5.044 3.382 19.807 368 HB2 SER 45 HB2 SER 45 -5.319 3.082 22.372 369 HB3 SER 45 HB3 SER 45 -6.678 3.740 21.459 370 HG SER 45 HG SER 45 -6.943 1.845 23.050 371 H GLU 46 H GLU 46 -2.961 2.802 19.511 372 HA GLU 46 HA GLU 46 -1.990 0.203 20.054 373 HB2 GLU 46 HB2 GLU 46 -0.573 2.794 19.465 374 HB3 GLU 46 HB3 GLU 46 0.305 1.314 19.812 375 HG2 GLU 46 HG2 GLU 46 -1.370 0.433 17.908 376 HG3 GLU 46 HG3 GLU 46 -1.179 2.115 17.412 377 H GLN 47 H GLN 47 -1.597 3.318 21.759 378 HA GLN 47 HA GLN 47 -1.413 1.927 24.283 379 HB2 GLN 47 HB2 GLN 47 0.817 2.695 24.906 380 HB3 GLN 47 HB3 GLN 47 0.894 1.652 23.493 381 HG2 GLN 47 HG2 GLN 47 1.299 3.470 22.051 382 HG3 GLN 47 HG3 GLN 47 0.855 4.646 23.287 383 HE21 GLN 47 HE21 GLN 47 3.322 2.489 22.132 384 HE22 GLN 47 HE22 GLN 47 4.601 3.104 23.135 385 H LEU 48 H LEU 48 -1.276 3.383 26.121 386 HA LEU 48 HA LEU 48 -1.681 6.226 25.520 387 HB2 LEU 48 HB2 LEU 48 -3.894 4.982 25.871 388 HB3 LEU 48 HB3 LEU 48 -3.392 4.770 27.535 389 HG LEU 48 HG LEU 48 -3.691 7.488 26.247 390 HD11 LEU 48 HD11 LEU 48 -5.856 7.637 27.344 391 HD12 LEU 48 HD12 LEU 48 -5.693 5.978 27.917 392 HD13 LEU 48 HD13 LEU 48 -5.829 6.305 26.190 393 HD21 LEU 48 HD21 LEU 48 -3.583 6.627 29.135 394 HD22 LEU 48 HD22 LEU 48 -3.824 8.274 28.558 395 HD23 LEU 48 HD23 LEU 48 -2.298 7.447 28.251 396 H LEU 49 H LEU 49 -0.318 7.393 26.693 397 HA LEU 49 HA LEU 49 0.588 6.295 29.260 398 HB2 LEU 49 HB2 LEU 49 2.809 7.230 28.890 399 HB3 LEU 49 HB3 LEU 49 2.398 6.043 27.688 400 HG LEU 49 HG LEU 49 2.307 9.019 27.207 401 HD11 LEU 49 HD11 LEU 49 4.391 8.679 25.974 402 HD12 LEU 49 HD12 LEU 49 4.416 6.988 26.474 403 HD13 LEU 49 HD13 LEU 49 4.579 8.268 27.677 404 HD21 LEU 49 HD21 LEU 49 2.239 6.701 25.273 405 HD22 LEU 49 HD22 LEU 49 2.208 8.415 24.856 406 HD23 LEU 49 HD23 LEU 49 0.853 7.694 25.723 407 H ASN 50 H ASN 50 0.818 7.700 30.941 408 HA ASN 50 HA ASN 50 -0.270 10.394 30.462 409 HB2 ASN 50 HB2 ASN 50 -1.648 10.230 32.394 410 HB3 ASN 50 HB3 ASN 50 -1.899 8.741 31.494 411 HD21 ASN 50 HD21 ASN 50 -1.062 6.793 32.313 412 HD22 ASN 50 HD22 ASN 50 -0.571 6.649 33.974 413 H ASP 51 H ASP 51 0.481 12.054 31.739 414 HA ASP 51 HA ASP 51 1.819 13.257 33.113 415 HB2 ASP 51 HB2 ASP 51 1.004 11.420 34.751 416 HB3 ASP 51 HB3 ASP 51 2.614 10.740 34.560 417 H CYS 52 H CYS 52 2.785 11.833 30.699 418 HA CYS 52 HA CYS 52 5.627 11.501 31.280 419 HB2 CYS 52 HB2 CYS 52 4.151 11.057 28.678 420 HB3 CYS 52 HB3 CYS 52 5.787 10.534 29.067 421 HG CYS 52 HG CYS 52 5.145 8.489 30.666 422 H SER 53 H SER 53 6.858 12.292 29.026 423 HA SER 53 HA SER 53 6.249 15.177 28.925 424 HB2 SER 53 HB2 SER 53 8.757 15.356 28.385 425 HB3 SER 53 HB3 SER 53 8.316 14.947 30.042 426 HG SER 53 HG SER 53 8.738 12.765 29.556 427 H ILE 54 H ILE 54 6.742 16.286 26.882 428 HA ILE 54 HA ILE 54 5.601 14.943 24.694 429 HB ILE 54 HB ILE 54 5.424 17.332 24.796 430 HG12 ILE 54 HG12 ILE 54 7.192 16.586 22.452 431 HG13 ILE 54 HG13 ILE 54 5.464 16.282 22.549 432 HG21 ILE 54 HG21 ILE 54 7.342 18.825 24.495 433 HG22 ILE 54 HG22 ILE 54 8.425 17.434 24.523 434 HG23 ILE 54 HG23 ILE 54 7.487 17.850 25.957 435 HD11 ILE 54 HD11 ILE 54 5.916 18.227 21.194 436 HD12 ILE 54 HD12 ILE 54 6.787 18.981 22.530 437 HD13 ILE 54 HD13 ILE 54 5.053 18.688 22.662 438 H GLU 55 H GLU 55 8.964 15.608 25.504 439 HA GLU 55 HA GLU 55 10.130 14.627 23.135 440 HB2 GLU 55 HB2 GLU 55 11.242 14.642 25.949 441 HB3 GLU 55 HB3 GLU 55 12.183 14.436 24.479 442 HG2 GLU 55 HG2 GLU 55 11.813 16.652 23.802 443 HG3 GLU 55 HG3 GLU 55 10.514 16.879 24.973 444 H GLU 56 H GLU 56 8.917 13.092 26.004 445 HA GLU 56 HA GLU 56 10.088 10.533 25.485 446 HB2 GLU 56 HB2 GLU 56 9.604 11.238 27.755 447 HB3 GLU 56 HB3 GLU 56 7.901 11.419 27.366 448 HG2 GLU 56 HG2 GLU 56 7.704 9.029 27.026 449 HG3 GLU 56 HG3 GLU 56 9.425 8.828 27.357 450 H PHE 57 H PHE 57 6.912 12.039 24.945 451 HA PHE 57 HA PHE 57 5.462 9.775 24.224 452 HB2 PHE 57 HB2 PHE 57 5.213 12.596 23.166 453 HB3 PHE 57 HB3 PHE 57 4.037 11.321 22.874 454 HD1 PHE 57 HD1 PHE 57 3.610 10.050 25.374 455 HD2 PHE 57 HD2 PHE 57 4.365 14.156 24.591 456 HE1 PHE 57 HE1 PHE 57 2.423 10.659 27.442 457 HE2 PHE 57 HE2 PHE 57 3.183 14.775 26.656 458 HZ PHE 57 HZ PHE 57 2.209 13.026 28.086 459 H LYS 58 H LYS 58 7.503 11.861 22.218 460 HA LYS 58 HA LYS 58 6.800 10.487 19.806 461 HB2 LYS 58 HB2 LYS 58 8.520 11.936 18.759 462 HB3 LYS 58 HB3 LYS 58 7.316 12.827 19.668 463 HG2 LYS 58 HG2 LYS 58 9.193 13.913 20.346 464 HG3 LYS 58 HG3 LYS 58 9.126 12.656 21.582 465 HD2 LYS 58 HD2 LYS 58 10.760 11.335 20.378 466 HD3 LYS 58 HD3 LYS 58 10.762 12.496 19.048 467 HE2 LYS 58 HE2 LYS 58 11.611 14.221 20.578 468 HE3 LYS 58 HE3 LYS 58 11.643 13.041 21.884 469 HZ1 LYS 58 HZ1 LYS 58 13.828 13.371 20.877 470 HZ2 LYS 58 HZ2 LYS 58 13.230 12.866 19.381 471 HZ3 LYS 58 HZ3 LYS 58 13.297 11.775 20.676 472 H GLU 59 H GLU 59 9.360 10.221 22.155 473 HA GLU 59 HA GLU 59 10.936 8.560 20.342 474 HB2 GLU 59 HB2 GLU 59 11.870 10.479 21.781 475 HB3 GLU 59 HB3 GLU 59 11.731 9.354 23.126 476 HG2 GLU 59 HG2 GLU 59 13.362 7.949 22.289 477 HG3 GLU 59 HG3 GLU 59 13.196 8.568 20.644 478 H GLU 60 H GLU 60 8.429 8.010 22.267 479 HA GLU 60 HA GLU 60 9.237 5.930 23.984 480 HB2 GLU 60 HB2 GLU 60 6.933 7.282 23.650 481 HB3 GLU 60 HB3 GLU 60 6.519 5.814 22.779 482 HG2 GLU 60 HG2 GLU 60 7.453 5.949 25.639 483 HG3 GLU 60 HG3 GLU 60 5.785 5.755 25.110 484 H LEU 61 H LEU 61 8.021 5.911 20.648 485 HA LEU 61 HA LEU 61 8.964 3.137 20.458 486 HB2 LEU 61 HB2 LEU 61 7.003 2.756 18.875 487 HB3 LEU 61 HB3 LEU 61 6.671 2.804 20.592 488 HG LEU 61 HG LEU 61 5.993 5.256 20.213 489 HD11 LEU 61 HD11 LEU 61 5.158 5.762 17.962 490 HD12 LEU 61 HD12 LEU 61 5.885 4.267 17.369 491 HD13 LEU 61 HD13 LEU 61 6.911 5.561 17.991 492 HD21 LEU 61 HD21 LEU 61 3.739 4.602 19.580 493 HD22 LEU 61 HD22 LEU 61 4.433 3.444 20.716 494 HD23 LEU 61 HD23 LEU 61 4.341 3.049 19.000 495 HA PRO 62 HA PRO 62 10.784 4.499 16.589 496 HB2 PRO 62 HB2 PRO 62 11.387 2.043 15.616 497 HB3 PRO 62 HB3 PRO 62 12.364 2.832 16.859 498 HG2 PRO 62 HG2 PRO 62 10.307 0.688 17.141 499 HG3 PRO 62 HG3 PRO 62 11.850 0.882 17.990 500 HD2 PRO 62 HD2 PRO 62 9.423 1.545 19.072 501 HD3 PRO 62 HD3 PRO 62 10.954 2.306 19.544 502 H SER 63 H SER 63 8.814 5.292 15.841 503 HA SER 63 HA SER 63 6.607 3.809 15.123 504 HB2 SER 63 HB2 SER 63 6.725 6.313 15.317 505 HB3 SER 63 HB3 SER 63 7.482 6.337 13.723 506 HG SER 63 HG SER 63 5.602 6.000 12.835 507 H GLN 64 H GLN 64 9.020 5.132 12.840 508 HA GLN 64 HA GLN 64 9.746 4.456 10.795 509 HB2 GLN 64 HB2 GLN 64 8.520 1.769 11.445 510 HB3 GLN 64 HB3 GLN 64 9.703 2.104 10.192 511 HG2 GLN 64 HG2 GLN 64 11.409 2.519 11.771 512 HG3 GLN 64 HG3 GLN 64 10.256 2.574 13.105 513 HE21 GLN 64 HE21 GLN 64 12.628 0.924 12.767 514 HE22 GLN 64 HE22 GLN 64 12.081 -0.715 12.875 515 H GLN 65 H GLN 65 6.566 3.191 11.563 516 HA GLN 65 HA GLN 65 5.543 3.676 8.877 517 HB2 GLN 65 HB2 GLN 65 4.137 2.719 11.387 518 HB3 GLN 65 HB3 GLN 65 3.479 2.684 9.757 519 HG2 GLN 65 HG2 GLN 65 5.067 1.029 9.083 520 HG3 GLN 65 HG3 GLN 65 5.924 1.161 10.619 521 HE21 GLN 65 HE21 GLN 65 4.674 -1.153 9.334 522 HE22 GLN 65 HE22 GLN 65 3.529 -1.769 10.483 523 HA PRO 66 HA PRO 66 3.618 7.546 10.034 524 HB2 PRO 66 HB2 PRO 66 1.120 6.993 8.684 525 HB3 PRO 66 HB3 PRO 66 2.448 8.026 8.155 526 HG2 PRO 66 HG2 PRO 66 1.765 5.675 6.930 527 HG3 PRO 66 HG3 PRO 66 3.392 6.376 6.888 528 HD2 PRO 66 HD2 PRO 66 2.323 4.164 8.600 529 HD3 PRO 66 HD3 PRO 66 3.903 4.310 7.799 530 H ARG 67 H ARG 67 3.460 6.580 12.288 531 HA ARG 67 HA ARG 67 0.680 6.009 13.031 532 HB2 ARG 67 HB2 ARG 67 3.293 5.508 14.455 533 HB3 ARG 67 HB3 ARG 67 1.737 5.369 15.266 534 HG2 ARG 67 HG2 ARG 67 1.055 3.687 13.585 535 HG3 ARG 67 HG3 ARG 67 2.673 3.775 12.890 536 HD2 ARG 67 HD2 ARG 67 2.338 3.196 15.801 537 HD3 ARG 67 HD3 ARG 67 2.071 1.915 14.622 538 HE ARG 67 HE ARG 67 4.510 3.021 13.984 539 HH11 ARG 67 HH11 ARG 67 3.093 1.525 16.817 540 HH12 ARG 67 HH12 ARG 67 4.583 0.763 17.311 541 HH21 ARG 67 HH21 ARG 67 6.478 2.012 14.638 542 HH22 ARG 67 HH22 ARG 67 6.506 1.071 16.103 543 H PHE 68 H PHE 68 -0.218 7.101 14.936 544 HA PHE 68 HA PHE 68 0.913 9.804 15.131 545 HB2 PHE 68 HB2 PHE 68 -1.609 10.519 15.213 546 HB3 PHE 68 HB3 PHE 68 -0.780 10.295 13.680 547 HD1 PHE 68 HD1 PHE 68 -1.106 8.102 12.454 548 HD2 PHE 68 HD2 PHE 68 -3.523 9.322 15.733 549 HE1 PHE 68 HE1 PHE 68 -2.851 6.526 11.746 550 HE2 PHE 68 HE2 PHE 68 -5.270 7.744 15.031 551 HZ PHE 68 HZ PHE 68 -4.935 6.344 13.038 552 H ILE 69 H ILE 69 0.608 10.949 16.932 553 HA ILE 69 HA ILE 69 -0.405 9.460 19.255 554 HB ILE 69 HB ILE 69 1.956 9.506 19.460 555 HG12 ILE 69 HG12 ILE 69 0.438 10.466 21.424 556 HG13 ILE 69 HG13 ILE 69 2.187 10.356 21.566 557 HG21 ILE 69 HG21 ILE 69 2.499 11.132 17.783 558 HG22 ILE 69 HG22 ILE 69 3.303 11.560 19.294 559 HG23 ILE 69 HG23 ILE 69 1.859 12.436 18.783 560 HD11 ILE 69 HD11 ILE 69 1.347 12.484 22.389 561 HD12 ILE 69 HD12 ILE 69 0.635 12.822 20.810 562 HD13 ILE 69 HD13 ILE 69 2.387 12.712 20.982 563 H LEU 70 H LEU 70 -2.041 10.396 20.251 564 HA LEU 70 HA LEU 70 -2.635 13.210 19.689 565 HB2 LEU 70 HB2 LEU 70 -4.359 11.370 19.374 566 HB3 LEU 70 HB3 LEU 70 -4.370 11.187 21.116 567 HG LEU 70 HG LEU 70 -5.007 13.835 19.834 568 HD11 LEU 70 HD11 LEU 70 -6.499 12.229 18.808 569 HD12 LEU 70 HD12 LEU 70 -7.384 13.205 19.981 570 HD13 LEU 70 HD13 LEU 70 -6.904 11.558 20.388 571 HD21 LEU 70 HD21 LEU 70 -6.251 14.192 21.898 572 HD22 LEU 70 HD22 LEU 70 -4.568 13.798 22.248 573 HD23 LEU 70 HD23 LEU 70 -5.822 12.574 22.453 574 H LEU 71 H LEU 71 -1.789 14.591 21.066 575 HA LEU 71 HA LEU 71 -1.301 13.745 23.838 576 HB2 LEU 71 HB2 LEU 71 0.743 14.315 22.812 577 HB3 LEU 71 HB3 LEU 71 0.054 15.708 22.009 578 HG LEU 71 HG LEU 71 0.252 15.708 24.997 579 HD11 LEU 71 HD11 LEU 71 2.505 16.641 24.824 580 HD12 LEU 71 HD12 LEU 71 2.500 16.341 23.086 581 HD13 LEU 71 HD13 LEU 71 2.454 14.987 24.215 582 HD21 LEU 71 HD21 LEU 71 0.526 17.853 22.889 583 HD22 LEU 71 HD22 LEU 71 0.545 18.103 24.635 584 HD23 LEU 71 HD23 LEU 71 -0.922 17.528 23.842 585 H SER 72 H SER 72 -2.016 14.967 25.552 586 HA SER 72 HA SER 72 -3.611 17.346 24.883 587 HB2 SER 72 HB2 SER 72 -5.048 15.561 25.737 588 HB3 SER 72 HB3 SER 72 -4.012 15.380 27.155 589 HG SER 72 HG SER 72 -5.655 17.575 26.441 590 H TRP 73 H TRP 73 -2.601 19.122 25.494 591 HA TRP 73 HA TRP 73 -0.961 19.014 27.940 592 HB2 TRP 73 HB2 TRP 73 0.499 19.322 26.060 593 HB3 TRP 73 HB3 TRP 73 -0.522 20.589 25.403 594 HD1 TRP 73 HD1 TRP 73 0.867 22.726 25.533 595 HE1 TRP 73 HE1 TRP 73 2.244 23.928 27.342 596 HE3 TRP 73 HE3 TRP 73 0.570 19.228 29.250 597 HZ2 TRP 73 HZ2 TRP 73 3.091 23.465 29.987 598 HZ3 TRP 73 HZ3 TRP 73 1.691 19.687 31.391 599 HH2 TRP 73 HH2 TRP 73 2.926 21.763 31.752 600 H CYS 74 H CYS 74 -1.623 20.224 29.526 601 HA CYS 74 HA CYS 74 -3.985 21.767 29.349 602 HB2 CYS 74 HB2 CYS 74 -1.934 21.712 31.568 603 HB3 CYS 74 HB3 CYS 74 -3.601 22.261 31.701 604 HG CYS 74 HG CYS 74 -2.915 19.602 32.817 605 H LYS 75 H LYS 75 -4.137 23.675 28.418 606 HA LYS 75 HA LYS 75 -1.884 25.558 28.585 607 HB2 LYS 75 HB2 LYS 75 -2.157 24.782 26.346 608 HB3 LYS 75 HB3 LYS 75 -3.902 24.962 26.429 609 HG2 LYS 75 HG2 LYS 75 -3.404 27.468 26.740 610 HG3 LYS 75 HG3 LYS 75 -1.804 27.059 26.105 611 HD2 LYS 75 HD2 LYS 75 -2.834 26.061 24.139 612 HD3 LYS 75 HD3 LYS 75 -4.434 26.438 24.771 613 HE2 LYS 75 HE2 LYS 75 -4.231 28.253 23.508 614 HE3 LYS 75 HE3 LYS 75 -3.297 28.870 24.859 615 HZ1 LYS 75 HZ1 LYS 75 -2.272 29.088 22.568 616 HZ2 LYS 75 HZ2 LYS 75 -2.012 27.415 22.613 617 HZ3 LYS 75 HZ3 LYS 75 -1.289 28.426 23.773 618 H LYS 76 H LYS 76 -2.360 27.353 29.754 619 HA LYS 76 HA LYS 76 -5.204 27.980 30.139 620 HB2 LYS 76 HB2 LYS 76 -4.010 27.582 32.231 621 HB3 LYS 76 HB3 LYS 76 -2.830 28.817 31.813 622 HG2 LYS 76 HG2 LYS 76 -4.522 30.534 31.921 623 HG3 LYS 76 HG3 LYS 76 -5.769 29.322 32.212 624 HD2 LYS 76 HD2 LYS 76 -3.412 29.744 34.030 625 HD3 LYS 76 HD3 LYS 76 -4.958 30.564 34.248 626 HE2 LYS 76 HE2 LYS 76 -6.041 28.314 34.336 627 HE3 LYS 76 HE3 LYS 76 -4.429 27.600 34.317 628 HZ1 LYS 76 HZ1 LYS 76 -5.488 29.447 36.395 629 HZ2 LYS 76 HZ2 LYS 76 -3.925 28.786 36.373 630 HZ3 LYS 76 HZ3 LYS 76 -5.271 27.772 36.564 631 H HIS 77 H HIS 77 -5.869 29.361 28.705 632 HA HIS 77 HA HIS 77 -4.154 31.305 27.476 633 HB2 HIS 77 HB2 HIS 77 -6.134 30.135 26.383 634 HB3 HIS 77 HB3 HIS 77 -7.176 31.169 27.349 635 HD1 HIS 77 HD1 HIS 77 -8.189 32.527 25.481 636 HD2 HIS 77 HD2 HIS 77 -4.026 32.506 25.389 637 HE1 HIS 77 HE1 HIS 77 -7.531 34.261 23.779 638 HE2 HIS 77 HE2 HIS 77 -5.011 34.320 23.831 639 H SER 78 H SER 78 -4.974 33.686 27.438 640 HA SER 78 HA SER 78 -4.646 34.723 30.017 641 HB2 SER 78 HB2 SER 78 -5.711 36.167 27.583 642 HB3 SER 78 HB3 SER 78 -4.928 36.896 28.987 643 HG SER 78 HG SER 78 -3.317 34.997 28.029 644 H ASP 79 H ASP 79 -7.371 33.335 28.795 645 HA ASP 79 HA ASP 79 -9.380 35.003 29.980 646 HB2 ASP 79 HB2 ASP 79 -9.793 33.446 28.072 647 HB3 ASP 79 HB3 ASP 79 -9.515 32.089 29.154 648 H GLU 80 H GLU 80 -7.004 33.075 31.226 649 HA GLU 80 HA GLU 80 -6.435 32.508 33.333 650 HB2 GLU 80 HB2 GLU 80 -8.935 34.040 33.980 651 HB3 GLU 80 HB3 GLU 80 -8.013 33.213 35.230 652 HG2 GLU 80 HG2 GLU 80 -6.021 34.501 34.558 653 HG3 GLU 80 HG3 GLU 80 -7.022 35.389 33.409 654 H ARG 81 H ARG 81 -8.476 30.998 31.581 655 HA ARG 81 HA ARG 81 -9.109 29.052 33.675 656 HB2 ARG 81 HB2 ARG 81 -11.208 28.963 32.899 657 HB3 ARG 81 HB3 ARG 81 -10.822 30.191 31.708 658 HG2 ARG 81 HG2 ARG 81 -10.223 27.306 31.179 659 HG3 ARG 81 HG3 ARG 81 -11.840 27.964 30.930 660 HD2 ARG 81 HD2 ARG 81 -9.377 29.176 29.712 661 HD3 ARG 81 HD3 ARG 81 -10.310 27.919 28.911 662 HE ARG 81 HE ARG 81 -11.609 30.434 29.725 663 HH11 ARG 81 HH11 ARG 81 -10.591 28.179 27.258 664 HH12 ARG 81 HH12 ARG 81 -11.461 28.973 25.978 665 HH21 ARG 81 HH21 ARG 81 -12.802 31.459 28.065 666 HH22 ARG 81 HH22 ARG 81 -12.739 30.832 26.442 667 H ILE 82 H ILE 82 -8.206 27.092 33.514 668 HA ILE 82 HA ILE 82 -6.178 26.795 31.503 669 HB ILE 82 HB ILE 82 -5.678 26.121 33.780 670 HG12 ILE 82 HG12 ILE 82 -5.779 23.706 31.973 671 HG13 ILE 82 HG13 ILE 82 -4.602 25.006 31.830 672 HG21 ILE 82 HG21 ILE 82 -7.802 24.011 33.430 673 HG22 ILE 82 HG22 ILE 82 -7.885 25.406 34.506 674 HG23 ILE 82 HG23 ILE 82 -6.694 24.137 34.796 675 HD11 ILE 82 HD11 ILE 82 -3.771 24.497 34.068 676 HD12 ILE 82 HD12 ILE 82 -3.663 23.102 32.994 677 HD13 ILE 82 HD13 ILE 82 -4.946 23.188 34.202 678 H SER 83 H SER 83 -6.482 25.959 29.598 679 HA SER 83 HA SER 83 -8.933 24.404 29.142 680 HB2 SER 83 HB2 SER 83 -7.142 25.698 27.074 681 HB3 SER 83 HB3 SER 83 -8.790 25.107 26.850 682 HG SER 83 HG SER 83 -8.424 27.006 28.837 683 H TYR 84 H TYR 84 -8.851 22.479 27.922 684 HA TYR 84 HA TYR 84 -6.173 21.299 27.734 685 HB2 TYR 84 HB2 TYR 84 -7.501 19.070 27.834 686 HB3 TYR 84 HB3 TYR 84 -7.222 19.964 29.321 687 HD1 TYR 84 HD1 TYR 84 -9.751 18.953 26.849 688 HD2 TYR 84 HD2 TYR 84 -9.059 20.991 30.520 689 HE1 TYR 84 HE1 TYR 84 -12.163 18.933 27.309 690 HE2 TYR 84 HE2 TYR 84 -11.473 20.978 30.986 691 HH TYR 84 HH TYR 84 -13.691 19.105 29.132 692 HA PRO 85 HA PRO 85 -7.520 21.217 23.413 693 HB2 PRO 85 HB2 PRO 85 -5.262 22.188 22.345 694 HB3 PRO 85 HB3 PRO 85 -6.469 23.253 23.072 695 HG2 PRO 85 HG2 PRO 85 -3.850 22.346 24.149 696 HG3 PRO 85 HG3 PRO 85 -4.677 23.899 24.360 697 HD2 PRO 85 HD2 PRO 85 -4.643 21.772 26.192 698 HD3 PRO 85 HD3 PRO 85 -5.731 23.171 26.232 699 H MET 86 H MET 86 -7.453 19.212 22.619 700 HA MET 86 HA MET 86 -4.983 17.659 22.876 701 HB2 MET 86 HB2 MET 86 -7.800 16.824 22.184 702 HB3 MET 86 HB3 MET 86 -6.425 15.739 22.103 703 HG2 MET 86 HG2 MET 86 -7.495 15.294 24.140 704 HG3 MET 86 HG3 MET 86 -6.050 16.218 24.542 705 HE1 MET 86 HE1 MET 86 -7.054 16.655 26.969 706 HE2 MET 86 HE2 MET 86 -8.521 15.766 26.555 707 HE3 MET 86 HE3 MET 86 -8.635 17.380 27.259 708 H LEU 87 H LEU 87 -3.798 17.122 21.154 709 HA LEU 87 HA LEU 87 -4.945 17.379 18.502 710 HB2 LEU 87 HB2 LEU 87 -2.908 18.519 17.647 711 HB3 LEU 87 HB3 LEU 87 -3.908 19.499 18.684 712 HG LEU 87 HG LEU 87 -1.579 19.980 19.049 713 HD11 LEU 87 HD11 LEU 87 -2.702 18.492 21.407 714 HD12 LEU 87 HD12 LEU 87 -3.036 20.170 20.975 715 HD13 LEU 87 HD13 LEU 87 -1.405 19.688 21.449 716 HD21 LEU 87 HD21 LEU 87 -0.573 17.915 18.349 717 HD22 LEU 87 HD22 LEU 87 -1.248 17.077 19.746 718 HD23 LEU 87 HD23 LEU 87 -0.025 18.328 19.975 719 H LEU 88 H LEU 88 -3.820 16.148 16.876 720 HA LEU 88 HA LEU 88 -2.131 14.068 18.083 721 HB2 LEU 88 HB2 LEU 88 -3.138 12.404 16.643 722 HB3 LEU 88 HB3 LEU 88 -4.367 13.179 17.619 723 HG LEU 88 HG LEU 88 -4.535 14.669 15.369 724 HD11 LEU 88 HD11 LEU 88 -3.797 11.891 14.466 725 HD12 LEU 88 HD12 LEU 88 -2.873 13.362 14.169 726 HD13 LEU 88 HD13 LEU 88 -4.466 13.161 13.442 727 HD21 LEU 88 HD21 LEU 88 -5.914 12.046 15.904 728 HD22 LEU 88 HD22 LEU 88 -6.492 13.309 14.816 729 HD23 LEU 88 HD23 LEU 88 -6.382 13.619 16.550 730 H ILE 89 H ILE 89 -0.266 13.683 17.125 731 HA ILE 89 HA ILE 89 0.176 14.938 14.498 732 HB ILE 89 HB ILE 89 2.152 14.603 16.752 733 HG12 ILE 89 HG12 ILE 89 1.028 17.106 15.495 734 HG13 ILE 89 HG13 ILE 89 0.460 16.417 17.011 735 HG21 ILE 89 HG21 ILE 89 3.736 15.802 15.325 736 HG22 ILE 89 HG22 ILE 89 2.553 15.794 14.016 737 HG23 ILE 89 HG23 ILE 89 3.237 14.275 14.596 738 HD11 ILE 89 HD11 ILE 89 1.960 18.267 17.420 739 HD12 ILE 89 HD12 ILE 89 3.220 17.493 16.462 740 HD13 ILE 89 HD13 ILE 89 2.693 16.765 17.979 741 H TYR 90 H TYR 90 0.477 13.535 12.944 742 HA TYR 90 HA TYR 90 1.472 10.872 13.633 743 HB2 TYR 90 HB2 TYR 90 0.683 10.200 11.358 744 HB3 TYR 90 HB3 TYR 90 -0.596 10.736 12.433 745 HD1 TYR 90 HD1 TYR 90 0.691 10.956 9.187 746 HD2 TYR 90 HD2 TYR 90 -1.235 13.313 12.161 747 HE1 TYR 90 HE1 TYR 90 -0.120 12.487 7.442 748 HE2 TYR 90 HE2 TYR 90 -2.047 14.850 10.423 749 HH TYR 90 HH TYR 90 -1.208 15.504 7.991 750 H TYR 91 H TYR 91 3.482 10.417 13.285 751 HA TYR 91 HA TYR 91 5.024 12.185 11.544 752 HB2 TYR 91 HB2 TYR 91 6.928 10.720 12.777 753 HB3 TYR 91 HB3 TYR 91 6.283 12.224 13.422 754 HD1 TYR 91 HD1 TYR 91 5.409 12.260 15.565 755 HD2 TYR 91 HD2 TYR 91 5.735 8.531 13.552 756 HE1 TYR 91 HE1 TYR 91 4.739 11.099 17.624 757 HE2 TYR 91 HE2 TYR 91 5.058 7.359 15.604 758 HH TYR 91 HH TYR 91 3.753 8.963 18.298 759 H CYS 92 H CYS 92 5.354 11.536 9.586 760 HA CYS 92 HA CYS 92 5.693 8.660 9.056 761 HB2 CYS 92 HB2 CYS 92 5.193 9.287 6.664 762 HB3 CYS 92 HB3 CYS 92 3.849 9.512 7.779 763 HG CYS 92 HG CYS 92 5.870 11.999 6.576 764 HA PRO 93 HA PRO 93 9.795 10.469 8.718 765 HB2 PRO 93 HB2 PRO 93 10.978 8.138 9.760 766 HB3 PRO 93 HB3 PRO 93 10.537 9.587 10.649 767 HG2 PRO 93 HG2 PRO 93 9.372 7.046 10.919 768 HG3 PRO 93 HG3 PRO 93 8.758 8.562 11.595 769 HD2 PRO 93 HD2 PRO 93 7.913 7.094 9.151 770 HD3 PRO 93 HD3 PRO 93 6.958 8.116 10.248 771 H ASN 94 H ASN 94 10.456 7.086 8.555 772 HA ASN 94 HA ASN 94 10.825 7.009 5.721 773 HB2 ASN 94 HB2 ASN 94 13.285 6.548 5.883 774 HB3 ASN 94 HB3 ASN 94 12.841 8.212 6.237 775 HD21 ASN 94 HD21 ASN 94 13.008 8.976 8.359 776 HD22 ASN 94 HD22 ASN 94 13.953 8.148 9.548 777 H GLY 95 H GLY 95 10.490 5.017 5.087 778 HA2 GLY 95 HA2 GLY 95 10.860 2.601 5.391 779 HA3 GLY 95 HA3 GLY 95 10.651 2.877 7.117 780 H SER 96 H SER 96 8.519 4.888 6.413 781 HA SER 96 HA SER 96 6.268 3.194 6.547 782 HB2 SER 96 HB2 SER 96 5.026 5.378 6.069 783 HB3 SER 96 HB3 SER 96 6.061 5.352 7.498 784 HG SER 96 HG SER 96 6.511 6.594 4.997 785 H SER 97 H SER 97 5.131 2.212 4.992 786 HA SER 97 HA SER 97 5.802 2.388 2.256 787 HB2 SER 97 HB2 SER 97 3.220 1.390 3.491 788 HB3 SER 97 HB3 SER 97 3.815 1.021 1.871 789 HG SER 97 HG SER 97 5.343 -0.268 2.687 790 HA PRO 98 HA PRO 98 4.003 6.202 1.021 791 HB2 PRO 98 HB2 PRO 98 3.221 5.405 -1.540 792 HB3 PRO 98 HB3 PRO 98 4.802 6.050 -1.092 793 HG2 PRO 98 HG2 PRO 98 3.946 3.219 -1.470 794 HG3 PRO 98 HG3 PRO 98 5.493 3.990 -1.866 795 HD2 PRO 98 HD2 PRO 98 5.230 2.410 0.281 796 HD3 PRO 98 HD3 PRO 98 6.260 3.857 0.318 797 H GLU 99 H GLU 99 2.164 3.272 0.179 798 HA GLU 99 HA GLU 99 -0.311 4.640 -0.057 799 HB2 GLU 99 HB2 GLU 99 -1.305 2.353 0.001 800 HB3 GLU 99 HB3 GLU 99 -0.056 2.575 -1.215 801 HG2 GLU 99 HG2 GLU 99 1.550 1.424 0.172 802 HG3 GLU 99 HG3 GLU 99 0.355 1.270 1.462 803 H LEU 100 H LEU 100 1.367 3.127 2.629 804 HA LEU 100 HA LEU 100 -0.858 3.072 4.393 805 HB2 LEU 100 HB2 LEU 100 2.087 3.239 5.036 806 HB3 LEU 100 HB3 LEU 100 0.823 2.918 6.202 807 HG LEU 100 HG LEU 100 1.654 1.133 3.916 808 HD11 LEU 100 HD11 LEU 100 1.834 0.798 6.907 809 HD12 LEU 100 HD12 LEU 100 3.182 1.106 5.812 810 HD13 LEU 100 HD13 LEU 100 2.287 -0.410 5.706 811 HD21 LEU 100 HD21 LEU 100 -0.540 0.748 5.951 812 HD22 LEU 100 HD22 LEU 100 0.003 -0.451 4.777 813 HD23 LEU 100 HD23 LEU 100 -0.764 1.039 4.226 814 H GLN 101 H GLN 101 1.561 5.462 3.546 815 HA GLN 101 HA GLN 101 0.953 7.366 5.517 816 HB2 GLN 101 HB2 GLN 101 1.994 7.730 2.703 817 HB3 GLN 101 HB3 GLN 101 1.941 9.009 3.912 818 HG2 GLN 101 HG2 GLN 101 3.470 7.832 5.321 819 HG3 GLN 101 HG3 GLN 101 3.406 6.412 4.283 820 HE21 GLN 101 HE21 GLN 101 3.558 9.679 3.049 821 HE22 GLN 101 HE22 GLN 101 5.164 9.572 2.424 822 H MET 102 H MET 102 -0.556 6.621 2.437 823 HA MET 102 HA MET 102 -2.432 8.793 2.578 824 HB2 MET 102 HB2 MET 102 -2.320 6.283 0.905 825 HB3 MET 102 HB3 MET 102 -3.634 7.444 0.790 826 HG2 MET 102 HG2 MET 102 -0.732 8.073 0.305 827 HG3 MET 102 HG3 MET 102 -1.924 7.738 -0.950 828 HE1 MET 102 HE1 MET 102 -4.520 9.154 0.181 829 HE2 MET 102 HE2 MET 102 -3.993 9.313 -1.496 830 HE3 MET 102 HE3 MET 102 -4.394 10.752 -0.563 831 H LEU 103 H LEU 103 -2.409 5.384 3.422 832 HA LEU 103 HA LEU 103 -5.077 5.031 4.144 833 HB2 LEU 103 HB2 LEU 103 -3.679 3.135 3.955 834 HB3 LEU 103 HB3 LEU 103 -2.509 3.784 5.084 835 HG LEU 103 HG LEU 103 -4.184 3.495 6.906 836 HD11 LEU 103 HD11 LEU 103 -6.113 2.063 6.512 837 HD12 LEU 103 HD12 LEU 103 -5.725 1.996 4.793 838 HD13 LEU 103 HD13 LEU 103 -6.205 3.525 5.530 839 HD21 LEU 103 HD21 LEU 103 -2.426 1.859 6.536 840 HD22 LEU 103 HD22 LEU 103 -3.438 1.017 5.364 841 HD23 LEU 103 HD23 LEU 103 -3.912 1.069 7.060 842 H TYR 104 H TYR 104 -2.318 5.853 6.244 843 HA TYR 104 HA TYR 104 -3.900 6.172 8.567 844 HB2 TYR 104 HB2 TYR 104 -1.094 7.042 7.895 845 HB3 TYR 104 HB3 TYR 104 -1.828 7.336 9.467 846 HD1 TYR 104 HD1 TYR 104 -2.427 5.431 10.926 847 HD2 TYR 104 HD2 TYR 104 -0.303 4.869 7.289 848 HE1 TYR 104 HE1 TYR 104 -1.753 3.189 11.669 849 HE2 TYR 104 HE2 TYR 104 0.375 2.626 8.020 850 HH TYR 104 HH TYR 104 -1.067 0.999 10.482 851 H ALA 105 H ALA 105 -2.419 8.589 6.378 852 HA ALA 105 HA ALA 105 -3.444 10.825 7.765 853 HB1 ALA 105 HB1 ALA 105 -2.884 12.126 5.816 854 HB2 ALA 105 HB2 ALA 105 -2.758 10.664 4.837 855 HB3 ALA 105 HB3 ALA 105 -1.603 10.957 6.137 856 H GLY 106 H GLY 106 -4.885 8.655 5.494 857 HA2 GLY 106 HA2 GLY 106 -7.079 10.354 4.775 858 HA3 GLY 106 HA3 GLY 106 -6.952 8.624 4.476 859 H SER 107 H SER 107 -6.760 7.531 6.925 860 HA SER 107 HA SER 107 -9.483 7.789 7.790 861 HB2 SER 107 HB2 SER 107 -7.315 6.009 8.893 862 HB3 SER 107 HB3 SER 107 -9.050 5.838 9.151 863 HG SER 107 HG SER 107 -7.558 5.430 6.790 864 H ARG 108 H ARG 108 -6.515 9.176 8.805 865 HA ARG 108 HA ARG 108 -7.237 9.514 11.539 866 HB2 ARG 108 HB2 ARG 108 -5.393 11.074 11.733 867 HB3 ARG 108 HB3 ARG 108 -4.887 9.642 10.859 868 HG2 ARG 108 HG2 ARG 108 -3.876 11.334 9.679 869 HG3 ARG 108 HG3 ARG 108 -5.344 11.061 8.746 870 HD2 ARG 108 HD2 ARG 108 -6.385 12.994 9.665 871 HD3 ARG 108 HD3 ARG 108 -5.112 13.180 10.872 872 HE ARG 108 HE ARG 108 -3.629 13.550 8.815 873 HH11 ARG 108 HH11 ARG 108 -6.991 14.500 8.973 874 HH12 ARG 108 HH12 ARG 108 -6.798 15.841 7.889 875 HH21 ARG 108 HH21 ARG 108 -3.347 15.321 7.433 876 HH22 ARG 108 HH22 ARG 108 -4.705 16.338 7.044 877 H ASN 109 H ASN 109 -8.208 11.054 8.657 878 HA ASN 109 HA ASN 109 -8.914 13.579 9.773 879 HB2 ASN 109 HB2 ASN 109 -8.664 13.032 7.291 880 HB3 ASN 109 HB3 ASN 109 -10.246 12.268 7.399 881 HD21 ASN 109 HD21 ASN 109 -11.197 13.708 5.991 882 HD22 ASN 109 HD22 ASN 109 -11.516 15.356 6.423 883 H PHE 110 H PHE 110 -10.388 10.445 9.661 884 HA PHE 110 HA PHE 110 -13.035 11.285 10.307 885 HB2 PHE 110 HB2 PHE 110 -11.684 8.589 10.480 886 HB3 PHE 110 HB3 PHE 110 -13.397 8.854 10.790 887 HD1 PHE 110 HD1 PHE 110 -14.917 9.388 8.989 888 HD2 PHE 110 HD2 PHE 110 -10.786 8.702 8.241 889 HE1 PHE 110 HE1 PHE 110 -15.394 9.159 6.587 890 HE2 PHE 110 HE2 PHE 110 -11.256 8.472 5.837 891 HZ PHE 110 HZ PHE 110 -13.562 8.701 5.009 892 H ILE 111 H ILE 111 -10.301 10.039 12.198 893 HA ILE 111 HA ILE 111 -11.749 9.857 14.622 894 HB ILE 111 HB ILE 111 -9.720 8.576 14.307 895 HG12 ILE 111 HG12 ILE 111 -10.485 9.600 16.624 896 HG13 ILE 111 HG13 ILE 111 -9.022 8.646 16.485 897 HG21 ILE 111 HG21 ILE 111 -8.418 10.067 12.954 898 HG22 ILE 111 HG22 ILE 111 -7.493 9.641 14.395 899 HG23 ILE 111 HG23 ILE 111 -8.279 11.217 14.282 900 HD11 ILE 111 HD11 ILE 111 -9.177 11.646 16.545 901 HD12 ILE 111 HD12 ILE 111 -7.696 10.703 16.378 902 HD13 ILE 111 HD13 ILE 111 -8.646 10.599 17.861 903 H VAL 112 H VAL 112 -9.941 12.458 13.112 904 HA VAL 112 HA VAL 112 -9.875 14.254 15.268 905 HB VAL 112 HB VAL 112 -10.109 14.844 12.307 906 HG11 VAL 112 HG11 VAL 112 -9.374 16.666 14.592 907 HG12 VAL 112 HG12 VAL 112 -10.796 16.793 13.556 908 HG13 VAL 112 HG13 VAL 112 -9.187 17.063 12.885 909 HG21 VAL 112 HG21 VAL 112 -8.110 13.590 12.847 910 HG22 VAL 112 HG22 VAL 112 -7.719 14.727 14.137 911 HG23 VAL 112 HG23 VAL 112 -7.691 15.258 12.456 912 H ASN 113 H ASN 113 -12.430 13.257 13.151 913 HA ASN 113 HA ASN 113 -14.167 15.468 13.910 914 HB2 ASN 113 HB2 ASN 113 -14.134 14.442 11.582 915 HB3 ASN 113 HB3 ASN 113 -14.906 13.025 12.286 916 HD21 ASN 113 HD21 ASN 113 -16.739 13.257 11.051 917 HD22 ASN 113 HD22 ASN 113 -17.898 14.512 11.317 918 H GLU 114 H GLU 114 -13.722 12.059 14.534 919 HA GLU 114 HA GLU 114 -16.068 11.516 15.971 920 HB2 GLU 114 HB2 GLU 114 -13.742 10.133 15.252 921 HB3 GLU 114 HB3 GLU 114 -13.780 10.077 17.006 922 HG2 GLU 114 HG2 GLU 114 -16.000 9.198 15.177 923 HG3 GLU 114 HG3 GLU 114 -14.863 8.136 16.006 924 H CYS 115 H CYS 115 -12.844 12.437 17.142 925 HA CYS 115 HA CYS 115 -13.864 12.686 19.853 926 HB2 CYS 115 HB2 CYS 115 -11.086 13.288 18.832 927 HB3 CYS 115 HB3 CYS 115 -11.568 12.976 20.496 928 HG CYS 115 HG CYS 115 -10.073 10.852 19.130 929 H HIS 116 H HIS 116 -13.695 14.636 17.160 930 HA HIS 116 HA HIS 116 -13.633 16.858 16.713 931 HB2 HIS 116 HB2 HIS 116 -14.636 17.022 19.564 932 HB3 HIS 116 HB3 HIS 116 -14.529 18.410 18.483 933 HD1 HIS 116 HD1 HIS 116 -16.309 18.638 16.664 934 HD2 HIS 116 HD2 HIS 116 -16.655 15.149 18.905 935 HE1 HIS 116 HE1 HIS 116 -18.537 17.649 16.044 936 HE2 HIS 116 HE2 HIS 116 -18.606 15.427 17.230 937 H VAL 117 H VAL 117 -11.279 15.858 17.037 938 HA VAL 117 HA VAL 117 -9.609 16.864 19.069 939 HB VAL 117 HB VAL 117 -8.827 16.152 16.232 940 HG11 VAL 117 HG11 VAL 117 -7.087 17.340 17.464 941 HG12 VAL 117 HG12 VAL 117 -6.637 15.659 17.175 942 HG13 VAL 117 HG13 VAL 117 -7.200 16.161 18.770 943 HG21 VAL 117 HG21 VAL 117 -8.358 13.908 17.106 944 HG22 VAL 117 HG22 VAL 117 -10.067 14.324 17.228 945 HG23 VAL 117 HG23 VAL 117 -9.042 14.380 18.662 946 H SER 118 H SER 118 -8.526 18.762 19.281 947 HA SER 118 HA SER 118 -9.586 21.043 18.073 948 HB2 SER 118 HB2 SER 118 -8.439 20.971 20.297 949 HB3 SER 118 HB3 SER 118 -6.900 20.833 19.447 950 HG SER 118 HG SER 118 -8.692 22.943 18.889 951 H LYS 119 H LYS 119 -6.623 19.244 17.385 952 HA LYS 119 HA LYS 119 -6.582 20.182 14.692 953 HB2 LYS 119 HB2 LYS 119 -4.197 21.129 14.963 954 HB3 LYS 119 HB3 LYS 119 -5.559 22.147 15.410 955 HG2 LYS 119 HG2 LYS 119 -5.121 21.974 17.672 956 HG3 LYS 119 HG3 LYS 119 -4.210 20.474 17.485 957 HD2 LYS 119 HD2 LYS 119 -3.235 23.042 16.284 958 HD3 LYS 119 HD3 LYS 119 -2.912 22.643 17.974 959 HE2 LYS 119 HE2 LYS 119 -1.613 20.797 17.422 960 HE3 LYS 119 HE3 LYS 119 -2.299 20.671 15.805 961 HZ1 LYS 119 HZ1 LYS 119 -1.120 22.676 15.177 962 HZ2 LYS 119 HZ2 LYS 119 -0.031 21.529 15.772 963 HZ3 LYS 119 HZ3 LYS 119 -0.492 22.839 16.746 964 H ASN 120 H ASN 120 -4.827 19.246 13.443 965 HA ASN 120 HA ASN 120 -3.372 17.100 14.828 966 HB2 ASN 120 HB2 ASN 120 -3.529 15.716 12.775 967 HB3 ASN 120 HB3 ASN 120 -5.093 16.009 13.518 968 HD21 ASN 120 HD21 ASN 120 -6.584 17.310 12.471 969 HD22 ASN 120 HD22 ASN 120 -6.419 17.762 10.810 970 H THR 121 H THR 121 -1.381 16.475 13.670 971 HA THR 121 HA THR 121 -0.264 18.481 11.900 972 HB THR 121 HB THR 121 0.978 17.920 14.600 973 HG1 THR 121 HG1 THR 121 -0.819 19.819 13.709 974 HG21 THR 121 HG21 THR 121 2.521 19.747 14.003 975 HG22 THR 121 HG22 THR 121 1.792 19.817 12.398 976 HG23 THR 121 HG23 THR 121 2.662 18.371 12.909 977 H GLU 122 H GLU 122 1.593 17.729 10.774 978 HA GLU 122 HA GLU 122 2.412 14.980 11.408 979 HB2 GLU 122 HB2 GLU 122 2.605 14.484 9.010 980 HB3 GLU 122 HB3 GLU 122 0.953 14.850 9.473 981 HG2 GLU 122 HG2 GLU 122 2.790 16.869 8.221 982 HG3 GLU 122 HG3 GLU 122 1.736 15.808 7.291 983 H ILE 123 H ILE 123 4.533 14.522 11.240 984 HA ILE 123 HA ILE 123 6.360 16.550 10.149 985 HB ILE 123 HB ILE 123 6.764 15.148 12.809 986 HG12 ILE 123 HG12 ILE 123 6.305 18.089 12.253 987 HG13 ILE 123 HG13 ILE 123 5.077 16.988 12.867 988 HG21 ILE 123 HG21 ILE 123 8.482 17.168 11.373 989 HG22 ILE 123 HG22 ILE 123 8.859 15.465 11.630 990 HG23 ILE 123 HG23 ILE 123 8.764 16.565 13.007 991 HD11 ILE 123 HD11 ILE 123 6.014 18.291 14.663 992 HD12 ILE 123 HD12 ILE 123 7.640 17.754 14.245 993 HD13 ILE 123 HD13 ILE 123 6.459 16.595 14.859 994 H ARG 124 H ARG 124 8.129 15.640 9.076 995 HA ARG 124 HA ARG 124 7.964 12.736 8.778 996 HB2 ARG 124 HB2 ARG 124 7.899 14.049 6.719 997 HB3 ARG 124 HB3 ARG 124 9.440 14.792 7.124 998 HG2 ARG 124 HG2 ARG 124 10.545 12.632 6.952 999 HG3 ARG 124 HG3 ARG 124 9.001 11.861 6.584 1000 HD2 ARG 124 HD2 ARG 124 8.823 12.995 4.525 1001 HD3 ARG 124 HD3 ARG 124 10.140 14.093 4.931 1002 HE ARG 124 HE ARG 124 10.960 11.351 4.900 1003 HH11 ARG 124 HH11 ARG 124 10.261 14.089 2.846 1004 HH12 ARG 124 HH12 ARG 124 11.448 13.665 1.646 1005 HH21 ARG 124 HH21 ARG 124 12.517 10.766 3.331 1006 HH22 ARG 124 HH22 ARG 124 12.710 11.754 1.915 1007 H ASP 125 H ASP 125 8.867 12.831 11.057 1008 HA ASP 125 HA ASP 125 11.266 11.505 11.062 1009 HB2 ASP 125 HB2 ASP 125 12.132 13.898 10.525 1010 HB3 ASP 125 HB3 ASP 125 11.805 14.226 12.225 1011 H ILE 126 H ILE 126 12.079 11.101 13.272 1012 HA ILE 126 HA ILE 126 9.855 11.226 15.181 1013 HB ILE 126 HB ILE 126 12.328 9.487 15.258 1014 HG12 ILE 126 HG12 ILE 126 10.876 8.935 13.347 1015 HG13 ILE 126 HG13 ILE 126 10.861 7.653 14.554 1016 HG21 ILE 126 HG21 ILE 126 11.108 8.211 16.962 1017 HG22 ILE 126 HG22 ILE 126 9.799 9.390 16.898 1018 HG23 ILE 126 HG23 ILE 126 11.396 9.876 17.466 1019 HD11 ILE 126 HD11 ILE 126 8.641 8.058 13.669 1020 HD12 ILE 126 HD12 ILE 126 8.733 9.746 14.173 1021 HD13 ILE 126 HD13 ILE 126 8.716 8.463 15.383 1022 H ASP 127 H ASP 127 13.152 12.249 14.681 1023 HA ASP 127 HA ASP 127 13.703 12.512 17.507 1024 HB2 ASP 127 HB2 ASP 127 15.452 11.720 16.020 1025 HB3 ASP 127 HB3 ASP 127 15.361 13.205 15.080 1026 H GLU 128 H GLU 128 12.958 14.675 14.826 1027 HA GLU 128 HA GLU 128 13.751 16.999 16.359 1028 HB2 GLU 128 HB2 GLU 128 13.083 18.278 14.360 1029 HB3 GLU 128 HB3 GLU 128 14.244 17.009 14.010 1030 HG2 GLU 128 HG2 GLU 128 12.526 15.618 13.079 1031 HG3 GLU 128 HG3 GLU 128 11.281 16.776 13.556 1032 H ILE 129 H ILE 129 11.454 15.340 17.261 1033 HA ILE 129 HA ILE 129 9.417 17.471 17.281 1034 HB ILE 129 HB ILE 129 9.003 14.570 18.029 1035 HG12 ILE 129 HG12 ILE 129 8.311 15.964 15.429 1036 HG13 ILE 129 HG13 ILE 129 9.575 14.758 15.639 1037 HG21 ILE 129 HG21 ILE 129 6.622 15.138 17.837 1038 HG22 ILE 129 HG22 ILE 129 7.056 16.810 17.483 1039 HG23 ILE 129 HG23 ILE 129 7.433 16.116 19.060 1040 HD11 ILE 129 HD11 ILE 129 7.595 13.792 14.627 1041 HD12 ILE 129 HD12 ILE 129 6.623 14.303 16.007 1042 HD13 ILE 129 HD13 ILE 129 7.889 13.095 16.219 1043 H ASP 130 H ASP 130 9.462 18.643 19.121 1044 HA ASP 130 HA ASP 130 9.313 17.425 21.663 1045 HB2 ASP 130 HB2 ASP 130 11.406 18.110 22.664 1046 HB3 ASP 130 HB3 ASP 130 11.733 17.068 21.288 1047 H ASP 131 H ASP 131 10.459 19.486 23.179 1048 HA ASP 131 HA ASP 131 8.215 21.125 23.446 1049 HB2 ASP 131 HB2 ASP 131 9.612 20.598 25.330 1050 HB3 ASP 131 HB3 ASP 131 11.005 21.358 24.571 1051 H GLU 132 H GLU 132 11.048 21.566 21.502 1052 HA GLU 132 HA GLU 132 11.233 24.353 21.461 1053 HB2 GLU 132 HB2 GLU 132 12.462 24.157 19.387 1054 HB3 GLU 132 HB3 GLU 132 12.944 22.861 20.472 1055 HG2 GLU 132 HG2 GLU 132 11.952 21.232 19.179 1056 HG3 GLU 132 HG3 GLU 132 10.815 22.361 18.446 1057 H LEU 133 H LEU 133 9.289 22.196 19.446 1058 HA LEU 133 HA LEU 133 8.054 24.448 18.105 1059 HB2 LEU 133 HB2 LEU 133 6.710 22.645 16.969 1060 HB3 LEU 133 HB3 LEU 133 8.438 22.589 16.692 1061 HG LEU 133 HG LEU 133 8.340 20.874 18.718 1062 HD11 LEU 133 HD11 LEU 133 6.351 19.479 18.621 1063 HD12 LEU 133 HD12 LEU 133 5.622 20.582 17.454 1064 HD13 LEU 133 HD13 LEU 133 5.941 21.126 19.100 1065 HD21 LEU 133 HD21 LEU 133 8.255 19.070 17.078 1066 HD22 LEU 133 HD22 LEU 133 9.227 20.421 16.493 1067 HD23 LEU 133 HD23 LEU 133 7.590 20.183 15.883 1068 H LEU 134 H LEU 134 7.474 22.261 20.697 1069 HA LEU 134 HA LEU 134 4.723 22.415 21.015 1070 HB2 LEU 134 HB2 LEU 134 5.925 20.821 22.249 1071 HB3 LEU 134 HB3 LEU 134 7.003 22.023 22.925 1072 HG LEU 134 HG LEU 134 5.132 22.908 24.264 1073 HD11 LEU 134 HD11 LEU 134 3.260 22.208 22.877 1074 HD12 LEU 134 HD12 LEU 134 3.093 21.547 24.504 1075 HD13 LEU 134 HD13 LEU 134 3.643 20.514 23.185 1076 HD21 LEU 134 HD21 LEU 134 5.077 21.072 25.870 1077 HD22 LEU 134 HD22 LEU 134 6.697 21.312 25.214 1078 HD23 LEU 134 HD23 LEU 134 5.700 19.977 24.636 1079 H GLU 135 H GLU 135 7.142 24.834 21.662 1080 HA GLU 135 HA GLU 135 5.822 26.336 23.620 1081 HB2 GLU 135 HB2 GLU 135 7.761 27.145 21.466 1082 HB3 GLU 135 HB3 GLU 135 7.146 28.281 22.658 1083 HG2 GLU 135 HG2 GLU 135 8.041 26.774 24.435 1084 HG3 GLU 135 HG3 GLU 135 8.808 25.826 23.160 1085 H SER 136 H SER 136 5.252 26.153 20.174 1086 HA SER 136 HA SER 136 3.036 28.038 20.509 1087 HB2 SER 136 HB2 SER 136 5.023 29.262 19.594 1088 HB3 SER 136 HB3 SER 136 4.987 28.187 18.198 1089 HG SER 136 HG SER 136 2.712 28.949 17.998 1090 H LYS 137 H LYS 137 3.501 25.044 20.056 1091 HA LYS 137 HA LYS 137 2.308 24.644 17.438 1092 HB2 LYS 137 HB2 LYS 137 4.060 23.149 18.949 1093 HB3 LYS 137 HB3 LYS 137 2.542 22.282 19.143 1094 HG2 LYS 137 HG2 LYS 137 3.703 21.337 17.289 1095 HG3 LYS 137 HG3 LYS 137 2.325 22.243 16.660 1096 HD2 LYS 137 HD2 LYS 137 3.813 24.131 16.154 1097 HD3 LYS 137 HD3 LYS 137 5.184 23.202 16.763 1098 HE2 LYS 137 HE2 LYS 137 4.733 21.488 15.027 1099 HE3 LYS 137 HE3 LYS 137 3.459 22.523 14.382 1100 HZ1 LYS 137 HZ1 LYS 137 5.354 22.957 13.085 1101 HZ2 LYS 137 HZ2 LYS 137 6.379 23.026 14.427 1102 HZ3 LYS 137 HZ3 LYS 137 5.261 24.272 14.154 1103 H PHE 138 H PHE 138 1.317 24.874 20.706 1104 HA PHE 138 HA PHE 138 -1.162 23.412 20.194 1105 HB2 PHE 138 HB2 PHE 138 -1.473 23.377 22.621 1106 HB3 PHE 138 HB3 PHE 138 0.087 22.712 22.174 1107 HD1 PHE 138 HD1 PHE 138 1.793 25.062 21.918 1108 HD2 PHE 138 HD2 PHE 138 -1.294 24.243 24.726 1109 HE1 PHE 138 HE1 PHE 138 2.878 26.555 23.543 1110 HE2 PHE 138 HE2 PHE 138 -0.213 25.738 26.352 1111 HZ PHE 138 HZ PHE 138 1.875 26.896 25.761 Start of MODEL 8 1 H MET 1 H MET 1 4.000 -2.526 -4.992 2 HA MET 1 HA MET 1 4.704 -4.309 -2.734 3 HB2 MET 1 HB2 MET 1 4.826 -2.263 -1.398 4 HB3 MET 1 HB3 MET 1 5.985 -2.212 -2.717 5 HG2 MET 1 HG2 MET 1 4.494 -0.758 -3.982 6 HG3 MET 1 HG3 MET 1 3.315 -0.821 -2.674 7 HE1 MET 1 HE1 MET 1 3.679 0.256 -0.292 8 HE2 MET 1 HE2 MET 1 5.172 1.045 0.213 9 HE3 MET 1 HE3 MET 1 5.149 -0.694 -0.082 10 H THR 2 H THR 2 3.182 -3.347 -0.811 11 HA THR 2 HA THR 2 0.547 -4.145 -1.644 12 HB THR 2 HB THR 2 1.324 -3.110 1.079 13 HG1 THR 2 HG1 THR 2 1.620 -5.486 1.473 14 HG21 THR 2 HG21 THR 2 -0.773 -5.072 0.143 15 HG22 THR 2 HG22 THR 2 -1.063 -3.421 0.691 16 HG23 THR 2 HG23 THR 2 -0.460 -4.632 1.822 17 H SER 3 H SER 3 -0.348 -2.552 -2.911 18 HA SER 3 HA SER 3 -0.500 0.157 -1.833 19 HB2 SER 3 HB2 SER 3 -1.573 0.580 -4.131 20 HB3 SER 3 HB3 SER 3 0.136 0.149 -4.113 21 HG SER 3 HG SER 3 -0.815 -1.134 -5.646 22 H SER 4 H SER 4 -2.106 0.340 -0.356 23 HA SER 4 HA SER 4 -4.801 -0.003 -1.261 24 HB2 SER 4 HB2 SER 4 -5.425 -1.517 0.682 25 HB3 SER 4 HB3 SER 4 -4.519 -2.276 -0.625 26 HG SER 4 HG SER 4 -2.940 -1.197 1.346 27 H LEU 5 H LEU 5 -5.451 1.968 -0.745 28 HA LEU 5 HA LEU 5 -5.021 2.969 1.979 29 HB2 LEU 5 HB2 LEU 5 -4.718 4.356 -0.194 30 HB3 LEU 5 HB3 LEU 5 -6.467 4.392 -0.249 31 HG LEU 5 HG LEU 5 -4.827 5.462 2.056 32 HD11 LEU 5 HD11 LEU 5 -6.105 6.921 -0.256 33 HD12 LEU 5 HD12 LEU 5 -4.374 6.721 0.019 34 HD13 LEU 5 HD13 LEU 5 -5.340 7.676 1.143 35 HD21 LEU 5 HD21 LEU 5 -6.894 6.582 2.702 36 HD22 LEU 5 HD22 LEU 5 -7.125 4.833 2.652 37 HD23 LEU 5 HD23 LEU 5 -7.737 5.840 1.340 38 H THR 6 H THR 6 -6.528 2.499 3.444 39 HA THR 6 HA THR 6 -9.317 2.214 2.591 40 HB THR 6 HB THR 6 -7.924 0.289 4.461 41 HG1 THR 6 HG1 THR 6 -8.529 0.161 1.695 42 HG21 THR 6 HG21 THR 6 -10.314 0.575 4.913 43 HG22 THR 6 HG22 THR 6 -9.983 -1.025 4.250 44 HG23 THR 6 HG23 THR 6 -10.680 0.227 3.223 45 H ILE 7 H ILE 7 -10.640 3.405 3.857 46 HA ILE 7 HA ILE 7 -9.564 4.536 6.298 47 HB ILE 7 HB ILE 7 -11.601 5.866 6.422 48 HG12 ILE 7 HG12 ILE 7 -13.018 5.606 4.126 49 HG13 ILE 7 HG13 ILE 7 -12.572 3.924 4.407 50 HG21 ILE 7 HG21 ILE 7 -10.436 5.820 3.645 51 HG22 ILE 7 HG22 ILE 7 -9.771 6.664 5.045 52 HG23 ILE 7 HG23 ILE 7 -11.324 7.161 4.372 53 HD11 ILE 7 HD11 ILE 7 -13.591 4.025 6.620 54 HD12 ILE 7 HD12 ILE 7 -14.749 4.456 5.362 55 HD13 ILE 7 HD13 ILE 7 -14.014 5.716 6.354 56 H CYS 8 H CYS 8 -10.428 4.202 8.368 57 HA CYS 8 HA CYS 8 -11.718 1.565 8.570 58 HB2 CYS 8 HB2 CYS 8 -9.537 2.734 10.301 59 HB3 CYS 8 HB3 CYS 8 -10.302 1.166 10.542 60 HG CYS 8 HG CYS 8 -8.638 1.936 7.659 61 H SER 9 H SER 9 -12.802 1.116 10.618 62 HA SER 9 HA SER 9 -14.274 3.474 11.538 63 HB2 SER 9 HB2 SER 9 -14.852 0.548 12.052 64 HB3 SER 9 HB3 SER 9 -15.944 1.908 12.314 65 HG SER 9 HG SER 9 -16.263 0.666 10.325 66 H ILE 10 H ILE 10 -14.763 3.634 13.874 67 HA ILE 10 HA ILE 10 -12.476 2.705 15.469 68 HB ILE 10 HB ILE 10 -14.347 5.026 16.006 69 HG12 ILE 10 HG12 ILE 10 -12.089 6.296 15.814 70 HG13 ILE 10 HG13 ILE 10 -11.526 4.864 14.964 71 HG21 ILE 10 HG21 ILE 10 -13.639 3.996 18.081 72 HG22 ILE 10 HG22 ILE 10 -12.848 5.559 17.874 73 HG23 ILE 10 HG23 ILE 10 -11.953 4.071 17.568 74 HD11 ILE 10 HD11 ILE 10 -12.232 6.564 13.399 75 HD12 ILE 10 HD12 ILE 10 -13.826 6.631 14.150 76 HD13 ILE 10 HD13 ILE 10 -13.310 5.171 13.306 77 HA PRO 11 HA PRO 11 -15.508 -0.073 17.366 78 HB2 PRO 11 HB2 PRO 11 -13.659 -1.050 19.182 79 HB3 PRO 11 HB3 PRO 11 -13.933 -1.713 17.569 80 HG2 PRO 11 HG2 PRO 11 -11.811 0.150 18.524 81 HG3 PRO 11 HG3 PRO 11 -11.697 -1.176 17.355 82 HD2 PRO 11 HD2 PRO 11 -11.786 1.401 16.590 83 HD3 PRO 11 HD3 PRO 11 -12.535 0.111 15.628 84 H ASP 12 H ASP 12 -16.610 -0.059 19.351 85 HA ASP 12 HA ASP 12 -16.706 2.461 20.620 86 HB2 ASP 12 HB2 ASP 12 -18.640 0.924 20.480 87 HB3 ASP 12 HB3 ASP 12 -17.850 -0.154 21.626 88 H GLY 13 H GLY 13 -15.157 -0.565 21.525 89 HA2 GLY 13 HA2 GLY 13 -14.476 -0.027 24.157 90 HA3 GLY 13 HA3 GLY 13 -13.513 -1.008 23.065 91 H VAL 14 H VAL 14 -12.455 0.661 21.283 92 HA VAL 14 HA VAL 14 -10.561 2.108 22.881 93 HB VAL 14 HB VAL 14 -9.366 2.590 20.856 94 HG11 VAL 14 HG11 VAL 14 -10.487 -0.205 20.754 95 HG12 VAL 14 HG12 VAL 14 -9.133 0.338 21.745 96 HG13 VAL 14 HG13 VAL 14 -8.995 0.339 19.986 97 HG21 VAL 14 HG21 VAL 14 -10.227 1.988 18.645 98 HG22 VAL 14 HG22 VAL 14 -11.215 3.223 19.425 99 HG23 VAL 14 HG23 VAL 14 -11.772 1.549 19.372 100 H LYS 15 H LYS 15 -13.431 2.874 21.140 101 HA LYS 15 HA LYS 15 -13.024 5.660 20.874 102 HB2 LYS 15 HB2 LYS 15 -14.750 4.962 19.541 103 HB3 LYS 15 HB3 LYS 15 -15.329 3.792 20.712 104 HG2 LYS 15 HG2 LYS 15 -15.665 6.672 21.345 105 HG3 LYS 15 HG3 LYS 15 -16.695 5.958 20.104 106 HD2 LYS 15 HD2 LYS 15 -17.209 4.129 21.780 107 HD3 LYS 15 HD3 LYS 15 -16.420 5.141 22.987 108 HE2 LYS 15 HE2 LYS 15 -18.025 6.911 22.600 109 HE3 LYS 15 HE3 LYS 15 -18.781 5.976 21.307 110 HZ1 LYS 15 HZ1 LYS 15 -18.747 5.362 24.208 111 HZ2 LYS 15 HZ2 LYS 15 -19.210 4.229 23.035 112 HZ3 LYS 15 HZ3 LYS 15 -20.099 5.660 23.223 113 H GLU 16 H GLU 16 -14.438 3.649 23.418 114 HA GLU 16 HA GLU 16 -15.078 5.843 25.128 115 HB2 GLU 16 HB2 GLU 16 -16.047 3.497 25.273 116 HB3 GLU 16 HB3 GLU 16 -14.517 3.002 25.987 117 HG2 GLU 16 HG2 GLU 16 -14.859 4.654 27.787 118 HG3 GLU 16 HG3 GLU 16 -16.432 5.041 27.093 119 H ASP 17 H ASP 17 -12.335 3.668 24.763 120 HA ASP 17 HA ASP 17 -10.761 4.580 26.893 121 HB2 ASP 17 HB2 ASP 17 -10.258 2.558 25.575 122 HB3 ASP 17 HB3 ASP 17 -9.879 3.560 24.180 123 H LEU 18 H LEU 18 -11.147 5.769 23.597 124 HA LEU 18 HA LEU 18 -9.216 7.852 23.788 125 HB2 LEU 18 HB2 LEU 18 -10.009 6.941 21.645 126 HB3 LEU 18 HB3 LEU 18 -11.614 7.565 21.971 127 HG LEU 18 HG LEU 18 -10.668 9.874 21.930 128 HD11 LEU 18 HD11 LEU 18 -8.458 10.213 20.946 129 HD12 LEU 18 HD12 LEU 18 -8.189 8.469 20.946 130 HD13 LEU 18 HD13 LEU 18 -8.359 9.336 22.472 131 HD21 LEU 18 HD21 LEU 18 -11.779 8.957 19.983 132 HD22 LEU 18 HD22 LEU 18 -10.277 8.199 19.454 133 HD23 LEU 18 HD23 LEU 18 -10.415 9.957 19.489 134 H LYS 19 H LYS 19 -12.615 7.574 24.560 135 HA LYS 19 HA LYS 19 -13.103 10.348 24.957 136 HB2 LYS 19 HB2 LYS 19 -14.585 7.917 25.119 137 HB3 LYS 19 HB3 LYS 19 -14.800 8.784 26.632 138 HG2 LYS 19 HG2 LYS 19 -16.522 9.658 25.438 139 HG3 LYS 19 HG3 LYS 19 -15.260 10.811 25.011 140 HD2 LYS 19 HD2 LYS 19 -15.895 8.383 23.347 141 HD3 LYS 19 HD3 LYS 19 -16.689 9.937 23.108 142 HE2 LYS 19 HE2 LYS 19 -14.432 10.950 22.760 143 HE3 LYS 19 HE3 LYS 19 -13.749 9.326 22.829 144 HZ1 LYS 19 HZ1 LYS 19 -15.005 8.702 20.905 145 HZ2 LYS 19 HZ2 LYS 19 -14.177 10.131 20.548 146 HZ3 LYS 19 HZ3 LYS 19 -15.832 10.177 20.893 147 H LYS 20 H LYS 20 -12.035 7.703 27.017 148 HA LYS 20 HA LYS 20 -12.251 8.998 29.499 149 HB2 LYS 20 HB2 LYS 20 -10.303 6.841 28.669 150 HB3 LYS 20 HB3 LYS 20 -10.657 7.309 30.325 151 HG2 LYS 20 HG2 LYS 20 -12.591 6.091 28.367 152 HG3 LYS 20 HG3 LYS 20 -11.832 5.278 29.736 153 HD2 LYS 20 HD2 LYS 20 -12.978 6.761 31.277 154 HD3 LYS 20 HD3 LYS 20 -13.681 7.656 29.932 155 HE2 LYS 20 HE2 LYS 20 -15.286 6.086 30.894 156 HE3 LYS 20 HE3 LYS 20 -14.896 5.670 29.227 157 HZ1 LYS 20 HZ1 LYS 20 -14.933 3.696 30.558 158 HZ2 LYS 20 HZ2 LYS 20 -13.837 4.356 31.675 159 HZ3 LYS 20 HZ3 LYS 20 -13.330 3.997 30.095 160 H PHE 21 H PHE 21 -10.027 9.460 26.940 161 HA PHE 21 HA PHE 21 -7.743 10.319 28.242 162 HB2 PHE 21 HB2 PHE 21 -7.996 9.851 25.813 163 HB3 PHE 21 HB3 PHE 21 -8.966 11.305 25.654 164 HD1 PHE 21 HD1 PHE 21 -7.726 13.455 26.679 165 HD2 PHE 21 HD2 PHE 21 -5.830 9.988 25.130 166 HE1 PHE 21 HE1 PHE 21 -5.748 14.754 26.220 167 HE2 PHE 21 HE2 PHE 21 -3.805 11.305 24.669 168 HZ PHE 21 HZ PHE 21 -3.759 13.707 25.216 169 H ARG 22 H ARG 22 -10.704 12.059 27.328 170 HA ARG 22 HA ARG 22 -9.641 14.510 28.493 171 HB2 ARG 22 HB2 ARG 22 -11.519 15.646 27.506 172 HB3 ARG 22 HB3 ARG 22 -10.797 14.594 26.300 173 HG2 ARG 22 HG2 ARG 22 -12.580 12.944 26.715 174 HG3 ARG 22 HG3 ARG 22 -13.321 14.068 27.857 175 HD2 ARG 22 HD2 ARG 22 -12.917 14.458 24.896 176 HD3 ARG 22 HD3 ARG 22 -14.447 14.280 25.752 177 HE ARG 22 HE ARG 22 -13.078 16.500 26.792 178 HH11 ARG 22 HH11 ARG 22 -14.784 15.489 23.900 179 HH12 ARG 22 HH12 ARG 22 -15.185 17.113 23.416 180 HH21 ARG 22 HH21 ARG 22 -13.585 18.639 26.135 181 HH22 ARG 22 HH22 ARG 22 -14.469 18.901 24.664 182 H PHE 23 H PHE 23 -11.860 11.966 29.276 183 HA PHE 23 HA PHE 23 -13.240 13.487 31.305 184 HB2 PHE 23 HB2 PHE 23 -13.284 10.567 30.556 185 HB3 PHE 23 HB3 PHE 23 -14.156 11.192 31.952 186 HD1 PHE 23 HD1 PHE 23 -15.654 13.320 31.395 187 HD2 PHE 23 HD2 PHE 23 -14.438 10.363 28.591 188 HE1 PHE 23 HE1 PHE 23 -17.550 13.918 29.949 189 HE2 PHE 23 HE2 PHE 23 -16.330 10.956 27.137 190 HZ PHE 23 HZ PHE 23 -17.890 12.739 27.815 191 H SER 24 H SER 24 -10.517 11.326 31.132 192 HA SER 24 HA SER 24 -10.010 11.870 33.970 193 HB2 SER 24 HB2 SER 24 -9.448 9.254 32.544 194 HB3 SER 24 HB3 SER 24 -9.108 9.609 34.238 195 HG SER 24 HG SER 24 -11.052 8.532 34.182 196 H LYS 25 H LYS 25 -8.679 13.583 33.353 197 HA LYS 25 HA LYS 25 -6.144 12.770 32.116 198 HB2 LYS 25 HB2 LYS 25 -6.122 15.237 31.248 199 HB3 LYS 25 HB3 LYS 25 -6.990 13.997 30.361 200 HG2 LYS 25 HG2 LYS 25 -8.338 15.965 30.432 201 HG3 LYS 25 HG3 LYS 25 -9.086 14.747 31.460 202 HD2 LYS 25 HD2 LYS 25 -8.173 15.834 33.439 203 HD3 LYS 25 HD3 LYS 25 -7.368 17.033 32.425 204 HE2 LYS 25 HE2 LYS 25 -9.449 17.902 33.391 205 HE3 LYS 25 HE3 LYS 25 -9.521 17.836 31.630 206 HZ1 LYS 25 HZ1 LYS 25 -10.681 15.783 33.442 207 HZ2 LYS 25 HZ2 LYS 25 -10.839 15.849 31.754 208 HZ3 LYS 25 HZ3 LYS 25 -11.564 17.038 32.718 209 H SER 26 H SER 26 -4.379 14.386 32.545 210 HA SER 26 HA SER 26 -4.547 15.245 35.350 211 HB2 SER 26 HB2 SER 26 -2.821 13.543 34.818 212 HB3 SER 26 HB3 SER 26 -2.100 14.652 33.654 213 HG SER 26 HG SER 26 -1.379 14.473 36.076 214 H THR 27 H THR 27 -2.857 17.132 35.737 215 HA THR 27 HA THR 27 -3.680 19.322 34.015 216 HB THR 27 HB THR 27 -1.807 19.563 36.366 217 HG1 THR 27 HG1 THR 27 -4.499 18.837 36.336 218 HG21 THR 27 HG21 THR 27 -3.917 21.400 35.216 219 HG22 THR 27 HG22 THR 27 -2.176 21.560 34.982 220 HG23 THR 27 HG23 THR 27 -2.871 21.762 36.590 221 H THR 28 H THR 28 -1.403 17.055 33.820 222 HA THR 28 HA THR 28 0.612 18.794 32.584 223 HB THR 28 HB THR 28 0.936 15.821 32.971 224 HG1 THR 28 HG1 THR 28 1.650 16.184 35.068 225 HG21 THR 28 HG21 THR 28 3.308 16.427 33.188 226 HG22 THR 28 HG22 THR 28 2.890 18.131 33.011 227 HG23 THR 28 HG23 THR 28 2.640 17.018 31.666 228 H MET 29 H MET 29 1.617 16.946 30.686 229 HA MET 29 HA MET 29 -0.632 17.001 28.828 230 HB2 MET 29 HB2 MET 29 1.116 16.703 27.061 231 HB3 MET 29 HB3 MET 29 1.245 18.192 27.983 232 HG2 MET 29 HG2 MET 29 3.020 17.138 29.346 233 HG3 MET 29 HG3 MET 29 2.931 15.722 28.299 234 HE1 MET 29 HE1 MET 29 5.581 16.006 27.897 235 HE2 MET 29 HE2 MET 29 5.592 17.458 28.898 236 HE3 MET 29 HE3 MET 29 6.314 17.490 27.289 237 H ASN 30 H ASN 30 -1.474 15.295 27.923 238 HA ASN 30 HA ASN 30 -0.457 12.621 28.718 239 HB2 ASN 30 HB2 ASN 30 -3.319 13.179 27.962 240 HB3 ASN 30 HB3 ASN 30 -2.680 11.931 29.030 241 HD21 ASN 30 HD21 ASN 30 -3.715 15.235 28.770 242 HD22 ASN 30 HD22 ASN 30 -3.729 15.587 30.460 243 H ALA 31 H ALA 31 0.168 11.399 27.024 244 HA ALA 31 HA ALA 31 -0.773 12.192 24.352 245 HB1 ALA 31 HB1 ALA 31 1.760 10.739 25.094 246 HB2 ALA 31 HB2 ALA 31 1.629 12.448 24.678 247 HB3 ALA 31 HB3 ALA 31 1.269 11.217 23.468 248 H LEU 32 H LEU 32 -2.063 10.858 23.325 249 HA LEU 32 HA LEU 32 -1.946 7.991 23.990 250 HB2 LEU 32 HB2 LEU 32 -4.111 9.324 24.429 251 HB3 LEU 32 HB3 LEU 32 -4.279 9.384 22.688 252 HG LEU 32 HG LEU 32 -4.063 6.777 24.191 253 HD11 LEU 32 HD11 LEU 32 -6.564 8.264 23.399 254 HD12 LEU 32 HD12 LEU 32 -5.983 8.029 25.047 255 HD13 LEU 32 HD13 LEU 32 -6.496 6.642 24.085 256 HD21 LEU 32 HD21 LEU 32 -5.135 5.869 22.192 257 HD22 LEU 32 HD22 LEU 32 -3.618 6.675 21.789 258 HD23 LEU 32 HD23 LEU 32 -5.156 7.477 21.467 259 H ILE 33 H ILE 33 -0.765 7.012 22.504 260 HA ILE 33 HA ILE 33 -0.701 7.984 19.761 261 HB ILE 33 HB ILE 33 0.727 5.593 20.949 262 HG12 ILE 33 HG12 ILE 33 1.737 8.421 20.544 263 HG13 ILE 33 HG13 ILE 33 1.348 7.692 22.099 264 HG21 ILE 33 HG21 ILE 33 1.220 7.157 18.418 265 HG22 ILE 33 HG22 ILE 33 0.549 5.529 18.521 266 HG23 ILE 33 HG23 ILE 33 2.216 5.831 19.014 267 HD11 ILE 33 HD11 ILE 33 3.525 6.804 20.217 268 HD12 ILE 33 HD12 ILE 33 3.135 6.053 21.764 269 HD13 ILE 33 HD13 ILE 33 3.741 7.709 21.716 270 H LEU 34 H LEU 34 -1.814 7.067 18.126 271 HA LEU 34 HA LEU 34 -3.375 4.654 18.769 272 HB2 LEU 34 HB2 LEU 34 -5.209 5.709 17.342 273 HB3 LEU 34 HB3 LEU 34 -4.975 6.327 18.967 274 HG LEU 34 HG LEU 34 -3.445 7.752 16.921 275 HD11 LEU 34 HD11 LEU 34 -5.466 7.257 15.627 276 HD12 LEU 34 HD12 LEU 34 -5.378 8.968 16.042 277 HD13 LEU 34 HD13 LEU 34 -6.461 7.900 16.934 278 HD21 LEU 34 HD21 LEU 34 -5.349 8.619 19.091 279 HD22 LEU 34 HD22 LEU 34 -4.309 9.686 18.147 280 HD23 LEU 34 HD23 LEU 34 -3.596 8.494 19.234 281 H LYS 35 H LYS 35 -4.380 3.659 16.787 282 HA LYS 35 HA LYS 35 -2.414 3.599 14.608 283 HB2 LYS 35 HB2 LYS 35 -1.651 1.942 16.094 284 HB3 LYS 35 HB3 LYS 35 -3.278 1.417 16.479 285 HG2 LYS 35 HG2 LYS 35 -2.448 -0.293 15.178 286 HG3 LYS 35 HG3 LYS 35 -3.394 0.659 14.036 287 HD2 LYS 35 HD2 LYS 35 -1.433 1.653 13.122 288 HD3 LYS 35 HD3 LYS 35 -0.423 0.978 14.407 289 HE2 LYS 35 HE2 LYS 35 -1.953 -0.610 12.359 290 HE3 LYS 35 HE3 LYS 35 -0.218 -0.288 12.307 291 HZ1 LYS 35 HZ1 LYS 35 0.017 -1.481 14.410 292 HZ2 LYS 35 HZ2 LYS 35 -0.678 -2.481 13.228 293 HZ3 LYS 35 HZ3 LYS 35 -1.645 -1.801 14.439 294 H ILE 36 H ILE 36 -3.406 3.577 12.673 295 HA ILE 36 HA ILE 36 -6.102 2.445 12.430 296 HB ILE 36 HB ILE 36 -4.382 3.969 10.457 297 HG12 ILE 36 HG12 ILE 36 -7.120 4.686 11.515 298 HG13 ILE 36 HG13 ILE 36 -5.634 5.267 12.242 299 HG21 ILE 36 HG21 ILE 36 -5.581 2.222 9.265 300 HG22 ILE 36 HG22 ILE 36 -6.249 3.807 8.879 301 HG23 ILE 36 HG23 ILE 36 -7.101 2.740 9.995 302 HD11 ILE 36 HD11 ILE 36 -6.550 6.927 10.778 303 HD12 ILE 36 HD12 ILE 36 -6.539 5.783 9.436 304 HD13 ILE 36 HD13 ILE 36 -5.018 6.330 10.141 305 H ASP 37 H ASP 37 -6.311 0.390 11.784 306 HA ASP 37 HA ASP 37 -4.029 -0.811 10.366 307 HB2 ASP 37 HB2 ASP 37 -4.537 -1.764 12.650 308 HB3 ASP 37 HB3 ASP 37 -6.075 -2.325 11.995 309 H ARG 38 H ARG 38 -4.489 -0.838 8.283 310 HA ARG 38 HA ARG 38 -7.130 -0.568 7.303 311 HB2 ARG 38 HB2 ARG 38 -6.135 -0.680 5.083 312 HB3 ARG 38 HB3 ARG 38 -5.209 0.384 6.132 313 HG2 ARG 38 HG2 ARG 38 -3.569 -1.409 6.483 314 HG3 ARG 38 HG3 ARG 38 -4.491 -2.447 5.394 315 HD2 ARG 38 HD2 ARG 38 -4.133 -0.861 3.570 316 HD3 ARG 38 HD3 ARG 38 -3.234 0.194 4.660 317 HE ARG 38 HE ARG 38 -2.172 -2.480 4.494 318 HH11 ARG 38 HH11 ARG 38 -2.163 0.689 3.004 319 HH12 ARG 38 HH12 ARG 38 -0.546 0.522 2.364 320 HH21 ARG 38 HH21 ARG 38 -0.068 -2.705 3.642 321 HH22 ARG 38 HH22 ARG 38 0.633 -1.404 2.718 322 H GLU 39 H GLU 39 -5.349 -3.331 8.195 323 HA GLU 39 HA GLU 39 -6.801 -5.057 6.348 324 HB2 GLU 39 HB2 GLU 39 -4.342 -5.372 6.874 325 HB3 GLU 39 HB3 GLU 39 -4.836 -5.902 8.477 326 HG2 GLU 39 HG2 GLU 39 -6.021 -7.768 7.567 327 HG3 GLU 39 HG3 GLU 39 -5.766 -7.186 5.922 328 H SER 40 H SER 40 -6.631 -4.239 9.758 329 HA SER 40 HA SER 40 -8.768 -6.049 10.461 330 HB2 SER 40 HB2 SER 40 -7.654 -3.712 12.037 331 HB3 SER 40 HB3 SER 40 -8.640 -5.032 12.667 332 HG SER 40 HG SER 40 -6.020 -5.234 11.563 333 H HIS 41 H HIS 41 -8.425 -2.829 9.285 334 HA HIS 41 HA HIS 41 -9.903 -1.317 8.480 335 HB2 HIS 41 HB2 HIS 41 -11.053 -3.229 7.490 336 HB3 HIS 41 HB3 HIS 41 -11.961 -3.485 8.974 337 HD1 HIS 41 HD1 HIS 41 -14.240 -2.531 8.939 338 HD2 HIS 41 HD2 HIS 41 -11.676 -0.511 6.353 339 HE1 HIS 41 HE1 HIS 41 -15.660 -0.805 7.781 340 HE2 HIS 41 HE2 HIS 41 -14.086 0.440 6.254 341 H GLU 42 H GLU 42 -9.235 -1.639 11.347 342 HA GLU 42 HA GLU 42 -11.291 0.179 12.327 343 HB2 GLU 42 HB2 GLU 42 -11.259 -0.926 14.554 344 HB3 GLU 42 HB3 GLU 42 -11.976 -1.902 13.282 345 HG2 GLU 42 HG2 GLU 42 -9.882 -3.173 13.105 346 HG3 GLU 42 HG3 GLU 42 -9.207 -2.211 14.421 347 H LEU 43 H LEU 43 -10.632 1.654 13.844 348 HA LEU 43 HA LEU 43 -7.735 2.096 13.960 349 HB2 LEU 43 HB2 LEU 43 -9.334 3.872 13.119 350 HB3 LEU 43 HB3 LEU 43 -9.985 3.966 14.741 351 HG LEU 43 HG LEU 43 -7.073 4.504 14.170 352 HD11 LEU 43 HD11 LEU 43 -8.360 6.012 12.775 353 HD12 LEU 43 HD12 LEU 43 -7.661 6.893 14.133 354 HD13 LEU 43 HD13 LEU 43 -9.371 6.458 14.149 355 HD21 LEU 43 HD21 LEU 43 -7.190 5.767 16.249 356 HD22 LEU 43 HD22 LEU 43 -7.707 4.101 16.511 357 HD23 LEU 43 HD23 LEU 43 -8.907 5.389 16.400 358 H GLN 44 H GLN 44 -6.673 1.635 15.767 359 HA GLN 44 HA GLN 44 -8.237 1.182 18.225 360 HB2 GLN 44 HB2 GLN 44 -5.622 -0.094 17.393 361 HB3 GLN 44 HB3 GLN 44 -6.523 -0.447 18.859 362 HG2 GLN 44 HG2 GLN 44 -8.317 -1.412 17.595 363 HG3 GLN 44 HG3 GLN 44 -7.565 -0.921 16.078 364 HE21 GLN 44 HE21 GLN 44 -4.883 -1.599 17.053 365 HE22 GLN 44 HE22 GLN 44 -4.783 -3.325 16.995 366 H SER 45 H SER 45 -7.466 2.027 20.151 367 HA SER 45 HA SER 45 -5.413 4.056 19.954 368 HB2 SER 45 HB2 SER 45 -5.971 4.321 22.446 369 HB3 SER 45 HB3 SER 45 -7.257 4.694 21.301 370 HG SER 45 HG SER 45 -7.636 3.224 23.258 371 H GLU 46 H GLU 46 -3.360 3.385 19.940 372 HA GLU 46 HA GLU 46 -2.553 0.826 20.780 373 HB2 GLU 46 HB2 GLU 46 -0.802 3.251 20.357 374 HB3 GLU 46 HB3 GLU 46 -0.266 1.580 20.409 375 HG2 GLU 46 HG2 GLU 46 -1.680 1.142 18.411 376 HG3 GLU 46 HG3 GLU 46 -1.990 2.877 18.325 377 H GLN 47 H GLN 47 -1.786 4.022 22.202 378 HA GLN 47 HA GLN 47 -1.604 2.795 24.833 379 HB2 GLN 47 HB2 GLN 47 0.744 3.413 25.175 380 HB3 GLN 47 HB3 GLN 47 0.570 2.251 23.867 381 HG2 GLN 47 HG2 GLN 47 0.550 4.346 22.345 382 HG3 GLN 47 HG3 GLN 47 1.272 5.147 23.740 383 HE21 GLN 47 HE21 GLN 47 1.712 2.808 21.231 384 HE22 GLN 47 HE22 GLN 47 3.412 2.579 21.458 385 H LEU 48 H LEU 48 -1.531 4.262 26.525 386 HA LEU 48 HA LEU 48 -1.669 7.115 25.820 387 HB2 LEU 48 HB2 LEU 48 -3.949 6.452 26.128 388 HB3 LEU 48 HB3 LEU 48 -3.557 5.556 27.582 389 HG LEU 48 HG LEU 48 -3.048 7.683 28.738 390 HD11 LEU 48 HD11 LEU 48 -2.400 9.015 26.813 391 HD12 LEU 48 HD12 LEU 48 -3.701 9.797 27.710 392 HD13 LEU 48 HD13 LEU 48 -4.052 8.957 26.200 393 HD21 LEU 48 HD21 LEU 48 -5.342 8.426 28.973 394 HD22 LEU 48 HD22 LEU 48 -5.281 6.667 28.867 395 HD23 LEU 48 HD23 LEU 48 -5.783 7.618 27.470 396 H LEU 49 H LEU 49 -0.064 8.121 26.841 397 HA LEU 49 HA LEU 49 0.524 7.297 29.595 398 HB2 LEU 49 HB2 LEU 49 2.872 7.671 29.309 399 HB3 LEU 49 HB3 LEU 49 2.316 6.517 28.131 400 HG LEU 49 HG LEU 49 2.790 9.408 27.459 401 HD11 LEU 49 HD11 LEU 49 4.939 8.659 26.530 402 HD12 LEU 49 HD12 LEU 49 4.662 7.057 27.213 403 HD13 LEU 49 HD13 LEU 49 4.864 8.447 28.279 404 HD21 LEU 49 HD21 LEU 49 2.613 6.933 25.740 405 HD22 LEU 49 HD22 LEU 49 2.908 8.578 25.172 406 HD23 LEU 49 HD23 LEU 49 1.356 8.161 25.903 407 H ASN 50 H ASN 50 0.654 8.859 31.040 408 HA ASN 50 HA ASN 50 0.309 11.608 30.066 409 HB2 ASN 50 HB2 ASN 50 -1.242 11.922 32.027 410 HB3 ASN 50 HB3 ASN 50 -1.853 10.863 30.765 411 HD21 ASN 50 HD21 ASN 50 -0.621 11.031 34.017 412 HD22 ASN 50 HD22 ASN 50 -1.098 9.441 34.490 413 H ASP 51 H ASP 51 1.108 13.252 31.360 414 HA ASP 51 HA ASP 51 2.401 14.315 32.891 415 HB2 ASP 51 HB2 ASP 51 1.101 12.819 34.510 416 HB3 ASP 51 HB3 ASP 51 2.514 11.771 34.512 417 H CYS 52 H CYS 52 3.356 12.390 30.739 418 HA CYS 52 HA CYS 52 6.109 11.998 31.649 419 HB2 CYS 52 HB2 CYS 52 4.760 11.078 29.099 420 HB3 CYS 52 HB3 CYS 52 6.375 10.630 29.635 421 HG CYS 52 HG CYS 52 5.390 9.293 31.947 422 H SER 53 H SER 53 7.591 12.281 29.423 423 HA SER 53 HA SER 53 7.288 15.150 28.877 424 HB2 SER 53 HB2 SER 53 9.736 14.926 28.149 425 HB3 SER 53 HB3 SER 53 9.386 14.749 29.868 426 HG SER 53 HG SER 53 9.401 12.444 29.499 427 H ILE 54 H ILE 54 8.161 15.870 26.647 428 HA ILE 54 HA ILE 54 6.383 14.611 24.796 429 HB ILE 54 HB ILE 54 6.581 17.021 24.761 430 HG12 ILE 54 HG12 ILE 54 7.680 15.817 22.207 431 HG13 ILE 54 HG13 ILE 54 5.983 15.832 22.671 432 HG21 ILE 54 HG21 ILE 54 9.439 16.588 23.907 433 HG22 ILE 54 HG22 ILE 54 8.890 17.281 25.433 434 HG23 ILE 54 HG23 ILE 54 8.603 18.141 23.921 435 HD11 ILE 54 HD11 ILE 54 7.682 18.252 22.132 436 HD12 ILE 54 HD12 ILE 54 5.978 18.267 22.587 437 HD13 ILE 54 HD13 ILE 54 6.475 17.564 21.047 438 H GLU 55 H GLU 55 9.929 14.825 25.044 439 HA GLU 55 HA GLU 55 10.513 13.406 22.674 440 HB2 GLU 55 HB2 GLU 55 12.247 14.595 23.976 441 HB3 GLU 55 HB3 GLU 55 12.058 13.435 25.284 442 HG2 GLU 55 HG2 GLU 55 12.763 11.642 23.729 443 HG3 GLU 55 HG3 GLU 55 13.068 12.873 22.507 444 H GLU 56 H GLU 56 9.654 12.481 25.884 445 HA GLU 56 HA GLU 56 10.277 9.746 25.776 446 HB2 GLU 56 HB2 GLU 56 9.954 11.103 27.815 447 HB3 GLU 56 HB3 GLU 56 8.241 11.207 27.453 448 HG2 GLU 56 HG2 GLU 56 7.935 8.890 27.851 449 HG3 GLU 56 HG3 GLU 56 9.680 8.619 27.935 450 H PHE 57 H PHE 57 7.301 11.559 25.015 451 HA PHE 57 HA PHE 57 5.627 9.344 24.611 452 HB2 PHE 57 HB2 PHE 57 5.574 11.964 23.114 453 HB3 PHE 57 HB3 PHE 57 4.256 10.812 23.238 454 HD1 PHE 57 HD1 PHE 57 4.362 10.197 26.148 455 HD2 PHE 57 HD2 PHE 57 4.706 13.886 24.060 456 HE1 PHE 57 HE1 PHE 57 3.486 11.388 28.113 457 HE2 PHE 57 HE2 PHE 57 3.832 15.084 26.022 458 HZ PHE 57 HZ PHE 57 3.219 13.835 28.052 459 H LYS 58 H LYS 58 7.604 11.163 22.290 460 HA LYS 58 HA LYS 58 6.623 9.662 20.062 461 HB2 LYS 58 HB2 LYS 58 8.014 11.069 18.718 462 HB3 LYS 58 HB3 LYS 58 7.296 12.067 19.974 463 HG2 LYS 58 HG2 LYS 58 9.372 12.013 21.236 464 HG3 LYS 58 HG3 LYS 58 10.095 10.953 20.024 465 HD2 LYS 58 HD2 LYS 58 9.455 12.831 18.379 466 HD3 LYS 58 HD3 LYS 58 9.353 13.822 19.831 467 HE2 LYS 58 HE2 LYS 58 11.767 12.207 19.031 468 HE3 LYS 58 HE3 LYS 58 11.566 13.924 18.692 469 HZ1 LYS 58 HZ1 LYS 58 11.501 12.798 21.429 470 HZ2 LYS 58 HZ2 LYS 58 11.628 14.432 20.993 471 HZ3 LYS 58 HZ3 LYS 58 12.916 13.366 20.698 472 H GLU 59 H GLU 59 9.681 9.748 21.846 473 HA GLU 59 HA GLU 59 10.820 7.786 20.016 474 HB2 GLU 59 HB2 GLU 59 12.020 9.925 20.848 475 HB3 GLU 59 HB3 GLU 59 12.253 9.038 22.349 476 HG2 GLU 59 HG2 GLU 59 13.502 7.333 21.198 477 HG3 GLU 59 HG3 GLU 59 13.172 8.094 19.643 478 H GLU 60 H GLU 60 8.849 7.692 22.484 479 HA GLU 60 HA GLU 60 9.699 5.953 24.443 480 HB2 GLU 60 HB2 GLU 60 7.287 6.921 23.752 481 HB3 GLU 60 HB3 GLU 60 7.102 5.288 23.135 482 HG2 GLU 60 HG2 GLU 60 7.762 6.042 25.973 483 HG3 GLU 60 HG3 GLU 60 6.192 5.511 25.378 484 H LEU 61 H LEU 61 8.303 5.020 21.323 485 HA LEU 61 HA LEU 61 10.078 2.689 21.245 486 HB2 LEU 61 HB2 LEU 61 7.074 2.601 20.941 487 HB3 LEU 61 HB3 LEU 61 8.128 1.324 20.367 488 HG LEU 61 HG LEU 61 7.897 2.199 23.250 489 HD11 LEU 61 HD11 LEU 61 6.779 -0.229 21.857 490 HD12 LEU 61 HD12 LEU 61 5.846 1.143 22.454 491 HD13 LEU 61 HD13 LEU 61 6.703 0.099 23.588 492 HD21 LEU 61 HD21 LEU 61 10.087 1.273 22.702 493 HD22 LEU 61 HD22 LEU 61 9.318 -0.144 21.988 494 HD23 LEU 61 HD23 LEU 61 9.168 0.162 23.718 495 HA PRO 62 HA PRO 62 10.928 3.638 17.014 496 HB2 PRO 62 HB2 PRO 62 10.059 1.168 15.905 497 HB3 PRO 62 HB3 PRO 62 11.710 1.641 16.309 498 HG2 PRO 62 HG2 PRO 62 9.777 0.008 17.851 499 HG3 PRO 62 HG3 PRO 62 11.549 -0.047 17.845 500 HD2 PRO 62 HD2 PRO 62 10.190 0.987 19.911 501 HD3 PRO 62 HD3 PRO 62 11.727 1.699 19.372 502 H SER 63 H SER 63 9.563 5.136 16.310 503 HA SER 63 HA SER 63 6.795 4.813 15.940 504 HB2 SER 63 HB2 SER 63 8.517 6.764 14.422 505 HB3 SER 63 HB3 SER 63 6.858 6.971 14.989 506 HG SER 63 HG SER 63 7.577 7.222 17.046 507 H GLN 64 H GLN 64 9.294 5.251 13.470 508 HA GLN 64 HA GLN 64 9.555 4.666 11.331 509 HB2 GLN 64 HB2 GLN 64 9.385 2.307 10.769 510 HB3 GLN 64 HB3 GLN 64 10.126 2.541 12.341 511 HG2 GLN 64 HG2 GLN 64 8.006 1.933 13.413 512 HG3 GLN 64 HG3 GLN 64 7.293 1.669 11.824 513 HE21 GLN 64 HE21 GLN 64 6.849 -0.469 12.280 514 HE22 GLN 64 HE22 GLN 64 8.090 -1.681 12.354 515 H GLN 65 H GLN 65 6.339 3.478 12.244 516 HA GLN 65 HA GLN 65 5.392 3.806 9.505 517 HB2 GLN 65 HB2 GLN 65 4.873 1.807 10.951 518 HB3 GLN 65 HB3 GLN 65 3.931 2.864 11.986 519 HG2 GLN 65 HG2 GLN 65 2.386 3.304 10.182 520 HG3 GLN 65 HG3 GLN 65 3.368 2.338 9.078 521 HE21 GLN 65 HE21 GLN 65 1.718 0.895 8.653 522 HE22 GLN 65 HE22 GLN 65 1.174 -0.262 9.811 523 HA PRO 66 HA PRO 66 3.564 7.818 10.288 524 HB2 PRO 66 HB2 PRO 66 1.359 7.056 8.479 525 HB3 PRO 66 HB3 PRO 66 2.550 8.350 8.314 526 HG2 PRO 66 HG2 PRO 66 2.632 6.153 6.774 527 HG3 PRO 66 HG3 PRO 66 4.108 6.975 7.312 528 HD2 PRO 66 HD2 PRO 66 2.837 4.477 8.366 529 HD3 PRO 66 HD3 PRO 66 4.555 4.840 8.098 530 H ARG 67 H ARG 67 2.995 6.773 12.483 531 HA ARG 67 HA ARG 67 0.103 6.295 12.701 532 HB2 ARG 67 HB2 ARG 67 2.058 5.972 14.970 533 HB3 ARG 67 HB3 ARG 67 0.512 5.173 14.728 534 HG2 ARG 67 HG2 ARG 67 1.633 4.088 12.682 535 HG3 ARG 67 HG3 ARG 67 3.144 4.601 13.431 536 HD2 ARG 67 HD2 ARG 67 1.093 2.670 14.470 537 HD3 ARG 67 HD3 ARG 67 2.800 2.386 14.144 538 HE ARG 67 HE ARG 67 1.648 3.740 16.475 539 HH11 ARG 67 HH11 ARG 67 4.508 2.601 14.785 540 HH12 ARG 67 HH12 ARG 67 5.509 2.638 16.197 541 HH21 ARG 67 HH21 ARG 67 2.945 3.784 18.314 542 HH22 ARG 67 HH22 ARG 67 4.611 3.304 18.228 543 H PHE 68 H PHE 68 -0.668 7.235 15.066 544 HA PHE 68 HA PHE 68 0.112 10.081 14.878 545 HB2 PHE 68 HB2 PHE 68 -2.579 9.406 15.926 546 HB3 PHE 68 HB3 PHE 68 -2.052 10.806 15.016 547 HD1 PHE 68 HD1 PHE 68 -2.260 10.906 12.676 548 HD2 PHE 68 HD2 PHE 68 -3.103 7.293 14.752 549 HE1 PHE 68 HE1 PHE 68 -3.310 9.994 10.652 550 HE2 PHE 68 HE2 PHE 68 -4.151 6.371 12.730 551 HZ PHE 68 HZ PHE 68 -4.255 7.726 10.676 552 H ILE 69 H ILE 69 0.552 11.128 16.670 553 HA ILE 69 HA ILE 69 -0.008 9.791 19.227 554 HB ILE 69 HB ILE 69 2.348 10.001 19.017 555 HG12 ILE 69 HG12 ILE 69 1.239 12.224 20.729 556 HG13 ILE 69 HG13 ILE 69 1.583 10.568 21.219 557 HG21 ILE 69 HG21 ILE 69 3.500 12.097 18.505 558 HG22 ILE 69 HG22 ILE 69 1.944 12.890 18.269 559 HG23 ILE 69 HG23 ILE 69 2.444 11.593 17.185 560 HD11 ILE 69 HD11 ILE 69 3.950 10.939 20.901 561 HD12 ILE 69 HD12 ILE 69 3.279 12.136 22.010 562 HD13 ILE 69 HD13 ILE 69 3.635 12.580 20.339 563 H LEU 70 H LEU 70 -1.816 10.634 20.039 564 HA LEU 70 HA LEU 70 -2.355 13.484 19.599 565 HB2 LEU 70 HB2 LEU 70 -4.086 11.793 18.965 566 HB3 LEU 70 HB3 LEU 70 -4.193 11.324 20.648 567 HG LEU 70 HG LEU 70 -4.730 14.175 19.887 568 HD11 LEU 70 HD11 LEU 70 -6.069 12.843 18.338 569 HD12 LEU 70 HD12 LEU 70 -7.087 13.618 19.552 570 HD13 LEU 70 HD13 LEU 70 -6.705 11.902 19.689 571 HD21 LEU 70 HD21 LEU 70 -5.864 12.352 22.008 572 HD22 LEU 70 HD22 LEU 70 -6.217 14.068 21.809 573 HD23 LEU 70 HD23 LEU 70 -4.593 13.549 22.259 574 H LEU 71 H LEU 71 -1.386 14.647 21.143 575 HA LEU 71 HA LEU 71 -1.799 13.744 23.909 576 HB2 LEU 71 HB2 LEU 71 0.269 14.655 24.597 577 HB3 LEU 71 HB3 LEU 71 0.612 13.742 23.143 578 HG LEU 71 HG LEU 71 0.232 16.726 23.152 579 HD11 LEU 71 HD11 LEU 71 2.799 15.156 23.325 580 HD12 LEU 71 HD12 LEU 71 2.105 16.155 24.602 581 HD13 LEU 71 HD13 LEU 71 2.669 16.902 23.107 582 HD21 LEU 71 HD21 LEU 71 -0.061 15.622 20.986 583 HD22 LEU 71 HD22 LEU 71 1.514 14.850 21.166 584 HD23 LEU 71 HD23 LEU 71 1.404 16.603 21.010 585 H SER 72 H SER 72 -2.387 15.277 25.433 586 HA SER 72 HA SER 72 -3.407 17.780 24.281 587 HB2 SER 72 HB2 SER 72 -5.143 16.161 25.119 588 HB3 SER 72 HB3 SER 72 -4.448 16.332 26.730 589 HG SER 72 HG SER 72 -5.259 18.605 25.277 590 H TRP 73 H TRP 73 -2.332 19.483 24.904 591 HA TRP 73 HA TRP 73 -0.805 19.349 27.410 592 HB2 TRP 73 HB2 TRP 73 0.646 19.781 25.560 593 HB3 TRP 73 HB3 TRP 73 -0.431 21.011 24.917 594 HD1 TRP 73 HD1 TRP 73 0.359 23.388 25.352 595 HE1 TRP 73 HE1 TRP 73 1.841 24.570 27.091 596 HE3 TRP 73 HE3 TRP 73 1.398 19.403 28.384 597 HZ2 TRP 73 HZ2 TRP 73 3.258 23.905 29.434 598 HZ3 TRP 73 HZ3 TRP 73 2.823 19.766 30.355 599 HH2 TRP 73 HH2 TRP 73 3.735 21.970 30.869 600 H CYS 74 H CYS 74 -1.202 20.715 29.015 601 HA CYS 74 HA CYS 74 -3.612 22.182 29.103 602 HB2 CYS 74 HB2 CYS 74 -2.693 23.036 31.284 603 HB3 CYS 74 HB3 CYS 74 -2.712 21.280 31.136 604 HG CYS 74 HG CYS 74 0.091 23.103 30.466 605 H LYS 75 H LYS 75 -3.830 23.813 27.685 606 HA LYS 75 HA LYS 75 -1.745 25.883 27.639 607 HB2 LYS 75 HB2 LYS 75 -1.805 24.791 25.521 608 HB3 LYS 75 HB3 LYS 75 -3.559 24.837 25.469 609 HG2 LYS 75 HG2 LYS 75 -2.525 27.500 25.674 610 HG3 LYS 75 HG3 LYS 75 -1.755 26.645 24.331 611 HD2 LYS 75 HD2 LYS 75 -4.000 25.968 23.540 612 HD3 LYS 75 HD3 LYS 75 -4.714 26.943 24.824 613 HE2 LYS 75 HE2 LYS 75 -4.738 28.153 22.750 614 HE3 LYS 75 HE3 LYS 75 -3.651 28.938 23.887 615 HZ1 LYS 75 HZ1 LYS 75 -1.792 28.254 22.713 616 HZ2 LYS 75 HZ2 LYS 75 -2.885 28.619 21.467 617 HZ3 LYS 75 HZ3 LYS 75 -2.606 27.005 21.906 618 H LYS 76 H LYS 76 -2.399 27.518 28.820 619 HA LYS 76 HA LYS 76 -5.242 28.216 28.926 620 HB2 LYS 76 HB2 LYS 76 -4.155 27.921 31.085 621 HB3 LYS 76 HB3 LYS 76 -2.915 29.078 30.649 622 HG2 LYS 76 HG2 LYS 76 -4.735 30.803 30.463 623 HG3 LYS 76 HG3 LYS 76 -5.810 29.613 31.202 624 HD2 LYS 76 HD2 LYS 76 -3.216 30.508 32.422 625 HD3 LYS 76 HD3 LYS 76 -4.771 31.248 32.800 626 HE2 LYS 76 HE2 LYS 76 -5.595 29.162 33.673 627 HE3 LYS 76 HE3 LYS 76 -4.133 28.322 33.158 628 HZ1 LYS 76 HZ1 LYS 76 -4.175 30.531 35.145 629 HZ2 LYS 76 HZ2 LYS 76 -2.847 29.556 34.730 630 HZ3 LYS 76 HZ3 LYS 76 -4.175 28.883 35.549 631 H HIS 77 H HIS 77 -5.997 30.102 28.151 632 HA HIS 77 HA HIS 77 -4.120 31.784 26.678 633 HB2 HIS 77 HB2 HIS 77 -6.429 30.907 25.814 634 HB3 HIS 77 HB3 HIS 77 -7.093 32.224 26.773 635 HD1 HIS 77 HD1 HIS 77 -7.385 34.330 25.521 636 HD2 HIS 77 HD2 HIS 77 -4.386 31.958 23.881 637 HE1 HIS 77 HE1 HIS 77 -6.597 35.549 23.462 638 HE2 HIS 77 HE2 HIS 77 -4.927 34.000 22.382 639 H SER 78 H SER 78 -4.343 34.188 26.950 640 HA SER 78 HA SER 78 -3.883 34.807 29.658 641 HB2 SER 78 HB2 SER 78 -4.313 36.708 27.349 642 HB3 SER 78 HB3 SER 78 -3.571 37.108 28.898 643 HG SER 78 HG SER 78 -1.836 35.845 28.417 644 H ASP 79 H ASP 79 -6.839 34.311 28.302 645 HA ASP 79 HA ASP 79 -8.181 36.413 29.811 646 HB2 ASP 79 HB2 ASP 79 -10.277 35.454 28.815 647 HB3 ASP 79 HB3 ASP 79 -9.123 36.081 27.645 648 H GLU 80 H GLU 80 -6.699 34.204 31.086 649 HA GLU 80 HA GLU 80 -6.854 33.585 33.282 650 HB2 GLU 80 HB2 GLU 80 -9.817 34.074 33.018 651 HB3 GLU 80 HB3 GLU 80 -8.999 33.622 34.503 652 HG2 GLU 80 HG2 GLU 80 -7.763 35.693 34.495 653 HG3 GLU 80 HG3 GLU 80 -8.479 36.141 32.944 654 H ARG 81 H ARG 81 -8.739 32.070 30.790 655 HA ARG 81 HA ARG 81 -9.232 29.827 32.587 656 HB2 ARG 81 HB2 ARG 81 -11.264 29.664 31.699 657 HB3 ARG 81 HB3 ARG 81 -10.929 31.121 30.784 658 HG2 ARG 81 HG2 ARG 81 -10.155 28.434 29.721 659 HG3 ARG 81 HG3 ARG 81 -11.805 29.035 29.562 660 HD2 ARG 81 HD2 ARG 81 -10.843 31.097 28.499 661 HD3 ARG 81 HD3 ARG 81 -9.281 30.280 28.484 662 HE ARG 81 HE ARG 81 -10.970 28.532 27.244 663 HH11 ARG 81 HH11 ARG 81 -10.112 31.892 26.770 664 HH12 ARG 81 HH12 ARG 81 -10.387 31.852 25.052 665 HH21 ARG 81 HH21 ARG 81 -11.354 28.468 24.990 666 HH22 ARG 81 HH22 ARG 81 -11.098 29.894 24.039 667 H ILE 82 H ILE 82 -8.372 27.947 32.369 668 HA ILE 82 HA ILE 82 -6.388 27.628 30.265 669 HB ILE 82 HB ILE 82 -5.689 27.287 32.620 670 HG12 ILE 82 HG12 ILE 82 -5.577 24.818 30.885 671 HG13 ILE 82 HG13 ILE 82 -4.521 26.220 30.752 672 HG21 ILE 82 HG21 ILE 82 -7.525 24.894 32.532 673 HG22 ILE 82 HG22 ILE 82 -7.748 26.341 33.516 674 HG23 ILE 82 HG23 ILE 82 -6.380 25.271 33.821 675 HD11 ILE 82 HD11 ILE 82 -4.689 24.354 33.109 676 HD12 ILE 82 HD12 ILE 82 -3.637 25.763 32.982 677 HD13 ILE 82 HD13 ILE 82 -3.410 24.392 31.896 678 H SER 83 H SER 83 -6.458 26.031 28.785 679 HA SER 83 HA SER 83 -8.744 24.181 28.908 680 HB2 SER 83 HB2 SER 83 -7.718 25.560 26.411 681 HB3 SER 83 HB3 SER 83 -9.086 24.451 26.511 682 HG SER 83 HG SER 83 -9.482 26.365 28.292 683 H TYR 84 H TYR 84 -8.392 22.182 27.707 684 HA TYR 84 HA TYR 84 -5.537 21.660 27.267 685 HB2 TYR 84 HB2 TYR 84 -6.051 19.243 27.777 686 HB3 TYR 84 HB3 TYR 84 -6.147 20.337 29.147 687 HD1 TYR 84 HD1 TYR 84 -8.432 21.051 29.965 688 HD2 TYR 84 HD2 TYR 84 -7.895 17.915 27.140 689 HE1 TYR 84 HE1 TYR 84 -10.684 20.210 30.477 690 HE2 TYR 84 HE2 TYR 84 -10.147 17.070 27.643 691 HH TYR 84 HH TYR 84 -12.387 18.859 29.621 692 HA PRO 85 HA PRO 85 -7.463 21.118 23.179 693 HB2 PRO 85 HB2 PRO 85 -4.982 22.245 22.174 694 HB3 PRO 85 HB3 PRO 85 -6.622 22.880 22.026 695 HG2 PRO 85 HG2 PRO 85 -4.696 24.066 23.541 696 HG3 PRO 85 HG3 PRO 85 -6.429 24.182 23.898 697 HD2 PRO 85 HD2 PRO 85 -4.352 22.417 25.141 698 HD3 PRO 85 HD3 PRO 85 -5.687 23.304 25.909 699 H MET 86 H MET 86 -7.241 19.183 22.278 700 HA MET 86 HA MET 86 -4.678 17.792 22.579 701 HB2 MET 86 HB2 MET 86 -7.009 16.401 21.399 702 HB3 MET 86 HB3 MET 86 -5.811 15.803 22.528 703 HG2 MET 86 HG2 MET 86 -7.795 15.788 23.734 704 HG3 MET 86 HG3 MET 86 -6.983 17.259 24.266 705 HE1 MET 86 HE1 MET 86 -9.375 18.023 25.283 706 HE2 MET 86 HE2 MET 86 -10.115 16.555 24.644 707 HE3 MET 86 HE3 MET 86 -10.843 18.126 24.310 708 H LEU 87 H LEU 87 -3.430 17.361 20.834 709 HA LEU 87 HA LEU 87 -4.699 17.553 18.218 710 HB2 LEU 87 HB2 LEU 87 -2.481 18.416 17.316 711 HB3 LEU 87 HB3 LEU 87 -3.515 19.537 18.157 712 HG LEU 87 HG LEU 87 -1.159 19.923 18.634 713 HD11 LEU 87 HD11 LEU 87 -1.236 19.987 21.065 714 HD12 LEU 87 HD12 LEU 87 -2.642 18.924 21.052 715 HD13 LEU 87 HD13 LEU 87 -2.751 20.538 20.349 716 HD21 LEU 87 HD21 LEU 87 0.140 18.333 19.960 717 HD22 LEU 87 HD22 LEU 87 -0.291 17.704 18.369 718 HD23 LEU 87 HD23 LEU 87 -1.166 17.158 19.800 719 H LEU 88 H LEU 88 -3.987 16.140 16.641 720 HA LEU 88 HA LEU 88 -2.474 13.885 17.755 721 HB2 LEU 88 HB2 LEU 88 -3.611 12.448 16.157 722 HB3 LEU 88 HB3 LEU 88 -4.765 13.304 17.158 723 HG LEU 88 HG LEU 88 -4.494 14.913 14.908 724 HD11 LEU 88 HD11 LEU 88 -4.925 13.396 13.035 725 HD12 LEU 88 HD12 LEU 88 -4.634 12.016 14.093 726 HD13 LEU 88 HD13 LEU 88 -3.325 13.141 13.732 727 HD21 LEU 88 HD21 LEU 88 -6.547 14.526 16.130 728 HD22 LEU 88 HD22 LEU 88 -6.578 12.846 15.594 729 HD23 LEU 88 HD23 LEU 88 -6.785 14.150 14.424 730 H ILE 89 H ILE 89 -0.511 13.688 17.071 731 HA ILE 89 HA ILE 89 0.240 15.030 14.575 732 HB ILE 89 HB ILE 89 1.972 14.108 16.858 733 HG12 ILE 89 HG12 ILE 89 1.100 16.905 16.104 734 HG13 ILE 89 HG13 ILE 89 0.408 15.965 17.420 735 HG21 ILE 89 HG21 ILE 89 2.647 15.824 14.467 736 HG22 ILE 89 HG22 ILE 89 3.155 14.154 14.714 737 HG23 ILE 89 HG23 ILE 89 3.740 15.421 15.792 738 HD11 ILE 89 HD11 ILE 89 2.027 17.599 18.219 739 HD12 ILE 89 HD12 ILE 89 3.278 16.856 17.221 740 HD13 ILE 89 HD13 ILE 89 2.559 15.951 18.554 741 H TYR 90 H TYR 90 0.313 13.689 12.883 742 HA TYR 90 HA TYR 90 1.496 11.045 13.350 743 HB2 TYR 90 HB2 TYR 90 0.382 10.187 11.465 744 HB3 TYR 90 HB3 TYR 90 -0.814 11.198 12.252 745 HD1 TYR 90 HD1 TYR 90 1.311 10.791 9.305 746 HD2 TYR 90 HD2 TYR 90 -1.609 13.243 11.198 747 HE1 TYR 90 HE1 TYR 90 0.914 11.949 7.175 748 HE2 TYR 90 HE2 TYR 90 -2.012 14.407 9.070 749 HH TYR 90 HH TYR 90 -0.748 14.859 6.942 750 H TYR 91 H TYR 91 3.274 10.444 12.220 751 HA TYR 91 HA TYR 91 4.541 12.558 10.632 752 HB2 TYR 91 HB2 TYR 91 6.708 11.703 11.900 753 HB3 TYR 91 HB3 TYR 91 5.671 12.933 12.613 754 HD1 TYR 91 HD1 TYR 91 6.094 9.215 12.559 755 HD2 TYR 91 HD2 TYR 91 4.954 12.650 14.794 756 HE1 TYR 91 HE1 TYR 91 5.785 7.812 14.549 757 HE2 TYR 91 HE2 TYR 91 4.644 11.252 16.794 758 HH TYR 91 HH TYR 91 4.203 8.897 17.346 759 H CYS 92 H CYS 92 5.832 11.855 8.982 760 HA CYS 92 HA CYS 92 6.059 8.932 8.636 761 HB2 CYS 92 HB2 CYS 92 6.166 9.544 6.132 762 HB3 CYS 92 HB3 CYS 92 4.597 9.605 6.928 763 HG CYS 92 HG CYS 92 5.332 11.773 5.004 764 HA PRO 93 HA PRO 93 10.227 10.724 8.824 765 HB2 PRO 93 HB2 PRO 93 11.170 9.152 10.824 766 HB3 PRO 93 HB3 PRO 93 10.180 10.589 11.081 767 HG2 PRO 93 HG2 PRO 93 9.481 7.784 11.477 768 HG3 PRO 93 HG3 PRO 93 8.630 9.237 12.024 769 HD2 PRO 93 HD2 PRO 93 8.093 7.549 9.707 770 HD3 PRO 93 HD3 PRO 93 7.089 8.831 10.415 771 H ASN 94 H ASN 94 10.676 7.383 9.841 772 HA ASN 94 HA ASN 94 12.208 6.883 7.386 773 HB2 ASN 94 HB2 ASN 94 13.746 7.579 9.195 774 HB3 ASN 94 HB3 ASN 94 13.134 6.275 10.205 775 HD21 ASN 94 HD21 ASN 94 15.152 5.306 10.388 776 HD22 ASN 94 HD22 ASN 94 15.892 4.472 9.062 777 H GLY 95 H GLY 95 11.363 5.183 6.424 778 HA2 GLY 95 HA2 GLY 95 11.001 2.808 6.379 779 HA3 GLY 95 HA3 GLY 95 10.550 2.882 8.080 780 H SER 96 H SER 96 9.097 5.484 7.107 781 HA SER 96 HA SER 96 6.517 4.321 6.988 782 HB2 SER 96 HB2 SER 96 5.808 6.703 6.505 783 HB3 SER 96 HB3 SER 96 6.754 6.486 7.978 784 HG SER 96 HG SER 96 8.224 6.992 5.693 785 H SER 97 H SER 97 5.604 3.394 5.303 786 HA SER 97 HA SER 97 6.634 3.729 2.649 787 HB2 SER 97 HB2 SER 97 4.166 2.231 3.554 788 HB3 SER 97 HB3 SER 97 5.058 1.999 2.049 789 HG SER 97 HG SER 97 6.812 1.739 3.985 790 HA PRO 98 HA PRO 98 4.339 7.102 1.165 791 HB2 PRO 98 HB2 PRO 98 3.543 6.168 -1.322 792 HB3 PRO 98 HB3 PRO 98 5.121 6.866 -0.945 793 HG2 PRO 98 HG2 PRO 98 4.311 3.997 -1.137 794 HG3 PRO 98 HG3 PRO 98 5.806 4.782 -1.678 795 HD2 PRO 98 HD2 PRO 98 5.738 3.335 0.569 796 HD3 PRO 98 HD3 PRO 98 6.709 4.819 0.459 797 H GLU 99 H GLU 99 2.608 4.047 0.430 798 HA GLU 99 HA GLU 99 0.113 5.431 0.233 799 HB2 GLU 99 HB2 GLU 99 -0.735 2.912 0.380 800 HB3 GLU 99 HB3 GLU 99 -0.066 3.603 -1.088 801 HG2 GLU 99 HG2 GLU 99 0.817 1.388 -0.685 802 HG3 GLU 99 HG3 GLU 99 2.094 2.597 -0.591 803 H LEU 100 H LEU 100 1.798 3.736 2.792 804 HA LEU 100 HA LEU 100 -0.326 3.599 4.636 805 HB2 LEU 100 HB2 LEU 100 2.617 4.017 5.145 806 HB3 LEU 100 HB3 LEU 100 1.444 3.657 6.389 807 HG LEU 100 HG LEU 100 2.167 1.827 4.096 808 HD11 LEU 100 HD11 LEU 100 2.857 1.697 7.032 809 HD12 LEU 100 HD12 LEU 100 3.977 2.058 5.717 810 HD13 LEU 100 HD13 LEU 100 3.230 0.463 5.827 811 HD21 LEU 100 HD21 LEU 100 -0.145 1.543 4.818 812 HD22 LEU 100 HD22 LEU 100 0.385 1.397 6.494 813 HD23 LEU 100 HD23 LEU 100 0.842 0.168 5.314 814 H GLN 101 H GLN 101 1.872 6.200 3.759 815 HA GLN 101 HA GLN 101 1.238 8.022 5.781 816 HB2 GLN 101 HB2 GLN 101 1.936 8.567 2.891 817 HB3 GLN 101 HB3 GLN 101 1.944 9.770 4.174 818 HG2 GLN 101 HG2 GLN 101 3.735 8.689 5.289 819 HG3 GLN 101 HG3 GLN 101 3.615 7.285 4.235 820 HE21 GLN 101 HE21 GLN 101 5.760 7.451 3.588 821 HE22 GLN 101 HE22 GLN 101 6.312 8.696 2.524 822 H MET 102 H MET 102 -0.252 7.556 2.592 823 HA MET 102 HA MET 102 -2.266 9.533 3.051 824 HB2 MET 102 HB2 MET 102 -2.101 7.347 0.968 825 HB3 MET 102 HB3 MET 102 -3.279 8.653 0.966 826 HG2 MET 102 HG2 MET 102 -0.293 8.944 0.722 827 HG3 MET 102 HG3 MET 102 -1.473 9.119 -0.575 828 HE1 MET 102 HE1 MET 102 -3.394 12.357 0.479 829 HE2 MET 102 HE2 MET 102 -3.838 10.706 0.913 830 HE3 MET 102 HE3 MET 102 -3.249 11.064 -0.710 831 H LEU 103 H LEU 103 -2.004 6.087 3.521 832 HA LEU 103 HA LEU 103 -4.647 5.376 4.026 833 HB2 LEU 103 HB2 LEU 103 -3.001 3.678 3.947 834 HB3 LEU 103 HB3 LEU 103 -2.021 4.455 5.172 835 HG LEU 103 HG LEU 103 -3.747 3.899 6.864 836 HD11 LEU 103 HD11 LEU 103 -5.680 3.773 5.387 837 HD12 LEU 103 HD12 LEU 103 -5.478 2.275 6.299 838 HD13 LEU 103 HD13 LEU 103 -4.996 2.348 4.604 839 HD21 LEU 103 HD21 LEU 103 -3.253 1.503 6.949 840 HD22 LEU 103 HD22 LEU 103 -1.821 2.462 6.573 841 HD23 LEU 103 HD23 LEU 103 -2.651 1.576 5.293 842 H TYR 104 H TYR 104 -2.197 6.549 6.314 843 HA TYR 104 HA TYR 104 -4.094 6.706 8.457 844 HB2 TYR 104 HB2 TYR 104 -1.208 7.531 8.200 845 HB3 TYR 104 HB3 TYR 104 -2.148 7.796 9.667 846 HD1 TYR 104 HD1 TYR 104 -2.802 5.950 11.075 847 HD2 TYR 104 HD2 TYR 104 -0.573 5.270 7.523 848 HE1 TYR 104 HE1 TYR 104 -2.298 3.672 11.834 849 HE2 TYR 104 HE2 TYR 104 -0.065 2.986 8.270 850 HH TYR 104 HH TYR 104 -1.704 1.477 10.760 851 H ALA 105 H ALA 105 -2.379 9.079 6.427 852 HA ALA 105 HA ALA 105 -3.443 11.385 7.637 853 HB1 ALA 105 HB1 ALA 105 -2.844 12.552 5.600 854 HB2 ALA 105 HB2 ALA 105 -2.682 11.018 4.744 855 HB3 ALA 105 HB3 ALA 105 -1.570 11.420 6.053 856 H GLY 106 H GLY 106 -4.830 9.096 5.463 857 HA2 GLY 106 HA2 GLY 106 -6.960 10.840 4.570 858 HA3 GLY 106 HA3 GLY 106 -6.796 9.126 4.219 859 H SER 107 H SER 107 -6.506 8.552 7.153 860 HA SER 107 HA SER 107 -9.388 8.572 7.684 861 HB2 SER 107 HB2 SER 107 -7.339 6.678 8.803 862 HB3 SER 107 HB3 SER 107 -9.093 6.529 8.901 863 HG SER 107 HG SER 107 -7.415 6.252 6.641 864 H ARG 108 H ARG 108 -6.855 10.349 8.559 865 HA ARG 108 HA ARG 108 -7.224 10.288 11.406 866 HB2 ARG 108 HB2 ARG 108 -5.675 12.212 11.478 867 HB3 ARG 108 HB3 ARG 108 -5.022 10.818 10.642 868 HG2 ARG 108 HG2 ARG 108 -4.353 12.403 9.196 869 HG3 ARG 108 HG3 ARG 108 -5.968 12.152 8.537 870 HD2 ARG 108 HD2 ARG 108 -6.755 14.150 9.342 871 HD3 ARG 108 HD3 ARG 108 -5.628 14.170 10.700 872 HE ARG 108 HE ARG 108 -3.876 14.731 9.031 873 HH11 ARG 108 HH11 ARG 108 -7.225 15.449 8.329 874 HH12 ARG 108 HH12 ARG 108 -6.848 16.688 7.174 875 HH21 ARG 108 HH21 ARG 108 -3.366 16.395 7.561 876 HH22 ARG 108 HH22 ARG 108 -4.658 17.221 6.727 877 H ASN 109 H ASN 109 -8.771 11.862 8.806 878 HA ASN 109 HA ASN 109 -9.682 14.127 10.295 879 HB2 ASN 109 HB2 ASN 109 -11.320 14.413 8.403 880 HB3 ASN 109 HB3 ASN 109 -9.628 14.394 7.928 881 HD21 ASN 109 HD21 ASN 109 -10.261 13.886 5.813 882 HD22 ASN 109 HD22 ASN 109 -10.731 12.277 5.383 883 H PHE 110 H PHE 110 -10.693 10.847 10.011 884 HA PHE 110 HA PHE 110 -13.388 11.201 10.839 885 HB2 PHE 110 HB2 PHE 110 -11.565 8.793 10.929 886 HB3 PHE 110 HB3 PHE 110 -13.265 8.745 11.385 887 HD1 PHE 110 HD1 PHE 110 -14.994 9.327 9.652 888 HD2 PHE 110 HD2 PHE 110 -10.909 8.631 8.690 889 HE1 PHE 110 HE1 PHE 110 -15.620 8.930 7.305 890 HE2 PHE 110 HE2 PHE 110 -11.524 8.239 6.342 891 HZ PHE 110 HZ PHE 110 -13.882 8.388 5.647 892 H ILE 111 H ILE 111 -10.397 10.387 12.569 893 HA ILE 111 HA ILE 111 -11.673 9.965 15.061 894 HB ILE 111 HB ILE 111 -9.490 8.989 14.514 895 HG12 ILE 111 HG12 ILE 111 -10.318 9.642 16.931 896 HG13 ILE 111 HG13 ILE 111 -8.724 8.966 16.670 897 HG21 ILE 111 HG21 ILE 111 -8.428 11.796 14.743 898 HG22 ILE 111 HG22 ILE 111 -8.487 10.804 13.286 899 HG23 ILE 111 HG23 ILE 111 -7.444 10.336 14.628 900 HD11 ILE 111 HD11 ILE 111 -9.371 11.874 17.045 901 HD12 ILE 111 HD12 ILE 111 -7.762 11.210 16.763 902 HD13 ILE 111 HD13 ILE 111 -8.639 10.799 18.236 903 H VAL 112 H VAL 112 -10.358 12.807 13.490 904 HA VAL 112 HA VAL 112 -10.261 14.550 15.678 905 HB VAL 112 HB VAL 112 -10.999 15.242 12.821 906 HG11 VAL 112 HG11 VAL 112 -10.211 17.491 13.379 907 HG12 VAL 112 HG12 VAL 112 -9.954 16.988 15.050 908 HG13 VAL 112 HG13 VAL 112 -11.586 17.023 14.380 909 HG21 VAL 112 HG21 VAL 112 -8.623 15.822 12.579 910 HG22 VAL 112 HG22 VAL 112 -8.856 14.110 12.936 911 HG23 VAL 112 HG23 VAL 112 -8.320 15.210 14.205 912 H ASN 113 H ASN 113 -12.916 13.288 13.860 913 HA ASN 113 HA ASN 113 -14.804 15.280 14.800 914 HB2 ASN 113 HB2 ASN 113 -14.979 14.276 12.523 915 HB3 ASN 113 HB3 ASN 113 -15.319 12.719 13.267 916 HD21 ASN 113 HD21 ASN 113 -17.322 12.361 14.211 917 HD22 ASN 113 HD22 ASN 113 -18.666 13.422 13.969 918 H GLU 114 H GLU 114 -13.717 12.102 15.641 919 HA GLU 114 HA GLU 114 -16.002 11.351 17.177 920 HB2 GLU 114 HB2 GLU 114 -13.567 10.127 16.337 921 HB3 GLU 114 HB3 GLU 114 -13.711 9.937 18.076 922 HG2 GLU 114 HG2 GLU 114 -15.798 9.147 16.056 923 HG3 GLU 114 HG3 GLU 114 -14.682 8.053 16.874 924 H CYS 115 H CYS 115 -12.765 12.556 18.063 925 HA CYS 115 HA CYS 115 -13.653 12.710 20.849 926 HB2 CYS 115 HB2 CYS 115 -11.436 11.685 20.275 927 HB3 CYS 115 HB3 CYS 115 -10.905 13.263 19.718 928 HG CYS 115 HG CYS 115 -11.342 14.425 22.314 929 H HIS 116 H HIS 116 -13.829 14.633 18.216 930 HA HIS 116 HA HIS 116 -13.836 16.852 17.746 931 HB2 HIS 116 HB2 HIS 116 -15.555 16.907 19.521 932 HB3 HIS 116 HB3 HIS 116 -14.299 17.142 20.731 933 HD1 HIS 116 HD1 HIS 116 -14.166 19.494 21.453 934 HD2 HIS 116 HD2 HIS 116 -15.271 19.181 17.453 935 HE1 HIS 116 HE1 HIS 116 -14.447 21.854 20.638 936 HE2 HIS 116 HE2 HIS 116 -15.171 21.649 18.236 937 H VAL 117 H VAL 117 -11.478 16.033 17.529 938 HA VAL 117 HA VAL 117 -9.510 16.922 19.352 939 HB VAL 117 HB VAL 117 -9.171 16.438 16.383 940 HG11 VAL 117 HG11 VAL 117 -7.296 17.616 17.371 941 HG12 VAL 117 HG12 VAL 117 -6.843 15.959 16.969 942 HG13 VAL 117 HG13 VAL 117 -7.183 16.401 18.644 943 HG21 VAL 117 HG21 VAL 117 -8.902 14.523 18.686 944 HG22 VAL 117 HG22 VAL 117 -8.462 14.188 17.010 945 HG23 VAL 117 HG23 VAL 117 -10.148 14.492 17.437 946 H SER 118 H SER 118 -8.387 18.815 19.487 947 HA SER 118 HA SER 118 -9.661 21.139 18.442 948 HB2 SER 118 HB2 SER 118 -6.974 20.986 19.821 949 HB3 SER 118 HB3 SER 118 -8.054 22.378 19.726 950 HG SER 118 HG SER 118 -9.463 20.411 20.751 951 H LYS 119 H LYS 119 -6.758 19.333 17.647 952 HA LYS 119 HA LYS 119 -6.541 20.497 15.065 953 HB2 LYS 119 HB2 LYS 119 -4.186 21.434 15.543 954 HB3 LYS 119 HB3 LYS 119 -5.576 22.404 16.008 955 HG2 LYS 119 HG2 LYS 119 -5.340 21.664 18.317 956 HG3 LYS 119 HG3 LYS 119 -3.970 20.650 17.860 957 HD2 LYS 119 HD2 LYS 119 -4.051 23.633 17.453 958 HD3 LYS 119 HD3 LYS 119 -3.358 22.858 18.880 959 HE2 LYS 119 HE2 LYS 119 -1.589 21.980 17.716 960 HE3 LYS 119 HE3 LYS 119 -2.466 21.960 16.189 961 HZ1 LYS 119 HZ1 LYS 119 -2.311 24.415 16.179 962 HZ2 LYS 119 HZ2 LYS 119 -0.797 23.654 16.108 963 HZ3 LYS 119 HZ3 LYS 119 -1.335 24.337 17.565 964 H ASN 120 H ASN 120 -4.386 19.781 14.022 965 HA ASN 120 HA ASN 120 -3.249 17.425 15.334 966 HB2 ASN 120 HB2 ASN 120 -3.401 16.051 13.378 967 HB3 ASN 120 HB3 ASN 120 -5.006 16.668 13.717 968 HD21 ASN 120 HD21 ASN 120 -2.354 16.632 11.522 969 HD22 ASN 120 HD22 ASN 120 -3.113 17.516 10.246 970 H THR 121 H THR 121 -1.276 16.656 14.052 971 HA THR 121 HA THR 121 0.084 18.821 12.649 972 HB THR 121 HB THR 121 1.346 17.429 15.016 973 HG1 THR 121 HG1 THR 121 -0.245 19.682 14.825 974 HG21 THR 121 HG21 THR 121 3.080 19.143 14.785 975 HG22 THR 121 HG22 THR 121 2.249 19.797 13.374 976 HG23 THR 121 HG23 THR 121 2.942 18.177 13.315 977 H GLU 122 H GLU 122 1.808 18.093 11.322 978 HA GLU 122 HA GLU 122 2.349 15.243 11.190 979 HB2 GLU 122 HB2 GLU 122 1.880 15.398 8.637 980 HB3 GLU 122 HB3 GLU 122 0.536 15.152 9.746 981 HG2 GLU 122 HG2 GLU 122 0.218 17.632 9.717 982 HG3 GLU 122 HG3 GLU 122 1.358 17.691 8.379 983 H ILE 123 H ILE 123 4.419 14.932 10.808 984 HA ILE 123 HA ILE 123 5.937 16.888 9.230 985 HB ILE 123 HB ILE 123 7.050 15.896 11.863 986 HG12 ILE 123 HG12 ILE 123 5.722 18.577 11.397 987 HG13 ILE 123 HG13 ILE 123 4.940 17.232 12.220 988 HG21 ILE 123 HG21 ILE 123 8.670 16.691 10.245 989 HG22 ILE 123 HG22 ILE 123 8.555 17.824 11.593 990 HG23 ILE 123 HG23 ILE 123 7.776 18.200 10.055 991 HD11 ILE 123 HD11 ILE 123 6.706 17.283 13.921 992 HD12 ILE 123 HD12 ILE 123 5.806 18.797 13.823 993 HD13 ILE 123 HD13 ILE 123 7.417 18.679 13.114 994 H ARG 124 H ARG 124 8.133 15.983 8.643 995 HA ARG 124 HA ARG 124 7.882 13.069 8.343 996 HB2 ARG 124 HB2 ARG 124 7.640 14.198 6.232 997 HB3 ARG 124 HB3 ARG 124 9.107 15.123 6.502 998 HG2 ARG 124 HG2 ARG 124 10.455 13.154 6.266 999 HG3 ARG 124 HG3 ARG 124 9.019 12.131 6.181 1000 HD2 ARG 124 HD2 ARG 124 8.374 13.101 4.100 1001 HD3 ARG 124 HD3 ARG 124 9.637 14.324 4.217 1002 HE ARG 124 HE ARG 124 11.156 12.202 4.184 1003 HH11 ARG 124 HH11 ARG 124 8.217 12.705 2.375 1004 HH12 ARG 124 HH12 ARG 124 8.733 11.768 1.011 1005 HH21 ARG 124 HH21 ARG 124 11.875 10.990 2.398 1006 HH22 ARG 124 HH22 ARG 124 10.831 10.787 1.017 1007 H ASP 125 H ASP 125 8.951 13.434 10.600 1008 HA ASP 125 HA ASP 125 11.123 11.808 10.460 1009 HB2 ASP 125 HB2 ASP 125 12.179 14.126 9.657 1010 HB3 ASP 125 HB3 ASP 125 12.325 14.361 11.399 1011 H ILE 126 H ILE 126 12.158 11.430 12.560 1012 HA ILE 126 HA ILE 126 10.428 12.244 14.792 1013 HB ILE 126 HB ILE 126 12.459 10.012 14.556 1014 HG12 ILE 126 HG12 ILE 126 10.317 9.590 13.442 1015 HG13 ILE 126 HG13 ILE 126 10.512 8.548 14.848 1016 HG21 ILE 126 HG21 ILE 126 11.782 9.333 16.818 1017 HG22 ILE 126 HG22 ILE 126 10.810 10.798 16.955 1018 HG23 ILE 126 HG23 ILE 126 12.563 10.914 16.805 1019 HD11 ILE 126 HD11 ILE 126 8.832 11.039 14.691 1020 HD12 ILE 126 HD12 ILE 126 9.061 10.054 16.137 1021 HD13 ILE 126 HD13 ILE 126 8.254 9.373 14.724 1022 H ASP 127 H ASP 127 13.625 12.456 13.485 1023 HA ASP 127 HA ASP 127 15.037 13.101 15.856 1024 HB2 ASP 127 HB2 ASP 127 16.111 12.209 13.827 1025 HB3 ASP 127 HB3 ASP 127 15.712 13.686 12.961 1026 H GLU 128 H GLU 128 13.407 15.059 13.418 1027 HA GLU 128 HA GLU 128 14.513 17.489 14.610 1028 HB2 GLU 128 HB2 GLU 128 13.595 18.604 12.571 1029 HB3 GLU 128 HB3 GLU 128 14.788 17.358 12.235 1030 HG2 GLU 128 HG2 GLU 128 12.947 15.789 11.737 1031 HG3 GLU 128 HG3 GLU 128 11.803 17.111 11.962 1032 H ILE 129 H ILE 129 12.227 15.798 15.712 1033 HA ILE 129 HA ILE 129 10.373 18.063 16.026 1034 HB ILE 129 HB ILE 129 8.458 16.611 16.129 1035 HG12 ILE 129 HG12 ILE 129 10.304 14.282 15.545 1036 HG13 ILE 129 HG13 ILE 129 9.638 14.639 17.134 1037 HG21 ILE 129 HG21 ILE 129 8.399 15.762 13.826 1038 HG22 ILE 129 HG22 ILE 129 10.147 15.964 13.716 1039 HG23 ILE 129 HG23 ILE 129 9.108 17.374 13.918 1040 HD11 ILE 129 HD11 ILE 129 7.389 14.293 16.278 1041 HD12 ILE 129 HD12 ILE 129 8.403 12.876 16.007 1042 HD13 ILE 129 HD13 ILE 129 8.045 13.972 14.673 1043 H ASP 130 H ASP 130 9.815 18.553 18.089 1044 HA ASP 130 HA ASP 130 9.782 16.812 20.277 1045 HB2 ASP 130 HB2 ASP 130 12.318 16.958 19.724 1046 HB3 ASP 130 HB3 ASP 130 12.219 18.579 20.406 1047 H ASP 131 H ASP 131 10.695 18.675 22.277 1048 HA ASP 131 HA ASP 131 8.407 20.271 22.613 1049 HB2 ASP 131 HB2 ASP 131 9.813 19.518 24.473 1050 HB3 ASP 131 HB3 ASP 131 11.141 20.514 23.891 1051 H GLU 132 H GLU 132 11.243 20.767 20.827 1052 HA GLU 132 HA GLU 132 11.569 23.508 20.735 1053 HB2 GLU 132 HB2 GLU 132 12.475 23.124 18.423 1054 HB3 GLU 132 HB3 GLU 132 13.179 22.105 19.669 1055 HG2 GLU 132 HG2 GLU 132 11.825 20.234 18.951 1056 HG3 GLU 132 HG3 GLU 132 11.011 21.251 17.763 1057 H LEU 133 H LEU 133 9.425 21.495 18.706 1058 HA LEU 133 HA LEU 133 8.238 23.844 17.520 1059 HB2 LEU 133 HB2 LEU 133 6.613 22.155 16.543 1060 HB3 LEU 133 HB3 LEU 133 8.281 22.032 16.042 1061 HG LEU 133 HG LEU 133 8.337 20.269 18.056 1062 HD11 LEU 133 HD11 LEU 133 6.277 18.936 18.039 1063 HD12 LEU 133 HD12 LEU 133 5.498 20.172 17.050 1064 HD13 LEU 133 HD13 LEU 133 6.019 20.554 18.690 1065 HD21 LEU 133 HD21 LEU 133 8.019 18.522 16.380 1066 HD22 LEU 133 HD22 LEU 133 9.012 19.843 15.765 1067 HD23 LEU 133 HD23 LEU 133 7.322 19.709 15.277 1068 H LEU 134 H LEU 134 7.584 21.630 20.103 1069 HA LEU 134 HA LEU 134 4.900 22.111 20.575 1070 HB2 LEU 134 HB2 LEU 134 6.008 20.356 21.713 1071 HB3 LEU 134 HB3 LEU 134 7.194 21.445 22.402 1072 HG LEU 134 HG LEU 134 5.513 22.403 23.860 1073 HD11 LEU 134 HD11 LEU 134 3.619 20.399 22.627 1074 HD12 LEU 134 HD12 LEU 134 3.547 22.151 22.426 1075 HD13 LEU 134 HD13 LEU 134 3.265 21.431 24.012 1076 HD21 LEU 134 HD21 LEU 134 5.583 19.394 23.938 1077 HD22 LEU 134 HD22 LEU 134 5.095 20.436 25.273 1078 HD23 LEU 134 HD23 LEU 134 6.751 20.494 24.671 1079 H GLU 135 H GLU 135 7.673 24.131 21.249 1080 HA GLU 135 HA GLU 135 6.514 25.851 23.144 1081 HB2 GLU 135 HB2 GLU 135 8.715 26.331 21.139 1082 HB3 GLU 135 HB3 GLU 135 8.266 27.486 22.388 1083 HG2 GLU 135 HG2 GLU 135 8.732 25.676 24.070 1084 HG3 GLU 135 HG3 GLU 135 9.419 24.735 22.746 1085 H SER 136 H SER 136 5.944 25.615 19.747 1086 HA SER 136 HA SER 136 4.310 28.053 19.948 1087 HB2 SER 136 HB2 SER 136 4.777 28.391 17.484 1088 HB3 SER 136 HB3 SER 136 6.142 28.677 18.562 1089 HG SER 136 HG SER 136 7.169 27.047 17.706 1090 H LYS 137 H LYS 137 4.338 24.771 19.478 1091 HA LYS 137 HA LYS 137 2.329 24.619 17.435 1092 HB2 LYS 137 HB2 LYS 137 4.065 22.754 18.815 1093 HB3 LYS 137 HB3 LYS 137 2.430 22.125 18.654 1094 HG2 LYS 137 HG2 LYS 137 3.909 21.487 16.781 1095 HG3 LYS 137 HG3 LYS 137 2.496 22.408 16.263 1096 HD2 LYS 137 HD2 LYS 137 3.890 24.446 16.197 1097 HD3 LYS 137 HD3 LYS 137 5.296 23.476 16.639 1098 HE2 LYS 137 HE2 LYS 137 5.066 22.179 14.596 1099 HE3 LYS 137 HE3 LYS 137 3.614 23.080 14.164 1100 HZ1 LYS 137 HZ1 LYS 137 5.416 23.997 12.952 1101 HZ2 LYS 137 HZ2 LYS 137 6.391 24.117 14.333 1102 HZ3 LYS 137 HZ3 LYS 137 5.035 25.118 14.169 1103 H PHE 138 H PHE 138 2.347 24.845 20.878 1104 HA PHE 138 HA PHE 138 -0.314 23.750 21.164 1105 HB2 PHE 138 HB2 PHE 138 -0.065 24.018 23.506 1106 HB3 PHE 138 HB3 PHE 138 1.497 23.481 22.913 1107 HD1 PHE 138 HD1 PHE 138 3.173 25.484 22.347 1108 HD2 PHE 138 HD2 PHE 138 -0.122 25.711 25.026 1109 HE1 PHE 138 HE1 PHE 138 4.241 27.377 23.496 1110 HE2 PHE 138 HE2 PHE 138 0.941 27.603 26.180 1111 HZ PHE 138 HZ PHE 138 3.126 28.439 25.415 Start of MODEL 9 1 H MET 1 H MET 1 3.538 1.499 -1.783 2 HA MET 1 HA MET 1 5.012 -0.388 -3.530 3 HB2 MET 1 HB2 MET 1 5.444 -1.685 -1.528 4 HB3 MET 1 HB3 MET 1 6.087 -0.064 -1.320 5 HG2 MET 1 HG2 MET 1 4.119 0.530 0.019 6 HG3 MET 1 HG3 MET 1 3.512 -1.115 -0.168 7 HE1 MET 1 HE1 MET 1 3.292 -1.442 2.442 8 HE2 MET 1 HE2 MET 1 3.836 0.218 2.683 9 HE3 MET 1 HE3 MET 1 4.587 -1.098 3.587 10 H THR 2 H THR 2 4.064 -2.698 -2.846 11 HA THR 2 HA THR 2 1.310 -2.639 -3.615 12 HB THR 2 HB THR 2 2.929 -5.005 -2.648 13 HG1 THR 2 HG1 THR 2 2.644 -5.074 -5.268 14 HG21 THR 2 HG21 THR 2 1.296 -6.326 -3.929 15 HG22 THR 2 HG22 THR 2 0.406 -4.850 -4.308 16 HG23 THR 2 HG23 THR 2 0.519 -5.409 -2.639 17 H SER 3 H SER 3 -0.007 -1.782 -2.114 18 HA SER 3 HA SER 3 -0.543 -3.378 0.232 19 HB2 SER 3 HB2 SER 3 0.233 -0.458 0.507 20 HB3 SER 3 HB3 SER 3 -0.434 -1.459 1.797 21 HG SER 3 HG SER 3 1.710 -2.629 0.597 22 H SER 4 H SER 4 -2.631 -2.999 1.074 23 HA SER 4 HA SER 4 -4.443 -1.813 -0.840 24 HB2 SER 4 HB2 SER 4 -4.942 -3.972 0.330 25 HB3 SER 4 HB3 SER 4 -5.058 -3.078 1.845 26 HG SER 4 HG SER 4 -6.913 -3.424 -0.061 27 H LEU 5 H LEU 5 -6.010 -0.177 -0.236 28 HA LEU 5 HA LEU 5 -5.312 1.415 2.107 29 HB2 LEU 5 HB2 LEU 5 -4.253 2.147 -0.238 30 HB3 LEU 5 HB3 LEU 5 -5.823 2.907 -0.414 31 HG LEU 5 HG LEU 5 -3.992 3.399 1.940 32 HD11 LEU 5 HD11 LEU 5 -2.922 4.118 -0.143 33 HD12 LEU 5 HD12 LEU 5 -3.397 5.495 0.850 34 HD13 LEU 5 HD13 LEU 5 -4.359 5.053 -0.560 35 HD21 LEU 5 HD21 LEU 5 -5.396 5.350 2.312 36 HD22 LEU 5 HD22 LEU 5 -6.373 3.881 2.327 37 HD23 LEU 5 HD23 LEU 5 -6.383 4.934 0.912 38 H THR 6 H THR 6 -7.026 2.261 3.086 39 HA THR 6 HA THR 6 -9.477 2.953 1.926 40 HB THR 6 HB THR 6 -9.710 0.488 1.627 41 HG1 THR 6 HG1 THR 6 -11.781 0.402 2.464 42 HG21 THR 6 HG21 THR 6 -10.000 -0.946 3.610 43 HG22 THR 6 HG22 THR 6 -9.540 0.408 4.643 44 HG23 THR 6 HG23 THR 6 -8.371 -0.275 3.513 45 H ILE 7 H ILE 7 -11.144 3.278 3.782 46 HA ILE 7 HA ILE 7 -9.686 4.322 6.065 47 HB ILE 7 HB ILE 7 -11.762 5.327 6.790 48 HG12 ILE 7 HG12 ILE 7 -13.107 4.022 4.415 49 HG13 ILE 7 HG13 ILE 7 -13.243 3.425 6.066 50 HG21 ILE 7 HG21 ILE 7 -12.205 6.786 4.857 51 HG22 ILE 7 HG22 ILE 7 -11.301 5.669 3.832 52 HG23 ILE 7 HG23 ILE 7 -10.483 6.531 5.135 53 HD11 ILE 7 HD11 ILE 7 -15.174 4.761 5.415 54 HD12 ILE 7 HD12 ILE 7 -14.116 6.142 5.117 55 HD13 ILE 7 HD13 ILE 7 -14.290 5.502 6.750 56 H CYS 8 H CYS 8 -10.730 3.929 8.263 57 HA CYS 8 HA CYS 8 -11.053 1.021 8.497 58 HB2 CYS 8 HB2 CYS 8 -10.185 1.428 10.852 59 HB3 CYS 8 HB3 CYS 8 -9.037 1.693 9.545 60 HG CYS 8 HG CYS 8 -9.269 4.479 9.597 61 H SER 9 H SER 9 -12.446 0.191 10.132 62 HA SER 9 HA SER 9 -14.689 1.956 10.742 63 HB2 SER 9 HB2 SER 9 -15.724 -0.236 11.563 64 HB3 SER 9 HB3 SER 9 -15.427 -0.109 9.830 65 HG SER 9 HG SER 9 -13.523 -1.260 11.571 66 H ILE 10 H ILE 10 -15.372 2.312 12.880 67 HA ILE 10 HA ILE 10 -13.074 2.233 14.690 68 HB ILE 10 HB ILE 10 -13.807 4.451 14.190 69 HG12 ILE 10 HG12 ILE 10 -14.486 5.277 16.470 70 HG13 ILE 10 HG13 ILE 10 -14.641 3.592 16.962 71 HG21 ILE 10 HG21 ILE 10 -16.067 3.985 13.454 72 HG22 ILE 10 HG22 ILE 10 -16.057 5.273 14.658 73 HG23 ILE 10 HG23 ILE 10 -16.557 3.646 15.115 74 HD11 ILE 10 HD11 ILE 10 -12.114 4.879 15.952 75 HD12 ILE 10 HD12 ILE 10 -12.290 3.221 16.530 76 HD13 ILE 10 HD13 ILE 10 -12.508 4.572 17.642 77 HA PRO 11 HA PRO 11 -15.499 -0.609 17.227 78 HB2 PRO 11 HB2 PRO 11 -13.428 -1.230 18.877 79 HB3 PRO 11 HB3 PRO 11 -13.675 -2.012 17.313 80 HG2 PRO 11 HG2 PRO 11 -11.792 0.176 18.068 81 HG3 PRO 11 HG3 PRO 11 -11.537 -1.198 16.979 82 HD2 PRO 11 HD2 PRO 11 -12.075 1.338 16.118 83 HD3 PRO 11 HD3 PRO 11 -12.497 -0.120 15.199 84 H ASP 12 H ASP 12 -16.636 -0.053 18.991 85 HA ASP 12 HA ASP 12 -16.505 2.551 20.016 86 HB2 ASP 12 HB2 ASP 12 -18.410 0.697 20.046 87 HB3 ASP 12 HB3 ASP 12 -17.764 0.397 21.655 88 H GLY 13 H GLY 13 -15.086 -0.443 21.130 89 HA2 GLY 13 HA2 GLY 13 -14.417 0.181 23.741 90 HA3 GLY 13 HA3 GLY 13 -13.469 -0.867 22.698 91 H VAL 14 H VAL 14 -12.259 0.656 20.907 92 HA VAL 14 HA VAL 14 -10.369 2.128 22.442 93 HB VAL 14 HB VAL 14 -9.214 2.588 20.392 94 HG11 VAL 14 HG11 VAL 14 -10.449 -0.159 20.270 95 HG12 VAL 14 HG12 VAL 14 -9.037 0.307 21.219 96 HG13 VAL 14 HG13 VAL 14 -8.965 0.339 19.456 97 HG21 VAL 14 HG21 VAL 14 -11.092 3.310 19.027 98 HG22 VAL 14 HG22 VAL 14 -11.693 1.654 18.954 99 HG23 VAL 14 HG23 VAL 14 -10.158 2.069 18.190 100 H LYS 15 H LYS 15 -13.236 2.978 20.685 101 HA LYS 15 HA LYS 15 -12.666 5.744 20.381 102 HB2 LYS 15 HB2 LYS 15 -14.321 4.708 18.967 103 HB3 LYS 15 HB3 LYS 15 -15.277 4.224 20.362 104 HG2 LYS 15 HG2 LYS 15 -14.784 7.095 20.232 105 HG3 LYS 15 HG3 LYS 15 -15.687 6.463 18.853 106 HD2 LYS 15 HD2 LYS 15 -16.442 5.701 21.649 107 HD3 LYS 15 HD3 LYS 15 -16.974 7.235 20.966 108 HE2 LYS 15 HE2 LYS 15 -18.016 6.049 19.100 109 HE3 LYS 15 HE3 LYS 15 -17.456 4.512 19.757 110 HZ1 LYS 15 HZ1 LYS 15 -18.853 4.810 21.665 111 HZ2 LYS 15 HZ2 LYS 15 -19.798 4.998 20.269 112 HZ3 LYS 15 HZ3 LYS 15 -19.315 6.360 21.150 113 H GLU 16 H GLU 16 -14.505 3.885 22.795 114 HA GLU 16 HA GLU 16 -15.206 6.040 24.460 115 HB2 GLU 16 HB2 GLU 16 -16.160 3.800 24.737 116 HB3 GLU 16 HB3 GLU 16 -14.584 3.172 25.198 117 HG2 GLU 16 HG2 GLU 16 -14.655 4.848 27.111 118 HG3 GLU 16 HG3 GLU 16 -16.361 5.045 26.721 119 H ASP 17 H ASP 17 -12.344 3.997 24.323 120 HA ASP 17 HA ASP 17 -11.055 4.953 26.629 121 HB2 ASP 17 HB2 ASP 17 -10.433 2.895 25.324 122 HB3 ASP 17 HB3 ASP 17 -9.717 3.948 24.109 123 H LEU 18 H LEU 18 -10.965 6.027 23.277 124 HA LEU 18 HA LEU 18 -9.054 8.103 23.709 125 HB2 LEU 18 HB2 LEU 18 -9.445 7.056 21.514 126 HB3 LEU 18 HB3 LEU 18 -11.065 7.724 21.490 127 HG LEU 18 HG LEU 18 -10.089 10.008 21.475 128 HD11 LEU 18 HD11 LEU 18 -7.481 8.529 21.167 129 HD12 LEU 18 HD12 LEU 18 -7.962 9.529 22.538 130 HD13 LEU 18 HD13 LEU 18 -7.708 10.266 20.955 131 HD21 LEU 18 HD21 LEU 18 -9.298 9.914 19.148 132 HD22 LEU 18 HD22 LEU 18 -10.766 8.970 19.398 133 HD23 LEU 18 HD23 LEU 18 -9.207 8.157 19.266 134 H LYS 19 H LYS 19 -12.492 7.807 23.993 135 HA LYS 19 HA LYS 19 -13.101 10.593 24.018 136 HB2 LYS 19 HB2 LYS 19 -14.618 8.413 23.749 137 HB3 LYS 19 HB3 LYS 19 -14.808 8.637 25.479 138 HG2 LYS 19 HG2 LYS 19 -16.557 9.891 24.828 139 HG3 LYS 19 HG3 LYS 19 -15.318 11.135 24.659 140 HD2 LYS 19 HD2 LYS 19 -16.400 9.368 22.461 141 HD3 LYS 19 HD3 LYS 19 -16.738 11.083 22.686 142 HE2 LYS 19 HE2 LYS 19 -14.375 11.594 22.321 143 HE3 LYS 19 HE3 LYS 19 -14.035 9.878 22.107 144 HZ1 LYS 19 HZ1 LYS 19 -15.521 9.884 20.174 145 HZ2 LYS 19 HZ2 LYS 19 -14.236 10.965 19.985 146 HZ3 LYS 19 HZ3 LYS 19 -15.775 11.546 20.369 147 H LYS 20 H LYS 20 -12.537 8.138 26.510 148 HA LYS 20 HA LYS 20 -13.030 9.869 28.700 149 HB2 LYS 20 HB2 LYS 20 -11.489 7.276 28.570 150 HB3 LYS 20 HB3 LYS 20 -11.929 8.101 30.059 151 HG2 LYS 20 HG2 LYS 20 -13.772 6.848 28.039 152 HG3 LYS 20 HG3 LYS 20 -13.503 6.360 29.715 153 HD2 LYS 20 HD2 LYS 20 -14.432 8.536 30.448 154 HD3 LYS 20 HD3 LYS 20 -14.797 8.914 28.765 155 HE2 LYS 20 HE2 LYS 20 -16.791 8.095 29.792 156 HE3 LYS 20 HE3 LYS 20 -16.203 6.861 28.679 157 HZ1 LYS 20 HZ1 LYS 20 -15.735 6.862 31.614 158 HZ2 LYS 20 HZ2 LYS 20 -15.291 5.635 30.523 159 HZ3 LYS 20 HZ3 LYS 20 -16.930 5.954 30.824 160 H PHE 21 H PHE 21 -10.147 9.103 26.850 161 HA PHE 21 HA PHE 21 -8.175 10.087 28.472 162 HB2 PHE 21 HB2 PHE 21 -7.685 8.940 26.401 163 HB3 PHE 21 HB3 PHE 21 -8.445 10.223 25.465 164 HD1 PHE 21 HD1 PHE 21 -6.181 10.619 28.344 165 HD2 PHE 21 HD2 PHE 21 -6.641 10.947 24.137 166 HE1 PHE 21 HE1 PHE 21 -4.064 11.772 28.210 167 HE2 PHE 21 HE2 PHE 21 -4.487 12.121 23.994 168 HZ PHE 21 HZ PHE 21 -3.187 12.540 26.039 169 H ARG 22 H ARG 22 -10.357 11.894 26.350 170 HA ARG 22 HA ARG 22 -8.952 14.355 26.914 171 HB2 ARG 22 HB2 ARG 22 -10.622 15.423 25.429 172 HB3 ARG 22 HB3 ARG 22 -9.758 14.097 24.667 173 HG2 ARG 22 HG2 ARG 22 -11.660 12.641 24.954 174 HG3 ARG 22 HG3 ARG 22 -12.529 13.909 25.823 175 HD2 ARG 22 HD2 ARG 22 -11.523 14.260 23.012 176 HD3 ARG 22 HD3 ARG 22 -13.114 13.595 23.374 177 HE ARG 22 HE ARG 22 -13.742 15.706 24.298 178 HH11 ARG 22 HH11 ARG 22 -10.584 15.758 22.795 179 HH12 ARG 22 HH12 ARG 22 -10.631 17.454 22.458 180 HH21 ARG 22 HH21 ARG 22 -13.821 17.948 23.828 181 HH22 ARG 22 HH22 ARG 22 -12.466 18.700 23.025 182 H PHE 23 H PHE 23 -12.029 12.852 27.814 183 HA PHE 23 HA PHE 23 -12.910 15.259 29.145 184 HB2 PHE 23 HB2 PHE 23 -14.083 12.486 28.979 185 HB3 PHE 23 HB3 PHE 23 -14.816 13.782 29.919 186 HD1 PHE 23 HD1 PHE 23 -14.808 12.172 26.818 187 HD2 PHE 23 HD2 PHE 23 -15.158 16.036 28.567 188 HE1 PHE 23 HE1 PHE 23 -15.961 12.979 24.798 189 HE2 PHE 23 HE2 PHE 23 -16.313 16.848 26.552 190 HZ PHE 23 HZ PHE 23 -16.718 15.320 24.666 191 H SER 24 H SER 24 -11.294 12.304 30.061 192 HA SER 24 HA SER 24 -11.334 13.246 32.848 193 HB2 SER 24 HB2 SER 24 -12.730 11.173 32.393 194 HB3 SER 24 HB3 SER 24 -11.222 10.339 32.023 195 HG SER 24 HG SER 24 -10.624 10.425 34.091 196 H LYS 25 H LYS 25 -9.385 14.350 32.368 197 HA LYS 25 HA LYS 25 -7.082 12.602 32.704 198 HB2 LYS 25 HB2 LYS 25 -5.764 14.208 31.190 199 HB3 LYS 25 HB3 LYS 25 -6.794 13.012 30.427 200 HG2 LYS 25 HG2 LYS 25 -7.120 14.983 29.212 201 HG3 LYS 25 HG3 LYS 25 -8.543 14.840 30.237 202 HD2 LYS 25 HD2 LYS 25 -6.432 16.342 31.533 203 HD3 LYS 25 HD3 LYS 25 -6.888 17.052 29.983 204 HE2 LYS 25 HE2 LYS 25 -8.800 16.325 32.197 205 HE3 LYS 25 HE3 LYS 25 -8.205 17.951 31.867 206 HZ1 LYS 25 HZ1 LYS 25 -9.307 17.954 29.775 207 HZ2 LYS 25 HZ2 LYS 25 -10.439 17.452 30.933 208 HZ3 LYS 25 HZ3 LYS 25 -9.719 16.319 29.899 209 H SER 26 H SER 26 -5.110 13.955 33.335 210 HA SER 26 HA SER 26 -5.969 15.731 35.476 211 HB2 SER 26 HB2 SER 26 -4.430 13.803 35.926 212 HB3 SER 26 HB3 SER 26 -3.219 14.584 34.914 213 HG SER 26 HG SER 26 -2.702 15.256 36.900 214 H THR 27 H THR 27 -3.807 17.329 35.855 215 HA THR 27 HA THR 27 -4.088 19.234 33.685 216 HB THR 27 HB THR 27 -2.713 20.700 35.235 217 HG1 THR 27 HG1 THR 27 -1.691 19.294 36.578 218 HG21 THR 27 HG21 THR 27 -5.148 20.850 35.126 219 HG22 THR 27 HG22 THR 27 -4.580 21.089 36.780 220 HG23 THR 27 HG23 THR 27 -5.291 19.547 36.304 221 H THR 28 H THR 28 -2.438 16.722 33.494 222 HA THR 28 HA THR 28 0.209 17.877 33.019 223 HB THR 28 HB THR 28 0.715 15.290 32.769 224 HG1 THR 28 HG1 THR 28 -0.938 14.643 34.737 225 HG21 THR 28 HG21 THR 28 0.245 16.694 35.402 226 HG22 THR 28 HG22 THR 28 1.730 16.707 34.450 227 HG23 THR 28 HG23 THR 28 1.177 15.210 35.202 228 H MET 29 H MET 29 1.374 16.586 31.168 229 HA MET 29 HA MET 29 -0.369 16.747 28.820 230 HB2 MET 29 HB2 MET 29 1.790 16.743 27.532 231 HB3 MET 29 HB3 MET 29 1.571 18.124 28.597 232 HG2 MET 29 HG2 MET 29 3.032 17.054 30.257 233 HG3 MET 29 HG3 MET 29 3.277 15.706 29.152 234 HE1 MET 29 HE1 MET 29 5.934 16.161 29.566 235 HE2 MET 29 HE2 MET 29 5.549 17.565 30.560 236 HE3 MET 29 HE3 MET 29 6.700 17.713 29.232 237 H ASN 30 H ASN 30 -1.227 14.950 28.156 238 HA ASN 30 HA ASN 30 0.238 12.407 28.576 239 HB2 ASN 30 HB2 ASN 30 -2.767 12.799 28.642 240 HB3 ASN 30 HB3 ASN 30 -1.893 11.309 28.969 241 HD21 ASN 30 HD21 ASN 30 -3.768 12.761 30.647 242 HD22 ASN 30 HD22 ASN 30 -2.915 13.128 32.105 243 H ALA 31 H ALA 31 -0.771 10.645 27.052 244 HA ALA 31 HA ALA 31 -1.551 11.749 24.495 245 HB1 ALA 31 HB1 ALA 31 0.363 10.904 23.270 246 HB2 ALA 31 HB2 ALA 31 1.103 10.348 24.770 247 HB3 ALA 31 HB3 ALA 31 0.873 12.074 24.486 248 H LEU 32 H LEU 32 -2.635 10.372 23.276 249 HA LEU 32 HA LEU 32 -2.486 7.500 23.918 250 HB2 LEU 32 HB2 LEU 32 -4.678 8.904 24.415 251 HB3 LEU 32 HB3 LEU 32 -4.930 8.722 22.693 252 HG LEU 32 HG LEU 32 -4.654 6.450 24.668 253 HD11 LEU 32 HD11 LEU 32 -7.058 7.565 23.236 254 HD12 LEU 32 HD12 LEU 32 -6.735 7.642 24.968 255 HD13 LEU 32 HD13 LEU 32 -7.035 6.086 24.194 256 HD21 LEU 32 HD21 LEU 32 -5.332 6.406 21.728 257 HD22 LEU 32 HD22 LEU 32 -5.362 5.021 22.819 258 HD23 LEU 32 HD23 LEU 32 -3.834 5.824 22.455 259 H ILE 33 H ILE 33 -1.584 6.436 22.290 260 HA ILE 33 HA ILE 33 -1.373 7.724 19.684 261 HB ILE 33 HB ILE 33 -0.078 5.174 20.660 262 HG12 ILE 33 HG12 ILE 33 0.948 8.019 20.537 263 HG13 ILE 33 HG13 ILE 33 0.643 7.076 21.995 264 HG21 ILE 33 HG21 ILE 33 0.436 6.897 18.240 265 HG22 ILE 33 HG22 ILE 33 -0.217 5.260 18.246 266 HG23 ILE 33 HG23 ILE 33 1.451 5.546 18.746 267 HD11 ILE 33 HD11 ILE 33 2.733 6.507 19.906 268 HD12 ILE 33 HD12 ILE 33 2.430 5.534 21.346 269 HD13 ILE 33 HD13 ILE 33 3.009 7.192 21.508 270 H LEU 34 H LEU 34 -2.408 7.057 17.898 271 HA LEU 34 HA LEU 34 -4.212 4.749 18.199 272 HB2 LEU 34 HB2 LEU 34 -4.522 7.182 16.442 273 HB3 LEU 34 HB3 LEU 34 -5.666 5.860 16.569 274 HG LEU 34 HG LEU 34 -4.934 7.743 18.813 275 HD11 LEU 34 HD11 LEU 34 -7.431 7.588 17.131 276 HD12 LEU 34 HD12 LEU 34 -6.201 8.848 17.039 277 HD13 LEU 34 HD13 LEU 34 -7.166 8.663 18.503 278 HD21 LEU 34 HD21 LEU 34 -5.548 5.525 19.609 279 HD22 LEU 34 HD22 LEU 34 -7.024 5.575 18.643 280 HD23 LEU 34 HD23 LEU 34 -6.808 6.699 19.985 281 H LYS 35 H LYS 35 -4.663 3.522 16.263 282 HA LYS 35 HA LYS 35 -2.565 3.660 14.225 283 HB2 LYS 35 HB2 LYS 35 -1.555 1.975 15.321 284 HB3 LYS 35 HB3 LYS 35 -3.004 1.552 16.215 285 HG2 LYS 35 HG2 LYS 35 -3.399 -0.170 14.879 286 HG3 LYS 35 HG3 LYS 35 -3.296 0.852 13.448 287 HD2 LYS 35 HD2 LYS 35 -1.303 0.011 12.934 288 HD3 LYS 35 HD3 LYS 35 -0.675 0.429 14.529 289 HE2 LYS 35 HE2 LYS 35 -2.252 -2.054 13.869 290 HE3 LYS 35 HE3 LYS 35 -0.497 -1.984 14.032 291 HZ1 LYS 35 HZ1 LYS 35 -0.959 -1.098 16.356 292 HZ2 LYS 35 HZ2 LYS 35 -1.277 -2.739 16.089 293 HZ3 LYS 35 HZ3 LYS 35 -2.551 -1.627 16.134 294 H ILE 36 H ILE 36 -3.348 3.478 12.232 295 HA ILE 36 HA ILE 36 -5.965 2.199 11.819 296 HB ILE 36 HB ILE 36 -4.384 3.970 9.938 297 HG12 ILE 36 HG12 ILE 36 -7.046 4.667 11.152 298 HG13 ILE 36 HG13 ILE 36 -5.558 5.024 12.014 299 HG21 ILE 36 HG21 ILE 36 -6.422 3.931 8.548 300 HG22 ILE 36 HG22 ILE 36 -7.139 2.759 9.654 301 HG23 ILE 36 HG23 ILE 36 -5.702 2.331 8.726 302 HD11 ILE 36 HD11 ILE 36 -6.286 6.009 9.277 303 HD12 ILE 36 HD12 ILE 36 -4.787 6.366 10.137 304 HD13 ILE 36 HD13 ILE 36 -6.329 6.944 10.771 305 H ASP 37 H ASP 37 -5.952 0.196 10.978 306 HA ASP 37 HA ASP 37 -3.651 -0.548 9.285 307 HB2 ASP 37 HB2 ASP 37 -3.813 -1.794 11.481 308 HB3 ASP 37 HB3 ASP 37 -5.335 -2.470 10.908 309 H ARG 38 H ARG 38 -4.153 -1.112 7.218 310 HA ARG 38 HA ARG 38 -6.888 -0.776 6.396 311 HB2 ARG 38 HB2 ARG 38 -6.117 -0.815 4.161 312 HB3 ARG 38 HB3 ARG 38 -4.878 0.031 5.076 313 HG2 ARG 38 HG2 ARG 38 -4.662 -2.900 4.488 314 HG3 ARG 38 HG3 ARG 38 -4.138 -1.682 3.328 315 HD2 ARG 38 HD2 ARG 38 -2.431 -0.926 4.702 316 HD3 ARG 38 HD3 ARG 38 -3.170 -1.592 6.155 317 HE ARG 38 HE ARG 38 -2.220 -3.454 4.100 318 HH11 ARG 38 HH11 ARG 38 -1.738 -1.970 7.234 319 HH12 ARG 38 HH12 ARG 38 -0.674 -3.211 7.808 320 HH21 ARG 38 HH21 ARG 38 -0.775 -5.087 4.854 321 HH22 ARG 38 HH22 ARG 38 -0.088 -4.945 6.446 322 H GLU 39 H GLU 39 -4.880 -3.439 7.179 323 HA GLU 39 HA GLU 39 -6.457 -5.334 5.623 324 HB2 GLU 39 HB2 GLU 39 -3.931 -5.463 5.844 325 HB3 GLU 39 HB3 GLU 39 -4.182 -5.920 7.523 326 HG2 GLU 39 HG2 GLU 39 -5.359 -7.912 6.852 327 HG3 GLU 39 HG3 GLU 39 -5.256 -7.437 5.157 328 H SER 40 H SER 40 -5.731 -4.465 8.967 329 HA SER 40 HA SER 40 -7.664 -6.280 10.072 330 HB2 SER 40 HB2 SER 40 -6.403 -3.817 11.311 331 HB3 SER 40 HB3 SER 40 -7.257 -5.095 12.180 332 HG SER 40 HG SER 40 -5.059 -5.736 10.538 333 H HIS 41 H HIS 41 -7.657 -3.047 8.802 334 HA HIS 41 HA HIS 41 -9.343 -1.726 8.061 335 HB2 HIS 41 HB2 HIS 41 -10.270 -3.769 7.158 336 HB3 HIS 41 HB3 HIS 41 -11.010 -4.173 8.698 337 HD1 HIS 41 HD1 HIS 41 -13.349 -3.385 9.058 338 HD2 HIS 41 HD2 HIS 41 -11.511 -1.492 5.841 339 HE1 HIS 41 HE1 HIS 41 -15.165 -2.070 7.916 340 HE2 HIS 41 HE2 HIS 41 -13.985 -0.780 6.099 341 H GLU 42 H GLU 42 -8.565 -1.938 10.960 342 HA GLU 42 HA GLU 42 -10.843 -0.449 12.024 343 HB2 GLU 42 HB2 GLU 42 -10.564 -1.614 14.213 344 HB3 GLU 42 HB3 GLU 42 -11.162 -2.646 12.925 345 HG2 GLU 42 HG2 GLU 42 -8.873 -3.519 12.612 346 HG3 GLU 42 HG3 GLU 42 -8.349 -2.548 13.987 347 H LEU 43 H LEU 43 -10.351 1.110 13.541 348 HA LEU 43 HA LEU 43 -7.521 1.834 13.743 349 HB2 LEU 43 HB2 LEU 43 -9.254 3.514 12.988 350 HB3 LEU 43 HB3 LEU 43 -9.952 3.425 14.591 351 HG LEU 43 HG LEU 43 -7.076 4.218 14.225 352 HD11 LEU 43 HD11 LEU 43 -9.471 6.050 14.122 353 HD12 LEU 43 HD12 LEU 43 -8.409 5.669 12.768 354 HD13 LEU 43 HD13 LEU 43 -7.779 6.550 14.160 355 HD21 LEU 43 HD21 LEU 43 -7.869 3.695 16.489 356 HD22 LEU 43 HD22 LEU 43 -9.147 4.896 16.314 357 HD23 LEU 43 HD23 LEU 43 -7.457 5.401 16.320 358 H GLN 44 H GLN 44 -6.435 1.493 15.588 359 HA GLN 44 HA GLN 44 -8.003 0.674 17.948 360 HB2 GLN 44 HB2 GLN 44 -5.305 -0.432 17.174 361 HB3 GLN 44 HB3 GLN 44 -6.392 -1.015 18.430 362 HG2 GLN 44 HG2 GLN 44 -7.910 -1.881 16.847 363 HG3 GLN 44 HG3 GLN 44 -7.109 -1.044 15.518 364 HE21 GLN 44 HE21 GLN 44 -7.686 -3.897 15.938 365 HE22 GLN 44 HE22 GLN 44 -6.154 -4.700 15.824 366 H SER 45 H SER 45 -6.923 0.969 19.996 367 HA SER 45 HA SER 45 -5.225 3.329 20.026 368 HB2 SER 45 HB2 SER 45 -5.580 3.137 22.535 369 HB3 SER 45 HB3 SER 45 -7.041 3.400 21.583 370 HG SER 45 HG SER 45 -6.772 1.565 23.319 371 H GLU 46 H GLU 46 -3.137 2.931 19.701 372 HA GLU 46 HA GLU 46 -1.825 0.498 20.145 373 HB2 GLU 46 HB2 GLU 46 -0.702 3.295 19.920 374 HB3 GLU 46 HB3 GLU 46 0.268 1.832 19.878 375 HG2 GLU 46 HG2 GLU 46 -1.913 2.491 17.924 376 HG3 GLU 46 HG3 GLU 46 -0.193 2.771 17.653 377 H GLN 47 H GLN 47 -1.547 3.530 22.012 378 HA GLN 47 HA GLN 47 -1.415 2.143 24.506 379 HB2 GLN 47 HB2 GLN 47 0.898 2.906 25.096 380 HB3 GLN 47 HB3 GLN 47 0.851 1.656 23.860 381 HG2 GLN 47 HG2 GLN 47 1.201 3.315 22.132 382 HG3 GLN 47 HG3 GLN 47 1.181 4.599 23.336 383 HE21 GLN 47 HE21 GLN 47 2.705 3.047 25.288 384 HE22 GLN 47 HE22 GLN 47 4.343 3.057 24.714 385 H LEU 48 H LEU 48 -1.355 3.566 26.307 386 HA LEU 48 HA LEU 48 -1.674 6.423 25.664 387 HB2 LEU 48 HB2 LEU 48 -3.876 5.243 26.103 388 HB3 LEU 48 HB3 LEU 48 -3.302 4.907 27.720 389 HG LEU 48 HG LEU 48 -3.604 7.723 26.667 390 HD11 LEU 48 HD11 LEU 48 -5.739 7.784 27.870 391 HD12 LEU 48 HD12 LEU 48 -5.591 6.059 28.205 392 HD13 LEU 48 HD13 LEU 48 -5.767 6.623 26.543 393 HD21 LEU 48 HD21 LEU 48 -2.178 7.486 28.638 394 HD22 LEU 48 HD22 LEU 48 -3.456 6.597 29.465 395 HD23 LEU 48 HD23 LEU 48 -3.691 8.295 29.050 396 H LEU 49 H LEU 49 -0.228 7.602 26.772 397 HA LEU 49 HA LEU 49 0.685 6.552 29.358 398 HB2 LEU 49 HB2 LEU 49 2.940 7.249 28.953 399 HB3 LEU 49 HB3 LEU 49 2.424 6.204 27.657 400 HG LEU 49 HG LEU 49 2.574 9.206 27.428 401 HD11 LEU 49 HD11 LEU 49 4.613 8.798 26.124 402 HD12 LEU 49 HD12 LEU 49 4.521 7.085 26.535 403 HD13 LEU 49 HD13 LEU 49 4.786 8.283 27.802 404 HD21 LEU 49 HD21 LEU 49 2.268 7.050 25.337 405 HD22 LEU 49 HD22 LEU 49 2.449 8.776 25.023 406 HD23 LEU 49 HD23 LEU 49 1.013 8.177 25.853 407 H ASN 50 H ASN 50 1.246 8.083 30.929 408 HA ASN 50 HA ASN 50 0.250 10.789 30.385 409 HB2 ASN 50 HB2 ASN 50 -1.144 10.839 32.304 410 HB3 ASN 50 HB3 ASN 50 -1.538 9.357 31.448 411 HD21 ASN 50 HD21 ASN 50 0.629 7.754 32.384 412 HD22 ASN 50 HD22 ASN 50 0.380 7.485 34.070 413 H ASP 51 H ASP 51 1.026 12.429 31.702 414 HA ASP 51 HA ASP 51 2.494 13.580 32.987 415 HB2 ASP 51 HB2 ASP 51 1.608 12.058 34.765 416 HB3 ASP 51 HB3 ASP 51 2.957 10.973 34.451 417 H CYS 52 H CYS 52 3.357 11.910 30.616 418 HA CYS 52 HA CYS 52 6.215 11.646 31.190 419 HB2 CYS 52 HB2 CYS 52 4.622 10.855 28.739 420 HB3 CYS 52 HB3 CYS 52 6.341 10.558 28.974 421 HG CYS 52 HG CYS 52 6.152 8.474 30.538 422 H SER 53 H SER 53 7.518 12.295 29.015 423 HA SER 53 HA SER 53 6.895 15.145 28.696 424 HB2 SER 53 HB2 SER 53 9.263 15.384 28.033 425 HB3 SER 53 HB3 SER 53 9.107 14.631 29.621 426 HG SER 53 HG SER 53 9.519 12.630 28.688 427 H ILE 54 H ILE 54 7.325 16.133 26.612 428 HA ILE 54 HA ILE 54 5.936 14.981 24.504 429 HB ILE 54 HB ILE 54 6.194 17.338 24.561 430 HG12 ILE 54 HG12 ILE 54 7.189 17.827 22.303 431 HG13 ILE 54 HG13 ILE 54 7.712 16.151 22.235 432 HG21 ILE 54 HG21 ILE 54 8.348 18.470 24.281 433 HG22 ILE 54 HG22 ILE 54 9.164 16.907 24.329 434 HG23 ILE 54 HG23 ILE 54 8.295 17.492 25.748 435 HD11 ILE 54 HD11 ILE 54 4.862 17.094 22.449 436 HD12 ILE 54 HD12 ILE 54 5.393 15.415 22.361 437 HD13 ILE 54 HD13 ILE 54 5.651 16.495 20.990 438 H GLU 55 H GLU 55 9.401 14.945 25.194 439 HA GLU 55 HA GLU 55 10.229 13.935 22.686 440 HB2 GLU 55 HB2 GLU 55 11.686 15.033 24.443 441 HB3 GLU 55 HB3 GLU 55 11.623 13.515 25.330 442 HG2 GLU 55 HG2 GLU 55 12.663 12.367 23.443 443 HG3 GLU 55 HG3 GLU 55 12.727 13.889 22.555 444 H GLU 56 H GLU 56 8.998 12.449 25.588 445 HA GLU 56 HA GLU 56 9.776 9.791 24.917 446 HB2 GLU 56 HB2 GLU 56 7.826 10.928 26.902 447 HB3 GLU 56 HB3 GLU 56 8.001 9.192 26.667 448 HG2 GLU 56 HG2 GLU 56 10.255 9.232 27.376 449 HG3 GLU 56 HG3 GLU 56 10.309 10.991 27.325 450 H PHE 57 H PHE 57 6.886 11.747 24.338 451 HA PHE 57 HA PHE 57 5.259 9.661 23.373 452 HB2 PHE 57 HB2 PHE 57 5.212 12.564 22.516 453 HB3 PHE 57 HB3 PHE 57 3.896 11.403 22.370 454 HD1 PHE 57 HD1 PHE 57 3.740 10.121 24.916 455 HD2 PHE 57 HD2 PHE 57 4.626 14.182 24.032 456 HE1 PHE 57 HE1 PHE 57 2.898 10.783 27.130 457 HE2 PHE 57 HE2 PHE 57 3.785 14.852 26.244 458 HZ PHE 57 HZ PHE 57 2.920 13.152 27.798 459 H LYS 58 H LYS 58 7.901 11.373 22.016 460 HA LYS 58 HA LYS 58 7.409 10.496 19.301 461 HB2 LYS 58 HB2 LYS 58 8.421 12.535 19.173 462 HB3 LYS 58 HB3 LYS 58 9.282 12.322 20.687 463 HG2 LYS 58 HG2 LYS 58 10.308 10.541 18.654 464 HG3 LYS 58 HG3 LYS 58 10.340 12.223 18.118 465 HD2 LYS 58 HD2 LYS 58 11.496 12.834 20.222 466 HD3 LYS 58 HD3 LYS 58 11.526 11.130 20.674 467 HE2 LYS 58 HE2 LYS 58 12.902 10.617 18.737 468 HE3 LYS 58 HE3 LYS 58 12.811 12.294 18.203 469 HZ1 LYS 58 HZ1 LYS 58 14.884 12.001 19.280 470 HZ2 LYS 58 HZ2 LYS 58 14.177 11.239 20.621 471 HZ3 LYS 58 HZ3 LYS 58 13.913 12.890 20.347 472 H GLU 59 H GLU 59 9.634 9.768 21.949 473 HA GLU 59 HA GLU 59 11.184 8.018 20.208 474 HB2 GLU 59 HB2 GLU 59 12.104 9.866 21.737 475 HB3 GLU 59 HB3 GLU 59 11.819 8.735 23.051 476 HG2 GLU 59 HG2 GLU 59 13.397 7.203 22.199 477 HG3 GLU 59 HG3 GLU 59 13.502 8.063 20.660 478 H GLU 60 H GLU 60 8.636 7.657 22.336 479 HA GLU 60 HA GLU 60 9.403 5.437 23.884 480 HB2 GLU 60 HB2 GLU 60 7.196 7.020 23.791 481 HB3 GLU 60 HB3 GLU 60 6.570 5.563 23.038 482 HG2 GLU 60 HG2 GLU 60 7.851 5.726 25.758 483 HG3 GLU 60 HG3 GLU 60 6.127 5.623 25.434 484 H LEU 61 H LEU 61 7.797 5.652 20.722 485 HA LEU 61 HA LEU 61 8.071 2.728 20.487 486 HB2 LEU 61 HB2 LEU 61 6.044 2.628 19.235 487 HB3 LEU 61 HB3 LEU 61 5.717 3.520 20.706 488 HG LEU 61 HG LEU 61 6.238 4.864 18.052 489 HD11 LEU 61 HD11 LEU 61 3.592 4.170 19.322 490 HD12 LEU 61 HD12 LEU 61 4.267 3.432 17.869 491 HD13 LEU 61 HD13 LEU 61 3.822 5.139 17.867 492 HD21 LEU 61 HD21 LEU 61 5.162 6.779 19.120 493 HD22 LEU 61 HD22 LEU 61 6.590 6.265 20.020 494 HD23 LEU 61 HD23 LEU 61 4.979 5.853 20.609 495 HA PRO 62 HA PRO 62 10.179 3.582 16.601 496 HB2 PRO 62 HB2 PRO 62 10.354 1.014 15.777 497 HB3 PRO 62 HB3 PRO 62 11.430 1.676 17.012 498 HG2 PRO 62 HG2 PRO 62 9.002 -0.033 17.329 499 HG3 PRO 62 HG3 PRO 62 10.543 -0.101 18.203 500 HD2 PRO 62 HD2 PRO 62 8.272 1.061 19.202 501 HD3 PRO 62 HD3 PRO 62 9.913 1.538 19.679 502 H SER 63 H SER 63 8.406 4.660 15.729 503 HA SER 63 HA SER 63 5.981 3.553 14.996 504 HB2 SER 63 HB2 SER 63 5.876 5.506 13.372 505 HB3 SER 63 HB3 SER 63 6.180 5.923 15.058 506 HG SER 63 HG SER 63 7.642 7.049 13.829 507 H GLN 64 H GLN 64 8.767 4.208 12.884 508 HA GLN 64 HA GLN 64 9.481 3.317 10.916 509 HB2 GLN 64 HB2 GLN 64 7.555 1.058 11.504 510 HB3 GLN 64 HB3 GLN 64 8.771 1.055 10.237 511 HG2 GLN 64 HG2 GLN 64 10.525 1.212 11.959 512 HG3 GLN 64 HG3 GLN 64 9.277 1.125 13.203 513 HE21 GLN 64 HE21 GLN 64 10.070 -0.798 14.052 514 HE22 GLN 64 HE22 GLN 64 9.920 -2.310 13.226 515 H GLN 65 H GLN 65 6.036 2.991 11.419 516 HA GLN 65 HA GLN 65 5.507 3.893 8.662 517 HB2 GLN 65 HB2 GLN 65 3.531 2.673 10.596 518 HB3 GLN 65 HB3 GLN 65 3.361 2.850 8.856 519 HG2 GLN 65 HG2 GLN 65 5.092 1.191 8.491 520 HG3 GLN 65 HG3 GLN 65 5.339 1.047 10.232 521 HE21 GLN 65 HE21 GLN 65 3.311 0.241 7.554 522 HE22 GLN 65 HE22 GLN 65 2.300 -0.880 8.391 523 HA PRO 66 HA PRO 66 3.803 7.748 10.124 524 HB2 PRO 66 HB2 PRO 66 1.272 7.707 8.942 525 HB3 PRO 66 HB3 PRO 66 2.750 8.314 8.191 526 HG2 PRO 66 HG2 PRO 66 1.381 5.702 7.843 527 HG3 PRO 66 HG3 PRO 66 2.296 6.665 6.670 528 HD2 PRO 66 HD2 PRO 66 3.297 4.434 7.828 529 HD3 PRO 66 HD3 PRO 66 4.318 5.809 7.360 530 H ARG 67 H ARG 67 3.623 7.198 12.311 531 HA ARG 67 HA ARG 67 1.053 6.083 13.201 532 HB2 ARG 67 HB2 ARG 67 3.675 5.581 14.000 533 HB3 ARG 67 HB3 ARG 67 3.035 6.608 15.273 534 HG2 ARG 67 HG2 ARG 67 2.726 4.307 15.864 535 HG3 ARG 67 HG3 ARG 67 1.151 5.035 15.536 536 HD2 ARG 67 HD2 ARG 67 0.949 3.944 13.478 537 HD3 ARG 67 HD3 ARG 67 2.670 3.566 13.409 538 HE ARG 67 HE ARG 67 1.059 2.336 15.522 539 HH11 ARG 67 HH11 ARG 67 2.752 2.017 12.481 540 HH12 ARG 67 HH12 ARG 67 2.915 0.295 12.597 541 HH21 ARG 67 HH21 ARG 67 1.254 0.074 15.693 542 HH22 ARG 67 HH22 ARG 67 2.047 -0.820 14.416 543 H PHE 68 H PHE 68 -0.265 7.275 14.657 544 HA PHE 68 HA PHE 68 0.622 10.050 14.986 545 HB2 PHE 68 HB2 PHE 68 -1.771 10.757 14.786 546 HB3 PHE 68 HB3 PHE 68 -1.030 10.177 13.307 547 HD1 PHE 68 HD1 PHE 68 -1.463 7.605 12.811 548 HD2 PHE 68 HD2 PHE 68 -3.874 10.069 15.310 549 HE1 PHE 68 HE1 PHE 68 -3.376 6.103 12.445 550 HE2 PHE 68 HE2 PHE 68 -5.784 8.563 14.956 551 HZ PHE 68 HZ PHE 68 -5.537 6.576 13.523 552 H ILE 69 H ILE 69 0.601 10.873 16.859 553 HA ILE 69 HA ILE 69 -0.632 9.353 19.048 554 HB ILE 69 HB ILE 69 1.691 9.237 19.359 555 HG12 ILE 69 HG12 ILE 69 0.235 10.327 21.297 556 HG13 ILE 69 HG13 ILE 69 1.967 10.086 21.467 557 HG21 ILE 69 HG21 ILE 69 2.387 10.819 17.681 558 HG22 ILE 69 HG22 ILE 69 3.223 11.147 19.197 559 HG23 ILE 69 HG23 ILE 69 1.874 12.167 18.695 560 HD11 ILE 69 HD11 ILE 69 1.328 12.271 22.275 561 HD12 ILE 69 HD12 ILE 69 0.592 12.660 20.721 562 HD13 ILE 69 HD13 ILE 69 2.338 12.432 20.838 563 H LEU 70 H LEU 70 -2.217 10.318 20.117 564 HA LEU 70 HA LEU 70 -2.715 13.146 19.605 565 HB2 LEU 70 HB2 LEU 70 -4.510 11.388 19.335 566 HB3 LEU 70 HB3 LEU 70 -4.472 11.179 21.073 567 HG LEU 70 HG LEU 70 -4.987 13.909 19.955 568 HD11 LEU 70 HD11 LEU 70 -7.380 13.427 19.883 569 HD12 LEU 70 HD12 LEU 70 -7.052 11.729 20.231 570 HD13 LEU 70 HD13 LEU 70 -6.495 12.443 18.718 571 HD21 LEU 70 HD21 LEU 70 -5.954 12.430 22.402 572 HD22 LEU 70 HD22 LEU 70 -6.337 14.101 21.990 573 HD23 LEU 70 HD23 LEU 70 -4.675 13.645 22.359 574 H LEU 71 H LEU 71 -1.675 14.446 20.892 575 HA LEU 71 HA LEU 71 -1.206 13.717 23.692 576 HB2 LEU 71 HB2 LEU 71 0.749 14.336 22.343 577 HB3 LEU 71 HB3 LEU 71 0.005 15.865 21.932 578 HG LEU 71 HG LEU 71 0.692 15.178 24.787 579 HD11 LEU 71 HD11 LEU 71 2.458 16.516 22.737 580 HD12 LEU 71 HD12 LEU 71 2.714 14.912 23.424 581 HD13 LEU 71 HD13 LEU 71 2.812 16.339 24.455 582 HD21 LEU 71 HD21 LEU 71 -0.779 17.104 24.420 583 HD22 LEU 71 HD22 LEU 71 0.401 17.793 23.305 584 HD23 LEU 71 HD23 LEU 71 0.803 17.612 25.013 585 H SER 72 H SER 72 -2.155 14.788 25.329 586 HA SER 72 HA SER 72 -3.874 17.079 24.658 587 HB2 SER 72 HB2 SER 72 -5.133 15.262 25.647 588 HB3 SER 72 HB3 SER 72 -3.982 15.124 26.972 589 HG SER 72 HG SER 72 -4.633 17.208 27.648 590 H TRP 73 H TRP 73 -3.092 18.983 25.202 591 HA TRP 73 HA TRP 73 -0.976 19.083 27.250 592 HB2 TRP 73 HB2 TRP 73 0.009 19.512 25.136 593 HB3 TRP 73 HB3 TRP 73 -1.312 20.555 24.647 594 HD1 TRP 73 HD1 TRP 73 -1.165 23.095 25.311 595 HE1 TRP 73 HE1 TRP 73 0.692 24.546 26.336 596 HE3 TRP 73 HE3 TRP 73 1.998 19.394 26.876 597 HZ2 TRP 73 HZ2 TRP 73 3.168 24.179 27.627 598 HZ3 TRP 73 HZ3 TRP 73 4.093 20.033 27.993 599 HH2 TRP 73 HH2 TRP 73 4.666 22.378 28.361 600 H CYS 74 H CYS 74 -1.438 20.222 28.991 601 HA CYS 74 HA CYS 74 -3.790 21.769 29.269 602 HB2 CYS 74 HB2 CYS 74 -2.720 22.478 31.439 603 HB3 CYS 74 HB3 CYS 74 -2.846 20.736 31.209 604 HG CYS 74 HG CYS 74 0.010 22.520 30.606 605 H LYS 75 H LYS 75 -4.043 23.554 28.040 606 HA LYS 75 HA LYS 75 -1.947 25.609 28.196 607 HB2 LYS 75 HB2 LYS 75 -1.994 24.370 25.967 608 HB3 LYS 75 HB3 LYS 75 -3.574 25.090 25.703 609 HG2 LYS 75 HG2 LYS 75 -1.223 26.829 26.323 610 HG3 LYS 75 HG3 LYS 75 -1.458 26.200 24.693 611 HD2 LYS 75 HD2 LYS 75 -3.624 27.663 26.178 612 HD3 LYS 75 HD3 LYS 75 -2.423 28.505 25.200 613 HE2 LYS 75 HE2 LYS 75 -4.220 26.309 24.179 614 HE3 LYS 75 HE3 LYS 75 -4.560 28.030 24.009 615 HZ1 LYS 75 HZ1 LYS 75 -3.548 27.157 22.014 616 HZ2 LYS 75 HZ2 LYS 75 -2.211 26.598 22.883 617 HZ3 LYS 75 HZ3 LYS 75 -2.495 28.264 22.750 618 H LYS 76 H LYS 76 -2.810 27.125 29.406 619 HA LYS 76 HA LYS 76 -5.649 27.618 29.476 620 HB2 LYS 76 HB2 LYS 76 -4.280 27.739 31.520 621 HB3 LYS 76 HB3 LYS 76 -3.351 29.056 30.824 622 HG2 LYS 76 HG2 LYS 76 -5.294 30.490 30.839 623 HG3 LYS 76 HG3 LYS 76 -6.300 29.163 31.424 624 HD2 LYS 76 HD2 LYS 76 -3.977 30.419 32.886 625 HD3 LYS 76 HD3 LYS 76 -5.687 30.662 33.247 626 HE2 LYS 76 HE2 LYS 76 -5.898 28.247 33.713 627 HE3 LYS 76 HE3 LYS 76 -4.170 28.060 33.427 628 HZ1 LYS 76 HZ1 LYS 76 -3.849 29.731 35.258 629 HZ2 LYS 76 HZ2 LYS 76 -4.454 28.220 35.738 630 HZ3 LYS 76 HZ3 LYS 76 -5.500 29.550 35.615 631 H HIS 77 H HIS 77 -6.731 29.293 28.544 632 HA HIS 77 HA HIS 77 -5.394 30.791 26.481 633 HB2 HIS 77 HB2 HIS 77 -8.228 30.864 27.529 634 HB3 HIS 77 HB3 HIS 77 -7.654 31.917 26.245 635 HD1 HIS 77 HD1 HIS 77 -7.111 30.780 23.944 636 HD2 HIS 77 HD2 HIS 77 -8.830 28.279 26.780 637 HE1 HIS 77 HE1 HIS 77 -7.935 28.778 22.667 638 HE2 HIS 77 HE2 HIS 77 -9.204 27.417 24.372 639 H SER 78 H SER 78 -5.636 33.207 26.366 640 HA SER 78 HA SER 78 -4.588 34.437 28.698 641 HB2 SER 78 HB2 SER 78 -4.987 36.562 27.327 642 HB3 SER 78 HB3 SER 78 -3.932 35.344 26.606 643 HG SER 78 HG SER 78 -5.445 36.072 25.080 644 H ASP 79 H ASP 79 -7.654 33.501 27.946 645 HA ASP 79 HA ASP 79 -9.148 35.628 29.169 646 HB2 ASP 79 HB2 ASP 79 -9.972 34.000 27.377 647 HB3 ASP 79 HB3 ASP 79 -10.082 32.801 28.660 648 H GLU 80 H GLU 80 -7.119 33.320 30.318 649 HA GLU 80 HA GLU 80 -6.422 32.873 32.422 650 HB2 GLU 80 HB2 GLU 80 -8.818 34.473 33.309 651 HB3 GLU 80 HB3 GLU 80 -7.583 33.833 34.384 652 HG2 GLU 80 HG2 GLU 80 -5.895 35.182 33.242 653 HG3 GLU 80 HG3 GLU 80 -7.148 35.837 32.185 654 H ARG 81 H ARG 81 -8.817 31.519 30.916 655 HA ARG 81 HA ARG 81 -9.410 29.702 33.140 656 HB2 ARG 81 HB2 ARG 81 -11.401 28.982 31.926 657 HB3 ARG 81 HB3 ARG 81 -11.435 30.716 32.203 658 HG2 ARG 81 HG2 ARG 81 -10.570 30.983 29.845 659 HG3 ARG 81 HG3 ARG 81 -10.899 29.261 29.631 660 HD2 ARG 81 HD2 ARG 81 -12.861 31.455 30.268 661 HD3 ARG 81 HD3 ARG 81 -12.795 30.448 28.824 662 HE ARG 81 HE ARG 81 -13.157 28.643 30.804 663 HH11 ARG 81 HH11 ARG 81 -14.867 31.554 29.865 664 HH12 ARG 81 HH12 ARG 81 -16.376 31.038 30.560 665 HH21 ARG 81 HH21 ARG 81 -15.138 27.957 31.692 666 HH22 ARG 81 HH22 ARG 81 -16.535 28.992 31.576 667 H ILE 82 H ILE 82 -8.771 27.627 32.983 668 HA ILE 82 HA ILE 82 -6.723 27.201 31.008 669 HB ILE 82 HB ILE 82 -6.283 26.621 33.345 670 HG12 ILE 82 HG12 ILE 82 -6.316 24.209 31.522 671 HG13 ILE 82 HG13 ILE 82 -5.092 25.473 31.519 672 HG21 ILE 82 HG21 ILE 82 -8.383 24.489 32.979 673 HG22 ILE 82 HG22 ILE 82 -8.512 25.912 34.012 674 HG23 ILE 82 HG23 ILE 82 -7.323 24.661 34.377 675 HD11 ILE 82 HD11 ILE 82 -4.437 24.851 33.783 676 HD12 ILE 82 HD12 ILE 82 -4.319 23.483 32.676 677 HD13 ILE 82 HD13 ILE 82 -5.677 23.596 33.797 678 H SER 83 H SER 83 -6.725 25.857 29.344 679 HA SER 83 HA SER 83 -9.027 24.067 29.007 680 HB2 SER 83 HB2 SER 83 -7.675 25.682 26.828 681 HB3 SER 83 HB3 SER 83 -9.043 24.586 26.621 682 HG SER 83 HG SER 83 -9.850 26.167 28.468 683 H TYR 84 H TYR 84 -8.541 22.292 27.431 684 HA TYR 84 HA TYR 84 -5.688 21.592 27.448 685 HB2 TYR 84 HB2 TYR 84 -7.932 19.611 27.896 686 HB3 TYR 84 HB3 TYR 84 -6.204 19.297 27.984 687 HD1 TYR 84 HD1 TYR 84 -4.902 20.040 29.922 688 HD2 TYR 84 HD2 TYR 84 -9.110 20.637 29.731 689 HE1 TYR 84 HE1 TYR 84 -4.945 20.478 32.341 690 HE2 TYR 84 HE2 TYR 84 -9.162 21.077 32.148 691 HH TYR 84 HH TYR 84 -6.366 21.627 33.982 692 HA PRO 85 HA PRO 85 -7.219 21.212 23.120 693 HB2 PRO 85 HB2 PRO 85 -4.806 21.917 22.043 694 HB3 PRO 85 HB3 PRO 85 -6.090 23.070 22.422 695 HG2 PRO 85 HG2 PRO 85 -3.622 22.400 23.964 696 HG3 PRO 85 HG3 PRO 85 -4.402 23.974 23.720 697 HD2 PRO 85 HD2 PRO 85 -4.656 22.548 26.009 698 HD3 PRO 85 HD3 PRO 85 -5.931 23.618 25.396 699 H MET 86 H MET 86 -7.151 19.263 22.215 700 HA MET 86 HA MET 86 -4.793 17.579 22.673 701 HB2 MET 86 HB2 MET 86 -7.555 16.824 21.693 702 HB3 MET 86 HB3 MET 86 -6.211 15.705 21.849 703 HG2 MET 86 HG2 MET 86 -7.365 15.310 23.782 704 HG3 MET 86 HG3 MET 86 -6.182 16.501 24.319 705 HE1 MET 86 HE1 MET 86 -7.401 17.313 26.426 706 HE2 MET 86 HE2 MET 86 -8.537 15.989 26.167 707 HE3 MET 86 HE3 MET 86 -9.137 17.613 26.508 708 H LEU 87 H LEU 87 -3.505 16.985 21.044 709 HA LEU 87 HA LEU 87 -4.439 17.484 18.323 710 HB2 LEU 87 HB2 LEU 87 -2.099 18.237 17.723 711 HB3 LEU 87 HB3 LEU 87 -3.113 19.368 18.576 712 HG LEU 87 HG LEU 87 -0.782 19.495 19.281 713 HD11 LEU 87 HD11 LEU 87 -2.544 18.429 21.471 714 HD12 LEU 87 HD12 LEU 87 -2.512 20.090 20.880 715 HD13 LEU 87 HD13 LEU 87 -1.092 19.411 21.679 716 HD21 LEU 87 HD21 LEU 87 -1.124 16.668 20.239 717 HD22 LEU 87 HD22 LEU 87 0.276 17.703 20.528 718 HD23 LEU 87 HD23 LEU 87 -0.127 17.201 18.886 719 H LEU 88 H LEU 88 -3.525 16.172 16.703 720 HA LEU 88 HA LEU 88 -2.166 13.804 17.794 721 HB2 LEU 88 HB2 LEU 88 -3.295 12.425 16.136 722 HB3 LEU 88 HB3 LEU 88 -4.453 13.252 17.157 723 HG LEU 88 HG LEU 88 -4.170 14.938 14.970 724 HD11 LEU 88 HD11 LEU 88 -4.254 12.067 14.052 725 HD12 LEU 88 HD12 LEU 88 -2.972 13.236 13.731 726 HD13 LEU 88 HD13 LEU 88 -4.577 13.474 13.038 727 HD21 LEU 88 HD21 LEU 88 -6.447 14.236 14.451 728 HD22 LEU 88 HD22 LEU 88 -6.228 14.433 16.190 729 HD23 LEU 88 HD23 LEU 88 -6.253 12.817 15.480 730 H ILE 89 H ILE 89 -0.202 13.574 17.091 731 HA ILE 89 HA ILE 89 0.539 14.894 14.569 732 HB ILE 89 HB ILE 89 2.293 14.219 16.931 733 HG12 ILE 89 HG12 ILE 89 1.363 16.914 15.930 734 HG13 ILE 89 HG13 ILE 89 0.656 16.070 17.302 735 HG21 ILE 89 HG21 ILE 89 2.943 15.729 14.406 736 HG22 ILE 89 HG22 ILE 89 3.511 14.111 14.818 737 HG23 ILE 89 HG23 ILE 89 4.024 15.497 15.780 738 HD11 ILE 89 HD11 ILE 89 2.205 17.784 18.031 739 HD12 ILE 89 HD12 ILE 89 3.499 17.042 17.089 740 HD13 ILE 89 HD13 ILE 89 2.807 16.184 18.466 741 H TYR 90 H TYR 90 0.835 13.557 12.940 742 HA TYR 90 HA TYR 90 1.849 10.870 13.534 743 HB2 TYR 90 HB2 TYR 90 0.951 10.238 11.255 744 HB3 TYR 90 HB3 TYR 90 -0.238 10.568 12.498 745 HD1 TYR 90 HD1 TYR 90 0.646 11.131 9.164 746 HD2 TYR 90 HD2 TYR 90 -1.167 13.056 12.496 747 HE1 TYR 90 HE1 TYR 90 -0.517 12.666 7.638 748 HE2 TYR 90 HE2 TYR 90 -2.333 14.599 10.979 749 HH TYR 90 HH TYR 90 -1.858 15.497 8.557 750 H TYR 91 H TYR 91 3.781 10.392 12.976 751 HA TYR 91 HA TYR 91 5.135 12.100 11.012 752 HB2 TYR 91 HB2 TYR 91 7.246 11.425 12.319 753 HB3 TYR 91 HB3 TYR 91 6.164 12.596 13.061 754 HD1 TYR 91 HD1 TYR 91 7.698 9.334 13.364 755 HD2 TYR 91 HD2 TYR 91 4.644 11.861 14.915 756 HE1 TYR 91 HE1 TYR 91 7.560 7.931 15.377 757 HE2 TYR 91 HE2 TYR 91 4.501 10.461 16.931 758 HH TYR 91 HH TYR 91 6.821 8.221 17.779 759 H CYS 92 H CYS 92 5.832 11.154 9.261 760 HA CYS 92 HA CYS 92 6.165 8.229 9.256 761 HB2 CYS 92 HB2 CYS 92 5.664 8.405 6.793 762 HB3 CYS 92 HB3 CYS 92 4.315 8.816 7.846 763 HG CYS 92 HG CYS 92 6.337 11.168 6.408 764 HA PRO 93 HA PRO 93 10.263 9.882 8.295 765 HB2 PRO 93 HB2 PRO 93 11.613 8.368 10.090 766 HB3 PRO 93 HB3 PRO 93 10.729 9.829 10.523 767 HG2 PRO 93 HG2 PRO 93 10.105 7.054 11.159 768 HG3 PRO 93 HG3 PRO 93 9.416 8.534 11.839 769 HD2 PRO 93 HD2 PRO 93 8.353 6.794 9.748 770 HD3 PRO 93 HD3 PRO 93 7.542 8.095 10.644 771 H ASN 94 H ASN 94 11.052 6.680 9.401 772 HA ASN 94 HA ASN 94 11.992 6.040 6.686 773 HB2 ASN 94 HB2 ASN 94 13.223 5.407 9.376 774 HB3 ASN 94 HB3 ASN 94 13.758 4.674 7.868 775 HD21 ASN 94 HD21 ASN 94 15.117 6.428 9.807 776 HD22 ASN 94 HD22 ASN 94 15.712 7.763 8.866 777 H GLY 95 H GLY 95 11.130 4.310 5.799 778 HA2 GLY 95 HA2 GLY 95 10.416 2.024 5.827 779 HA3 GLY 95 HA3 GLY 95 10.030 2.197 7.536 780 H SER 96 H SER 96 8.984 4.966 6.420 781 HA SER 96 HA SER 96 6.246 4.058 6.173 782 HB2 SER 96 HB2 SER 96 7.390 6.858 6.101 783 HB3 SER 96 HB3 SER 96 5.687 6.430 6.266 784 HG SER 96 HG SER 96 7.293 5.204 8.121 785 H SER 97 H SER 97 5.416 3.538 4.278 786 HA SER 97 HA SER 97 6.619 4.528 1.831 787 HB2 SER 97 HB2 SER 97 4.392 2.517 2.248 788 HB3 SER 97 HB3 SER 97 5.227 2.841 0.729 789 HG SER 97 HG SER 97 5.989 0.980 1.991 790 HA PRO 98 HA PRO 98 3.895 7.724 0.788 791 HB2 PRO 98 HB2 PRO 98 2.925 7.029 -1.704 792 HB3 PRO 98 HB3 PRO 98 4.498 7.769 -1.394 793 HG2 PRO 98 HG2 PRO 98 3.805 4.891 -1.818 794 HG3 PRO 98 HG3 PRO 98 5.185 5.814 -2.441 795 HD2 PRO 98 HD2 PRO 98 5.471 4.160 -0.372 796 HD3 PRO 98 HD3 PRO 98 6.321 5.721 -0.413 797 H GLU 99 H GLU 99 2.353 4.582 0.061 798 HA GLU 99 HA GLU 99 -0.263 5.759 0.020 799 HB2 GLU 99 HB2 GLU 99 -1.128 3.553 -0.350 800 HB3 GLU 99 HB3 GLU 99 0.309 3.753 -1.332 801 HG2 GLU 99 HG2 GLU 99 0.111 2.223 1.254 802 HG3 GLU 99 HG3 GLU 99 0.232 1.538 -0.366 803 H LEU 100 H LEU 100 1.701 4.097 2.413 804 HA LEU 100 HA LEU 100 -0.311 3.745 4.361 805 HB2 LEU 100 HB2 LEU 100 2.619 4.307 4.807 806 HB3 LEU 100 HB3 LEU 100 1.511 3.657 5.994 807 HG LEU 100 HG LEU 100 2.355 2.270 3.448 808 HD11 LEU 100 HD11 LEU 100 3.100 1.757 6.323 809 HD12 LEU 100 HD12 LEU 100 4.162 2.394 5.068 810 HD13 LEU 100 HD13 LEU 100 3.545 0.746 4.949 811 HD21 LEU 100 HD21 LEU 100 1.191 0.331 4.373 812 HD22 LEU 100 HD22 LEU 100 0.082 1.679 4.116 813 HD23 LEU 100 HD23 LEU 100 0.650 1.303 5.742 814 H GLN 101 H GLN 101 1.664 6.488 3.449 815 HA GLN 101 HA GLN 101 1.037 8.206 5.585 816 HB2 GLN 101 HB2 GLN 101 1.575 8.888 2.687 817 HB3 GLN 101 HB3 GLN 101 1.599 10.033 4.021 818 HG2 GLN 101 HG2 GLN 101 3.510 9.036 4.971 819 HG3 GLN 101 HG3 GLN 101 3.378 7.628 3.923 820 HE21 GLN 101 HE21 GLN 101 5.454 7.862 3.111 821 HE22 GLN 101 HE22 GLN 101 5.892 9.133 2.024 822 H MET 102 H MET 102 -0.524 7.662 2.458 823 HA MET 102 HA MET 102 -2.669 9.482 2.955 824 HB2 MET 102 HB2 MET 102 -2.326 7.282 0.913 825 HB3 MET 102 HB3 MET 102 -3.696 8.383 0.941 826 HG2 MET 102 HG2 MET 102 -0.807 9.143 0.571 827 HG3 MET 102 HG3 MET 102 -2.046 9.092 -0.683 828 HE1 MET 102 HE1 MET 102 -1.432 11.586 -1.387 829 HE2 MET 102 HE2 MET 102 -0.192 11.621 -0.133 830 HE3 MET 102 HE3 MET 102 -1.369 12.929 -0.247 831 H LEU 103 H LEU 103 -2.037 6.186 3.696 832 HA LEU 103 HA LEU 103 -4.686 5.321 4.192 833 HB2 LEU 103 HB2 LEU 103 -2.986 3.684 3.905 834 HB3 LEU 103 HB3 LEU 103 -1.987 4.397 5.154 835 HG LEU 103 HG LEU 103 -3.614 3.676 6.852 836 HD11 LEU 103 HD11 LEU 103 -5.632 3.649 5.495 837 HD12 LEU 103 HD12 LEU 103 -5.368 2.072 6.239 838 HD13 LEU 103 HD13 LEU 103 -4.988 2.319 4.534 839 HD21 LEU 103 HD21 LEU 103 -2.575 1.505 5.043 840 HD22 LEU 103 HD22 LEU 103 -3.108 1.275 6.708 841 HD23 LEU 103 HD23 LEU 103 -1.703 2.284 6.362 842 H TYR 104 H TYR 104 -2.116 6.345 6.441 843 HA TYR 104 HA TYR 104 -3.880 6.414 8.671 844 HB2 TYR 104 HB2 TYR 104 -1.084 7.436 8.242 845 HB3 TYR 104 HB3 TYR 104 -1.943 7.671 9.760 846 HD1 TYR 104 HD1 TYR 104 -2.388 5.814 11.241 847 HD2 TYR 104 HD2 TYR 104 -0.354 5.210 7.552 848 HE1 TYR 104 HE1 TYR 104 -1.683 3.589 12.000 849 HE2 TYR 104 HE2 TYR 104 0.358 2.980 8.303 850 HH TYR 104 HH TYR 104 -0.998 1.401 10.891 851 H ALA 105 H ALA 105 -2.531 8.940 6.550 852 HA ALA 105 HA ALA 105 -3.870 11.080 7.858 853 HB1 ALA 105 HB1 ALA 105 -3.410 12.380 5.844 854 HB2 ALA 105 HB2 ALA 105 -2.957 10.905 4.987 855 HB3 ALA 105 HB3 ALA 105 -1.988 11.468 6.349 856 H GLY 106 H GLY 106 -4.938 8.563 5.850 857 HA2 GLY 106 HA2 GLY 106 -7.153 9.808 4.598 858 HA3 GLY 106 HA3 GLY 106 -6.941 8.082 4.844 859 H SER 107 H SER 107 -6.853 8.055 7.681 860 HA SER 107 HA SER 107 -9.691 8.584 8.165 861 HB2 SER 107 HB2 SER 107 -7.805 6.804 9.702 862 HB3 SER 107 HB3 SER 107 -9.537 6.965 9.988 863 HG SER 107 HG SER 107 -8.584 6.248 7.436 864 H ARG 108 H ARG 108 -6.862 10.157 8.737 865 HA ARG 108 HA ARG 108 -7.184 10.757 11.500 866 HB2 ARG 108 HB2 ARG 108 -5.424 12.370 11.266 867 HB3 ARG 108 HB3 ARG 108 -4.991 10.919 10.385 868 HG2 ARG 108 HG2 ARG 108 -4.321 12.505 8.902 869 HG3 ARG 108 HG3 ARG 108 -5.976 12.261 8.346 870 HD2 ARG 108 HD2 ARG 108 -6.718 14.260 9.309 871 HD3 ARG 108 HD3 ARG 108 -5.314 14.374 10.372 872 HE ARG 108 HE ARG 108 -4.059 14.678 8.129 873 HH11 ARG 108 HH11 ARG 108 -7.278 15.899 8.816 874 HH12 ARG 108 HH12 ARG 108 -7.112 17.275 7.769 875 HH21 ARG 108 HH21 ARG 108 -3.857 16.498 6.744 876 HH22 ARG 108 HH22 ARG 108 -5.191 17.608 6.605 877 H ASN 109 H ASN 109 -8.693 11.999 8.673 878 HA ASN 109 HA ASN 109 -9.507 14.456 9.954 879 HB2 ASN 109 HB2 ASN 109 -10.884 14.863 7.993 880 HB3 ASN 109 HB3 ASN 109 -9.274 14.365 7.493 881 HD21 ASN 109 HD21 ASN 109 -9.034 12.563 6.287 882 HD22 ASN 109 HD22 ASN 109 -10.348 11.570 5.752 883 H PHE 110 H PHE 110 -10.646 11.200 9.751 884 HA PHE 110 HA PHE 110 -13.362 11.785 10.452 885 HB2 PHE 110 HB2 PHE 110 -11.791 9.204 10.474 886 HB3 PHE 110 HB3 PHE 110 -13.504 9.310 10.863 887 HD1 PHE 110 HD1 PHE 110 -15.106 10.095 9.105 888 HD2 PHE 110 HD2 PHE 110 -11.048 9.141 8.242 889 HE1 PHE 110 HE1 PHE 110 -15.667 9.883 6.719 890 HE2 PHE 110 HE2 PHE 110 -11.603 8.929 5.855 891 HZ PHE 110 HZ PHE 110 -13.915 9.300 5.091 892 H ILE 111 H ILE 111 -10.417 11.014 12.183 893 HA ILE 111 HA ILE 111 -11.745 10.552 14.678 894 HB ILE 111 HB ILE 111 -9.585 9.504 14.155 895 HG12 ILE 111 HG12 ILE 111 -10.432 10.185 16.556 896 HG13 ILE 111 HG13 ILE 111 -8.850 9.471 16.325 897 HG21 ILE 111 HG21 ILE 111 -8.433 12.274 14.408 898 HG22 ILE 111 HG22 ILE 111 -8.525 11.305 12.938 899 HG23 ILE 111 HG23 ILE 111 -7.503 10.782 14.277 900 HD11 ILE 111 HD11 ILE 111 -9.428 12.400 16.671 901 HD12 ILE 111 HD12 ILE 111 -7.833 11.689 16.436 902 HD13 ILE 111 HD13 ILE 111 -8.758 11.315 17.891 903 H VAL 112 H VAL 112 -10.276 13.326 13.102 904 HA VAL 112 HA VAL 112 -10.279 15.112 15.262 905 HB VAL 112 HB VAL 112 -10.753 15.679 12.325 906 HG11 VAL 112 HG11 VAL 112 -10.086 17.592 14.559 907 HG12 VAL 112 HG12 VAL 112 -11.603 17.519 13.664 908 HG13 VAL 112 HG13 VAL 112 -10.116 17.992 12.842 909 HG21 VAL 112 HG21 VAL 112 -8.264 15.884 14.014 910 HG22 VAL 112 HG22 VAL 112 -8.400 16.344 12.316 911 HG23 VAL 112 HG23 VAL 112 -8.593 14.656 12.791 912 H ASN 113 H ASN 113 -12.807 13.867 13.260 913 HA ASN 113 HA ASN 113 -14.767 15.846 14.065 914 HB2 ASN 113 HB2 ASN 113 -14.836 14.919 11.798 915 HB3 ASN 113 HB3 ASN 113 -15.041 13.297 12.445 916 HD21 ASN 113 HD21 ASN 113 -17.035 12.632 13.119 917 HD22 ASN 113 HD22 ASN 113 -18.473 13.574 12.900 918 H GLU 114 H GLU 114 -13.541 12.907 15.208 919 HA GLU 114 HA GLU 114 -15.891 12.010 16.579 920 HB2 GLU 114 HB2 GLU 114 -13.178 11.051 16.143 921 HB3 GLU 114 HB3 GLU 114 -13.721 10.779 17.792 922 HG2 GLU 114 HG2 GLU 114 -15.142 9.879 15.298 923 HG3 GLU 114 HG3 GLU 114 -14.178 8.861 16.369 924 H CYS 115 H CYS 115 -12.944 13.741 17.485 925 HA CYS 115 HA CYS 115 -14.063 13.998 20.200 926 HB2 CYS 115 HB2 CYS 115 -11.158 13.818 19.388 927 HB3 CYS 115 HB3 CYS 115 -11.753 13.998 21.032 928 HG CYS 115 HG CYS 115 -10.841 11.301 19.981 929 H HIS 116 H HIS 116 -14.026 15.836 17.686 930 HA HIS 116 HA HIS 116 -13.621 18.026 17.141 931 HB2 HIS 116 HB2 HIS 116 -14.131 18.163 20.100 932 HB3 HIS 116 HB3 HIS 116 -13.717 19.617 19.203 933 HD1 HIS 116 HD1 HIS 116 -15.418 19.538 16.784 934 HD2 HIS 116 HD2 HIS 116 -16.782 18.186 20.470 935 HE1 HIS 116 HE1 HIS 116 -17.918 19.711 16.682 936 HE2 HIS 116 HE2 HIS 116 -18.686 19.169 19.017 937 H VAL 117 H VAL 117 -11.346 16.741 16.989 938 HA VAL 117 HA VAL 117 -9.289 17.351 18.771 939 HB VAL 117 HB VAL 117 -9.089 16.839 15.797 940 HG11 VAL 117 HG11 VAL 117 -6.937 16.718 17.905 941 HG12 VAL 117 HG12 VAL 117 -7.091 17.965 16.669 942 HG13 VAL 117 HG13 VAL 117 -6.755 16.299 16.201 943 HG21 VAL 117 HG21 VAL 117 -8.770 15.010 18.171 944 HG22 VAL 117 HG22 VAL 117 -8.486 14.568 16.488 945 HG23 VAL 117 HG23 VAL 117 -10.109 15.006 17.023 946 H SER 118 H SER 118 -8.208 19.122 19.224 947 HA SER 118 HA SER 118 -9.069 21.602 18.182 948 HB2 SER 118 HB2 SER 118 -6.610 21.123 19.863 949 HB3 SER 118 HB3 SER 118 -7.611 22.575 19.794 950 HG SER 118 HG SER 118 -9.332 21.267 20.664 951 H LYS 119 H LYS 119 -6.368 19.510 17.500 952 HA LYS 119 HA LYS 119 -5.597 20.945 15.178 953 HB2 LYS 119 HB2 LYS 119 -3.199 21.347 16.194 954 HB3 LYS 119 HB3 LYS 119 -4.472 22.543 16.394 955 HG2 LYS 119 HG2 LYS 119 -4.954 21.673 18.622 956 HG3 LYS 119 HG3 LYS 119 -3.699 20.452 18.418 957 HD2 LYS 119 HD2 LYS 119 -3.162 23.408 18.262 958 HD3 LYS 119 HD3 LYS 119 -3.043 22.480 19.758 959 HE2 LYS 119 HE2 LYS 119 -1.369 21.038 18.746 960 HE3 LYS 119 HE3 LYS 119 -1.502 21.925 17.230 961 HZ1 LYS 119 HZ1 LYS 119 -0.630 23.085 19.826 962 HZ2 LYS 119 HZ2 LYS 119 -0.695 23.897 18.338 963 HZ3 LYS 119 HZ3 LYS 119 0.398 22.630 18.560 964 H ASN 120 H ASN 120 -3.873 19.915 14.023 965 HA ASN 120 HA ASN 120 -2.881 17.409 15.174 966 HB2 ASN 120 HB2 ASN 120 -3.194 16.244 13.049 967 HB3 ASN 120 HB3 ASN 120 -4.737 16.845 13.643 968 HD21 ASN 120 HD21 ASN 120 -2.314 17.097 11.188 969 HD22 ASN 120 HD22 ASN 120 -3.189 18.149 10.131 970 H THR 121 H THR 121 -0.996 16.573 13.789 971 HA THR 121 HA THR 121 0.446 18.616 12.332 972 HB THR 121 HB THR 121 1.610 17.484 14.885 973 HG1 THR 121 HG1 THR 121 0.079 19.677 14.399 974 HG21 THR 121 HG21 THR 121 2.717 19.512 12.944 975 HG22 THR 121 HG22 THR 121 3.306 17.865 13.171 976 HG23 THR 121 HG23 THR 121 3.455 19.045 14.474 977 H GLU 122 H GLU 122 2.001 17.749 10.956 978 HA GLU 122 HA GLU 122 2.714 14.942 11.310 979 HB2 GLU 122 HB2 GLU 122 2.326 14.448 8.923 980 HB3 GLU 122 HB3 GLU 122 0.845 14.823 9.785 981 HG2 GLU 122 HG2 GLU 122 2.312 16.864 8.145 982 HG3 GLU 122 HG3 GLU 122 1.109 15.778 7.455 983 H ILE 123 H ILE 123 4.764 14.484 10.826 984 HA ILE 123 HA ILE 123 6.289 16.278 9.099 985 HB ILE 123 HB ILE 123 8.241 15.960 10.828 986 HG12 ILE 123 HG12 ILE 123 5.798 15.897 12.610 987 HG13 ILE 123 HG13 ILE 123 7.014 14.632 12.455 988 HG21 ILE 123 HG21 ILE 123 7.505 18.095 10.034 989 HG22 ILE 123 HG22 ILE 123 7.714 18.166 11.784 990 HG23 ILE 123 HG23 ILE 123 6.095 18.049 11.094 991 HD11 ILE 123 HD11 ILE 123 7.483 17.401 13.556 992 HD12 ILE 123 HD12 ILE 123 8.692 16.124 13.416 993 HD13 ILE 123 HD13 ILE 123 7.316 15.921 14.500 994 H ARG 124 H ARG 124 8.334 15.355 8.391 995 HA ARG 124 HA ARG 124 8.136 12.421 8.286 996 HB2 ARG 124 HB2 ARG 124 7.969 13.682 6.131 997 HB3 ARG 124 HB3 ARG 124 9.602 14.276 6.396 998 HG2 ARG 124 HG2 ARG 124 10.339 11.863 6.464 999 HG3 ARG 124 HG3 ARG 124 8.724 11.448 5.890 1000 HD2 ARG 124 HD2 ARG 124 9.113 12.988 3.962 1001 HD3 ARG 124 HD3 ARG 124 10.785 13.145 4.499 1002 HE ARG 124 HE ARG 124 9.579 10.888 3.165 1003 HH11 ARG 124 HH11 ARG 124 12.242 11.981 5.176 1004 HH12 ARG 124 HH12 ARG 124 13.250 10.618 4.786 1005 HH21 ARG 124 HH21 ARG 124 10.948 9.121 2.629 1006 HH22 ARG 124 HH22 ARG 124 12.521 9.012 3.361 1007 H ASP 125 H ASP 125 9.218 12.672 10.510 1008 HA ASP 125 HA ASP 125 11.857 11.766 10.284 1009 HB2 ASP 125 HB2 ASP 125 12.228 14.230 9.836 1010 HB3 ASP 125 HB3 ASP 125 11.727 14.523 11.499 1011 H ILE 126 H ILE 126 12.819 11.223 12.321 1012 HA ILE 126 HA ILE 126 10.867 10.957 14.496 1013 HB ILE 126 HB ILE 126 13.502 9.574 13.957 1014 HG12 ILE 126 HG12 ILE 126 11.504 8.793 12.697 1015 HG13 ILE 126 HG13 ILE 126 12.179 7.563 13.761 1016 HG21 ILE 126 HG21 ILE 126 11.737 9.312 16.386 1017 HG22 ILE 126 HG22 ILE 126 13.381 9.949 16.337 1018 HG23 ILE 126 HG23 ILE 126 13.084 8.244 15.992 1019 HD11 ILE 126 HD11 ILE 126 9.744 9.247 14.308 1020 HD12 ILE 126 HD12 ILE 126 10.425 8.043 15.403 1021 HD13 ILE 126 HD13 ILE 126 9.764 7.545 13.845 1022 H ASP 127 H ASP 127 14.010 12.305 13.722 1023 HA ASP 127 HA ASP 127 14.865 12.562 16.432 1024 HB2 ASP 127 HB2 ASP 127 16.550 12.170 14.834 1025 HB3 ASP 127 HB3 ASP 127 15.978 13.465 13.789 1026 H GLU 128 H GLU 128 13.606 14.831 14.017 1027 HA GLU 128 HA GLU 128 14.231 17.128 15.615 1028 HB2 GLU 128 HB2 GLU 128 13.041 18.408 13.903 1029 HB3 GLU 128 HB3 GLU 128 14.192 17.288 13.192 1030 HG2 GLU 128 HG2 GLU 128 12.350 15.742 12.691 1031 HG3 GLU 128 HG3 GLU 128 11.211 16.913 13.354 1032 H ILE 129 H ILE 129 12.285 14.984 16.644 1033 HA ILE 129 HA ILE 129 10.038 16.788 17.252 1034 HB ILE 129 HB ILE 129 10.125 13.815 17.773 1035 HG12 ILE 129 HG12 ILE 129 8.880 15.247 15.417 1036 HG13 ILE 129 HG13 ILE 129 10.349 14.279 15.348 1037 HG21 ILE 129 HG21 ILE 129 7.690 14.065 17.923 1038 HG22 ILE 129 HG22 ILE 129 7.855 15.798 17.640 1039 HG23 ILE 129 HG23 ILE 129 8.523 15.077 19.104 1040 HD11 ILE 129 HD11 ILE 129 7.610 13.271 16.073 1041 HD12 ILE 129 HD12 ILE 129 9.080 12.302 15.990 1042 HD13 ILE 129 HD13 ILE 129 8.427 13.041 14.528 1043 H ASP 130 H ASP 130 10.214 17.789 19.128 1044 HA ASP 130 HA ASP 130 10.469 16.389 21.565 1045 HB2 ASP 130 HB2 ASP 130 12.534 17.272 22.437 1046 HB3 ASP 130 HB3 ASP 130 12.884 16.463 20.917 1047 H ASP 131 H ASP 131 11.361 18.604 23.144 1048 HA ASP 131 HA ASP 131 8.887 19.909 23.465 1049 HB2 ASP 131 HB2 ASP 131 10.425 19.549 25.321 1050 HB3 ASP 131 HB3 ASP 131 11.611 20.613 24.576 1051 H GLU 132 H GLU 132 11.583 20.615 21.470 1052 HA GLU 132 HA GLU 132 11.622 23.364 21.330 1053 HB2 GLU 132 HB2 GLU 132 12.779 23.143 19.276 1054 HB3 GLU 132 HB3 GLU 132 13.199 21.732 20.232 1055 HG2 GLU 132 HG2 GLU 132 12.813 20.682 18.267 1056 HG3 GLU 132 HG3 GLU 132 11.155 20.705 18.860 1057 H LEU 133 H LEU 133 9.316 21.175 19.795 1058 HA LEU 133 HA LEU 133 8.282 23.280 18.130 1059 HB2 LEU 133 HB2 LEU 133 6.428 21.514 17.704 1060 HB3 LEU 133 HB3 LEU 133 8.012 21.323 17.002 1061 HG LEU 133 HG LEU 133 8.485 19.834 19.089 1062 HD11 LEU 133 HD11 LEU 133 5.474 19.790 19.007 1063 HD12 LEU 133 HD12 LEU 133 6.476 20.401 20.324 1064 HD13 LEU 133 HD13 LEU 133 6.494 18.683 19.926 1065 HD21 LEU 133 HD21 LEU 133 7.646 17.884 17.900 1066 HD22 LEU 133 HD22 LEU 133 8.395 19.030 16.789 1067 HD23 LEU 133 HD23 LEU 133 6.638 18.922 16.892 1068 H LEU 134 H LEU 134 7.572 22.110 21.301 1069 HA LEU 134 HA LEU 134 4.803 22.635 21.330 1070 HB2 LEU 134 HB2 LEU 134 6.796 22.637 23.584 1071 HB3 LEU 134 HB3 LEU 134 5.061 22.754 23.801 1072 HG LEU 134 HG LEU 134 6.507 20.412 22.559 1073 HD11 LEU 134 HD11 LEU 134 5.850 19.223 24.596 1074 HD12 LEU 134 HD12 LEU 134 5.180 20.718 25.250 1075 HD13 LEU 134 HD13 LEU 134 6.914 20.583 24.955 1076 HD21 LEU 134 HD21 LEU 134 4.291 20.700 21.614 1077 HD22 LEU 134 HD22 LEU 134 3.596 20.828 23.229 1078 HD23 LEU 134 HD23 LEU 134 4.313 19.308 22.696 1079 H GLU 135 H GLU 135 7.580 24.705 21.937 1080 HA GLU 135 HA GLU 135 6.152 26.932 22.950 1081 HB2 GLU 135 HB2 GLU 135 8.737 27.022 21.391 1082 HB3 GLU 135 HB3 GLU 135 8.173 28.175 22.593 1083 HG2 GLU 135 HG2 GLU 135 8.415 26.513 24.338 1084 HG3 GLU 135 HG3 GLU 135 8.908 25.310 23.148 1085 H SER 136 H SER 136 6.758 25.717 19.780 1086 HA SER 136 HA SER 136 5.775 28.088 18.427 1087 HB2 SER 136 HB2 SER 136 7.465 27.134 17.157 1088 HB3 SER 136 HB3 SER 136 7.026 25.491 17.615 1089 HG SER 136 HG SER 136 6.285 26.928 15.442 1090 H LYS 137 H LYS 137 4.683 24.937 19.424 1091 HA LYS 137 HA LYS 137 2.458 24.973 17.593 1092 HB2 LYS 137 HB2 LYS 137 3.306 22.902 19.607 1093 HB3 LYS 137 HB3 LYS 137 1.970 22.715 18.480 1094 HG2 LYS 137 HG2 LYS 137 4.895 22.986 17.820 1095 HG3 LYS 137 HG3 LYS 137 3.864 21.574 17.586 1096 HD2 LYS 137 HD2 LYS 137 2.601 22.703 15.885 1097 HD3 LYS 137 HD3 LYS 137 3.431 24.224 16.215 1098 HE2 LYS 137 HE2 LYS 137 4.781 21.723 15.203 1099 HE3 LYS 137 HE3 LYS 137 4.241 23.047 14.173 1100 HZ1 LYS 137 HZ1 LYS 137 6.602 23.213 14.689 1101 HZ2 LYS 137 HZ2 LYS 137 6.261 23.269 16.343 1102 HZ3 LYS 137 HZ3 LYS 137 5.755 24.531 15.340 1103 H PHE 138 H PHE 138 2.811 24.623 21.127 1104 HA PHE 138 HA PHE 138 1.236 24.621 22.784 1105 HB2 PHE 138 HB2 PHE 138 1.076 27.277 21.430 1106 HB3 PHE 138 HB3 PHE 138 -0.061 26.916 22.725 1107 HD1 PHE 138 HD1 PHE 138 0.925 26.124 24.957 1108 HD2 PHE 138 HD2 PHE 138 3.206 28.052 21.925 1109 HE1 PHE 138 HE1 PHE 138 2.617 26.745 26.629 1110 HE2 PHE 138 HE2 PHE 138 4.902 28.677 23.594 1111 HZ PHE 138 HZ PHE 138 4.608 28.024 25.950 Start of MODEL 10 1 H MET 1 H MET 1 4.659 -0.902 -0.324 2 HA MET 1 HA MET 1 3.676 0.043 -2.349 3 HB2 MET 1 HB2 MET 1 4.844 -1.452 -3.923 4 HB3 MET 1 HB3 MET 1 5.808 -1.105 -2.498 5 HG2 MET 1 HG2 MET 1 5.248 -3.290 -1.582 6 HG3 MET 1 HG3 MET 1 4.258 -3.636 -3.001 7 HE1 MET 1 HE1 MET 1 7.329 -6.004 -3.559 8 HE2 MET 1 HE2 MET 1 5.571 -5.889 -3.502 9 HE3 MET 1 HE3 MET 1 6.519 -5.613 -2.040 10 H THR 2 H THR 2 1.810 0.192 -3.322 11 HA THR 2 HA THR 2 -0.268 -0.261 -4.100 12 HB THR 2 HB THR 2 0.747 -3.043 -4.722 13 HG1 THR 2 HG1 THR 2 1.445 -2.047 -6.721 14 HG21 THR 2 HG21 THR 2 -0.781 -2.880 -6.624 15 HG22 THR 2 HG22 THR 2 -1.240 -1.250 -6.135 16 HG23 THR 2 HG23 THR 2 -1.658 -2.624 -5.113 17 H SER 3 H SER 3 -0.023 -0.501 -1.366 18 HA SER 3 HA SER 3 -1.360 -2.869 -0.456 19 HB2 SER 3 HB2 SER 3 0.111 -1.542 1.029 20 HB3 SER 3 HB3 SER 3 -1.002 -0.181 0.907 21 HG SER 3 HG SER 3 -2.567 -1.403 1.953 22 H SER 4 H SER 4 -3.544 -3.096 0.094 23 HA SER 4 HA SER 4 -5.440 -1.613 -1.384 24 HB2 SER 4 HB2 SER 4 -5.918 -3.335 1.066 25 HB3 SER 4 HB3 SER 4 -7.114 -2.884 -0.152 26 HG SER 4 HG SER 4 -5.293 -3.935 -1.577 27 H LEU 5 H LEU 5 -6.797 0.071 -0.773 28 HA LEU 5 HA LEU 5 -6.208 1.321 1.816 29 HB2 LEU 5 HB2 LEU 5 -4.965 2.135 -0.443 30 HB3 LEU 5 HB3 LEU 5 -6.411 3.121 -0.522 31 HG LEU 5 HG LEU 5 -4.520 3.069 1.835 32 HD11 LEU 5 HD11 LEU 5 -3.409 3.948 -0.142 33 HD12 LEU 5 HD12 LEU 5 -3.750 5.241 1.009 34 HD13 LEU 5 HD13 LEU 5 -4.758 5.048 -0.426 35 HD21 LEU 5 HD21 LEU 5 -6.792 3.744 2.416 36 HD22 LEU 5 HD22 LEU 5 -6.782 4.930 1.111 37 HD23 LEU 5 HD23 LEU 5 -5.692 5.122 2.484 38 H THR 6 H THR 6 -7.909 2.257 2.764 39 HA THR 6 HA THR 6 -10.221 3.166 1.350 40 HB THR 6 HB THR 6 -10.635 0.708 1.364 41 HG1 THR 6 HG1 THR 6 -12.369 2.351 1.659 42 HG21 THR 6 HG21 THR 6 -11.094 -0.426 3.492 43 HG22 THR 6 HG22 THR 6 -10.590 1.021 4.366 44 HG23 THR 6 HG23 THR 6 -9.421 0.125 3.394 45 H ILE 7 H ILE 7 -12.004 3.621 3.215 46 HA ILE 7 HA ILE 7 -10.547 5.103 5.244 47 HB ILE 7 HB ILE 7 -12.675 6.111 5.854 48 HG12 ILE 7 HG12 ILE 7 -14.578 5.484 4.046 49 HG13 ILE 7 HG13 ILE 7 -13.790 3.916 4.196 50 HG21 ILE 7 HG21 ILE 7 -13.137 7.282 3.760 51 HG22 ILE 7 HG22 ILE 7 -12.262 6.035 2.871 52 HG23 ILE 7 HG23 ILE 7 -11.406 7.067 4.016 53 HD11 ILE 7 HD11 ILE 7 -14.188 3.929 6.591 54 HD12 ILE 7 HD12 ILE 7 -15.698 4.142 5.704 55 HD13 ILE 7 HD13 ILE 7 -14.923 5.528 6.474 56 H CYS 8 H CYS 8 -10.770 4.806 7.459 57 HA CYS 8 HA CYS 8 -11.585 2.073 8.158 58 HB2 CYS 8 HB2 CYS 8 -9.562 3.879 9.495 59 HB3 CYS 8 HB3 CYS 8 -9.928 2.218 9.960 60 HG CYS 8 HG CYS 8 -8.761 3.007 6.849 61 H SER 9 H SER 9 -12.837 1.666 9.899 62 HA SER 9 HA SER 9 -14.254 3.958 11.046 63 HB2 SER 9 HB2 SER 9 -14.950 1.014 11.217 64 HB3 SER 9 HB3 SER 9 -15.990 2.376 11.636 65 HG SER 9 HG SER 9 -15.973 2.979 9.434 66 H ILE 10 H ILE 10 -14.672 3.983 13.359 67 HA ILE 10 HA ILE 10 -12.420 2.837 14.852 68 HB ILE 10 HB ILE 10 -14.299 5.033 15.733 69 HG12 ILE 10 HG12 ILE 10 -11.514 5.280 14.569 70 HG13 ILE 10 HG13 ILE 10 -13.002 5.702 13.730 71 HG21 ILE 10 HG21 ILE 10 -12.566 5.492 17.409 72 HG22 ILE 10 HG22 ILE 10 -11.643 4.111 16.816 73 HG23 ILE 10 HG23 ILE 10 -13.220 3.862 17.563 74 HD11 ILE 10 HD11 ILE 10 -13.443 7.434 15.395 75 HD12 ILE 10 HD12 ILE 10 -11.892 7.676 14.590 76 HD13 ILE 10 HD13 ILE 10 -11.944 7.013 16.224 77 HA PRO 11 HA PRO 11 -15.459 -0.038 16.582 78 HB2 PRO 11 HB2 PRO 11 -13.648 -1.097 18.384 79 HB3 PRO 11 HB3 PRO 11 -13.859 -1.672 16.727 80 HG2 PRO 11 HG2 PRO 11 -11.819 0.204 17.840 81 HG3 PRO 11 HG3 PRO 11 -11.612 -1.097 16.656 82 HD2 PRO 11 HD2 PRO 11 -11.732 1.469 15.895 83 HD3 PRO 11 HD3 PRO 11 -12.477 0.187 14.914 84 H ASP 12 H ASP 12 -16.830 0.393 18.194 85 HA ASP 12 HA ASP 12 -16.625 2.710 19.732 86 HB2 ASP 12 HB2 ASP 12 -18.736 1.453 19.171 87 HB3 ASP 12 HB3 ASP 12 -18.314 0.300 20.431 88 H GLY 13 H GLY 13 -15.621 -0.561 20.441 89 HA2 GLY 13 HA2 GLY 13 -15.218 -0.451 23.179 90 HA3 GLY 13 HA3 GLY 13 -14.235 -1.394 22.069 91 H VAL 14 H VAL 14 -12.707 0.259 20.709 92 HA VAL 14 HA VAL 14 -10.959 1.332 22.708 93 HB VAL 14 HB VAL 14 -9.437 1.887 20.921 94 HG11 VAL 14 HG11 VAL 14 -10.791 -0.766 20.485 95 HG12 VAL 14 HG12 VAL 14 -9.458 -0.422 21.587 96 HG13 VAL 14 HG13 VAL 14 -9.208 -0.328 19.843 97 HG21 VAL 14 HG21 VAL 14 -11.012 2.804 19.311 98 HG22 VAL 14 HG22 VAL 14 -11.674 1.194 19.022 99 HG23 VAL 14 HG23 VAL 14 -10.008 1.558 18.569 100 H LYS 15 H LYS 15 -13.398 2.565 20.611 101 HA LYS 15 HA LYS 15 -12.692 5.284 20.582 102 HB2 LYS 15 HB2 LYS 15 -14.249 4.729 18.977 103 HB3 LYS 15 HB3 LYS 15 -15.169 3.706 20.063 104 HG2 LYS 15 HG2 LYS 15 -15.174 6.617 20.610 105 HG3 LYS 15 HG3 LYS 15 -16.062 6.042 19.196 106 HD2 LYS 15 HD2 LYS 15 -17.155 4.355 20.724 107 HD3 LYS 15 HD3 LYS 15 -16.435 5.235 22.071 108 HE2 LYS 15 HE2 LYS 15 -17.652 7.212 21.529 109 HE3 LYS 15 HE3 LYS 15 -18.215 6.513 20.009 110 HZ1 LYS 15 HZ1 LYS 15 -19.926 6.453 21.728 111 HZ2 LYS 15 HZ2 LYS 15 -18.918 5.508 22.717 112 HZ3 LYS 15 HZ3 LYS 15 -19.482 4.883 21.247 113 H GLU 16 H GLU 16 -14.536 3.358 22.904 114 HA GLU 16 HA GLU 16 -15.435 5.558 24.445 115 HB2 GLU 16 HB2 GLU 16 -16.400 3.275 24.619 116 HB3 GLU 16 HB3 GLU 16 -14.922 2.742 25.414 117 HG2 GLU 16 HG2 GLU 16 -15.304 4.242 27.249 118 HG3 GLU 16 HG3 GLU 16 -16.701 4.942 26.435 119 H ASP 17 H ASP 17 -12.572 3.474 24.729 120 HA ASP 17 HA ASP 17 -11.536 4.787 27.010 121 HB2 ASP 17 HB2 ASP 17 -10.413 2.927 24.967 122 HB3 ASP 17 HB3 ASP 17 -9.293 3.806 26.006 123 H LEU 18 H LEU 18 -11.384 5.474 23.599 124 HA LEU 18 HA LEU 18 -9.378 7.484 23.738 125 HB2 LEU 18 HB2 LEU 18 -10.070 6.406 21.634 126 HB3 LEU 18 HB3 LEU 18 -11.656 7.138 21.779 127 HG LEU 18 HG LEU 18 -10.634 9.372 21.540 128 HD11 LEU 18 HD11 LEU 18 -8.305 9.572 20.847 129 HD12 LEU 18 HD12 LEU 18 -8.086 7.836 21.058 130 HD13 LEU 18 HD13 LEU 18 -8.430 8.856 22.454 131 HD21 LEU 18 HD21 LEU 18 -11.497 8.238 19.576 132 HD22 LEU 18 HD22 LEU 18 -9.957 7.408 19.352 133 HD23 LEU 18 HD23 LEU 18 -10.050 9.160 19.161 134 H LYS 19 H LYS 19 -12.797 7.376 24.354 135 HA LYS 19 HA LYS 19 -13.139 10.223 24.601 136 HB2 LYS 19 HB2 LYS 19 -14.854 8.121 24.291 137 HB3 LYS 19 HB3 LYS 19 -15.025 8.433 26.008 138 HG2 LYS 19 HG2 LYS 19 -16.608 9.867 25.334 139 HG3 LYS 19 HG3 LYS 19 -15.241 10.940 25.029 140 HD2 LYS 19 HD2 LYS 19 -16.534 9.115 23.000 141 HD3 LYS 19 HD3 LYS 19 -16.783 10.856 23.118 142 HE2 LYS 19 HE2 LYS 19 -14.364 11.184 22.705 143 HE3 LYS 19 HE3 LYS 19 -14.195 9.442 22.493 144 HZ1 LYS 19 HZ1 LYS 19 -14.408 10.676 20.390 145 HZ2 LYS 19 HZ2 LYS 19 -15.962 11.168 20.844 146 HZ3 LYS 19 HZ3 LYS 19 -15.634 9.524 20.588 147 H LYS 20 H LYS 20 -12.551 7.480 26.715 148 HA LYS 20 HA LYS 20 -12.839 8.760 29.193 149 HB2 LYS 20 HB2 LYS 20 -10.964 6.488 28.504 150 HB3 LYS 20 HB3 LYS 20 -11.499 6.935 30.117 151 HG2 LYS 20 HG2 LYS 20 -13.252 5.895 27.899 152 HG3 LYS 20 HG3 LYS 20 -12.681 4.980 29.295 153 HD2 LYS 20 HD2 LYS 20 -13.912 6.437 30.786 154 HD3 LYS 20 HD3 LYS 20 -14.426 7.438 29.430 155 HE2 LYS 20 HE2 LYS 20 -16.196 5.904 30.122 156 HE3 LYS 20 HE3 LYS 20 -15.642 5.546 28.487 157 HZ1 LYS 20 HZ1 LYS 20 -15.874 3.499 29.636 158 HZ2 LYS 20 HZ2 LYS 20 -14.995 4.061 30.974 159 HZ3 LYS 20 HZ3 LYS 20 -14.207 3.787 29.498 160 H PHE 21 H PHE 21 -10.041 8.410 27.062 161 HA PHE 21 HA PHE 21 -8.051 9.426 28.619 162 HB2 PHE 21 HB2 PHE 21 -7.632 8.478 26.437 163 HB3 PHE 21 HB3 PHE 21 -8.530 9.776 25.656 164 HD1 PHE 21 HD1 PHE 21 -6.108 10.048 28.411 165 HD2 PHE 21 HD2 PHE 21 -6.885 10.768 24.304 166 HE1 PHE 21 HE1 PHE 21 -4.078 11.365 28.254 167 HE2 PHE 21 HE2 PHE 21 -4.838 12.104 24.136 168 HZ PHE 21 HZ PHE 21 -3.418 12.408 26.124 169 H ARG 22 H ARG 22 -10.390 11.293 26.676 170 HA ARG 22 HA ARG 22 -9.012 13.743 27.199 171 HB2 ARG 22 HB2 ARG 22 -10.826 14.844 26.000 172 HB3 ARG 22 HB3 ARG 22 -10.238 13.451 25.107 173 HG2 ARG 22 HG2 ARG 22 -12.166 12.157 25.825 174 HG3 ARG 22 HG3 ARG 22 -12.745 13.526 26.776 175 HD2 ARG 22 HD2 ARG 22 -12.411 13.426 23.779 176 HD3 ARG 22 HD3 ARG 22 -13.934 13.418 24.669 177 HE ARG 22 HE ARG 22 -12.234 15.693 25.180 178 HH11 ARG 22 HH11 ARG 22 -14.848 14.417 23.220 179 HH12 ARG 22 HH12 ARG 22 -15.418 15.986 22.740 180 HH21 ARG 22 HH21 ARG 22 -13.005 17.749 24.553 181 HH22 ARG 22 HH22 ARG 22 -14.383 17.872 23.506 182 H PHE 23 H PHE 23 -11.892 12.174 28.534 183 HA PHE 23 HA PHE 23 -12.455 14.506 30.174 184 HB2 PHE 23 HB2 PHE 23 -13.812 11.812 29.989 185 HB3 PHE 23 HB3 PHE 23 -14.341 13.112 31.052 186 HD1 PHE 23 HD1 PHE 23 -14.648 15.442 29.797 187 HD2 PHE 23 HD2 PHE 23 -14.870 11.609 27.965 188 HE1 PHE 23 HE1 PHE 23 -15.995 16.397 27.975 189 HE2 PHE 23 HE2 PHE 23 -16.218 12.559 26.137 190 HZ PHE 23 HZ PHE 23 -16.780 14.956 26.140 191 H SER 24 H SER 24 -10.885 11.429 30.499 192 HA SER 24 HA SER 24 -10.562 11.944 33.377 193 HB2 SER 24 HB2 SER 24 -11.947 9.911 32.762 194 HB3 SER 24 HB3 SER 24 -10.483 9.222 32.064 195 HG SER 24 HG SER 24 -9.880 10.083 34.506 196 H LYS 25 H LYS 25 -8.721 13.229 32.742 197 HA LYS 25 HA LYS 25 -6.355 11.535 32.742 198 HB2 LYS 25 HB2 LYS 25 -5.198 13.331 31.302 199 HB3 LYS 25 HB3 LYS 25 -6.236 12.169 30.501 200 HG2 LYS 25 HG2 LYS 25 -6.758 14.193 29.490 201 HG3 LYS 25 HG3 LYS 25 -8.059 13.951 30.651 202 HD2 LYS 25 HD2 LYS 25 -5.815 15.415 31.781 203 HD3 LYS 25 HD3 LYS 25 -6.507 16.220 30.372 204 HE2 LYS 25 HE2 LYS 25 -8.054 15.279 32.784 205 HE3 LYS 25 HE3 LYS 25 -7.555 16.941 32.479 206 HZ1 LYS 25 HZ1 LYS 25 -9.370 15.357 30.737 207 HZ2 LYS 25 HZ2 LYS 25 -8.922 16.968 30.502 208 HZ3 LYS 25 HZ3 LYS 25 -9.862 16.541 31.847 209 H SER 26 H SER 26 -4.384 12.878 33.408 210 HA SER 26 HA SER 26 -5.165 14.362 35.776 211 HB2 SER 26 HB2 SER 26 -3.404 12.621 35.911 212 HB3 SER 26 HB3 SER 26 -2.409 13.556 34.796 213 HG SER 26 HG SER 26 -3.243 14.283 37.417 214 H THR 27 H THR 27 -3.649 16.331 36.278 215 HA THR 27 HA THR 27 -4.059 18.225 34.147 216 HB THR 27 HB THR 27 -2.858 19.730 35.982 217 HG1 THR 27 HG1 THR 27 -3.126 18.926 38.034 218 HG21 THR 27 HG21 THR 27 -5.148 20.022 35.206 219 HG22 THR 27 HG22 THR 27 -5.070 20.156 36.962 220 HG23 THR 27 HG23 THR 27 -5.677 18.677 36.218 221 H THR 28 H THR 28 -1.944 16.054 34.085 222 HA THR 28 HA THR 28 0.355 17.741 33.393 223 HB THR 28 HB THR 28 1.446 15.414 33.053 224 HG1 THR 28 HG1 THR 28 -0.080 14.258 34.963 225 HG21 THR 28 HG21 THR 28 1.983 15.247 35.438 226 HG22 THR 28 HG22 THR 28 0.634 16.319 35.815 227 HG23 THR 28 HG23 THR 28 2.008 16.923 34.889 228 H MET 29 H MET 29 1.493 16.211 31.367 229 HA MET 29 HA MET 29 -0.595 16.393 29.320 230 HB2 MET 29 HB2 MET 29 1.421 16.220 27.712 231 HB3 MET 29 HB3 MET 29 1.114 17.729 28.548 232 HG2 MET 29 HG2 MET 29 2.847 17.152 30.189 233 HG3 MET 29 HG3 MET 29 3.180 15.675 29.284 234 HE1 MET 29 HE1 MET 29 5.729 16.811 29.546 235 HE2 MET 29 HE2 MET 29 5.096 18.359 30.106 236 HE3 MET 29 HE3 MET 29 6.180 18.300 28.717 237 H ASN 30 H ASN 30 -1.521 14.688 28.677 238 HA ASN 30 HA ASN 30 -0.177 12.059 28.962 239 HB2 ASN 30 HB2 ASN 30 -3.129 12.780 29.076 240 HB3 ASN 30 HB3 ASN 30 -2.509 11.140 29.092 241 HD21 ASN 30 HD21 ASN 30 -0.884 13.694 30.828 242 HD22 ASN 30 HD22 ASN 30 -1.335 13.171 32.411 243 H ALA 31 H ALA 31 -0.918 10.480 27.258 244 HA ALA 31 HA ALA 31 -1.725 11.724 24.762 245 HB1 ALA 31 HB1 ALA 31 0.949 10.357 25.038 246 HB2 ALA 31 HB2 ALA 31 0.696 12.093 24.848 247 HB3 ALA 31 HB3 ALA 31 0.246 10.987 23.550 248 H LEU 32 H LEU 32 -2.695 10.357 23.385 249 HA LEU 32 HA LEU 32 -2.477 7.470 23.915 250 HB2 LEU 32 HB2 LEU 32 -4.709 8.773 24.528 251 HB3 LEU 32 HB3 LEU 32 -4.997 8.639 22.807 252 HG LEU 32 HG LEU 32 -4.595 6.324 24.708 253 HD11 LEU 32 HD11 LEU 32 -6.972 5.873 24.226 254 HD12 LEU 32 HD12 LEU 32 -7.057 7.397 23.344 255 HD13 LEU 32 HD13 LEU 32 -6.717 7.397 25.075 256 HD21 LEU 32 HD21 LEU 32 -3.771 5.808 22.464 257 HD22 LEU 32 HD22 LEU 32 -5.314 6.319 21.779 258 HD23 LEU 32 HD23 LEU 32 -5.242 4.908 22.834 259 H ILE 33 H ILE 33 -1.257 6.796 22.246 260 HA ILE 33 HA ILE 33 -1.425 8.028 19.647 261 HB ILE 33 HB ILE 33 -0.013 5.463 20.419 262 HG12 ILE 33 HG12 ILE 33 0.977 8.319 20.332 263 HG13 ILE 33 HG13 ILE 33 0.874 7.279 21.747 264 HG21 ILE 33 HG21 ILE 33 1.339 5.895 18.400 265 HG22 ILE 33 HG22 ILE 33 0.299 7.267 18.017 266 HG23 ILE 33 HG23 ILE 33 -0.364 5.631 18.029 267 HD11 ILE 33 HD11 ILE 33 2.699 6.887 19.387 268 HD12 ILE 33 HD12 ILE 33 2.587 5.818 20.786 269 HD13 ILE 33 HD13 ILE 33 3.162 7.474 20.984 270 H LEU 34 H LEU 34 -2.461 7.241 17.852 271 HA LEU 34 HA LEU 34 -4.173 4.890 18.305 272 HB2 LEU 34 HB2 LEU 34 -4.694 7.310 16.580 273 HB3 LEU 34 HB3 LEU 34 -5.740 5.908 16.691 274 HG LEU 34 HG LEU 34 -5.085 7.733 19.004 275 HD11 LEU 34 HD11 LEU 34 -7.562 7.587 17.294 276 HD12 LEU 34 HD12 LEU 34 -6.383 8.900 17.303 277 HD13 LEU 34 HD13 LEU 34 -7.359 8.578 18.738 278 HD21 LEU 34 HD21 LEU 34 -6.939 6.576 20.109 279 HD22 LEU 34 HD22 LEU 34 -5.638 5.462 19.685 280 HD23 LEU 34 HD23 LEU 34 -7.107 5.516 18.710 281 H LYS 35 H LYS 35 -4.448 3.437 16.620 282 HA LYS 35 HA LYS 35 -2.469 3.631 14.457 283 HB2 LYS 35 HB2 LYS 35 -1.514 2.092 15.898 284 HB3 LYS 35 HB3 LYS 35 -3.063 1.480 16.438 285 HG2 LYS 35 HG2 LYS 35 -2.100 -0.251 15.207 286 HG3 LYS 35 HG3 LYS 35 -3.305 0.459 14.136 287 HD2 LYS 35 HD2 LYS 35 -1.608 1.639 12.916 288 HD3 LYS 35 HD3 LYS 35 -0.369 1.134 14.070 289 HE2 LYS 35 HE2 LYS 35 -0.851 -1.216 13.472 290 HE3 LYS 35 HE3 LYS 35 -1.959 -0.644 12.229 291 HZ1 LYS 35 HZ1 LYS 35 -0.096 0.513 11.174 292 HZ2 LYS 35 HZ2 LYS 35 0.183 -1.155 11.268 293 HZ3 LYS 35 HZ3 LYS 35 0.965 -0.108 12.339 294 H ILE 36 H ILE 36 -3.284 3.344 12.496 295 HA ILE 36 HA ILE 36 -6.020 2.354 12.185 296 HB ILE 36 HB ILE 36 -4.178 3.964 10.431 297 HG12 ILE 36 HG12 ILE 36 -7.081 4.446 11.086 298 HG13 ILE 36 HG13 ILE 36 -5.779 5.024 12.113 299 HG21 ILE 36 HG21 ILE 36 -5.068 2.232 8.989 300 HG22 ILE 36 HG22 ILE 36 -5.792 3.792 8.600 301 HG23 ILE 36 HG23 ILE 36 -6.705 2.601 9.526 302 HD11 ILE 36 HD11 ILE 36 -4.886 6.317 10.252 303 HD12 ILE 36 HD12 ILE 36 -6.548 6.768 10.634 304 HD13 ILE 36 HD13 ILE 36 -6.210 5.749 9.236 305 H ASP 37 H ASP 37 -6.380 0.342 11.461 306 HA ASP 37 HA ASP 37 -4.129 -1.163 10.323 307 HB2 ASP 37 HB2 ASP 37 -5.301 -2.232 12.197 308 HB3 ASP 37 HB3 ASP 37 -6.823 -2.138 11.314 309 H ARG 38 H ARG 38 -4.179 -1.997 8.272 310 HA ARG 38 HA ARG 38 -6.052 -0.686 6.479 311 HB2 ARG 38 HB2 ARG 38 -4.578 -1.535 4.688 312 HB3 ARG 38 HB3 ARG 38 -3.688 -0.631 5.907 313 HG2 ARG 38 HG2 ARG 38 -2.957 -2.709 6.934 314 HG3 ARG 38 HG3 ARG 38 -3.867 -3.628 5.736 315 HD2 ARG 38 HD2 ARG 38 -2.466 -2.761 3.962 316 HD3 ARG 38 HD3 ARG 38 -1.601 -1.739 5.114 317 HE ARG 38 HE ARG 38 -1.361 -4.287 6.097 318 HH11 ARG 38 HH11 ARG 38 -0.542 -2.767 3.042 319 HH12 ARG 38 HH12 ARG 38 0.846 -3.788 2.785 320 HH21 ARG 38 HH21 ARG 38 0.434 -5.598 5.756 321 HH22 ARG 38 HH22 ARG 38 1.411 -5.390 4.334 322 H GLU 39 H GLU 39 -5.554 -3.831 7.828 323 HA GLU 39 HA GLU 39 -6.776 -5.256 5.642 324 HB2 GLU 39 HB2 GLU 39 -4.973 -6.050 7.377 325 HB3 GLU 39 HB3 GLU 39 -6.368 -6.412 8.379 326 HG2 GLU 39 HG2 GLU 39 -5.906 -7.517 5.617 327 HG3 GLU 39 HG3 GLU 39 -5.511 -8.350 7.117 328 H SER 40 H SER 40 -7.618 -4.668 9.048 329 HA SER 40 HA SER 40 -10.383 -5.462 8.550 330 HB2 SER 40 HB2 SER 40 -9.177 -4.422 11.124 331 HB3 SER 40 HB3 SER 40 -10.650 -5.371 10.931 332 HG SER 40 HG SER 40 -7.983 -6.233 10.454 333 H HIS 41 H HIS 41 -8.619 -2.829 8.029 334 HA HIS 41 HA HIS 41 -8.787 -0.577 8.186 335 HB2 HIS 41 HB2 HIS 41 -10.433 0.324 6.735 336 HB3 HIS 41 HB3 HIS 41 -9.961 -1.237 6.099 337 HD1 HIS 41 HD1 HIS 41 -12.818 0.776 6.547 338 HD2 HIS 41 HD2 HIS 41 -12.068 -3.295 6.941 339 HE1 HIS 41 HE1 HIS 41 -15.062 -0.344 6.394 340 HE2 HIS 41 HE2 HIS 41 -14.602 -2.783 6.821 341 H GLU 42 H GLU 42 -8.892 -0.975 10.580 342 HA GLU 42 HA GLU 42 -11.134 0.592 11.615 343 HB2 GLU 42 HB2 GLU 42 -11.160 -0.810 13.667 344 HB3 GLU 42 HB3 GLU 42 -11.673 -1.673 12.225 345 HG2 GLU 42 HG2 GLU 42 -9.481 -2.735 12.076 346 HG3 GLU 42 HG3 GLU 42 -8.957 -1.858 13.513 347 H LEU 43 H LEU 43 -10.658 1.888 13.396 348 HA LEU 43 HA LEU 43 -7.804 2.506 13.663 349 HB2 LEU 43 HB2 LEU 43 -9.511 4.253 12.985 350 HB3 LEU 43 HB3 LEU 43 -10.186 4.119 14.594 351 HG LEU 43 HG LEU 43 -7.308 4.892 14.161 352 HD11 LEU 43 HD11 LEU 43 -8.029 7.227 14.325 353 HD12 LEU 43 HD12 LEU 43 -9.714 6.705 14.291 354 HD13 LEU 43 HD13 LEU 43 -8.681 6.445 12.885 355 HD21 LEU 43 HD21 LEU 43 -7.968 4.213 16.425 356 HD22 LEU 43 HD22 LEU 43 -9.254 5.421 16.407 357 HD23 LEU 43 HD23 LEU 43 -7.565 5.928 16.351 358 H GLN 44 H GLN 44 -6.776 1.730 15.368 359 HA GLN 44 HA GLN 44 -8.344 0.973 17.752 360 HB2 GLN 44 HB2 GLN 44 -5.715 -0.213 16.861 361 HB3 GLN 44 HB3 GLN 44 -6.786 -0.808 18.125 362 HG2 GLN 44 HG2 GLN 44 -8.423 -1.473 16.523 363 HG3 GLN 44 HG3 GLN 44 -7.539 -0.684 15.219 364 HE21 GLN 44 HE21 GLN 44 -8.371 -3.458 15.466 365 HE22 GLN 44 HE22 GLN 44 -6.918 -4.407 15.373 366 H SER 45 H SER 45 -7.203 1.094 19.806 367 HA SER 45 HA SER 45 -5.586 3.461 20.037 368 HB2 SER 45 HB2 SER 45 -5.621 2.693 22.519 369 HB3 SER 45 HB3 SER 45 -7.132 3.228 21.784 370 HG SER 45 HG SER 45 -6.489 0.809 22.814 371 H GLU 46 H GLU 46 -3.468 3.451 19.764 372 HA GLU 46 HA GLU 46 -1.945 1.047 19.540 373 HB2 GLU 46 HB2 GLU 46 -1.686 3.648 18.648 374 HB3 GLU 46 HB3 GLU 46 -0.445 3.548 19.885 375 HG2 GLU 46 HG2 GLU 46 -0.698 1.597 17.615 376 HG3 GLU 46 HG3 GLU 46 0.310 3.041 17.561 377 H GLN 47 H GLN 47 -1.633 3.845 21.742 378 HA GLN 47 HA GLN 47 -1.408 2.224 24.062 379 HB2 GLN 47 HB2 GLN 47 0.927 2.673 24.632 380 HB3 GLN 47 HB3 GLN 47 0.814 1.762 23.134 381 HG2 GLN 47 HG2 GLN 47 1.108 3.900 21.894 382 HG3 GLN 47 HG3 GLN 47 1.405 4.694 23.439 383 HE21 GLN 47 HE21 GLN 47 2.630 2.523 21.037 384 HE22 GLN 47 HE22 GLN 47 4.249 2.444 21.652 385 H LEU 48 H LEU 48 -1.588 3.397 25.923 386 HA LEU 48 HA LEU 48 -1.757 6.326 25.607 387 HB2 LEU 48 HB2 LEU 48 -3.908 5.032 26.056 388 HB3 LEU 48 HB3 LEU 48 -3.248 4.643 27.628 389 HG LEU 48 HG LEU 48 -3.664 7.494 26.724 390 HD11 LEU 48 HD11 LEU 48 -5.770 7.458 27.950 391 HD12 LEU 48 HD12 LEU 48 -5.568 5.735 28.268 392 HD13 LEU 48 HD13 LEU 48 -5.800 6.306 26.615 393 HD21 LEU 48 HD21 LEU 48 -2.166 7.177 28.634 394 HD22 LEU 48 HD22 LEU 48 -3.411 6.241 29.460 395 HD23 LEU 48 HD23 LEU 48 -3.671 7.954 29.126 396 H LEU 49 H LEU 49 -0.428 7.511 26.854 397 HA LEU 49 HA LEU 49 0.627 6.316 29.306 398 HB2 LEU 49 HB2 LEU 49 2.867 6.967 28.894 399 HB3 LEU 49 HB3 LEU 49 2.319 6.059 27.513 400 HG LEU 49 HG LEU 49 2.455 9.065 27.544 401 HD11 LEU 49 HD11 LEU 49 4.678 8.115 27.908 402 HD12 LEU 49 HD12 LEU 49 4.541 8.819 26.297 403 HD13 LEU 49 HD13 LEU 49 4.466 7.069 26.502 404 HD21 LEU 49 HD21 LEU 49 2.263 7.076 25.281 405 HD22 LEU 49 HD22 LEU 49 2.377 8.829 25.119 406 HD23 LEU 49 HD23 LEU 49 0.952 8.103 25.864 407 H ASN 50 H ASN 50 1.268 7.791 30.900 408 HA ASN 50 HA ASN 50 0.154 10.494 30.523 409 HB2 ASN 50 HB2 ASN 50 -0.916 10.348 32.705 410 HB3 ASN 50 HB3 ASN 50 -1.484 9.041 31.675 411 HD21 ASN 50 HD21 ASN 50 0.262 9.886 34.524 412 HD22 ASN 50 HD22 ASN 50 0.503 8.274 35.114 413 H ASP 51 H ASP 51 0.990 12.109 31.956 414 HA ASP 51 HA ASP 51 2.431 13.153 33.371 415 HB2 ASP 51 HB2 ASP 51 1.826 11.132 34.829 416 HB3 ASP 51 HB3 ASP 51 3.373 10.454 34.335 417 H CYS 52 H CYS 52 3.233 11.668 30.743 418 HA CYS 52 HA CYS 52 6.136 11.863 31.053 419 HB2 CYS 52 HB2 CYS 52 4.505 10.737 28.765 420 HB3 CYS 52 HB3 CYS 52 6.258 10.665 28.921 421 HG CYS 52 HG CYS 52 4.099 9.161 31.121 422 H SER 53 H SER 53 7.206 12.730 28.944 423 HA SER 53 HA SER 53 5.821 15.227 28.229 424 HB2 SER 53 HB2 SER 53 8.794 14.680 28.416 425 HB3 SER 53 HB3 SER 53 8.068 16.210 27.919 426 HG SER 53 HG SER 53 8.132 14.995 30.454 427 H ILE 54 H ILE 54 6.987 16.145 26.107 428 HA ILE 54 HA ILE 54 5.972 14.558 24.030 429 HB ILE 54 HB ILE 54 6.094 16.961 23.816 430 HG12 ILE 54 HG12 ILE 54 7.235 17.128 21.570 431 HG13 ILE 54 HG13 ILE 54 7.783 15.476 21.801 432 HG21 ILE 54 HG21 ILE 54 8.128 17.351 25.075 433 HG22 ILE 54 HG22 ILE 54 8.210 18.129 23.495 434 HG23 ILE 54 HG23 ILE 54 9.083 16.624 23.784 435 HD11 ILE 54 HD11 ILE 54 4.918 16.380 21.683 436 HD12 ILE 54 HD12 ILE 54 5.470 14.721 21.913 437 HD13 ILE 54 HD13 ILE 54 5.808 15.561 20.400 438 H GLU 55 H GLU 55 9.267 14.955 25.237 439 HA GLU 55 HA GLU 55 10.565 13.647 23.110 440 HB2 GLU 55 HB2 GLU 55 11.297 14.356 25.907 441 HB3 GLU 55 HB3 GLU 55 12.306 13.200 25.046 442 HG2 GLU 55 HG2 GLU 55 12.932 14.741 23.441 443 HG3 GLU 55 HG3 GLU 55 11.575 15.807 23.787 444 H GLU 56 H GLU 56 8.881 12.448 25.916 445 HA GLU 56 HA GLU 56 9.814 9.769 25.617 446 HB2 GLU 56 HB2 GLU 56 7.408 10.902 27.040 447 HB3 GLU 56 HB3 GLU 56 7.765 9.180 26.995 448 HG2 GLU 56 HG2 GLU 56 8.780 9.678 28.943 449 HG3 GLU 56 HG3 GLU 56 10.119 10.052 27.862 450 H PHE 57 H PHE 57 6.797 11.433 24.655 451 HA PHE 57 HA PHE 57 5.613 9.316 23.280 452 HB2 PHE 57 HB2 PHE 57 5.476 12.179 22.332 453 HB3 PHE 57 HB3 PHE 57 4.250 10.929 22.179 454 HD1 PHE 57 HD1 PHE 57 4.222 9.885 24.973 455 HD2 PHE 57 HD2 PHE 57 4.372 13.865 23.481 456 HE1 PHE 57 HE1 PHE 57 3.152 10.698 27.034 457 HE2 PHE 57 HE2 PHE 57 3.309 14.681 25.542 458 HZ PHE 57 HZ PHE 57 2.697 13.097 27.321 459 H LYS 58 H LYS 58 8.297 11.291 22.482 460 HA LYS 58 HA LYS 58 8.399 10.608 19.684 461 HB2 LYS 58 HB2 LYS 58 9.242 12.751 20.247 462 HB3 LYS 58 HB3 LYS 58 10.191 12.115 21.583 463 HG2 LYS 58 HG2 LYS 58 11.231 10.779 19.453 464 HG3 LYS 58 HG3 LYS 58 10.854 12.351 18.754 465 HD2 LYS 58 HD2 LYS 58 12.379 11.997 21.322 466 HD3 LYS 58 HD3 LYS 58 13.160 12.083 19.748 467 HE2 LYS 58 HE2 LYS 58 12.056 14.297 19.408 468 HE3 LYS 58 HE3 LYS 58 11.468 14.199 21.068 469 HZ1 LYS 58 HZ1 LYS 58 13.433 15.484 21.117 470 HZ2 LYS 58 HZ2 LYS 58 14.273 14.381 20.147 471 HZ3 LYS 58 HZ3 LYS 58 13.867 13.958 21.732 472 H GLU 59 H GLU 59 10.293 9.787 22.602 473 HA GLU 59 HA GLU 59 12.124 8.213 20.987 474 HB2 GLU 59 HB2 GLU 59 12.892 9.819 22.733 475 HB3 GLU 59 HB3 GLU 59 12.189 8.768 23.953 476 HG2 GLU 59 HG2 GLU 59 13.689 6.952 23.159 477 HG3 GLU 59 HG3 GLU 59 14.458 8.126 22.091 478 H GLU 60 H GLU 60 9.347 7.617 22.846 479 HA GLU 60 HA GLU 60 9.923 5.300 24.259 480 HB2 GLU 60 HB2 GLU 60 7.399 6.314 23.009 481 HB3 GLU 60 HB3 GLU 60 7.425 4.707 23.722 482 HG2 GLU 60 HG2 GLU 60 8.192 7.223 25.181 483 HG3 GLU 60 HG3 GLU 60 6.593 6.484 25.233 484 H LEU 61 H LEU 61 8.619 5.461 20.947 485 HA LEU 61 HA LEU 61 9.841 2.876 20.383 486 HB2 LEU 61 HB2 LEU 61 6.886 3.441 20.177 487 HB3 LEU 61 HB3 LEU 61 7.661 2.141 19.293 488 HG LEU 61 HG LEU 61 7.609 2.391 22.303 489 HD11 LEU 61 HD11 LEU 61 6.038 0.531 22.233 490 HD12 LEU 61 HD12 LEU 61 6.052 0.572 20.469 491 HD13 LEU 61 HD13 LEU 61 5.396 1.933 21.379 492 HD21 LEU 61 HD21 LEU 61 9.578 1.222 21.483 493 HD22 LEU 61 HD22 LEU 61 8.561 0.168 20.500 494 HD23 LEU 61 HD23 LEU 61 8.463 0.099 22.261 495 HA PRO 62 HA PRO 62 10.682 5.034 16.526 496 HB2 PRO 62 HB2 PRO 62 11.381 2.675 15.223 497 HB3 PRO 62 HB3 PRO 62 12.497 3.718 16.108 498 HG2 PRO 62 HG2 PRO 62 11.163 1.198 16.978 499 HG3 PRO 62 HG3 PRO 62 12.792 1.794 17.345 500 HD2 PRO 62 HD2 PRO 62 10.801 1.924 19.145 501 HD3 PRO 62 HD3 PRO 62 12.038 3.193 19.029 502 H SER 63 H SER 63 9.056 5.618 15.314 503 HA SER 63 HA SER 63 6.591 4.434 15.194 504 HB2 SER 63 HB2 SER 63 7.720 6.064 12.925 505 HB3 SER 63 HB3 SER 63 6.057 6.008 13.509 506 HG SER 63 HG SER 63 6.804 6.988 15.454 507 H GLN 64 H GLN 64 8.926 4.436 12.492 508 HA GLN 64 HA GLN 64 9.173 3.096 10.678 509 HB2 GLN 64 HB2 GLN 64 8.267 1.006 12.664 510 HB3 GLN 64 HB3 GLN 64 8.899 0.636 11.065 511 HG2 GLN 64 HG2 GLN 64 11.009 1.742 11.666 512 HG3 GLN 64 HG3 GLN 64 10.372 2.045 13.281 513 HE21 GLN 64 HE21 GLN 64 8.998 -0.533 13.390 514 HE22 GLN 64 HE22 GLN 64 10.229 -1.718 13.647 515 H GLN 65 H GLN 65 6.513 4.286 11.430 516 HA GLN 65 HA GLN 65 5.062 3.487 9.147 517 HB2 GLN 65 HB2 GLN 65 3.067 2.542 10.288 518 HB3 GLN 65 HB3 GLN 65 4.477 1.507 10.468 519 HG2 GLN 65 HG2 GLN 65 4.830 2.314 12.716 520 HG3 GLN 65 HG3 GLN 65 3.497 3.451 12.546 521 HE21 GLN 65 HE21 GLN 65 2.448 2.566 14.330 522 HE22 GLN 65 HE22 GLN 65 1.665 1.025 14.285 523 HA PRO 66 HA PRO 66 3.304 7.468 10.100 524 HB2 PRO 66 HB2 PRO 66 0.764 6.587 8.890 525 HB3 PRO 66 HB3 PRO 66 1.856 7.879 8.385 526 HG2 PRO 66 HG2 PRO 66 1.623 5.600 6.981 527 HG3 PRO 66 HG3 PRO 66 3.166 6.462 7.120 528 HD2 PRO 66 HD2 PRO 66 2.222 4.019 8.575 529 HD3 PRO 66 HD3 PRO 66 3.824 4.378 7.894 530 H ARG 67 H ARG 67 3.141 7.295 12.337 531 HA ARG 67 HA ARG 67 0.665 6.119 13.407 532 HB2 ARG 67 HB2 ARG 67 3.103 7.057 14.929 533 HB3 ARG 67 HB3 ARG 67 1.738 6.185 15.587 534 HG2 ARG 67 HG2 ARG 67 2.348 4.251 14.171 535 HG3 ARG 67 HG3 ARG 67 3.790 5.136 13.666 536 HD2 ARG 67 HD2 ARG 67 4.493 5.288 16.023 537 HD3 ARG 67 HD3 ARG 67 3.078 4.349 16.492 538 HE ARG 67 HE ARG 67 5.085 3.225 14.653 539 HH11 ARG 67 HH11 ARG 67 3.273 3.066 17.654 540 HH12 ARG 67 HH12 ARG 67 3.843 1.485 18.062 541 HH21 ARG 67 HH21 ARG 67 5.865 1.159 15.199 542 HH22 ARG 67 HH22 ARG 67 5.321 0.391 16.658 543 H PHE 68 H PHE 68 -0.749 7.384 14.655 544 HA PHE 68 HA PHE 68 -0.022 10.224 14.771 545 HB2 PHE 68 HB2 PHE 68 -2.482 10.752 14.670 546 HB3 PHE 68 HB3 PHE 68 -1.748 10.194 13.180 547 HD1 PHE 68 HD1 PHE 68 -1.942 7.497 12.912 548 HD2 PHE 68 HD2 PHE 68 -4.567 10.013 15.123 549 HE1 PHE 68 HE1 PHE 68 -3.749 5.852 12.635 550 HE2 PHE 68 HE2 PHE 68 -6.373 8.368 14.858 551 HZ PHE 68 HZ PHE 68 -5.965 6.284 13.615 552 H ILE 69 H ILE 69 0.009 11.135 16.614 553 HA ILE 69 HA ILE 69 -1.012 9.614 18.908 554 HB ILE 69 HB ILE 69 1.361 9.600 18.997 555 HG12 ILE 69 HG12 ILE 69 -0.041 10.428 21.090 556 HG13 ILE 69 HG13 ILE 69 1.712 10.327 21.142 557 HG21 ILE 69 HG21 ILE 69 1.799 11.365 17.393 558 HG22 ILE 69 HG22 ILE 69 2.766 11.575 18.852 559 HG23 ILE 69 HG23 ILE 69 1.342 12.580 18.586 560 HD11 ILE 69 HD11 ILE 69 1.872 12.712 20.717 561 HD12 ILE 69 HD12 ILE 69 0.888 12.382 22.144 562 HD13 ILE 69 HD13 ILE 69 0.116 12.821 20.619 563 H LEU 70 H LEU 70 -2.646 10.506 19.898 564 HA LEU 70 HA LEU 70 -3.014 13.413 19.717 565 HB2 LEU 70 HB2 LEU 70 -4.865 11.861 18.980 566 HB3 LEU 70 HB3 LEU 70 -4.994 11.319 20.639 567 HG LEU 70 HG LEU 70 -5.344 14.224 19.929 568 HD11 LEU 70 HD11 LEU 70 -7.746 13.821 19.782 569 HD12 LEU 70 HD12 LEU 70 -7.471 12.085 19.938 570 HD13 LEU 70 HD13 LEU 70 -6.875 12.950 18.520 571 HD21 LEU 70 HD21 LEU 70 -5.070 13.664 22.295 572 HD22 LEU 70 HD22 LEU 70 -6.404 12.516 22.182 573 HD23 LEU 70 HD23 LEU 70 -6.702 14.240 21.957 574 H LEU 71 H LEU 71 -2.070 14.419 21.373 575 HA LEU 71 HA LEU 71 -2.319 13.171 24.025 576 HB2 LEU 71 HB2 LEU 71 -0.253 13.923 24.664 577 HB3 LEU 71 HB3 LEU 71 0.041 13.703 22.953 578 HG LEU 71 HG LEU 71 -0.689 16.358 24.168 579 HD11 LEU 71 HD11 LEU 71 1.400 15.554 25.149 580 HD12 LEU 71 HD12 LEU 71 1.680 16.915 24.066 581 HD13 LEU 71 HD13 LEU 71 2.053 15.276 23.535 582 HD21 LEU 71 HD21 LEU 71 0.565 15.614 21.528 583 HD22 LEU 71 HD22 LEU 71 0.235 17.252 22.092 584 HD23 LEU 71 HD23 LEU 71 -1.100 16.147 21.766 585 H SER 72 H SER 72 -2.864 14.519 25.783 586 HA SER 72 HA SER 72 -4.214 16.993 24.954 587 HB2 SER 72 HB2 SER 72 -5.752 15.275 25.825 588 HB3 SER 72 HB3 SER 72 -4.821 15.203 27.316 589 HG SER 72 HG SER 72 -5.740 17.706 26.536 590 H TRP 73 H TRP 73 -3.191 18.742 25.520 591 HA TRP 73 HA TRP 73 -1.333 18.636 27.794 592 HB2 TRP 73 HB2 TRP 73 -0.121 19.168 25.841 593 HB3 TRP 73 HB3 TRP 73 -1.379 20.239 25.246 594 HD1 TRP 73 HD1 TRP 73 -0.650 22.661 25.326 595 HE1 TRP 73 HE1 TRP 73 0.831 24.115 26.845 596 HE3 TRP 73 HE3 TRP 73 0.758 19.113 28.724 597 HZ2 TRP 73 HZ2 TRP 73 2.394 23.800 29.174 598 HZ3 TRP 73 HZ3 TRP 73 2.249 19.770 30.565 599 HH2 TRP 73 HH2 TRP 73 3.052 22.067 30.787 600 H CYS 74 H CYS 74 -1.846 19.731 29.556 601 HA CYS 74 HA CYS 74 -4.207 21.289 29.726 602 HB2 CYS 74 HB2 CYS 74 -1.917 21.013 31.682 603 HB3 CYS 74 HB3 CYS 74 -3.487 21.727 32.043 604 HG CYS 74 HG CYS 74 -2.718 18.450 31.518 605 H LYS 75 H LYS 75 -4.225 23.047 28.492 606 HA LYS 75 HA LYS 75 -2.079 25.028 28.841 607 HB2 LYS 75 HB2 LYS 75 -1.712 24.213 26.677 608 HB3 LYS 75 HB3 LYS 75 -3.421 23.997 26.358 609 HG2 LYS 75 HG2 LYS 75 -2.380 26.767 26.701 610 HG3 LYS 75 HG3 LYS 75 -2.039 25.904 25.198 611 HD2 LYS 75 HD2 LYS 75 -4.473 25.472 24.954 612 HD3 LYS 75 HD3 LYS 75 -4.758 26.455 26.389 613 HE2 LYS 75 HE2 LYS 75 -5.159 27.890 24.582 614 HE3 LYS 75 HE3 LYS 75 -3.549 28.322 25.154 615 HZ1 LYS 75 HZ1 LYS 75 -4.131 26.556 22.833 616 HZ2 LYS 75 HZ2 LYS 75 -2.585 27.023 23.364 617 HZ3 LYS 75 HZ3 LYS 75 -3.658 28.181 22.739 618 H LYS 76 H LYS 76 -2.821 26.822 29.766 619 HA LYS 76 HA LYS 76 -5.623 27.546 29.290 620 HB2 LYS 76 HB2 LYS 76 -5.409 29.061 31.224 621 HB3 LYS 76 HB3 LYS 76 -5.092 27.388 31.647 622 HG2 LYS 76 HG2 LYS 76 -2.704 27.841 31.601 623 HG3 LYS 76 HG3 LYS 76 -3.023 29.526 31.207 624 HD2 LYS 76 HD2 LYS 76 -3.685 28.037 33.740 625 HD3 LYS 76 HD3 LYS 76 -2.622 29.432 33.547 626 HE2 LYS 76 HE2 LYS 76 -4.749 30.625 32.689 627 HE3 LYS 76 HE3 LYS 76 -5.614 29.307 33.468 628 HZ1 LYS 76 HZ1 LYS 76 -3.703 31.151 34.810 629 HZ2 LYS 76 HZ2 LYS 76 -4.529 29.872 35.562 630 HZ3 LYS 76 HZ3 LYS 76 -5.394 31.202 34.954 631 H HIS 77 H HIS 77 -6.156 29.423 28.339 632 HA HIS 77 HA HIS 77 -3.999 30.693 26.850 633 HB2 HIS 77 HB2 HIS 77 -6.015 29.828 25.675 634 HB3 HIS 77 HB3 HIS 77 -7.006 30.968 26.572 635 HD1 HIS 77 HD1 HIS 77 -3.948 31.205 24.284 636 HD2 HIS 77 HD2 HIS 77 -7.547 33.146 25.085 637 HE1 HIS 77 HE1 HIS 77 -4.086 33.104 22.636 638 HE2 HIS 77 HE2 HIS 77 -6.312 34.205 23.068 639 H SER 78 H SER 78 -4.389 33.147 26.470 640 HA SER 78 HA SER 78 -3.931 34.443 28.911 641 HB2 SER 78 HB2 SER 78 -4.271 36.506 27.259 642 HB3 SER 78 HB3 SER 78 -2.840 35.473 27.186 643 HG SER 78 HG SER 78 -4.897 35.769 25.378 644 H ASP 79 H ASP 79 -6.851 33.416 27.787 645 HA ASP 79 HA ASP 79 -8.355 35.677 28.854 646 HB2 ASP 79 HB2 ASP 79 -10.346 34.538 28.052 647 HB3 ASP 79 HB3 ASP 79 -9.149 34.616 26.764 648 H GLU 80 H GLU 80 -6.623 33.605 30.306 649 HA GLU 80 HA GLU 80 -6.459 33.350 32.559 650 HB2 GLU 80 HB2 GLU 80 -9.381 34.058 32.711 651 HB3 GLU 80 HB3 GLU 80 -8.295 33.872 34.079 652 HG2 GLU 80 HG2 GLU 80 -6.960 35.757 33.248 653 HG3 GLU 80 HG3 GLU 80 -8.102 35.954 31.918 654 H ARG 81 H ARG 81 -8.655 31.541 30.646 655 HA ARG 81 HA ARG 81 -9.030 29.692 32.881 656 HB2 ARG 81 HB2 ARG 81 -11.169 29.477 32.285 657 HB3 ARG 81 HB3 ARG 81 -10.913 30.738 31.094 658 HG2 ARG 81 HG2 ARG 81 -10.364 27.862 30.462 659 HG3 ARG 81 HG3 ARG 81 -11.985 28.543 30.342 660 HD2 ARG 81 HD2 ARG 81 -11.115 30.251 28.782 661 HD3 ARG 81 HD3 ARG 81 -9.528 29.486 28.866 662 HE ARG 81 HE ARG 81 -11.257 27.485 28.128 663 HH11 ARG 81 HH11 ARG 81 -10.364 30.616 26.837 664 HH12 ARG 81 HH12 ARG 81 -10.636 30.138 25.183 665 HH21 ARG 81 HH21 ARG 81 -11.596 26.866 25.953 666 HH22 ARG 81 HH22 ARG 81 -11.314 28.021 24.682 667 H ILE 82 H ILE 82 -8.782 27.492 32.627 668 HA ILE 82 HA ILE 82 -6.615 26.927 30.780 669 HB ILE 82 HB ILE 82 -6.492 26.409 33.277 670 HG12 ILE 82 HG12 ILE 82 -5.931 24.289 31.208 671 HG13 ILE 82 HG13 ILE 82 -4.863 25.590 31.698 672 HG21 ILE 82 HG21 ILE 82 -8.672 25.392 33.578 673 HG22 ILE 82 HG22 ILE 82 -7.403 24.234 33.979 674 HG23 ILE 82 HG23 ILE 82 -8.256 24.109 32.441 675 HD11 ILE 82 HD11 ILE 82 -5.741 23.297 33.433 676 HD12 ILE 82 HD12 ILE 82 -4.658 24.603 33.913 677 HD13 ILE 82 HD13 ILE 82 -4.169 23.468 32.653 678 H SER 83 H SER 83 -6.693 25.465 29.202 679 HA SER 83 HA SER 83 -9.268 24.125 28.737 680 HB2 SER 83 HB2 SER 83 -7.289 25.133 26.678 681 HB3 SER 83 HB3 SER 83 -8.837 24.359 26.341 682 HG SER 83 HG SER 83 -9.877 26.111 27.283 683 H TYR 84 H TYR 84 -9.086 22.114 27.494 684 HA TYR 84 HA TYR 84 -6.448 20.847 27.770 685 HB2 TYR 84 HB2 TYR 84 -9.175 19.532 27.793 686 HB3 TYR 84 HB3 TYR 84 -7.638 18.674 27.842 687 HD1 TYR 84 HD1 TYR 84 -6.057 19.266 29.808 688 HD2 TYR 84 HD2 TYR 84 -10.220 20.142 29.780 689 HE1 TYR 84 HE1 TYR 84 -6.033 19.440 32.259 690 HE2 TYR 84 HE2 TYR 84 -10.204 20.319 32.232 691 HH TYR 84 HH TYR 84 -7.371 20.558 34.033 692 HA PRO 85 HA PRO 85 -7.440 21.328 23.262 693 HB2 PRO 85 HB2 PRO 85 -4.906 22.027 22.549 694 HB3 PRO 85 HB3 PRO 85 -6.130 23.202 23.043 695 HG2 PRO 85 HG2 PRO 85 -3.899 22.003 24.633 696 HG3 PRO 85 HG3 PRO 85 -4.476 23.681 24.599 697 HD2 PRO 85 HD2 PRO 85 -5.135 21.964 26.576 698 HD3 PRO 85 HD3 PRO 85 -6.239 23.236 26.014 699 H MET 86 H MET 86 -7.559 19.400 22.386 700 HA MET 86 HA MET 86 -5.329 17.525 22.729 701 HB2 MET 86 HB2 MET 86 -8.057 17.008 21.533 702 HB3 MET 86 HB3 MET 86 -6.858 15.804 21.976 703 HG2 MET 86 HG2 MET 86 -7.178 16.222 24.293 704 HG3 MET 86 HG3 MET 86 -8.182 17.634 23.959 705 HE1 MET 86 HE1 MET 86 -10.570 17.481 22.774 706 HE2 MET 86 HE2 MET 86 -11.337 15.960 22.314 707 HE3 MET 86 HE3 MET 86 -9.888 16.507 21.471 708 H LEU 87 H LEU 87 -4.053 17.031 21.033 709 HA LEU 87 HA LEU 87 -5.095 17.549 18.379 710 HB2 LEU 87 HB2 LEU 87 -2.944 18.541 17.617 711 HB3 LEU 87 HB3 LEU 87 -3.892 19.550 18.674 712 HG LEU 87 HG LEU 87 -1.566 19.847 19.139 713 HD11 LEU 87 HD11 LEU 87 -1.462 19.394 21.505 714 HD12 LEU 87 HD12 LEU 87 -2.793 18.247 21.365 715 HD13 LEU 87 HD13 LEU 87 -3.070 19.960 21.048 716 HD21 LEU 87 HD21 LEU 87 -0.125 18.050 19.933 717 HD22 LEU 87 HD22 LEU 87 -0.699 17.766 18.289 718 HD23 LEU 87 HD23 LEU 87 -1.420 16.889 19.639 719 H LEU 88 H LEU 88 -4.276 16.293 16.748 720 HA LEU 88 HA LEU 88 -2.770 13.973 17.739 721 HB2 LEU 88 HB2 LEU 88 -3.917 12.592 16.103 722 HB3 LEU 88 HB3 LEU 88 -5.067 13.385 17.157 723 HG LEU 88 HG LEU 88 -4.928 15.111 15.018 724 HD11 LEU 88 HD11 LEU 88 -5.215 13.734 13.022 725 HD12 LEU 88 HD12 LEU 88 -4.856 12.286 13.963 726 HD13 LEU 88 HD13 LEU 88 -3.612 13.514 13.724 727 HD21 LEU 88 HD21 LEU 88 -6.838 12.832 15.511 728 HD22 LEU 88 HD22 LEU 88 -7.147 14.216 14.461 729 HD23 LEU 88 HD23 LEU 88 -6.940 14.455 16.197 730 H ILE 89 H ILE 89 -0.810 13.884 17.019 731 HA ILE 89 HA ILE 89 -0.178 15.219 14.482 732 HB ILE 89 HB ILE 89 1.681 14.377 16.704 733 HG12 ILE 89 HG12 ILE 89 0.728 17.138 15.931 734 HG13 ILE 89 HG13 ILE 89 0.104 16.220 17.295 735 HG21 ILE 89 HG21 ILE 89 2.188 16.019 14.230 736 HG22 ILE 89 HG22 ILE 89 2.779 14.386 14.533 737 HG23 ILE 89 HG23 ILE 89 3.354 15.730 15.522 738 HD11 ILE 89 HD11 ILE 89 2.941 17.176 16.948 739 HD12 ILE 89 HD12 ILE 89 2.331 16.248 18.317 740 HD13 ILE 89 HD13 ILE 89 1.727 17.878 18.018 741 H TYR 90 H TYR 90 -0.307 13.796 12.850 742 HA TYR 90 HA TYR 90 0.851 11.156 13.314 743 HB2 TYR 90 HB2 TYR 90 -0.260 10.356 11.341 744 HB3 TYR 90 HB3 TYR 90 -1.418 11.151 12.382 745 HD1 TYR 90 HD1 TYR 90 -0.083 10.913 9.106 746 HD2 TYR 90 HD2 TYR 90 -2.143 13.533 11.747 747 HE1 TYR 90 HE1 TYR 90 -0.907 12.191 7.179 748 HE2 TYR 90 HE2 TYR 90 -2.972 14.822 9.824 749 HH TYR 90 HH TYR 90 -2.201 15.229 7.407 750 H TYR 91 H TYR 91 2.795 10.894 12.841 751 HA TYR 91 HA TYR 91 4.059 12.650 10.874 752 HB2 TYR 91 HB2 TYR 91 6.175 11.543 12.036 753 HB3 TYR 91 HB3 TYR 91 5.319 12.880 12.801 754 HD1 TYR 91 HD1 TYR 91 5.248 9.139 12.695 755 HD2 TYR 91 HD2 TYR 91 4.727 12.662 15.024 756 HE1 TYR 91 HE1 TYR 91 4.857 7.758 14.687 757 HE2 TYR 91 HE2 TYR 91 4.334 11.286 17.024 758 HH TYR 91 HH TYR 91 3.716 9.104 17.661 759 H CYS 92 H CYS 92 5.190 11.804 9.161 760 HA CYS 92 HA CYS 92 4.978 8.889 8.793 761 HB2 CYS 92 HB2 CYS 92 4.815 11.002 6.632 762 HB3 CYS 92 HB3 CYS 92 4.672 9.262 6.400 763 HG CYS 92 HG CYS 92 2.470 10.526 8.586 764 HA PRO 93 HA PRO 93 9.394 9.987 8.369 765 HB2 PRO 93 HB2 PRO 93 10.380 8.604 10.420 766 HB3 PRO 93 HB3 PRO 93 9.512 10.122 10.683 767 HG2 PRO 93 HG2 PRO 93 8.610 7.324 11.132 768 HG3 PRO 93 HG3 PRO 93 8.197 8.797 12.027 769 HD2 PRO 93 HD2 PRO 93 6.672 7.547 9.990 770 HD3 PRO 93 HD3 PRO 93 6.361 9.121 10.743 771 H ASN 94 H ASN 94 11.266 8.035 8.927 772 HA ASN 94 HA ASN 94 11.171 6.393 6.662 773 HB2 ASN 94 HB2 ASN 94 12.838 6.081 9.170 774 HB3 ASN 94 HB3 ASN 94 13.112 5.206 7.668 775 HD21 ASN 94 HD21 ASN 94 12.421 7.530 6.009 776 HD22 ASN 94 HD22 ASN 94 13.773 8.604 6.130 777 H GLY 95 H GLY 95 10.498 4.346 6.295 778 HA2 GLY 95 HA2 GLY 95 9.852 2.151 7.036 779 HA3 GLY 95 HA3 GLY 95 9.355 2.860 8.568 780 H SER 96 H SER 96 8.238 5.105 6.707 781 HA SER 96 HA SER 96 5.582 3.938 6.580 782 HB2 SER 96 HB2 SER 96 6.423 6.767 5.917 783 HB3 SER 96 HB3 SER 96 4.798 6.194 6.294 784 HG SER 96 HG SER 96 6.964 6.686 7.981 785 H SER 97 H SER 97 4.909 2.970 4.777 786 HA SER 97 HA SER 97 6.103 3.542 2.216 787 HB2 SER 97 HB2 SER 97 3.770 1.749 2.935 788 HB3 SER 97 HB3 SER 97 4.593 1.792 1.375 789 HG SER 97 HG SER 97 6.512 1.452 3.079 790 HA PRO 98 HA PRO 98 3.647 6.801 0.673 791 HB2 PRO 98 HB2 PRO 98 2.756 5.485 -1.696 792 HB3 PRO 98 HB3 PRO 98 4.079 6.637 -1.524 793 HG2 PRO 98 HG2 PRO 98 4.153 3.691 -1.652 794 HG3 PRO 98 HG3 PRO 98 5.410 4.871 -2.059 795 HD2 PRO 98 HD2 PRO 98 5.535 3.325 0.150 796 HD3 PRO 98 HD3 PRO 98 6.189 4.976 0.110 797 H GLU 99 H GLU 99 2.004 3.660 0.022 798 HA GLU 99 HA GLU 99 -0.571 4.844 -0.050 799 HB2 GLU 99 HB2 GLU 99 -0.325 2.008 0.811 800 HB3 GLU 99 HB3 GLU 99 -1.461 2.740 -0.303 801 HG2 GLU 99 HG2 GLU 99 -0.195 1.475 -1.718 802 HG3 GLU 99 HG3 GLU 99 0.634 3.029 -1.818 803 H LEU 100 H LEU 100 1.359 3.514 2.564 804 HA LEU 100 HA LEU 100 -0.732 3.310 4.459 805 HB2 LEU 100 HB2 LEU 100 2.200 3.757 4.988 806 HB3 LEU 100 HB3 LEU 100 1.020 3.199 6.150 807 HG LEU 100 HG LEU 100 1.911 1.687 3.693 808 HD11 LEU 100 HD11 LEU 100 2.451 1.202 6.619 809 HD12 LEU 100 HD12 LEU 100 3.620 1.787 5.435 810 HD13 LEU 100 HD13 LEU 100 2.949 0.163 5.284 811 HD21 LEU 100 HD21 LEU 100 0.604 -0.163 4.647 812 HD22 LEU 100 HD22 LEU 100 -0.410 1.214 4.217 813 HD23 LEU 100 HD23 LEU 100 0.009 0.920 5.905 814 H GLN 101 H GLN 101 1.521 5.920 3.628 815 HA GLN 101 HA GLN 101 0.734 7.726 5.632 816 HB2 GLN 101 HB2 GLN 101 1.614 8.337 2.803 817 HB3 GLN 101 HB3 GLN 101 1.530 9.504 4.116 818 HG2 GLN 101 HG2 GLN 101 3.195 8.173 5.353 819 HG3 GLN 101 HG3 GLN 101 3.319 7.103 3.961 820 HE21 GLN 101 HE21 GLN 101 2.868 10.545 3.699 821 HE22 GLN 101 HE22 GLN 101 4.434 10.913 3.065 822 H MET 102 H MET 102 -0.494 7.189 2.365 823 HA MET 102 HA MET 102 -2.561 9.105 2.442 824 HB2 MET 102 HB2 MET 102 -2.316 6.542 0.859 825 HB3 MET 102 HB3 MET 102 -3.521 7.779 0.557 826 HG2 MET 102 HG2 MET 102 -0.540 8.037 0.279 827 HG3 MET 102 HG3 MET 102 -1.735 8.017 -1.016 828 HE1 MET 102 HE1 MET 102 -3.452 10.018 -1.476 829 HE2 MET 102 HE2 MET 102 -3.595 11.427 -0.424 830 HE3 MET 102 HE3 MET 102 -4.037 9.829 0.177 831 H LEU 103 H LEU 103 -2.337 5.794 3.488 832 HA LEU 103 HA LEU 103 -5.051 5.293 4.030 833 HB2 LEU 103 HB2 LEU 103 -3.544 3.470 3.905 834 HB3 LEU 103 HB3 LEU 103 -2.466 4.175 5.092 835 HG LEU 103 HG LEU 103 -4.151 3.771 6.840 836 HD11 LEU 103 HD11 LEU 103 -5.655 2.318 4.664 837 HD12 LEU 103 HD12 LEU 103 -6.156 3.829 5.421 838 HD13 LEU 103 HD13 LEU 103 -6.077 2.348 6.376 839 HD21 LEU 103 HD21 LEU 103 -3.883 1.338 6.922 840 HD22 LEU 103 HD22 LEU 103 -2.388 2.152 6.462 841 HD23 LEU 103 HD23 LEU 103 -3.366 1.346 5.236 842 H TYR 104 H TYR 104 -2.419 6.268 6.235 843 HA TYR 104 HA TYR 104 -4.173 6.608 8.448 844 HB2 TYR 104 HB2 TYR 104 -1.311 7.422 7.975 845 HB3 TYR 104 HB3 TYR 104 -2.156 7.753 9.487 846 HD1 TYR 104 HD1 TYR 104 -0.691 5.150 7.372 847 HD2 TYR 104 HD2 TYR 104 -2.770 5.945 10.991 848 HE1 TYR 104 HE1 TYR 104 -0.168 2.883 8.158 849 HE2 TYR 104 HE2 TYR 104 -2.245 3.683 11.793 850 HH TYR 104 HH TYR 104 -1.754 1.413 10.611 851 H ALA 105 H ALA 105 -2.689 8.871 6.140 852 HA ALA 105 HA ALA 105 -3.812 11.207 7.312 853 HB1 ALA 105 HB1 ALA 105 -3.277 12.305 5.205 854 HB2 ALA 105 HB2 ALA 105 -3.001 10.738 4.445 855 HB3 ALA 105 HB3 ALA 105 -1.940 11.288 5.741 856 H GLY 106 H GLY 106 -5.162 8.673 5.468 857 HA2 GLY 106 HA2 GLY 106 -7.370 10.198 4.404 858 HA3 GLY 106 HA3 GLY 106 -7.180 8.450 4.352 859 H SER 107 H SER 107 -6.986 7.788 6.994 860 HA SER 107 HA SER 107 -9.770 8.103 7.715 861 HB2 SER 107 HB2 SER 107 -7.658 6.348 8.953 862 HB3 SER 107 HB3 SER 107 -9.395 6.260 9.249 863 HG SER 107 HG SER 107 -7.937 5.569 6.945 864 H ARG 108 H ARG 108 -6.974 9.741 8.520 865 HA ARG 108 HA ARG 108 -7.377 10.110 11.287 866 HB2 ARG 108 HB2 ARG 108 -5.865 12.028 11.119 867 HB3 ARG 108 HB3 ARG 108 -5.225 10.611 10.313 868 HG2 ARG 108 HG2 ARG 108 -4.685 12.251 8.817 869 HG3 ARG 108 HG3 ARG 108 -6.242 11.732 8.174 870 HD2 ARG 108 HD2 ARG 108 -7.196 13.717 8.588 871 HD3 ARG 108 HD3 ARG 108 -6.460 13.837 10.186 872 HE ARG 108 HE ARG 108 -4.364 14.448 8.764 873 HH11 ARG 108 HH11 ARG 108 -7.643 15.298 7.917 874 HH12 ARG 108 HH12 ARG 108 -7.215 16.861 7.280 875 HH21 ARG 108 HH21 ARG 108 -3.774 16.514 7.942 876 HH22 ARG 108 HH22 ARG 108 -5.021 17.551 7.302 877 H ASN 109 H ASN 109 -9.037 11.363 8.584 878 HA ASN 109 HA ASN 109 -9.964 13.801 9.700 879 HB2 ASN 109 HB2 ASN 109 -10.952 12.049 7.463 880 HB3 ASN 109 HB3 ASN 109 -11.834 13.490 7.953 881 HD21 ASN 109 HD21 ASN 109 -11.486 14.424 5.934 882 HD22 ASN 109 HD22 ASN 109 -9.952 15.094 5.492 883 H PHE 110 H PHE 110 -11.044 10.491 9.942 884 HA PHE 110 HA PHE 110 -13.691 11.060 10.799 885 HB2 PHE 110 HB2 PHE 110 -11.999 8.570 11.036 886 HB3 PHE 110 HB3 PHE 110 -13.694 8.651 11.511 887 HD1 PHE 110 HD1 PHE 110 -15.443 8.859 9.853 888 HD2 PHE 110 HD2 PHE 110 -11.352 8.595 8.710 889 HE1 PHE 110 HE1 PHE 110 -16.127 8.369 7.542 890 HE2 PHE 110 HE2 PHE 110 -12.028 8.110 6.394 891 HZ PHE 110 HZ PHE 110 -14.420 7.995 5.810 892 H ILE 111 H ILE 111 -10.697 10.329 12.545 893 HA ILE 111 HA ILE 111 -11.966 10.171 15.082 894 HB ILE 111 HB ILE 111 -9.844 9.038 14.610 895 HG12 ILE 111 HG12 ILE 111 -10.596 9.956 16.958 896 HG13 ILE 111 HG13 ILE 111 -9.031 9.198 16.747 897 HG21 ILE 111 HG21 ILE 111 -7.740 10.249 14.514 898 HG22 ILE 111 HG22 ILE 111 -8.609 11.781 14.605 899 HG23 ILE 111 HG23 ILE 111 -8.813 10.734 13.201 900 HD11 ILE 111 HD11 ILE 111 -7.972 11.387 16.638 901 HD12 ILE 111 HD12 ILE 111 -8.892 11.194 18.131 902 HD13 ILE 111 HD13 ILE 111 -9.548 12.159 16.808 903 H VAL 112 H VAL 112 -10.603 12.784 13.215 904 HA VAL 112 HA VAL 112 -10.309 14.732 15.196 905 HB VAL 112 HB VAL 112 -11.121 15.054 12.298 906 HG11 VAL 112 HG11 VAL 112 -11.776 17.030 13.580 907 HG12 VAL 112 HG12 VAL 112 -10.421 17.387 12.508 908 HG13 VAL 112 HG13 VAL 112 -10.142 17.153 14.234 909 HG21 VAL 112 HG21 VAL 112 -8.777 15.646 11.953 910 HG22 VAL 112 HG22 VAL 112 -8.928 14.023 12.627 911 HG23 VAL 112 HG23 VAL 112 -8.448 15.368 13.662 912 H ASN 113 H ASN 113 -13.136 13.427 13.675 913 HA ASN 113 HA ASN 113 -14.849 15.608 14.547 914 HB2 ASN 113 HB2 ASN 113 -15.229 14.457 12.368 915 HB3 ASN 113 HB3 ASN 113 -15.610 12.981 13.247 916 HD21 ASN 113 HD21 ASN 113 -17.567 12.835 14.377 917 HD22 ASN 113 HD22 ASN 113 -18.858 13.956 14.107 918 H GLU 114 H GLU 114 -14.235 12.235 15.320 919 HA GLU 114 HA GLU 114 -16.405 11.707 16.946 920 HB2 GLU 114 HB2 GLU 114 -13.978 10.432 16.241 921 HB3 GLU 114 HB3 GLU 114 -14.106 10.363 17.991 922 HG2 GLU 114 HG2 GLU 114 -16.177 9.397 16.031 923 HG3 GLU 114 HG3 GLU 114 -15.058 8.387 16.945 924 H CYS 115 H CYS 115 -13.266 13.074 17.857 925 HA CYS 115 HA CYS 115 -14.323 13.432 20.578 926 HB2 CYS 115 HB2 CYS 115 -11.462 13.459 19.602 927 HB3 CYS 115 HB3 CYS 115 -11.971 13.654 21.277 928 HG CYS 115 HG CYS 115 -10.879 11.042 20.635 929 H HIS 116 H HIS 116 -14.394 15.153 17.925 930 HA HIS 116 HA HIS 116 -14.046 17.300 17.234 931 HB2 HIS 116 HB2 HIS 116 -15.921 17.641 18.768 932 HB3 HIS 116 HB3 HIS 116 -14.814 17.802 20.126 933 HD1 HIS 116 HD1 HIS 116 -14.648 20.156 20.811 934 HD2 HIS 116 HD2 HIS 116 -15.073 19.805 16.692 935 HE1 HIS 116 HE1 HIS 116 -14.587 22.502 19.928 936 HE2 HIS 116 HE2 HIS 116 -14.636 22.256 17.423 937 H VAL 117 H VAL 117 -11.733 16.368 17.285 938 HA VAL 117 HA VAL 117 -9.875 17.100 19.240 939 HB VAL 117 HB VAL 117 -9.279 16.851 16.289 940 HG11 VAL 117 HG11 VAL 117 -7.091 16.094 17.047 941 HG12 VAL 117 HG12 VAL 117 -7.585 16.327 18.723 942 HG13 VAL 117 HG13 VAL 117 -7.444 17.716 17.644 943 HG21 VAL 117 HG21 VAL 117 -8.904 14.481 16.694 944 HG22 VAL 117 HG22 VAL 117 -10.578 14.928 17.029 945 HG23 VAL 117 HG23 VAL 117 -9.449 14.673 18.361 946 H SER 118 H SER 118 -8.822 18.934 19.711 947 HA SER 118 HA SER 118 -9.827 21.395 18.844 948 HB2 SER 118 HB2 SER 118 -7.153 20.926 20.167 949 HB3 SER 118 HB3 SER 118 -8.149 22.380 20.248 950 HG SER 118 HG SER 118 -9.771 20.968 21.259 951 H LYS 119 H LYS 119 -6.919 19.611 17.956 952 HA LYS 119 HA LYS 119 -6.750 20.943 15.431 953 HB2 LYS 119 HB2 LYS 119 -4.320 21.684 15.927 954 HB3 LYS 119 HB3 LYS 119 -5.642 22.701 16.475 955 HG2 LYS 119 HG2 LYS 119 -5.425 21.832 18.726 956 HG3 LYS 119 HG3 LYS 119 -4.162 20.720 18.193 957 HD2 LYS 119 HD2 LYS 119 -3.960 23.716 17.954 958 HD3 LYS 119 HD3 LYS 119 -3.338 22.801 19.329 959 HE2 LYS 119 HE2 LYS 119 -1.573 22.027 18.176 960 HE3 LYS 119 HE3 LYS 119 -2.512 21.786 16.704 961 HZ1 LYS 119 HZ1 LYS 119 -2.400 24.206 16.333 962 HZ2 LYS 119 HZ2 LYS 119 -0.863 23.492 16.350 963 HZ3 LYS 119 HZ3 LYS 119 -1.408 24.368 17.697 964 H ASN 120 H ASN 120 -4.700 20.194 14.260 965 HA ASN 120 HA ASN 120 -3.657 17.667 15.295 966 HB2 ASN 120 HB2 ASN 120 -3.884 16.592 13.088 967 HB3 ASN 120 HB3 ASN 120 -5.439 16.991 13.795 968 HD21 ASN 120 HD21 ASN 120 -4.628 16.530 11.005 969 HD22 ASN 120 HD22 ASN 120 -5.111 17.939 10.133 970 H THR 121 H THR 121 -1.817 16.887 13.845 971 HA THR 121 HA THR 121 -0.376 18.974 12.452 972 HB THR 121 HB THR 121 0.848 17.674 14.897 973 HG1 THR 121 HG1 THR 121 -0.699 19.914 14.611 974 HG21 THR 121 HG21 THR 121 2.661 19.273 14.559 975 HG22 THR 121 HG22 THR 121 1.855 19.894 13.119 976 HG23 THR 121 HG23 THR 121 2.464 18.239 13.144 977 H GLU 122 H GLU 122 1.333 18.117 11.151 978 HA GLU 122 HA GLU 122 1.746 15.234 11.194 979 HB2 GLU 122 HB2 GLU 122 1.322 15.199 8.664 980 HB3 GLU 122 HB3 GLU 122 -0.085 15.247 9.720 981 HG2 GLU 122 HG2 GLU 122 0.006 17.771 9.406 982 HG3 GLU 122 HG3 GLU 122 1.084 17.442 8.056 983 H ILE 123 H ILE 123 3.847 14.973 11.164 984 HA ILE 123 HA ILE 123 5.500 16.836 9.568 985 HB ILE 123 HB ILE 123 6.450 15.577 12.155 986 HG12 ILE 123 HG12 ILE 123 5.296 18.360 11.800 987 HG13 ILE 123 HG13 ILE 123 4.450 17.025 12.572 988 HG21 ILE 123 HG21 ILE 123 8.136 17.337 12.064 989 HG22 ILE 123 HG22 ILE 123 7.420 17.963 10.579 990 HG23 ILE 123 HG23 ILE 123 8.164 16.363 10.593 991 HD11 ILE 123 HD11 ILE 123 6.194 16.946 14.294 992 HD12 ILE 123 HD12 ILE 123 5.381 18.510 14.225 993 HD13 ILE 123 HD13 ILE 123 6.991 18.319 13.528 994 H ARG 124 H ARG 124 7.558 15.834 8.788 995 HA ARG 124 HA ARG 124 7.135 12.939 8.430 996 HB2 ARG 124 HB2 ARG 124 6.903 14.349 6.397 997 HB3 ARG 124 HB3 ARG 124 8.571 14.860 6.591 998 HG2 ARG 124 HG2 ARG 124 9.279 12.512 6.342 999 HG3 ARG 124 HG3 ARG 124 7.598 12.066 6.042 1000 HD2 ARG 124 HD2 ARG 124 7.599 13.665 4.133 1001 HD3 ARG 124 HD3 ARG 124 9.329 13.894 4.388 1002 HE ARG 124 HE ARG 124 8.009 11.466 3.399 1003 HH11 ARG 124 HH11 ARG 124 10.968 13.183 4.192 1004 HH12 ARG 124 HH12 ARG 124 11.988 12.044 3.365 1005 HH21 ARG 124 HH21 ARG 124 9.341 9.991 2.306 1006 HH22 ARG 124 HH22 ARG 124 11.071 10.235 2.286 1007 H ASP 125 H ASP 125 8.356 13.220 10.643 1008 HA ASP 125 HA ASP 125 10.549 11.607 10.448 1009 HB2 ASP 125 HB2 ASP 125 11.677 13.668 9.458 1010 HB3 ASP 125 HB3 ASP 125 11.550 14.393 11.059 1011 H ILE 126 H ILE 126 11.465 11.080 12.526 1012 HA ILE 126 HA ILE 126 9.893 12.083 14.786 1013 HB ILE 126 HB ILE 126 11.677 9.667 14.467 1014 HG12 ILE 126 HG12 ILE 126 9.441 9.497 13.492 1015 HG13 ILE 126 HG13 ILE 126 9.597 8.434 14.887 1016 HG21 ILE 126 HG21 ILE 126 10.290 10.618 16.968 1017 HG22 ILE 126 HG22 ILE 126 12.030 10.504 16.710 1018 HG23 ILE 126 HG23 ILE 126 11.049 9.039 16.763 1019 HD11 ILE 126 HD11 ILE 126 7.447 9.537 14.886 1020 HD12 ILE 126 HD12 ILE 126 8.233 11.114 14.846 1021 HD13 ILE 126 HD13 ILE 126 8.411 10.076 16.262 1022 H ASP 127 H ASP 127 13.046 12.245 13.413 1023 HA ASP 127 HA ASP 127 14.406 12.746 15.907 1024 HB2 ASP 127 HB2 ASP 127 15.541 11.486 14.188 1025 HB3 ASP 127 HB3 ASP 127 15.338 12.798 13.037 1026 H GLU 128 H GLU 128 12.851 14.681 13.492 1027 HA GLU 128 HA GLU 128 14.378 17.039 14.334 1028 HB2 GLU 128 HB2 GLU 128 13.452 18.185 12.412 1029 HB3 GLU 128 HB3 GLU 128 14.178 16.665 11.912 1030 HG2 GLU 128 HG2 GLU 128 12.042 15.648 11.635 1031 HG3 GLU 128 HG3 GLU 128 11.231 17.022 12.388 1032 H ILE 129 H ILE 129 11.870 15.506 15.539 1033 HA ILE 129 HA ILE 129 10.327 17.961 16.053 1034 HB ILE 129 HB ILE 129 8.432 16.596 16.673 1035 HG12 ILE 129 HG12 ILE 129 10.160 14.190 16.039 1036 HG13 ILE 129 HG13 ILE 129 9.674 14.692 17.653 1037 HG21 ILE 129 HG21 ILE 129 9.636 15.703 14.059 1038 HG22 ILE 129 HG22 ILE 129 8.670 17.153 14.333 1039 HG23 ILE 129 HG23 ILE 129 7.934 15.560 14.506 1040 HD11 ILE 129 HD11 ILE 129 7.832 13.779 15.458 1041 HD12 ILE 129 HD12 ILE 129 7.332 14.304 17.064 1042 HD13 ILE 129 HD13 ILE 129 8.312 12.849 16.877 1043 H ASP 130 H ASP 130 9.816 18.526 18.187 1044 HA ASP 130 HA ASP 130 10.728 16.976 20.411 1045 HB2 ASP 130 HB2 ASP 130 12.831 18.066 19.325 1046 HB3 ASP 130 HB3 ASP 130 12.228 19.560 20.035 1047 H ASP 131 H ASP 131 11.056 19.043 22.275 1048 HA ASP 131 HA ASP 131 8.301 19.679 22.739 1049 HB2 ASP 131 HB2 ASP 131 9.903 19.091 24.540 1050 HB3 ASP 131 HB3 ASP 131 10.773 20.590 24.234 1051 H GLU 132 H GLU 132 10.839 21.214 21.127 1052 HA GLU 132 HA GLU 132 10.537 23.906 21.609 1053 HB2 GLU 132 HB2 GLU 132 11.452 24.262 19.356 1054 HB3 GLU 132 HB3 GLU 132 12.323 23.009 20.228 1055 HG2 GLU 132 HG2 GLU 132 11.273 21.286 18.953 1056 HG3 GLU 132 HG3 GLU 132 10.156 22.438 18.224 1057 H LEU 133 H LEU 133 8.568 21.837 19.528 1058 HA LEU 133 HA LEU 133 7.102 24.023 18.417 1059 HB2 LEU 133 HB2 LEU 133 5.469 22.145 17.761 1060 HB3 LEU 133 HB3 LEU 133 7.043 22.220 17.006 1061 HG LEU 133 HG LEU 133 7.621 20.541 19.017 1062 HD11 LEU 133 HD11 LEU 133 5.781 18.961 19.329 1063 HD12 LEU 133 HD12 LEU 133 4.714 20.025 18.415 1064 HD13 LEU 133 HD13 LEU 133 5.383 20.560 19.956 1065 HD21 LEU 133 HD21 LEU 133 7.296 18.703 17.419 1066 HD22 LEU 133 HD22 LEU 133 8.047 20.110 16.666 1067 HD23 LEU 133 HD23 LEU 133 6.336 19.773 16.396 1068 H LEU 134 H LEU 134 6.586 21.858 21.165 1069 HA LEU 134 HA LEU 134 3.914 22.620 21.646 1070 HB2 LEU 134 HB2 LEU 134 6.054 21.562 23.473 1071 HB3 LEU 134 HB3 LEU 134 4.425 21.903 24.025 1072 HG LEU 134 HG LEU 134 5.123 19.945 21.837 1073 HD11 LEU 134 HD11 LEU 134 4.313 19.475 24.705 1074 HD12 LEU 134 HD12 LEU 134 5.909 19.175 24.014 1075 HD13 LEU 134 HD13 LEU 134 4.522 18.228 23.475 1076 HD21 LEU 134 HD21 LEU 134 2.914 20.953 21.580 1077 HD22 LEU 134 HD22 LEU 134 2.516 20.516 23.241 1078 HD23 LEU 134 HD23 LEU 134 2.790 19.256 22.039 1079 H GLU 135 H GLU 135 6.984 23.968 22.792 1080 HA GLU 135 HA GLU 135 5.931 25.982 24.443 1081 HB2 GLU 135 HB2 GLU 135 8.375 26.242 22.688 1082 HB3 GLU 135 HB3 GLU 135 8.027 27.145 24.153 1083 HG2 GLU 135 HG2 GLU 135 8.262 25.117 25.472 1084 HG3 GLU 135 HG3 GLU 135 8.581 24.192 24.001 1085 H SER 136 H SER 136 6.388 25.770 20.987 1086 HA SER 136 HA SER 136 5.733 28.569 20.577 1087 HB2 SER 136 HB2 SER 136 6.380 26.461 18.508 1088 HB3 SER 136 HB3 SER 136 6.433 28.212 18.304 1089 HG SER 136 HG SER 136 8.240 26.500 19.555 1090 H LYS 137 H LYS 137 4.034 25.687 20.839 1091 HA LYS 137 HA LYS 137 2.045 26.154 18.851 1092 HB2 LYS 137 HB2 LYS 137 2.020 24.425 21.328 1093 HB3 LYS 137 HB3 LYS 137 0.695 24.498 20.189 1094 HG2 LYS 137 HG2 LYS 137 3.472 23.502 19.671 1095 HG3 LYS 137 HG3 LYS 137 1.981 22.562 19.709 1096 HD2 LYS 137 HD2 LYS 137 1.177 23.698 17.723 1097 HD3 LYS 137 HD3 LYS 137 2.599 24.744 17.713 1098 HE2 LYS 137 HE2 LYS 137 4.018 22.726 17.434 1099 HE3 LYS 137 HE3 LYS 137 2.556 21.750 17.319 1100 HZ1 LYS 137 HZ1 LYS 137 1.917 23.060 15.360 1101 HZ2 LYS 137 HZ2 LYS 137 3.398 22.259 15.130 1102 HZ3 LYS 137 HZ3 LYS 137 3.375 23.921 15.458 1103 H PHE 138 H PHE 138 2.364 26.865 22.279 1104 HA PHE 138 HA PHE 138 1.270 28.221 23.717 1105 HB2 PHE 138 HB2 PHE 138 0.927 29.789 21.161 1106 HB3 PHE 138 HB3 PHE 138 0.458 30.411 22.739 1107 HD1 PHE 138 HD1 PHE 138 2.333 30.320 24.566 1108 HD2 PHE 138 HD2 PHE 138 3.038 30.249 20.369 1109 HE1 PHE 138 HE1 PHE 138 4.623 31.134 24.943 1110 HE2 PHE 138 HE2 PHE 138 5.332 31.061 20.738 1111 HZ PHE 138 HZ PHE 138 6.127 31.504 23.025
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