NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
653608 | 6llq | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -3.259 -7.230 13.607 2 HA2 GLY 1 HA2 GLY 1 -2.018 -7.644 11.682 3 HA3 GLY 1 HA3 GLY 1 -3.518 -7.849 10.791 4 H ARG 2 H ARG 2 -0.897 -6.152 10.593 5 HA ARG 2 HA ARG 2 -2.082 -3.499 10.317 6 HB2 ARG 2 HB2 ARG 2 0.527 -4.498 10.915 7 HB3 ARG 2 HB3 ARG 2 0.625 -3.526 9.453 8 HG2 ARG 2 HG2 ARG 2 0.877 -1.835 10.904 9 HG3 ARG 2 HG3 ARG 2 -0.883 -1.915 11.000 10 HD2 ARG 2 HD2 ARG 2 -0.793 -3.220 12.990 11 HD3 ARG 2 HD3 ARG 2 0.945 -3.463 12.823 12 HE ARG 2 HE ARG 2 0.547 -0.732 12.992 13 HH11 ARG 2 HH11 ARG 2 -0.019 -3.534 14.979 14 HH12 ARG 2 HH12 ARG 2 0.157 -2.673 16.472 15 HH21 ARG 2 HH21 ARG 2 0.781 0.413 14.951 16 HH22 ARG 2 HH22 ARG 2 0.611 -0.427 16.455 17 H VAL 3 H VAL 3 -2.040 -2.320 8.373 18 HA VAL 3 HA VAL 3 -1.263 -3.675 5.923 19 HB VAL 3 HB VAL 3 -4.114 -2.764 6.336 20 HG11 VAL 3 HG11 VAL 3 -2.582 -3.741 3.960 21 HG12 VAL 3 HG12 VAL 3 -4.318 -4.024 4.078 22 HG13 VAL 3 HG13 VAL 3 -3.691 -2.376 4.093 23 HG21 VAL 3 HG21 VAL 3 -3.707 -4.841 7.513 24 HG22 VAL 3 HG22 VAL 3 -4.680 -5.151 6.075 25 HG23 VAL 3 HG23 VAL 3 -2.959 -5.539 6.076 26 H VAL 4 H VAL 4 -0.980 -2.286 4.167 27 HA VAL 4 HA VAL 4 -1.404 0.579 4.676 28 HB VAL 4 HB VAL 4 1.142 -0.632 3.589 29 HG11 VAL 4 HG11 VAL 4 0.019 2.078 3.491 30 HG12 VAL 4 HG12 VAL 4 1.687 1.986 4.058 31 HG13 VAL 4 HG13 VAL 4 1.253 1.321 2.483 32 HG21 VAL 4 HG21 VAL 4 0.755 -0.785 6.074 33 HG22 VAL 4 HG22 VAL 4 2.205 0.094 5.585 34 HG23 VAL 4 HG23 VAL 4 0.771 0.979 6.105 35 H VAL 5 H VAL 5 -2.416 1.555 3.054 36 HA VAL 5 HA VAL 5 -2.703 0.145 0.512 37 HB VAL 5 HB VAL 5 -4.103 2.678 1.363 38 HG11 VAL 5 HG11 VAL 5 -4.365 2.441 -0.940 39 HG12 VAL 5 HG12 VAL 5 -4.488 0.685 -0.842 40 HG13 VAL 5 HG13 VAL 5 -5.821 1.694 -0.281 41 HG21 VAL 5 HG21 VAL 5 -4.632 1.044 3.023 42 HG22 VAL 5 HG22 VAL 5 -6.013 1.166 1.933 43 HG23 VAL 5 HG23 VAL 5 -4.900 -0.195 1.797 44 H VAL 6 H VAL 6 -1.522 0.667 -1.197 45 HA VAL 6 HA VAL 6 -0.267 3.332 -1.283 46 HB VAL 6 HB VAL 6 0.707 0.859 -2.712 47 HG11 VAL 6 HG11 VAL 6 2.729 2.783 -2.175 48 HG12 VAL 6 HG12 VAL 6 2.110 2.241 -3.734 49 HG13 VAL 6 HG13 VAL 6 1.359 3.610 -2.915 50 HG21 VAL 6 HG21 VAL 6 2.492 0.830 -0.957 51 HG22 VAL 6 HG22 VAL 6 1.533 1.999 -0.047 52 HG23 VAL 6 HG23 VAL 6 0.885 0.392 -0.376 53 H VAL 7 H VAL 7 -0.509 4.590 -3.061 54 HA VAL 7 HA VAL 7 -2.021 3.469 -5.328 55 HB VAL 7 HB VAL 7 -3.181 5.629 -5.573 56 HG11 VAL 7 HG11 VAL 7 -3.496 4.205 -2.939 57 HG12 VAL 7 HG12 VAL 7 -4.637 5.409 -3.539 58 HG13 VAL 7 HG13 VAL 7 -4.378 3.914 -4.438 59 HG21 VAL 7 HG21 VAL 7 -1.403 6.346 -3.333 60 HG22 VAL 7 HG22 VAL 7 -2.066 7.348 -4.623 61 HG23 VAL 7 HG23 VAL 7 -3.059 6.941 -3.224 62 H THR 8 H THR 8 -1.732 4.611 -7.358 63 HA THR 8 HA THR 8 1.010 5.582 -7.629 64 HB THR 8 HB THR 8 0.440 3.830 -9.166 65 HG1 THR 8 HG1 THR 8 0.679 5.054 -11.192 66 HG21 THR 8 HG21 THR 8 -1.493 5.049 -10.857 67 HG22 THR 8 HG22 THR 8 -1.637 3.560 -9.923 68 HG23 THR 8 HG23 THR 8 -2.104 5.101 -9.203 69 H SER 9 H SER 9 -2.229 6.726 -7.666 70 HA SER 9 HA SER 9 -1.297 9.334 -8.673 71 HB2 SER 9 HB2 SER 9 -3.184 7.818 -9.896 72 HB3 SER 9 HB3 SER 9 -4.197 8.762 -8.805 73 HG SER 9 HG SER 9 -4.020 10.015 -10.572 74 H GLU 10 H GLU 10 -1.966 11.179 -7.593 75 HA GLU 10 HA GLU 10 -2.346 10.970 -4.822 76 HB2 GLU 10 HB2 GLU 10 -2.590 13.366 -4.820 77 HB3 GLU 10 HB3 GLU 10 -1.345 12.929 -5.983 78 HG2 GLU 10 HG2 GLU 10 -3.099 13.103 -7.770 79 HG3 GLU 10 HG3 GLU 10 -4.167 13.790 -6.548 80 H GLN 11 H GLN 11 -4.616 11.349 -7.469 81 HA GLN 11 HA GLN 11 -6.894 12.121 -6.088 82 HB2 GLN 11 HB2 GLN 11 -6.346 11.496 -8.674 83 HB3 GLN 11 HB3 GLN 11 -7.312 10.105 -8.202 84 HG2 GLN 11 HG2 GLN 11 -9.017 11.778 -7.338 85 HG3 GLN 11 HG3 GLN 11 -8.097 12.998 -8.218 86 HE21 GLN 11 HE21 GLN 11 -7.514 12.104 -10.541 87 HE22 GLN 11 HE22 GLN 11 -8.880 11.527 -11.427 88 H VAL 12 H VAL 12 -5.737 8.825 -6.764 89 HA VAL 12 HA VAL 12 -7.817 7.479 -5.432 90 HB VAL 12 HB VAL 12 -4.994 6.453 -5.693 91 HG11 VAL 12 HG11 VAL 12 -5.975 4.289 -5.671 92 HG12 VAL 12 HG12 VAL 12 -6.687 5.185 -4.329 93 HG13 VAL 12 HG13 VAL 12 -7.602 4.953 -5.819 94 HG21 VAL 12 HG21 VAL 12 -6.273 5.435 -7.851 95 HG22 VAL 12 HG22 VAL 12 -6.996 7.042 -7.765 96 HG23 VAL 12 HG23 VAL 12 -5.245 6.867 -7.892 97 H LYS 13 H LYS 13 -4.770 8.813 -4.305 98 HA LYS 13 HA LYS 13 -4.649 7.592 -1.790 99 HB2 LYS 13 HB2 LYS 13 -2.791 8.866 -2.789 100 HB3 LYS 13 HB3 LYS 13 -3.703 10.355 -2.579 101 HG2 LYS 13 HG2 LYS 13 -3.661 9.187 -0.054 102 HG3 LYS 13 HG3 LYS 13 -2.038 8.937 -0.704 103 HD2 LYS 13 HD2 LYS 13 -1.845 11.317 -1.180 104 HD3 LYS 13 HD3 LYS 13 -3.489 11.583 -0.593 105 HE2 LYS 13 HE2 LYS 13 -2.894 11.317 1.601 106 HE3 LYS 13 HE3 LYS 13 -1.548 10.245 1.219 107 HZ1 LYS 13 HZ1 LYS 13 -1.534 13.049 1.625 108 HZ2 LYS 13 HZ2 LYS 13 -0.225 11.987 1.469 109 HZ3 LYS 13 HZ3 LYS 13 -0.920 12.683 0.091 110 H GLU 14 H GLU 14 -6.033 10.744 -2.710 111 HA GLU 14 HA GLU 14 -6.967 11.483 -0.189 112 HB2 GLU 14 HB2 GLU 14 -8.156 12.136 -2.891 113 HB3 GLU 14 HB3 GLU 14 -8.513 12.981 -1.391 114 HG2 GLU 14 HG2 GLU 14 -6.339 13.875 -1.258 115 HG3 GLU 14 HG3 GLU 14 -5.734 12.787 -2.506 116 H GLU 15 H GLU 15 -8.470 9.514 -2.703 117 HA GLU 15 HA GLU 15 -10.999 9.285 -1.441 118 HB2 GLU 15 HB2 GLU 15 -9.725 7.366 -3.396 119 HB3 GLU 15 HB3 GLU 15 -11.439 7.509 -3.032 120 HG2 GLU 15 HG2 GLU 15 -10.532 10.064 -3.821 121 HG3 GLU 15 HG3 GLU 15 -9.899 8.895 -4.979 122 H VAL 16 H VAL 16 -8.054 7.346 -1.352 123 HA VAL 16 HA VAL 16 -9.149 5.208 0.167 124 HB VAL 16 HB VAL 16 -6.275 6.082 -0.157 125 HG11 VAL 16 HG11 VAL 16 -7.409 3.510 0.939 126 HG12 VAL 16 HG12 VAL 16 -5.704 3.820 0.611 127 HG13 VAL 16 HG13 VAL 16 -6.545 4.745 1.855 128 HG21 VAL 16 HG21 VAL 16 -7.131 3.619 -1.451 129 HG22 VAL 16 HG22 VAL 16 -7.994 5.039 -2.040 130 HG23 VAL 16 HG23 VAL 16 -6.233 4.988 -2.105 131 H ARG 17 H ARG 17 -7.071 7.959 1.068 132 HA ARG 17 HA ARG 17 -6.957 7.427 3.808 133 HB2 ARG 17 HB2 ARG 17 -6.203 9.695 4.078 134 HB3 ARG 17 HB3 ARG 17 -5.519 9.058 2.589 135 HG2 ARG 17 HG2 ARG 17 -7.262 10.228 1.310 136 HG3 ARG 17 HG3 ARG 17 -7.887 10.903 2.816 137 HD2 ARG 17 HD2 ARG 17 -5.381 11.681 3.097 138 HD3 ARG 17 HD3 ARG 17 -5.381 11.532 1.340 139 HE ARG 17 HE ARG 17 -7.634 13.006 2.123 140 HH11 ARG 17 HH11 ARG 17 -4.165 13.283 2.018 141 HH12 ARG 17 HH12 ARG 17 -4.178 15.008 1.854 142 HH21 ARG 17 HH21 ARG 17 -7.664 15.276 1.907 143 HH22 ARG 17 HH22 ARG 17 -6.168 16.141 1.792 144 H LYS 18 H LYS 18 -9.405 8.993 1.870 145 HA LYS 18 HA LYS 18 -10.847 10.122 4.064 146 HB2 LYS 18 HB2 LYS 18 -11.316 9.769 1.143 147 HB3 LYS 18 HB3 LYS 18 -12.716 10.061 2.166 148 HG2 LYS 18 HG2 LYS 18 -11.344 12.054 3.073 149 HG3 LYS 18 HG3 LYS 18 -10.381 11.842 1.608 150 HD2 LYS 18 HD2 LYS 18 -12.364 12.122 0.235 151 HD3 LYS 18 HD3 LYS 18 -13.373 12.243 1.678 152 HE2 LYS 18 HE2 LYS 18 -11.407 14.152 2.072 153 HE3 LYS 18 HE3 LYS 18 -11.767 14.266 0.350 154 HZ1 LYS 18 HZ1 LYS 18 -13.628 15.336 0.828 155 HZ2 LYS 18 HZ2 LYS 18 -14.176 14.053 1.784 156 HZ3 LYS 18 HZ3 LYS 18 -13.247 15.286 2.475 157 H LYS 19 H LYS 19 -10.996 7.108 2.261 158 HA LYS 19 HA LYS 19 -13.447 6.208 3.408 159 HB2 LYS 19 HB2 LYS 19 -11.604 5.298 1.432 160 HB3 LYS 19 HB3 LYS 19 -11.843 3.997 2.591 161 HG2 LYS 19 HG2 LYS 19 -14.393 5.033 2.053 162 HG3 LYS 19 HG3 LYS 19 -13.570 4.903 0.496 163 HD2 LYS 19 HD2 LYS 19 -12.988 2.558 1.054 164 HD3 LYS 19 HD3 LYS 19 -13.929 2.710 2.540 165 HE2 LYS 19 HE2 LYS 19 -15.692 3.579 0.630 166 HE3 LYS 19 HE3 LYS 19 -14.813 2.308 -0.219 167 HZ1 LYS 19 HZ1 LYS 19 -16.021 1.926 2.461 168 HZ2 LYS 19 HZ2 LYS 19 -16.836 1.568 1.022 169 HZ3 LYS 19 HZ3 LYS 19 -15.417 0.736 1.420 170 H PHE 20 H PHE 20 -10.027 5.653 4.130 171 HA PHE 20 HA PHE 20 -10.814 4.720 6.795 172 HB2 PHE 20 HB2 PHE 20 -8.604 3.352 5.272 173 HB3 PHE 20 HB3 PHE 20 -9.411 2.819 6.743 174 HD1 PHE 20 HD1 PHE 20 -9.328 2.621 3.189 175 HD2 PHE 20 HD2 PHE 20 -11.871 2.169 6.573 176 HE1 PHE 20 HE1 PHE 20 -10.877 1.267 1.840 177 HE2 PHE 20 HE2 PHE 20 -13.423 0.813 5.229 178 HZ PHE 20 HZ PHE 20 -12.927 0.359 2.860 179 HA PRO 21 HA PRO 21 -7.543 7.980 6.978 180 HB2 PRO 21 HB2 PRO 21 -8.667 9.297 9.069 181 HB3 PRO 21 HB3 PRO 21 -9.125 9.595 7.389 182 HG2 PRO 21 HG2 PRO 21 -10.493 7.917 9.456 183 HG3 PRO 21 HG3 PRO 21 -11.200 9.043 8.283 184 HD2 PRO 21 HD2 PRO 21 -11.193 6.362 7.906 185 HD3 PRO 21 HD3 PRO 21 -11.090 7.515 6.560 186 H GLN 22 H GLN 22 -9.048 5.938 9.407 187 HA GLN 22 HA GLN 22 -7.086 6.335 11.426 188 HB2 GLN 22 HB2 GLN 22 -9.301 4.388 10.960 189 HB3 GLN 22 HB3 GLN 22 -8.082 3.999 12.167 190 HG2 GLN 22 HG2 GLN 22 -8.557 6.260 13.187 191 HG3 GLN 22 HG3 GLN 22 -9.956 6.343 12.116 192 HE21 GLN 22 HE21 GLN 22 -11.524 4.583 12.288 193 HE22 GLN 22 HE22 GLN 22 -11.802 3.867 13.835 194 H VAL 23 H VAL 23 -7.295 4.304 8.623 195 HA VAL 23 HA VAL 23 -5.183 2.521 9.468 196 HB VAL 23 HB VAL 23 -7.191 2.109 7.776 197 HG11 VAL 23 HG11 VAL 23 -6.792 2.518 5.561 198 HG12 VAL 23 HG12 VAL 23 -5.982 3.911 6.277 199 HG13 VAL 23 HG13 VAL 23 -5.040 2.512 5.761 200 HG21 VAL 23 HG21 VAL 23 -5.332 0.558 8.660 201 HG22 VAL 23 HG22 VAL 23 -6.147 0.119 7.159 202 HG23 VAL 23 HG23 VAL 23 -4.548 0.861 7.109 203 H GLU 24 H GLU 24 -3.323 2.172 7.866 204 HA GLU 24 HA GLU 24 -1.945 4.701 7.597 205 HB2 GLU 24 HB2 GLU 24 -1.177 1.822 7.437 206 HB3 GLU 24 HB3 GLU 24 -0.140 3.006 6.653 207 HG2 GLU 24 HG2 GLU 24 0.844 3.334 8.603 208 HG3 GLU 24 HG3 GLU 24 -0.657 4.055 9.182 209 H VAL 25 H VAL 25 -1.674 5.828 5.780 210 HA VAL 25 HA VAL 25 -2.179 4.503 3.202 211 HB VAL 25 HB VAL 25 -4.190 5.752 3.737 212 HG11 VAL 25 HG11 VAL 25 -2.560 8.275 3.808 213 HG12 VAL 25 HG12 VAL 25 -4.244 8.040 4.276 214 HG13 VAL 25 HG13 VAL 25 -2.951 7.366 5.268 215 HG21 VAL 25 HG21 VAL 25 -2.649 6.051 1.427 216 HG22 VAL 25 HG22 VAL 25 -4.383 6.324 1.596 217 HG23 VAL 25 HG23 VAL 25 -3.256 7.665 1.796 218 H ARG 26 H ARG 26 -0.570 4.778 1.809 219 HA ARG 26 HA ARG 26 1.019 7.235 1.902 220 HB2 ARG 26 HB2 ARG 26 2.185 4.445 1.935 221 HB3 ARG 26 HB3 ARG 26 3.112 5.919 1.690 222 HG2 ARG 26 HG2 ARG 26 1.444 5.524 4.146 223 HG3 ARG 26 HG3 ARG 26 3.081 4.876 4.026 224 HD2 ARG 26 HD2 ARG 26 4.049 6.941 4.063 225 HD3 ARG 26 HD3 ARG 26 2.668 7.721 3.292 226 HE ARG 26 HE ARG 26 1.810 8.155 5.365 227 HH11 ARG 26 HH11 ARG 26 4.245 5.683 5.646 228 HH12 ARG 26 HH12 ARG 26 4.220 5.672 7.378 229 HH21 ARG 26 HH21 ARG 26 1.768 8.150 7.645 230 HH22 ARG 26 HH22 ARG 26 2.810 7.075 8.515 231 H VAL 27 H VAL 27 0.967 8.088 -0.060 232 HA VAL 27 HA VAL 27 0.470 6.386 -2.376 233 HB VAL 27 HB VAL 27 -0.909 8.348 -2.250 234 HG11 VAL 27 HG11 VAL 27 0.888 10.484 -2.675 235 HG12 VAL 27 HG12 VAL 27 -0.170 10.208 -1.291 236 HG13 VAL 27 HG13 VAL 27 1.476 9.576 -1.282 237 HG21 VAL 27 HG21 VAL 27 0.471 7.610 -4.452 238 HG22 VAL 27 HG22 VAL 27 -0.774 8.860 -4.442 239 HG23 VAL 27 HG23 VAL 27 0.929 9.310 -4.339 240 H VAL 28 H VAL 28 1.978 5.839 -3.816 241 HA VAL 28 HA VAL 28 4.559 7.264 -3.740 242 HB VAL 28 HB VAL 28 5.724 5.227 -4.207 243 HG11 VAL 28 HG11 VAL 28 5.288 5.590 -1.870 244 HG12 VAL 28 HG12 VAL 28 3.696 4.843 -2.008 245 HG13 VAL 28 HG13 VAL 28 5.150 3.865 -2.211 246 HG21 VAL 28 HG21 VAL 28 3.028 4.250 -4.877 247 HG22 VAL 28 HG22 VAL 28 4.595 3.827 -5.567 248 HG23 VAL 28 HG23 VAL 28 4.073 3.094 -4.051 249 H THR 29 H THR 29 5.548 7.740 -5.670 250 HA THR 29 HA THR 29 4.044 7.080 -8.117 251 HB THR 29 HB THR 29 4.658 9.280 -9.035 252 HG1 THR 29 HG1 THR 29 6.512 9.669 -7.734 253 HG21 THR 29 HG21 THR 29 3.373 9.944 -6.433 254 HG22 THR 29 HG22 THR 29 2.903 10.396 -8.071 255 HG23 THR 29 HG23 THR 29 2.577 8.768 -7.478 256 H THR 30 H THR 30 7.159 7.707 -6.629 257 HA THR 30 HA THR 30 8.466 6.565 -9.013 258 HB THR 30 HB THR 30 10.324 8.003 -7.349 259 HG1 THR 30 HG1 THR 30 9.385 10.119 -7.860 260 HG21 THR 30 HG21 THR 30 9.553 9.021 -10.020 261 HG22 THR 30 HG22 THR 30 11.150 8.675 -9.357 262 HG23 THR 30 HG23 THR 30 10.135 7.358 -9.947 263 H GLU 31 H GLU 31 10.692 5.625 -8.420 264 HA GLU 31 HA GLU 31 10.285 3.498 -6.605 265 HB2 GLU 31 HB2 GLU 31 12.864 4.478 -7.842 266 HB3 GLU 31 HB3 GLU 31 12.631 2.920 -7.062 267 HG2 GLU 31 HG2 GLU 31 11.066 2.250 -8.766 268 HG3 GLU 31 HG3 GLU 31 11.149 3.844 -9.512 269 H GLU 32 H GLU 32 11.962 6.577 -6.355 270 HA GLU 32 HA GLU 32 13.247 6.037 -3.880 271 HB2 GLU 32 HB2 GLU 32 13.087 8.209 -5.738 272 HB3 GLU 32 HB3 GLU 32 12.778 8.825 -4.120 273 HG2 GLU 32 HG2 GLU 32 14.871 8.207 -3.344 274 HG3 GLU 32 HG3 GLU 32 15.116 7.038 -4.640 275 H ASP 33 H ASP 33 10.134 7.404 -4.770 276 HA ASP 33 HA ASP 33 9.395 8.395 -2.244 277 HB2 ASP 33 HB2 ASP 33 8.112 7.923 -4.809 278 HB3 ASP 33 HB3 ASP 33 7.027 7.575 -3.465 279 H ALA 34 H ALA 34 8.526 5.317 -3.822 280 HA ALA 34 HA ALA 34 7.120 4.203 -1.691 281 HB1 ALA 34 HB1 ALA 34 6.989 2.341 -2.963 282 HB2 ALA 34 HB2 ALA 34 7.627 3.414 -4.208 283 HB3 ALA 34 HB3 ALA 34 8.714 2.338 -3.330 284 H LYS 35 H LYS 35 10.575 4.098 -2.445 285 HA LYS 35 HA LYS 35 11.433 2.258 -0.569 286 HB2 LYS 35 HB2 LYS 35 12.844 3.342 -2.326 287 HB3 LYS 35 HB3 LYS 35 12.889 4.794 -1.334 288 HG2 LYS 35 HG2 LYS 35 14.234 3.816 0.270 289 HG3 LYS 35 HG3 LYS 35 13.778 2.177 -0.200 290 HD2 LYS 35 HD2 LYS 35 14.981 2.546 -2.359 291 HD3 LYS 35 HD3 LYS 35 15.554 4.086 -1.716 292 HE2 LYS 35 HE2 LYS 35 16.894 3.065 -0.120 293 HE3 LYS 35 HE3 LYS 35 15.984 1.556 -0.177 294 HZ1 LYS 35 HZ1 LYS 35 17.405 2.418 -2.591 295 HZ2 LYS 35 HZ2 LYS 35 18.312 1.772 -1.318 296 HZ3 LYS 35 HZ3 LYS 35 17.082 0.854 -2.030 297 H GLN 36 H GLN 36 11.215 5.793 -0.152 298 HA GLN 36 HA GLN 36 11.934 5.837 2.554 299 HB2 GLN 36 HB2 GLN 36 10.370 7.721 0.812 300 HB3 GLN 36 HB3 GLN 36 10.593 8.049 2.526 301 HG2 GLN 36 HG2 GLN 36 12.566 8.938 2.101 302 HG3 GLN 36 HG3 GLN 36 13.124 7.398 1.449 303 HE21 GLN 36 HE21 GLN 36 14.325 8.168 -0.210 304 HE22 GLN 36 HE22 GLN 36 13.674 9.036 -1.554 305 H VAL 37 H VAL 37 8.874 5.231 0.979 306 HA VAL 37 HA VAL 37 7.237 5.516 3.286 307 HB VAL 37 HB VAL 37 6.733 3.963 0.744 308 HG11 VAL 37 HG11 VAL 37 4.339 4.171 1.405 309 HG12 VAL 37 HG12 VAL 37 5.288 3.128 2.464 310 HG13 VAL 37 HG13 VAL 37 4.874 4.763 2.977 311 HG21 VAL 37 HG21 VAL 37 6.481 5.956 -0.206 312 HG22 VAL 37 HG22 VAL 37 5.132 6.263 0.887 313 HG23 VAL 37 HG23 VAL 37 6.761 6.772 1.332 314 H VAL 38 H VAL 38 8.518 2.652 1.597 315 HA VAL 38 HA VAL 38 7.503 0.670 3.221 316 HB VAL 38 HB VAL 38 10.262 0.666 1.991 317 HG11 VAL 38 HG11 VAL 38 9.322 -1.874 1.821 318 HG12 VAL 38 HG12 VAL 38 10.364 -1.280 3.113 319 HG13 VAL 38 HG13 VAL 38 8.618 -1.352 3.352 320 HG21 VAL 38 HG21 VAL 38 7.712 0.831 0.747 321 HG22 VAL 38 HG22 VAL 38 9.296 0.662 -0.008 322 HG23 VAL 38 HG23 VAL 38 8.375 -0.774 0.438 323 H LYS 39 H LYS 39 10.519 2.497 3.643 324 HA LYS 39 HA LYS 39 11.365 1.165 5.982 325 HB2 LYS 39 HB2 LYS 39 11.991 3.927 4.929 326 HB3 LYS 39 HB3 LYS 39 12.795 3.205 6.317 327 HG2 LYS 39 HG2 LYS 39 13.540 1.347 4.848 328 HG3 LYS 39 HG3 LYS 39 12.850 2.216 3.475 329 HD2 LYS 39 HD2 LYS 39 14.912 3.103 3.301 330 HD3 LYS 39 HD3 LYS 39 14.371 4.157 4.610 331 HE2 LYS 39 HE2 LYS 39 15.441 1.560 5.471 332 HE3 LYS 39 HE3 LYS 39 16.610 2.617 4.682 333 HZ1 LYS 39 HZ1 LYS 39 16.785 3.731 6.569 334 HZ2 LYS 39 HZ2 LYS 39 15.155 4.175 6.471 335 HZ3 LYS 39 HZ3 LYS 39 15.600 2.770 7.301 336 H GLU 40 H GLU 40 9.386 4.044 5.461 337 HA GLU 40 HA GLU 40 9.219 4.900 8.123 338 HB2 GLU 40 HB2 GLU 40 8.354 5.930 5.820 339 HB3 GLU 40 HB3 GLU 40 6.843 5.211 6.358 340 HG2 GLU 40 HG2 GLU 40 6.861 6.507 8.364 341 HG3 GLU 40 HG3 GLU 40 8.482 7.106 8.019 342 H VAL 41 H VAL 41 7.021 2.809 6.260 343 HA VAL 41 HA VAL 41 5.302 2.266 8.458 344 HB VAL 41 HB VAL 41 4.374 0.469 7.044 345 HG11 VAL 41 HG11 VAL 41 3.488 2.670 6.738 346 HG12 VAL 41 HG12 VAL 41 4.839 3.127 5.701 347 HG13 VAL 41 HG13 VAL 41 3.667 1.931 5.147 348 HG21 VAL 41 HG21 VAL 41 6.369 -0.347 5.981 349 HG22 VAL 41 HG22 VAL 41 5.257 0.216 4.733 350 HG23 VAL 41 HG23 VAL 41 6.639 1.208 5.195 351 H GLN 42 H GLN 42 8.123 0.663 7.099 352 HA GLN 42 HA GLN 42 7.958 -1.786 8.407 353 HB2 GLN 42 HB2 GLN 42 10.138 -0.169 7.217 354 HB3 GLN 42 HB3 GLN 42 10.625 -1.432 8.339 355 HG2 GLN 42 HG2 GLN 42 8.773 -1.981 6.048 356 HG3 GLN 42 HG3 GLN 42 10.526 -2.015 5.864 357 HE21 GLN 42 HE21 GLN 42 11.462 -3.901 6.158 358 HE22 GLN 42 HE22 GLN 42 10.820 -5.229 7.057 359 H LYS 43 H LYS 43 9.208 1.312 9.529 360 HA LYS 43 HA LYS 43 10.204 0.270 12.007 361 HB2 LYS 43 HB2 LYS 43 10.866 2.446 10.695 362 HB3 LYS 43 HB3 LYS 43 9.544 3.163 11.606 363 HG2 LYS 43 HG2 LYS 43 10.649 2.374 13.695 364 HG3 LYS 43 HG3 LYS 43 12.022 1.863 12.711 365 HD2 LYS 43 HD2 LYS 43 12.836 3.924 12.926 366 HD3 LYS 43 HD3 LYS 43 11.496 4.489 11.924 367 HE2 LYS 43 HE2 LYS 43 11.367 4.177 14.920 368 HE3 LYS 43 HE3 LYS 43 11.733 5.692 14.096 369 HZ1 LYS 43 HZ1 LYS 43 9.558 6.036 14.014 370 HZ2 LYS 43 HZ2 LYS 43 9.430 4.751 12.921 371 HZ3 LYS 43 HZ3 LYS 43 9.211 4.478 14.577 372 H LYS 44 H LYS 44 7.234 1.797 10.920 373 HA LYS 44 HA LYS 44 6.123 2.236 13.494 374 HB2 LYS 44 HB2 LYS 44 5.269 2.479 10.717 375 HB3 LYS 44 HB3 LYS 44 3.973 1.922 11.768 376 HG2 LYS 44 HG2 LYS 44 4.540 3.872 13.277 377 HG3 LYS 44 HG3 LYS 44 5.549 4.470 11.958 378 HD2 LYS 44 HD2 LYS 44 3.656 4.623 10.496 379 HD3 LYS 44 HD3 LYS 44 2.621 3.809 11.671 380 HE2 LYS 44 HE2 LYS 44 3.320 5.792 13.221 381 HE3 LYS 44 HE3 LYS 44 3.709 6.592 11.699 382 HZ1 LYS 44 HZ1 LYS 44 1.305 6.672 12.807 383 HZ2 LYS 44 HZ2 LYS 44 1.549 6.770 11.135 384 HZ3 LYS 44 HZ3 LYS 44 1.110 5.296 11.841 385 H GLY 45 H GLY 45 6.069 -0.469 11.247 386 HA2 GLY 45 HA2 GLY 45 5.921 -2.697 12.256 387 HA3 GLY 45 HA3 GLY 45 4.688 -2.048 13.327 388 H VAL 46 H VAL 46 5.333 -2.405 9.839 389 HA VAL 46 HA VAL 46 2.481 -2.591 9.308 390 HB VAL 46 HB VAL 46 4.095 -1.335 7.812 391 HG11 VAL 46 HG11 VAL 46 5.693 -3.426 7.924 392 HG12 VAL 46 HG12 VAL 46 4.753 -3.936 6.521 393 HG13 VAL 46 HG13 VAL 46 5.627 -2.404 6.488 394 HG21 VAL 46 HG21 VAL 46 2.543 -3.488 6.390 395 HG22 VAL 46 HG22 VAL 46 1.779 -2.115 7.191 396 HG23 VAL 46 HG23 VAL 46 2.880 -1.846 5.839 397 H GLN 47 H GLN 47 1.608 -4.358 8.008 398 HA GLN 47 HA GLN 47 3.034 -6.902 8.389 399 HB2 GLN 47 HB2 GLN 47 0.911 -6.220 9.921 400 HB3 GLN 47 HB3 GLN 47 0.084 -6.984 8.570 401 HG2 GLN 47 HG2 GLN 47 0.519 -8.965 9.435 402 HG3 GLN 47 HG3 GLN 47 2.246 -8.653 9.271 403 HE21 GLN 47 HE21 GLN 47 0.095 -9.697 11.381 404 HE22 GLN 47 HE22 GLN 47 0.763 -9.109 12.862 405 H LYS 48 H LYS 48 0.559 -5.113 6.622 406 HA LYS 48 HA LYS 48 1.084 -6.834 4.297 407 HB2 LYS 48 HB2 LYS 48 -1.238 -7.018 5.676 408 HB3 LYS 48 HB3 LYS 48 -1.653 -5.739 4.543 409 HG2 LYS 48 HG2 LYS 48 -2.263 -7.476 3.252 410 HG3 LYS 48 HG3 LYS 48 -0.546 -7.494 2.846 411 HD2 LYS 48 HD2 LYS 48 -0.775 -9.683 3.414 412 HD3 LYS 48 HD3 LYS 48 -0.468 -9.031 5.026 413 HE2 LYS 48 HE2 LYS 48 -2.586 -9.401 5.722 414 HE3 LYS 48 HE3 LYS 48 -3.282 -9.012 4.150 415 HZ1 LYS 48 HZ1 LYS 48 -3.510 -11.170 3.790 416 HZ2 LYS 48 HZ2 LYS 48 -1.831 -11.366 3.851 417 HZ3 LYS 48 HZ3 LYS 48 -2.755 -11.544 5.257 418 H VAL 49 H VAL 49 0.103 -5.756 2.257 419 HA VAL 49 HA VAL 49 0.014 -2.873 2.300 420 HB VAL 49 HB VAL 49 2.409 -3.131 2.282 421 HG11 VAL 49 HG11 VAL 49 2.358 -5.489 1.417 422 HG12 VAL 49 HG12 VAL 49 2.153 -4.815 -0.200 423 HG13 VAL 49 HG13 VAL 49 3.613 -4.463 0.724 424 HG21 VAL 49 HG21 VAL 49 1.553 -2.543 -0.546 425 HG22 VAL 49 HG22 VAL 49 1.326 -1.424 0.798 426 HG23 VAL 49 HG23 VAL 49 2.953 -1.901 0.313 427 H VAL 50 H VAL 50 -1.530 -2.343 0.915 428 HA VAL 50 HA VAL 50 -1.991 -4.080 -1.421 429 HB VAL 50 HB VAL 50 -4.067 -2.156 -0.475 430 HG11 VAL 50 HG11 VAL 50 -4.562 -4.955 -1.365 431 HG12 VAL 50 HG12 VAL 50 -5.534 -3.504 -1.610 432 HG13 VAL 50 HG13 VAL 50 -4.069 -3.755 -2.560 433 HG21 VAL 50 HG21 VAL 50 -3.414 -3.229 1.586 434 HG22 VAL 50 HG22 VAL 50 -4.963 -3.884 1.056 435 HG23 VAL 50 HG23 VAL 50 -3.485 -4.817 0.822 436 H VAL 51 H VAL 51 -1.000 -3.197 -3.128 437 HA VAL 51 HA VAL 51 -0.974 -0.296 -3.463 438 HB VAL 51 HB VAL 51 0.586 -0.686 -5.301 439 HG11 VAL 51 HG11 VAL 51 1.872 -2.459 -3.401 440 HG12 VAL 51 HG12 VAL 51 2.280 -0.805 -3.857 441 HG13 VAL 51 HG13 VAL 51 1.069 -1.103 -2.609 442 HG21 VAL 51 HG21 VAL 51 1.266 -3.386 -5.056 443 HG22 VAL 51 HG22 VAL 51 -0.494 -3.351 -5.159 444 HG23 VAL 51 HG23 VAL 51 0.478 -2.602 -6.425 445 H VAL 52 H VAL 52 -1.925 0.775 -5.157 446 HA VAL 52 HA VAL 52 -3.710 -0.825 -6.874 447 HB VAL 52 HB VAL 52 -4.268 2.005 -6.003 448 HG11 VAL 52 HG11 VAL 52 -6.652 1.034 -6.569 449 HG12 VAL 52 HG12 VAL 52 -5.594 1.657 -7.835 450 HG13 VAL 52 HG13 VAL 52 -5.710 -0.081 -7.560 451 HG21 VAL 52 HG21 VAL 52 -4.488 -0.423 -4.468 452 HG22 VAL 52 HG22 VAL 52 -4.785 1.245 -3.977 453 HG23 VAL 52 HG23 VAL 52 -6.075 0.302 -4.724 454 H GLY 53 H GLY 53 -3.506 -0.562 -9.011 455 HA2 GLY 53 HA2 GLY 53 -2.866 0.305 -11.042 456 HA3 GLY 53 HA3 GLY 53 -2.755 1.874 -10.257 457 H VAL 54 H VAL 54 -0.888 -0.437 -8.673 458 HA VAL 54 HA VAL 54 1.546 0.721 -9.812 459 HB VAL 54 HB VAL 54 1.234 -1.011 -7.357 460 HG11 VAL 54 HG11 VAL 54 3.499 -0.179 -6.813 461 HG12 VAL 54 HG12 VAL 54 3.460 -1.163 -8.276 462 HG13 VAL 54 HG13 VAL 54 3.566 0.594 -8.396 463 HG21 VAL 54 HG21 VAL 54 1.380 0.991 -6.053 464 HG22 VAL 54 HG22 VAL 54 1.651 1.971 -7.494 465 HG23 VAL 54 HG23 VAL 54 0.085 1.204 -7.231 466 H SER 55 H SER 55 3.238 -0.525 -10.612 467 HA SER 55 HA SER 55 2.491 -2.876 -12.006 468 HB2 SER 55 HB2 SER 55 5.322 -2.735 -11.874 469 HB3 SER 55 HB3 SER 55 4.274 -2.248 -13.206 470 HG SER 55 HG SER 55 4.855 -0.289 -12.765 471 H GLU 56 H GLU 56 3.019 -5.014 -11.670 472 HA GLU 56 HA GLU 56 3.276 -5.851 -8.967 473 HB2 GLU 56 HB2 GLU 56 3.338 -8.131 -9.903 474 HB3 GLU 56 HB3 GLU 56 2.017 -7.178 -10.566 475 HG2 GLU 56 HG2 GLU 56 3.795 -6.669 -12.447 476 HG3 GLU 56 HG3 GLU 56 4.473 -8.195 -11.882 477 H LYS 57 H LYS 57 5.496 -5.689 -11.701 478 HA LYS 57 HA LYS 57 7.636 -7.112 -10.598 479 HB2 LYS 57 HB2 LYS 57 9.009 -6.074 -12.266 480 HB3 LYS 57 HB3 LYS 57 7.430 -6.372 -12.981 481 HG2 LYS 57 HG2 LYS 57 6.903 -3.945 -12.338 482 HG3 LYS 57 HG3 LYS 57 8.647 -3.772 -12.133 483 HD2 LYS 57 HD2 LYS 57 8.302 -3.111 -14.337 484 HD3 LYS 57 HD3 LYS 57 8.800 -4.797 -14.497 485 HE2 LYS 57 HE2 LYS 57 6.664 -5.510 -15.028 486 HE3 LYS 57 HE3 LYS 57 5.899 -4.114 -14.272 487 HZ1 LYS 57 HZ1 LYS 57 6.893 -4.435 -16.959 488 HZ2 LYS 57 HZ2 LYS 57 5.716 -3.377 -16.359 489 HZ3 LYS 57 HZ3 LYS 57 7.356 -2.981 -16.230 490 H VAL 58 H VAL 58 6.597 -3.793 -10.158 491 HA VAL 58 HA VAL 58 8.961 -2.913 -8.823 492 HB VAL 58 HB VAL 58 6.178 -1.739 -8.727 493 HG11 VAL 58 HG11 VAL 58 7.518 0.370 -8.218 494 HG12 VAL 58 HG12 VAL 58 7.368 -0.819 -6.923 495 HG13 VAL 58 HG13 VAL 58 8.862 -0.712 -7.853 496 HG21 VAL 58 HG21 VAL 58 8.507 -0.969 -10.482 497 HG22 VAL 58 HG22 VAL 58 7.127 -1.933 -11.010 498 HG23 VAL 58 HG23 VAL 58 6.890 -0.263 -10.493 499 H VAL 59 H VAL 59 5.677 -3.636 -7.625 500 HA VAL 59 HA VAL 59 6.312 -3.440 -4.895 501 HB VAL 59 HB VAL 59 4.231 -4.722 -4.498 502 HG11 VAL 59 HG11 VAL 59 3.531 -2.595 -4.644 503 HG12 VAL 59 HG12 VAL 59 4.443 -2.293 -6.122 504 HG13 VAL 59 HG13 VAL 59 2.872 -3.090 -6.203 505 HG21 VAL 59 HG21 VAL 59 4.175 -6.323 -6.213 506 HG22 VAL 59 HG22 VAL 59 2.857 -5.214 -6.595 507 HG23 VAL 59 HG23 VAL 59 4.383 -5.106 -7.473 508 H GLN 60 H GLN 60 6.418 -6.150 -7.143 509 HA GLN 60 HA GLN 60 6.765 -8.239 -5.336 510 HB2 GLN 60 HB2 GLN 60 6.374 -8.537 -7.757 511 HB3 GLN 60 HB3 GLN 60 8.002 -7.958 -8.080 512 HG2 GLN 60 HG2 GLN 60 8.064 -10.315 -8.214 513 HG3 GLN 60 HG3 GLN 60 8.857 -9.865 -6.705 514 HE21 GLN 60 HE21 GLN 60 8.128 -12.375 -6.837 515 HE22 GLN 60 HE22 GLN 60 6.709 -12.695 -5.906 516 H LYS 61 H LYS 61 9.241 -6.263 -6.959 517 HA LYS 61 HA LYS 61 11.488 -7.459 -5.827 518 HB2 LYS 61 HB2 LYS 61 10.919 -5.153 -7.402 519 HB3 LYS 61 HB3 LYS 61 11.978 -4.663 -6.086 520 HG2 LYS 61 HG2 LYS 61 13.641 -6.236 -6.732 521 HG3 LYS 61 HG3 LYS 61 12.551 -6.998 -7.893 522 HD2 LYS 61 HD2 LYS 61 13.506 -5.662 -9.414 523 HD3 LYS 61 HD3 LYS 61 12.550 -4.367 -8.690 524 HE2 LYS 61 HE2 LYS 61 15.366 -5.137 -7.928 525 HE3 LYS 61 HE3 LYS 61 14.901 -3.733 -8.888 526 HZ1 LYS 61 HZ1 LYS 61 14.661 -4.183 -6.015 527 HZ2 LYS 61 HZ2 LYS 61 15.023 -2.764 -6.861 528 HZ3 LYS 61 HZ3 LYS 61 13.423 -3.302 -6.757 529 H VAL 62 H VAL 62 10.053 -4.353 -4.806 530 HA VAL 62 HA VAL 62 11.474 -4.017 -2.467 531 HB VAL 62 HB VAL 62 8.600 -3.227 -2.963 532 HG11 VAL 62 HG11 VAL 62 8.630 -2.606 -0.820 533 HG12 VAL 62 HG12 VAL 62 10.369 -2.871 -0.685 534 HG13 VAL 62 HG13 VAL 62 9.756 -1.342 -1.315 535 HG21 VAL 62 HG21 VAL 62 11.190 -2.156 -3.871 536 HG22 VAL 62 HG22 VAL 62 9.587 -2.022 -4.595 537 HG23 VAL 62 HG23 VAL 62 10.042 -0.965 -3.259 538 H LYS 63 H LYS 63 8.360 -5.675 -2.898 539 HA LYS 63 HA LYS 63 7.803 -6.322 -0.275 540 HB2 LYS 63 HB2 LYS 63 6.167 -6.791 -1.932 541 HB3 LYS 63 HB3 LYS 63 7.269 -7.824 -2.833 542 HG2 LYS 63 HG2 LYS 63 6.862 -8.757 -0.117 543 HG3 LYS 63 HG3 LYS 63 5.355 -8.647 -1.029 544 HD2 LYS 63 HD2 LYS 63 6.558 -9.901 -2.882 545 HD3 LYS 63 HD3 LYS 63 7.831 -10.221 -1.702 546 HE2 LYS 63 HE2 LYS 63 4.956 -10.878 -1.139 547 HE3 LYS 63 HE3 LYS 63 6.003 -11.993 -2.017 548 HZ1 LYS 63 HZ1 LYS 63 6.063 -11.210 0.796 549 HZ2 LYS 63 HZ2 LYS 63 6.364 -12.716 0.086 550 HZ3 LYS 63 HZ3 LYS 63 7.550 -11.510 0.047 551 H GLN 64 H GLN 64 9.905 -8.016 -2.562 552 HA GLN 64 HA GLN 64 10.474 -10.252 -0.967 553 HB2 GLN 64 HB2 GLN 64 10.999 -9.963 -3.418 554 HB3 GLN 64 HB3 GLN 64 12.364 -8.964 -2.937 555 HG2 GLN 64 HG2 GLN 64 12.571 -11.328 -1.447 556 HG3 GLN 64 HG3 GLN 64 12.162 -11.814 -3.092 557 HE21 GLN 64 HE21 GLN 64 14.632 -11.009 -1.027 558 HE22 GLN 64 HE22 GLN 64 15.870 -10.696 -2.190 559 H GLU 65 H GLU 65 12.141 -7.133 -1.268 560 HA GLU 65 HA GLU 65 14.072 -7.838 0.760 561 HB2 GLU 65 HB2 GLU 65 14.887 -5.520 0.446 562 HB3 GLU 65 HB3 GLU 65 14.794 -6.421 -1.061 563 HG2 GLU 65 HG2 GLU 65 12.897 -5.243 -1.777 564 HG3 GLU 65 HG3 GLU 65 12.592 -4.593 -0.167 565 H ALA 66 H ALA 66 10.914 -7.011 0.903 566 HA ALA 66 HA ALA 66 11.161 -5.331 3.291 567 HB1 ALA 66 HB1 ALA 66 8.693 -6.083 1.730 568 HB2 ALA 66 HB2 ALA 66 8.779 -4.924 3.056 569 HB3 ALA 66 HB3 ALA 66 9.612 -4.590 1.537 570 H ASN 67 H ASN 67 10.248 -8.523 2.249 571 HA ASN 67 HA ASN 67 9.788 -10.429 3.403 572 HB2 ASN 67 HB2 ASN 67 11.634 -9.277 4.929 573 HB3 ASN 67 HB3 ASN 67 10.279 -9.133 6.046 574 HD21 ASN 67 HD21 ASN 67 12.603 -10.669 6.482 575 HD22 ASN 67 HD22 ASN 67 12.131 -12.328 6.583 576 H VAL 68 H VAL 68 7.639 -8.957 2.692 577 HA VAL 68 HA VAL 68 5.764 -9.559 4.847 578 HB VAL 68 HB VAL 68 4.547 -7.417 4.473 579 HG11 VAL 68 HG11 VAL 68 7.377 -7.047 5.444 580 HG12 VAL 68 HG12 VAL 68 5.970 -6.083 5.889 581 HG13 VAL 68 HG13 VAL 68 6.076 -7.771 6.388 582 HG21 VAL 68 HG21 VAL 68 6.526 -7.133 2.417 583 HG22 VAL 68 HG22 VAL 68 5.099 -6.147 2.735 584 HG23 VAL 68 HG23 VAL 68 6.624 -5.774 3.537 585 H GLN 69 H GLN 69 3.435 -9.197 3.993 586 HA GLN 69 HA GLN 69 3.266 -10.603 1.455 587 HB2 GLN 69 HB2 GLN 69 1.307 -9.995 3.650 588 HB3 GLN 69 HB3 GLN 69 0.757 -10.582 2.087 589 HG2 GLN 69 HG2 GLN 69 1.589 -12.666 2.416 590 HG3 GLN 69 HG3 GLN 69 2.920 -12.097 3.422 591 HE21 GLN 69 HE21 GLN 69 -0.150 -13.494 3.370 592 HE22 GLN 69 HE22 GLN 69 -0.465 -13.466 5.069 593 H VAL 70 H VAL 70 2.928 -9.604 -0.408 594 HA VAL 70 HA VAL 70 1.891 -6.855 -0.371 595 HB VAL 70 HB VAL 70 4.092 -7.158 -1.429 596 HG11 VAL 70 HG11 VAL 70 4.566 -8.717 -2.975 597 HG12 VAL 70 HG12 VAL 70 3.117 -9.516 -2.365 598 HG13 VAL 70 HG13 VAL 70 3.026 -8.504 -3.807 599 HG21 VAL 70 HG21 VAL 70 2.694 -6.533 -3.857 600 HG22 VAL 70 HG22 VAL 70 1.859 -5.821 -2.476 601 HG23 VAL 70 HG23 VAL 70 3.562 -5.459 -2.760 602 H TYR 71 H TYR 71 0.086 -6.280 -1.480 603 HA TYR 71 HA TYR 71 -1.266 -8.352 -3.070 604 HB2 TYR 71 HB2 TYR 71 -2.232 -6.955 -0.656 605 HB3 TYR 71 HB3 TYR 71 -3.379 -7.024 -1.989 606 HD1 TYR 71 HD1 TYR 71 -1.526 -8.977 0.492 607 HD2 TYR 71 HD2 TYR 71 -4.299 -9.149 -2.731 608 HE1 TYR 71 HE1 TYR 71 -2.118 -11.277 1.132 609 HE2 TYR 71 HE2 TYR 71 -4.899 -11.448 -2.099 610 HH TYR 71 HH TYR 71 -4.809 -12.826 0.141 611 H ARG 72 H ARG 72 -2.329 -7.653 -4.874 612 HA ARG 72 HA ARG 72 -1.942 -4.825 -5.569 613 HB2 ARG 72 HB2 ARG 72 -2.071 -5.505 -7.884 614 HB3 ARG 72 HB3 ARG 72 -0.903 -6.521 -7.051 615 HG2 ARG 72 HG2 ARG 72 -3.237 -7.942 -6.792 616 HG3 ARG 72 HG3 ARG 72 -3.375 -7.237 -8.404 617 HD2 ARG 72 HD2 ARG 72 -1.378 -8.250 -9.131 618 HD3 ARG 72 HD3 ARG 72 -0.884 -8.642 -7.484 619 HE ARG 72 HE ARG 72 -3.253 -9.986 -7.904 620 HH11 ARG 72 HH11 ARG 72 -0.080 -9.926 -9.337 621 HH12 ARG 72 HH12 ARG 72 -0.131 -11.584 -9.835 622 HH21 ARG 72 HH21 ARG 72 -3.331 -12.171 -8.555 623 HH22 ARG 72 HH22 ARG 72 -1.981 -12.860 -9.390 624 H VAL 73 H VAL 73 -3.617 -3.552 -6.270 625 HA VAL 73 HA VAL 73 -6.299 -4.565 -5.682 626 HB VAL 73 HB VAL 73 -5.167 -1.792 -5.941 627 HG11 VAL 73 HG11 VAL 73 -7.503 -0.979 -5.532 628 HG12 VAL 73 HG12 VAL 73 -7.225 -1.656 -7.137 629 HG13 VAL 73 HG13 VAL 73 -8.067 -2.606 -5.913 630 HG21 VAL 73 HG21 VAL 73 -4.906 -2.314 -3.752 631 HG22 VAL 73 HG22 VAL 73 -6.595 -1.813 -3.673 632 HG23 VAL 73 HG23 VAL 73 -6.187 -3.526 -3.775 633 H THR 74 H THR 74 -7.889 -4.729 -7.172 634 HA THR 74 HA THR 74 -7.190 -4.037 -9.951 635 HB THR 74 HB THR 74 -9.367 -5.929 -9.757 636 HG1 THR 74 HG1 THR 74 -7.971 -7.669 -8.980 637 HG21 THR 74 HG21 THR 74 -7.815 -5.383 -11.704 638 HG22 THR 74 HG22 THR 74 -6.614 -6.384 -10.887 639 HG23 THR 74 HG23 THR 74 -8.143 -7.091 -11.408 640 H SER 75 H SER 75 -9.562 -3.792 -7.424 641 HA SER 75 HA SER 75 -10.938 -1.706 -8.863 642 HB2 SER 75 HB2 SER 75 -11.925 -4.135 -9.406 643 HB3 SER 75 HB3 SER 75 -12.787 -3.830 -7.898 644 HG SER 75 HG SER 75 -12.877 -2.382 -10.317 645 H ASN 76 H ASN 76 -12.702 -0.740 -7.506 646 HA ASN 76 HA ASN 76 -11.763 -0.025 -5.001 647 HB2 ASN 76 HB2 ASN 76 -14.489 0.120 -6.262 648 HB3 ASN 76 HB3 ASN 76 -14.230 0.671 -4.609 649 HD21 ASN 76 HD21 ASN 76 -13.991 1.433 -7.893 650 HD22 ASN 76 HD22 ASN 76 -13.187 2.954 -7.732 651 H ASP 77 H ASP 77 -13.973 -2.608 -5.911 652 HA ASP 77 HA ASP 77 -14.813 -3.314 -3.314 653 HB2 ASP 77 HB2 ASP 77 -14.687 -4.829 -5.915 654 HB3 ASP 77 HB3 ASP 77 -15.269 -5.582 -4.433 655 H GLU 78 H GLU 78 -11.911 -3.962 -5.096 656 HA GLU 78 HA GLU 78 -11.061 -6.173 -3.476 657 HB2 GLU 78 HB2 GLU 78 -10.088 -4.740 -5.813 658 HB3 GLU 78 HB3 GLU 78 -8.792 -5.116 -4.687 659 HG2 GLU 78 HG2 GLU 78 -8.711 -7.086 -5.715 660 HG3 GLU 78 HG3 GLU 78 -10.159 -7.476 -4.789 661 H VAL 79 H VAL 79 -10.609 -2.701 -3.467 662 HA VAL 79 HA VAL 79 -8.463 -2.609 -1.623 663 HB VAL 79 HB VAL 79 -10.554 -0.469 -2.013 664 HG11 VAL 79 HG11 VAL 79 -8.468 0.966 -1.580 665 HG12 VAL 79 HG12 VAL 79 -9.205 0.139 -0.208 666 HG13 VAL 79 HG13 VAL 79 -7.748 -0.517 -0.954 667 HG21 VAL 79 HG21 VAL 79 -8.318 0.144 -3.569 668 HG22 VAL 79 HG22 VAL 79 -8.670 -1.551 -3.907 669 HG23 VAL 79 HG23 VAL 79 -9.919 -0.328 -4.140 670 H GLU 80 H GLU 80 -11.971 -2.160 -1.190 671 HA GLU 80 HA GLU 80 -11.823 -1.896 1.632 672 HB2 GLU 80 HB2 GLU 80 -13.726 -0.978 0.531 673 HB3 GLU 80 HB3 GLU 80 -14.099 -2.509 -0.247 674 HG2 GLU 80 HG2 GLU 80 -15.655 -2.094 1.540 675 HG3 GLU 80 HG3 GLU 80 -14.638 -3.476 1.942 676 H GLN 81 H GLN 81 -12.147 -4.613 -0.539 677 HA GLN 81 HA GLN 81 -12.979 -6.509 1.409 678 HB2 GLN 81 HB2 GLN 81 -13.361 -6.921 -0.950 679 HB3 GLN 81 HB3 GLN 81 -11.632 -6.878 -1.271 680 HG2 GLN 81 HG2 GLN 81 -11.340 -8.877 0.122 681 HG3 GLN 81 HG3 GLN 81 -13.082 -8.931 0.384 682 HE21 GLN 81 HE21 GLN 81 -13.264 -10.957 -0.559 683 HE22 GLN 81 HE22 GLN 81 -13.127 -11.197 -2.264 684 H VAL 82 H VAL 82 -9.820 -5.878 -0.114 685 HA VAL 82 HA VAL 82 -8.327 -7.746 1.305 686 HB VAL 82 HB VAL 82 -7.492 -5.064 0.200 687 HG11 VAL 82 HG11 VAL 82 -5.876 -7.257 1.461 688 HG12 VAL 82 HG12 VAL 82 -5.173 -6.149 0.282 689 HG13 VAL 82 HG13 VAL 82 -5.840 -5.525 1.791 690 HG21 VAL 82 HG21 VAL 82 -8.350 -7.086 -1.243 691 HG22 VAL 82 HG22 VAL 82 -6.949 -6.143 -1.752 692 HG23 VAL 82 HG23 VAL 82 -6.722 -7.701 -0.957 693 H VAL 83 H VAL 83 -8.863 -4.307 2.058 694 HA VAL 83 HA VAL 83 -7.413 -4.315 4.480 695 HB VAL 83 HB VAL 83 -7.945 -2.237 3.312 696 HG11 VAL 83 HG11 VAL 83 -10.329 -3.144 2.756 697 HG12 VAL 83 HG12 VAL 83 -10.769 -2.357 4.272 698 HG13 VAL 83 HG13 VAL 83 -10.066 -1.412 2.959 699 HG21 VAL 83 HG21 VAL 83 -7.585 -2.364 5.829 700 HG22 VAL 83 HG22 VAL 83 -8.355 -0.904 5.207 701 HG23 VAL 83 HG23 VAL 83 -9.330 -2.155 5.978 702 H LYS 84 H LYS 84 -10.822 -4.864 3.736 703 HA LYS 84 HA LYS 84 -11.979 -4.821 6.211 704 HB2 LYS 84 HB2 LYS 84 -12.504 -6.217 3.687 705 HB3 LYS 84 HB3 LYS 84 -13.157 -7.042 5.096 706 HG2 LYS 84 HG2 LYS 84 -13.678 -4.164 5.049 707 HG3 LYS 84 HG3 LYS 84 -14.408 -5.061 3.715 708 HD2 LYS 84 HD2 LYS 84 -14.660 -6.036 6.538 709 HD3 LYS 84 HD3 LYS 84 -15.739 -4.785 5.916 710 HE2 LYS 84 HE2 LYS 84 -15.342 -7.282 4.335 711 HE3 LYS 84 HE3 LYS 84 -16.382 -7.327 5.757 712 HZ1 LYS 84 HZ1 LYS 84 -16.699 -5.612 3.358 713 HZ2 LYS 84 HZ2 LYS 84 -17.729 -6.849 3.878 714 HZ3 LYS 84 HZ3 LYS 84 -17.607 -5.418 4.772 715 H ASP 85 H ASP 85 -10.739 -7.817 4.719 716 HA ASP 85 HA ASP 85 -10.796 -9.271 7.154 717 HB2 ASP 85 HB2 ASP 85 -10.537 -9.932 4.500 718 HB3 ASP 85 HB3 ASP 85 -8.919 -10.248 5.121 719 H VAL 86 H VAL 86 -8.412 -7.270 5.598 720 HA VAL 86 HA VAL 86 -6.448 -6.399 6.370 721 HB VAL 86 HB VAL 86 -6.898 -7.909 8.942 722 HG11 VAL 86 HG11 VAL 86 -5.272 -6.616 9.865 723 HG12 VAL 86 HG12 VAL 86 -4.691 -6.623 8.200 724 HG13 VAL 86 HG13 VAL 86 -5.607 -5.244 8.808 725 HG21 VAL 86 HG21 VAL 86 -7.873 -5.142 8.235 726 HG22 VAL 86 HG22 VAL 86 -8.890 -6.576 8.371 727 HG23 VAL 86 HG23 VAL 86 -8.052 -5.952 9.791 728 H LYS 87 H LYS 87 -6.543 -9.552 8.028 729 HA LYS 87 HA LYS 87 -4.251 -10.394 6.382 730 HB2 LYS 87 HB2 LYS 87 -4.003 -9.759 9.003 731 HB3 LYS 87 HB3 LYS 87 -4.409 -11.465 9.135 732 HG2 LYS 87 HG2 LYS 87 -2.335 -10.813 7.155 733 HG3 LYS 87 HG3 LYS 87 -1.904 -10.520 8.841 734 HD2 LYS 87 HD2 LYS 87 -3.152 -13.111 7.989 735 HD3 LYS 87 HD3 LYS 87 -1.415 -12.840 7.827 736 HE2 LYS 87 HE2 LYS 87 -1.064 -13.046 10.031 737 HE3 LYS 87 HE3 LYS 87 -2.488 -12.092 10.441 738 HZ1 LYS 87 HZ1 LYS 87 -3.493 -13.966 11.003 739 HZ2 LYS 87 HZ2 LYS 87 -3.394 -14.503 9.402 740 HZ3 LYS 87 HZ3 LYS 87 -2.167 -14.890 10.501 741 H GLY 88 H GLY 88 -5.052 -11.932 5.090 742 HA2 GLY 88 HA2 GLY 88 -5.922 -14.412 6.156 743 HA3 GLY 88 HA3 GLY 88 -7.298 -13.507 5.543 744 H SER 89 H SER 89 -4.469 -15.320 4.735 745 HA SER 89 HA SER 89 -5.162 -15.085 1.880 746 HB2 SER 89 HB2 SER 89 -3.017 -14.217 1.913 747 HB3 SER 89 HB3 SER 89 -2.516 -15.228 3.269 748 HG SER 89 HG SER 89 -1.558 -16.193 1.598 749 H GLY 90 H GLY 90 -5.245 -16.952 0.642 750 HA2 GLY 90 HA2 GLY 90 -5.435 -19.434 2.213 751 HA3 GLY 90 HA3 GLY 90 -6.254 -19.131 0.688 752 H LEU 91 H LEU 91 -5.309 -19.762 -1.169 753 HA LEU 91 HA LEU 91 -2.477 -20.532 -1.101 754 HB2 LEU 91 HB2 LEU 91 -4.731 -22.291 -1.316 755 HB3 LEU 91 HB3 LEU 91 -3.787 -22.349 -2.804 756 HG LEU 91 HG LEU 91 -1.770 -22.715 -1.203 757 HD11 LEU 91 HD11 LEU 91 -2.980 -24.245 0.704 758 HD12 LEU 91 HD12 LEU 91 -2.352 -22.616 0.954 759 HD13 LEU 91 HD13 LEU 91 -4.064 -22.857 0.604 760 HD21 LEU 91 HD21 LEU 91 -3.705 -24.998 -1.383 761 HD22 LEU 91 HD22 LEU 91 -2.939 -24.332 -2.824 762 HD23 LEU 91 HD23 LEU 91 -1.948 -25.015 -1.534 763 H GLU 92 H GLU 92 -1.874 -21.236 -3.506 764 HA GLU 92 HA GLU 92 -2.041 -18.898 -5.061 765 HB2 GLU 92 HB2 GLU 92 -1.099 -21.694 -5.623 766 HB3 GLU 92 HB3 GLU 92 -1.142 -20.487 -6.900 767 HG2 GLU 92 HG2 GLU 92 0.967 -20.116 -6.221 768 HG3 GLU 92 HG3 GLU 92 0.166 -19.092 -5.031 769 H HIS 93 H HIS 93 -2.815 -18.871 -7.366 770 HA HIS 93 HA HIS 93 -5.572 -19.147 -7.491 771 HB2 HIS 93 HB2 HIS 93 -3.943 -17.810 -9.009 772 HB3 HIS 93 HB3 HIS 93 -3.878 -19.285 -9.969 773 HD1 HIS 93 HD1 HIS 93 -5.844 -19.781 -11.480 774 HD2 HIS 93 HD2 HIS 93 -6.512 -16.549 -8.955 775 HE1 HIS 93 HE1 HIS 93 -7.973 -18.719 -12.295 776 H HIS 94 H HIS 94 -3.084 -21.262 -8.908 777 HA HIS 94 HA HIS 94 -4.985 -23.179 -9.845 778 HB2 HIS 94 HB2 HIS 94 -2.082 -22.825 -9.912 779 HB3 HIS 94 HB3 HIS 94 -2.568 -24.508 -9.731 780 HD1 HIS 94 HD1 HIS 94 -4.193 -25.442 -11.649 781 HD2 HIS 94 HD2 HIS 94 -2.314 -21.822 -12.445 782 HE1 HIS 94 HE1 HIS 94 -4.398 -25.109 -14.133 783 H HIS 95 H HIS 95 -5.904 -24.807 -8.779 784 HA HIS 95 HA HIS 95 -5.012 -25.355 -6.043 785 HB2 HIS 95 HB2 HIS 95 -7.591 -26.015 -7.476 786 HB3 HIS 95 HB3 HIS 95 -7.223 -26.510 -5.826 787 HD1 HIS 95 HD1 HIS 95 -9.330 -24.267 -7.225 788 HD2 HIS 95 HD2 HIS 95 -6.190 -23.735 -4.558 789 HE1 HIS 95 HE1 HIS 95 -9.798 -22.087 -6.061 790 H HIS 96 H HIS 96 -5.815 -27.826 -5.517 791 HA HIS 96 HA HIS 96 -5.249 -29.774 -7.488 792 HB2 HIS 96 HB2 HIS 96 -2.951 -28.694 -6.969 793 HB3 HIS 96 HB3 HIS 96 -3.052 -29.572 -5.446 794 HD1 HIS 96 HD1 HIS 96 -4.008 -30.817 -8.903 795 HD2 HIS 96 HD2 HIS 96 -1.292 -31.602 -5.859 796 HE1 HIS 96 HE1 HIS 96 -2.794 -32.903 -9.607 797 H HIS 97 H HIS 97 -6.862 -31.038 -6.763 798 HA HIS 97 HA HIS 97 -6.509 -32.302 -4.159 799 HB2 HIS 97 HB2 HIS 97 -8.969 -30.773 -4.989 800 HB3 HIS 97 HB3 HIS 97 -9.028 -32.038 -3.765 801 HD1 HIS 97 HD1 HIS 97 -7.303 -28.721 -4.404 802 HD2 HIS 97 HD2 HIS 97 -8.374 -31.210 -1.255 803 HE1 HIS 97 HE1 HIS 97 -6.766 -27.430 -2.314 804 H HIS 98 H HIS 98 -6.117 -34.285 -5.016 805 HA HIS 98 HA HIS 98 -8.120 -35.397 -6.861 806 HB2 HIS 98 HB2 HIS 98 -5.370 -35.354 -7.085 807 HB3 HIS 98 HB3 HIS 98 -5.686 -36.972 -6.465 808 HD1 HIS 98 HD1 HIS 98 -5.235 -38.270 -8.578 809 HD2 HIS 98 HD2 HIS 98 -7.995 -35.213 -9.121 810 HE1 HIS 98 HE1 HIS 98 -6.181 -38.620 -10.882 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -4.951 -8.548 10.878 2 HA2 GLY 1 HA2 GLY 1 -2.586 -7.855 12.475 3 HA3 GLY 1 HA3 GLY 1 -2.569 -8.528 10.852 4 H ARG 2 H ARG 2 -0.957 -6.720 10.641 5 HA ARG 2 HA ARG 2 -2.158 -4.078 10.358 6 HB2 ARG 2 HB2 ARG 2 0.593 -5.148 10.583 7 HB3 ARG 2 HB3 ARG 2 0.401 -3.721 9.573 8 HG2 ARG 2 HG2 ARG 2 0.480 -2.482 11.402 9 HG3 ARG 2 HG3 ARG 2 -1.053 -3.199 11.907 10 HD2 ARG 2 HD2 ARG 2 1.549 -4.596 12.418 11 HD3 ARG 2 HD3 ARG 2 0.973 -3.331 13.503 12 HE ARG 2 HE ARG 2 -0.044 -6.004 13.264 13 HH11 ARG 2 HH11 ARG 2 -0.810 -2.732 14.174 14 HH12 ARG 2 HH12 ARG 2 -2.092 -3.192 15.245 15 HH21 ARG 2 HH21 ARG 2 -1.730 -6.622 14.673 16 HH22 ARG 2 HH22 ARG 2 -2.612 -5.404 15.530 17 H VAL 3 H VAL 3 -2.109 -2.886 8.420 18 HA VAL 3 HA VAL 3 -1.279 -4.170 5.963 19 HB VAL 3 HB VAL 3 -3.523 -5.125 6.298 20 HG11 VAL 3 HG11 VAL 3 -5.481 -3.827 6.444 21 HG12 VAL 3 HG12 VAL 3 -4.352 -3.094 7.582 22 HG13 VAL 3 HG13 VAL 3 -4.628 -2.346 6.010 23 HG21 VAL 3 HG21 VAL 3 -2.494 -4.131 4.019 24 HG22 VAL 3 HG22 VAL 3 -4.027 -4.998 4.099 25 HG23 VAL 3 HG23 VAL 3 -4.011 -3.235 4.086 26 H VAL 4 H VAL 4 -1.145 -2.743 4.204 27 HA VAL 4 HA VAL 4 -1.761 0.077 4.761 28 HB VAL 4 HB VAL 4 0.862 -0.967 3.686 29 HG11 VAL 4 HG11 VAL 4 -0.257 1.820 3.825 30 HG12 VAL 4 HG12 VAL 4 1.473 1.497 3.716 31 HG13 VAL 4 HG13 VAL 4 0.394 0.969 2.425 32 HG21 VAL 4 HG21 VAL 4 1.860 -0.113 5.648 33 HG22 VAL 4 HG22 VAL 4 0.396 0.756 6.107 34 HG23 VAL 4 HG23 VAL 4 0.436 -1.005 6.186 35 H VAL 5 H VAL 5 -2.550 1.210 3.066 36 HA VAL 5 HA VAL 5 -2.870 -0.251 0.536 37 HB VAL 5 HB VAL 5 -4.434 2.137 1.522 38 HG11 VAL 5 HG11 VAL 5 -4.558 0.436 -0.929 39 HG12 VAL 5 HG12 VAL 5 -6.032 1.165 -0.294 40 HG13 VAL 5 HG13 VAL 5 -4.678 2.189 -0.771 41 HG21 VAL 5 HG21 VAL 5 -4.817 -0.792 1.862 42 HG22 VAL 5 HG22 VAL 5 -5.193 0.534 2.964 43 HG23 VAL 5 HG23 VAL 5 -6.243 0.209 1.586 44 H VAL 6 H VAL 6 -2.039 0.510 -1.320 45 HA VAL 6 HA VAL 6 -0.940 3.240 -1.346 46 HB VAL 6 HB VAL 6 0.429 0.801 -2.488 47 HG11 VAL 6 HG11 VAL 6 0.875 3.714 -2.759 48 HG12 VAL 6 HG12 VAL 6 2.304 2.700 -2.551 49 HG13 VAL 6 HG13 VAL 6 1.200 2.405 -3.895 50 HG21 VAL 6 HG21 VAL 6 2.012 2.193 -0.580 51 HG22 VAL 6 HG22 VAL 6 0.439 1.860 0.144 52 HG23 VAL 6 HG23 VAL 6 1.405 0.538 -0.511 53 H VAL 7 H VAL 7 -1.009 4.320 -3.308 54 HA VAL 7 HA VAL 7 -2.328 2.937 -5.543 55 HB VAL 7 HB VAL 7 -3.634 5.026 -5.986 56 HG11 VAL 7 HG11 VAL 7 -5.119 4.627 -3.820 57 HG12 VAL 7 HG12 VAL 7 -5.023 3.442 -5.123 58 HG13 VAL 7 HG13 VAL 7 -4.055 3.230 -3.663 59 HG21 VAL 7 HG21 VAL 7 -2.122 6.452 -4.540 60 HG22 VAL 7 HG22 VAL 7 -3.855 6.719 -4.351 61 HG23 VAL 7 HG23 VAL 7 -2.971 5.777 -3.149 62 H THR 8 H THR 8 -2.265 4.385 -7.564 63 HA THR 8 HA THR 8 0.492 5.315 -7.859 64 HB THR 8 HB THR 8 -0.545 5.469 -10.370 65 HG1 THR 8 HG1 THR 8 -1.800 3.214 -9.164 66 HG21 THR 8 HG21 THR 8 0.749 3.598 -10.852 67 HG22 THR 8 HG22 THR 8 1.470 4.187 -9.354 68 HG23 THR 8 HG23 THR 8 0.364 2.814 -9.319 69 H SER 9 H SER 9 -2.703 6.527 -7.621 70 HA SER 9 HA SER 9 -1.770 9.186 -8.488 71 HB2 SER 9 HB2 SER 9 -3.771 7.821 -9.692 72 HB3 SER 9 HB3 SER 9 -4.687 8.669 -8.446 73 HG SER 9 HG SER 9 -2.989 9.820 -10.405 74 H GLU 10 H GLU 10 -2.308 10.956 -7.227 75 HA GLU 10 HA GLU 10 -2.555 10.496 -4.450 76 HB2 GLU 10 HB2 GLU 10 -2.609 12.905 -4.223 77 HB3 GLU 10 HB3 GLU 10 -1.407 12.457 -5.425 78 HG2 GLU 10 HG2 GLU 10 -3.314 12.872 -7.126 79 HG3 GLU 10 HG3 GLU 10 -4.060 13.771 -5.806 80 H GLN 11 H GLN 11 -4.869 11.215 -6.963 81 HA GLN 11 HA GLN 11 -7.023 12.092 -5.427 82 HB2 GLN 11 HB2 GLN 11 -6.757 10.735 -8.073 83 HB3 GLN 11 HB3 GLN 11 -8.357 10.872 -7.356 84 HG2 GLN 11 HG2 GLN 11 -7.134 13.405 -7.147 85 HG3 GLN 11 HG3 GLN 11 -6.857 12.821 -8.787 86 HE21 GLN 11 HE21 GLN 11 -8.833 11.890 -9.860 87 HE22 GLN 11 HE22 GLN 11 -10.319 12.741 -9.629 88 H VAL 12 H VAL 12 -6.205 8.782 -6.453 89 HA VAL 12 HA VAL 12 -8.339 7.490 -5.180 90 HB VAL 12 HB VAL 12 -5.597 6.303 -5.591 91 HG11 VAL 12 HG11 VAL 12 -7.143 4.955 -4.264 92 HG12 VAL 12 HG12 VAL 12 -8.346 5.061 -5.550 93 HG13 VAL 12 HG13 VAL 12 -6.828 4.207 -5.829 94 HG21 VAL 12 HG21 VAL 12 -6.828 5.503 -7.781 95 HG22 VAL 12 HG22 VAL 12 -7.731 7.000 -7.544 96 HG23 VAL 12 HG23 VAL 12 -5.976 7.046 -7.722 97 H LYS 13 H LYS 13 -5.103 8.316 -4.023 98 HA LYS 13 HA LYS 13 -5.157 6.949 -1.591 99 HB2 LYS 13 HB2 LYS 13 -3.170 8.085 -2.635 100 HB3 LYS 13 HB3 LYS 13 -3.833 9.619 -2.086 101 HG2 LYS 13 HG2 LYS 13 -3.830 8.058 0.192 102 HG3 LYS 13 HG3 LYS 13 -2.333 7.614 -0.629 103 HD2 LYS 13 HD2 LYS 13 -1.720 9.427 0.708 104 HD3 LYS 13 HD3 LYS 13 -1.962 10.145 -0.886 105 HE2 LYS 13 HE2 LYS 13 -3.573 11.471 -0.114 106 HE3 LYS 13 HE3 LYS 13 -4.430 10.104 0.596 107 HZ1 LYS 13 HZ1 LYS 13 -3.886 11.583 2.342 108 HZ2 LYS 13 HZ2 LYS 13 -2.836 10.266 2.494 109 HZ3 LYS 13 HZ3 LYS 13 -2.278 11.722 1.837 110 H GLU 14 H GLU 14 -6.145 10.284 -2.337 111 HA GLU 14 HA GLU 14 -6.876 11.074 0.226 112 HB2 GLU 14 HB2 GLU 14 -8.070 11.874 -2.433 113 HB3 GLU 14 HB3 GLU 14 -8.382 12.702 -0.915 114 HG2 GLU 14 HG2 GLU 14 -6.292 13.625 -0.822 115 HG3 GLU 14 HG3 GLU 14 -5.564 12.343 -1.788 116 H GLU 15 H GLU 15 -8.800 9.438 -2.262 117 HA GLU 15 HA GLU 15 -11.223 9.408 -0.816 118 HB2 GLU 15 HB2 GLU 15 -11.590 8.962 -3.037 119 HB3 GLU 15 HB3 GLU 15 -10.141 7.977 -3.190 120 HG2 GLU 15 HG2 GLU 15 -12.173 6.655 -3.439 121 HG3 GLU 15 HG3 GLU 15 -11.228 6.145 -2.041 122 H VAL 16 H VAL 16 -8.476 7.220 -0.920 123 HA VAL 16 HA VAL 16 -9.704 5.121 0.562 124 HB VAL 16 HB VAL 16 -6.773 5.730 0.154 125 HG11 VAL 16 HG11 VAL 16 -7.116 4.303 2.091 126 HG12 VAL 16 HG12 VAL 16 -8.129 3.221 1.136 127 HG13 VAL 16 HG13 VAL 16 -6.412 3.379 0.763 128 HG21 VAL 16 HG21 VAL 16 -8.016 3.468 -1.245 129 HG22 VAL 16 HG22 VAL 16 -8.587 5.056 -1.756 130 HG23 VAL 16 HG23 VAL 16 -6.867 4.673 -1.828 131 H ARG 17 H ARG 17 -7.608 7.841 1.419 132 HA ARG 17 HA ARG 17 -7.278 7.148 4.137 133 HB2 ARG 17 HB2 ARG 17 -5.875 8.785 2.838 134 HB3 ARG 17 HB3 ARG 17 -7.204 9.929 2.962 135 HG2 ARG 17 HG2 ARG 17 -6.602 8.917 5.561 136 HG3 ARG 17 HG3 ARG 17 -5.117 9.479 4.793 137 HD2 ARG 17 HD2 ARG 17 -5.881 11.651 4.602 138 HD3 ARG 17 HD3 ARG 17 -7.575 11.169 4.672 139 HE ARG 17 HE ARG 17 -7.485 11.415 6.934 140 HH11 ARG 17 HH11 ARG 17 -4.244 10.977 5.741 141 HH12 ARG 17 HH12 ARG 17 -3.502 11.236 7.284 142 HH21 ARG 17 HH21 ARG 17 -6.519 11.757 8.972 143 HH22 ARG 17 HH22 ARG 17 -4.796 11.679 9.121 144 H LYS 18 H LYS 18 -9.782 8.839 2.395 145 HA LYS 18 HA LYS 18 -11.046 9.967 4.698 146 HB2 LYS 18 HB2 LYS 18 -11.227 10.519 2.085 147 HB3 LYS 18 HB3 LYS 18 -12.616 9.449 2.227 148 HG2 LYS 18 HG2 LYS 18 -13.246 10.964 4.242 149 HG3 LYS 18 HG3 LYS 18 -12.145 12.116 3.480 150 HD2 LYS 18 HD2 LYS 18 -13.447 11.858 1.369 151 HD3 LYS 18 HD3 LYS 18 -14.600 10.858 2.257 152 HE2 LYS 18 HE2 LYS 18 -15.338 13.200 2.052 153 HE3 LYS 18 HE3 LYS 18 -15.120 12.704 3.729 154 HZ1 LYS 18 HZ1 LYS 18 -14.185 14.962 2.936 155 HZ2 LYS 18 HZ2 LYS 18 -13.246 13.996 3.959 156 HZ3 LYS 18 HZ3 LYS 18 -12.919 14.037 2.299 157 H LYS 19 H LYS 19 -11.506 7.049 2.765 158 HA LYS 19 HA LYS 19 -13.883 6.192 4.042 159 HB2 LYS 19 HB2 LYS 19 -12.082 5.204 2.021 160 HB3 LYS 19 HB3 LYS 19 -12.499 3.911 3.139 161 HG2 LYS 19 HG2 LYS 19 -14.569 5.657 1.840 162 HG3 LYS 19 HG3 LYS 19 -13.972 4.167 1.105 163 HD2 LYS 19 HD2 LYS 19 -14.606 3.014 3.275 164 HD3 LYS 19 HD3 LYS 19 -15.463 4.498 3.698 165 HE2 LYS 19 HE2 LYS 19 -16.685 4.257 1.492 166 HE3 LYS 19 HE3 LYS 19 -15.990 2.640 1.390 167 HZ1 LYS 19 HZ1 LYS 19 -18.253 2.707 2.356 168 HZ2 LYS 19 HZ2 LYS 19 -17.105 2.011 3.386 169 HZ3 LYS 19 HZ3 LYS 19 -17.644 3.591 3.663 170 H PHE 20 H PHE 20 -10.458 5.527 4.615 171 HA PHE 20 HA PHE 20 -11.143 4.610 7.305 172 HB2 PHE 20 HB2 PHE 20 -9.181 3.078 5.599 173 HB3 PHE 20 HB3 PHE 20 -9.832 2.624 7.171 174 HD1 PHE 20 HD1 PHE 20 -10.158 2.280 3.663 175 HD2 PHE 20 HD2 PHE 20 -12.373 2.216 7.297 176 HE1 PHE 20 HE1 PHE 20 -11.945 1.007 2.547 177 HE2 PHE 20 HE2 PHE 20 -14.163 0.942 6.189 178 HZ PHE 20 HZ PHE 20 -13.950 0.336 3.812 179 HA PRO 21 HA PRO 21 -7.629 7.612 7.259 180 HB2 PRO 21 HB2 PRO 21 -8.520 9.023 9.401 181 HB3 PRO 21 HB3 PRO 21 -9.054 9.347 7.748 182 HG2 PRO 21 HG2 PRO 21 -10.420 7.790 9.909 183 HG3 PRO 21 HG3 PRO 21 -11.107 8.962 8.769 184 HD2 PRO 21 HD2 PRO 21 -11.330 6.286 8.419 185 HD3 PRO 21 HD3 PRO 21 -11.220 7.422 7.058 186 H GLN 22 H GLN 22 -9.092 5.590 9.698 187 HA GLN 22 HA GLN 22 -7.065 5.887 11.669 188 HB2 GLN 22 HB2 GLN 22 -9.499 4.921 11.844 189 HB3 GLN 22 HB3 GLN 22 -8.715 3.401 11.435 190 HG2 GLN 22 HG2 GLN 22 -8.980 3.701 13.850 191 HG3 GLN 22 HG3 GLN 22 -7.289 3.567 13.371 192 HE21 GLN 22 HE21 GLN 22 -9.807 5.799 14.356 193 HE22 GLN 22 HE22 GLN 22 -8.748 7.031 14.943 194 H VAL 23 H VAL 23 -7.396 3.949 8.813 195 HA VAL 23 HA VAL 23 -5.282 2.113 9.540 196 HB VAL 23 HB VAL 23 -7.332 1.668 7.981 197 HG11 VAL 23 HG11 VAL 23 -6.249 3.640 6.493 198 HG12 VAL 23 HG12 VAL 23 -5.519 2.229 5.728 199 HG13 VAL 23 HG13 VAL 23 -7.274 2.365 5.837 200 HG21 VAL 23 HG21 VAL 23 -6.241 -0.203 7.125 201 HG22 VAL 23 HG22 VAL 23 -4.707 0.650 6.953 202 HG23 VAL 23 HG23 VAL 23 -5.289 0.200 8.555 203 H GLU 24 H GLU 24 -3.434 1.795 7.988 204 HA GLU 24 HA GLU 24 -2.098 4.334 7.626 205 HB2 GLU 24 HB2 GLU 24 -1.163 1.495 7.177 206 HB3 GLU 24 HB3 GLU 24 -0.145 2.917 6.999 207 HG2 GLU 24 HG2 GLU 24 -1.572 2.556 9.572 208 HG3 GLU 24 HG3 GLU 24 -0.210 1.492 9.224 209 H VAL 25 H VAL 25 -1.856 5.402 5.770 210 HA VAL 25 HA VAL 25 -2.346 3.980 3.243 211 HB VAL 25 HB VAL 25 -4.377 5.213 3.747 212 HG11 VAL 25 HG11 VAL 25 -2.684 7.058 4.924 213 HG12 VAL 25 HG12 VAL 25 -3.304 7.897 3.502 214 HG13 VAL 25 HG13 VAL 25 -4.424 7.232 4.691 215 HG21 VAL 25 HG21 VAL 25 -3.075 6.910 1.672 216 HG22 VAL 25 HG22 VAL 25 -3.202 5.172 1.397 217 HG23 VAL 25 HG23 VAL 25 -4.658 6.132 1.663 218 H ARG 26 H ARG 26 -0.760 4.247 1.820 219 HA ARG 26 HA ARG 26 0.798 6.725 1.840 220 HB2 ARG 26 HB2 ARG 26 2.006 3.954 1.902 221 HB3 ARG 26 HB3 ARG 26 2.905 5.444 1.646 222 HG2 ARG 26 HG2 ARG 26 1.278 4.922 4.117 223 HG3 ARG 26 HG3 ARG 26 2.982 4.490 3.970 224 HD2 ARG 26 HD2 ARG 26 3.679 6.651 4.048 225 HD3 ARG 26 HD3 ARG 26 2.234 7.258 3.243 226 HE ARG 26 HE ARG 26 1.349 7.670 5.298 227 HH11 ARG 26 HH11 ARG 26 3.812 5.233 5.630 228 HH12 ARG 26 HH12 ARG 26 3.694 5.163 7.357 229 HH21 ARG 26 HH21 ARG 26 1.182 7.587 7.572 230 HH22 ARG 26 HH22 ARG 26 2.197 6.502 8.460 231 H VAL 27 H VAL 27 0.730 7.537 -0.139 232 HA VAL 27 HA VAL 27 0.213 5.785 -2.413 233 HB VAL 27 HB VAL 27 -1.174 7.734 -2.333 234 HG11 VAL 27 HG11 VAL 27 0.093 9.190 -0.932 235 HG12 VAL 27 HG12 VAL 27 1.402 9.281 -2.111 236 HG13 VAL 27 HG13 VAL 27 -0.158 10.021 -2.468 237 HG21 VAL 27 HG21 VAL 27 -1.048 8.134 -4.533 238 HG22 VAL 27 HG22 VAL 27 0.596 8.761 -4.419 239 HG23 VAL 27 HG23 VAL 27 0.321 7.022 -4.512 240 H VAL 28 H VAL 28 1.659 5.308 -3.960 241 HA VAL 28 HA VAL 28 4.247 6.718 -3.919 242 HB VAL 28 HB VAL 28 5.429 4.681 -4.345 243 HG11 VAL 28 HG11 VAL 28 4.888 3.368 -2.296 244 HG12 VAL 28 HG12 VAL 28 5.057 5.101 -2.017 245 HG13 VAL 28 HG13 VAL 28 3.452 4.373 -2.091 246 HG21 VAL 28 HG21 VAL 28 2.729 3.646 -4.915 247 HG22 VAL 28 HG22 VAL 28 4.282 3.234 -5.643 248 HG23 VAL 28 HG23 VAL 28 3.820 2.532 -4.092 249 H THR 29 H THR 29 5.151 7.216 -5.867 250 HA THR 29 HA THR 29 3.660 6.405 -8.277 251 HB THR 29 HB THR 29 4.342 8.659 -9.235 252 HG1 THR 29 HG1 THR 29 5.328 10.041 -7.960 253 HG21 THR 29 HG21 THR 29 2.565 9.363 -7.016 254 HG22 THR 29 HG22 THR 29 2.274 9.399 -8.755 255 HG23 THR 29 HG23 THR 29 2.102 7.887 -7.863 256 H THR 30 H THR 30 6.750 7.255 -6.847 257 HA THR 30 HA THR 30 8.096 6.138 -9.222 258 HB THR 30 HB THR 30 9.840 7.724 -7.527 259 HG1 THR 30 HG1 THR 30 8.804 9.750 -8.286 260 HG21 THR 30 HG21 THR 30 10.076 6.922 -9.971 261 HG22 THR 30 HG22 THR 30 9.074 8.317 -10.367 262 HG23 THR 30 HG23 THR 30 10.628 8.547 -9.566 263 H GLU 31 H GLU 31 10.365 5.309 -8.641 264 HA GLU 31 HA GLU 31 10.071 3.199 -6.777 265 HB2 GLU 31 HB2 GLU 31 12.666 4.192 -7.957 266 HB3 GLU 31 HB3 GLU 31 12.313 2.578 -7.357 267 HG2 GLU 31 HG2 GLU 31 11.730 1.969 -9.395 268 HG3 GLU 31 HG3 GLU 31 10.409 3.135 -9.353 269 H GLU 32 H GLU 32 11.780 6.289 -6.675 270 HA GLU 32 HA GLU 32 13.089 5.860 -4.207 271 HB2 GLU 32 HB2 GLU 32 13.047 7.864 -6.144 272 HB3 GLU 32 HB3 GLU 32 12.421 8.644 -4.698 273 HG2 GLU 32 HG2 GLU 32 15.025 7.146 -4.885 274 HG3 GLU 32 HG3 GLU 32 14.842 8.899 -4.919 275 H ASP 33 H ASP 33 9.955 7.235 -5.056 276 HA ASP 33 HA ASP 33 9.260 8.241 -2.532 277 HB2 ASP 33 HB2 ASP 33 7.703 7.365 -4.937 278 HB3 ASP 33 HB3 ASP 33 6.849 7.748 -3.444 279 H ALA 34 H ALA 34 8.374 5.131 -4.036 280 HA ALA 34 HA ALA 34 7.002 4.037 -1.885 281 HB1 ALA 34 HB1 ALA 34 6.800 2.283 -3.241 282 HB2 ALA 34 HB2 ALA 34 7.782 3.176 -4.403 283 HB3 ALA 34 HB3 ALA 34 8.546 2.035 -3.296 284 H LYS 35 H LYS 35 10.465 4.003 -2.598 285 HA LYS 35 HA LYS 35 11.337 2.231 -0.655 286 HB2 LYS 35 HB2 LYS 35 12.527 4.443 -2.191 287 HB3 LYS 35 HB3 LYS 35 13.344 4.084 -0.675 288 HG2 LYS 35 HG2 LYS 35 12.856 1.612 -1.924 289 HG3 LYS 35 HG3 LYS 35 13.474 2.700 -3.170 290 HD2 LYS 35 HD2 LYS 35 15.507 2.930 -2.153 291 HD3 LYS 35 HD3 LYS 35 14.845 2.688 -0.534 292 HE2 LYS 35 HE2 LYS 35 15.645 0.613 -0.629 293 HE3 LYS 35 HE3 LYS 35 14.402 0.274 -1.832 294 HZ1 LYS 35 HZ1 LYS 35 17.038 1.400 -2.567 295 HZ2 LYS 35 HZ2 LYS 35 16.772 -0.267 -2.463 296 HZ3 LYS 35 HZ3 LYS 35 15.899 0.661 -3.574 297 H GLN 36 H GLN 36 11.089 5.779 -0.370 298 HA GLN 36 HA GLN 36 11.799 5.964 2.319 299 HB2 GLN 36 HB2 GLN 36 10.134 7.695 0.515 300 HB3 GLN 36 HB3 GLN 36 10.334 8.102 2.214 301 HG2 GLN 36 HG2 GLN 36 12.909 7.616 1.369 302 HG3 GLN 36 HG3 GLN 36 12.167 8.428 -0.008 303 HE21 GLN 36 HE21 GLN 36 12.899 10.442 0.076 304 HE22 GLN 36 HE22 GLN 36 12.816 11.484 1.451 305 H VAL 37 H VAL 37 8.730 5.194 0.816 306 HA VAL 37 HA VAL 37 7.145 5.460 3.167 307 HB VAL 37 HB VAL 37 6.623 3.897 0.636 308 HG11 VAL 37 HG11 VAL 37 4.752 4.637 2.883 309 HG12 VAL 37 HG12 VAL 37 4.266 3.919 1.348 310 HG13 VAL 37 HG13 VAL 37 5.292 3.012 2.460 311 HG21 VAL 37 HG21 VAL 37 6.381 6.716 1.374 312 HG22 VAL 37 HG22 VAL 37 6.437 5.961 -0.218 313 HG23 VAL 37 HG23 VAL 37 4.915 6.032 0.670 314 H VAL 38 H VAL 38 8.543 2.652 1.485 315 HA VAL 38 HA VAL 38 7.606 0.620 3.091 316 HB VAL 38 HB VAL 38 10.366 0.786 1.873 317 HG11 VAL 38 HG11 VAL 38 9.925 -1.774 1.769 318 HG12 VAL 38 HG12 VAL 38 10.476 -1.047 3.279 319 HG13 VAL 38 HG13 VAL 38 8.772 -1.446 3.063 320 HG21 VAL 38 HG21 VAL 38 7.777 0.662 0.666 321 HG22 VAL 38 HG22 VAL 38 9.361 0.703 -0.106 322 HG23 VAL 38 HG23 VAL 38 8.642 -0.841 0.348 323 H LYS 39 H LYS 39 10.431 2.690 3.606 324 HA LYS 39 HA LYS 39 11.309 1.367 5.965 325 HB2 LYS 39 HB2 LYS 39 12.497 3.101 4.326 326 HB3 LYS 39 HB3 LYS 39 11.930 4.248 5.533 327 HG2 LYS 39 HG2 LYS 39 13.216 3.266 7.230 328 HG3 LYS 39 HG3 LYS 39 13.505 1.807 6.280 329 HD2 LYS 39 HD2 LYS 39 15.514 2.903 6.036 330 HD3 LYS 39 HD3 LYS 39 14.640 3.477 4.614 331 HE2 LYS 39 HE2 LYS 39 14.966 5.563 5.302 332 HE3 LYS 39 HE3 LYS 39 13.974 5.220 6.719 333 HZ1 LYS 39 HZ1 LYS 39 15.807 4.831 8.022 334 HZ2 LYS 39 HZ2 LYS 39 16.812 4.449 6.715 335 HZ3 LYS 39 HZ3 LYS 39 16.389 6.059 7.013 336 H GLU 40 H GLU 40 9.296 4.213 5.358 337 HA GLU 40 HA GLU 40 9.023 5.113 7.981 338 HB2 GLU 40 HB2 GLU 40 7.996 5.832 5.512 339 HB3 GLU 40 HB3 GLU 40 6.569 5.351 6.419 340 HG2 GLU 40 HG2 GLU 40 6.880 7.004 8.026 341 HG3 GLU 40 HG3 GLU 40 8.570 7.244 7.586 342 H VAL 41 H VAL 41 6.979 2.835 6.166 343 HA VAL 41 HA VAL 41 5.221 2.298 8.328 344 HB VAL 41 HB VAL 41 4.482 0.353 6.991 345 HG11 VAL 41 HG11 VAL 41 3.491 2.517 6.562 346 HG12 VAL 41 HG12 VAL 41 4.804 2.931 5.459 347 HG13 VAL 41 HG13 VAL 41 3.678 1.638 5.044 348 HG21 VAL 41 HG21 VAL 41 5.464 0.052 4.726 349 HG22 VAL 41 HG22 VAL 41 6.749 1.172 5.178 350 HG23 VAL 41 HG23 VAL 41 6.571 -0.358 6.036 351 H GLN 42 H GLN 42 8.190 0.801 7.176 352 HA GLN 42 HA GLN 42 8.136 -1.576 8.606 353 HB2 GLN 42 HB2 GLN 42 10.308 0.172 7.548 354 HB3 GLN 42 HB3 GLN 42 10.748 -1.124 8.653 355 HG2 GLN 42 HG2 GLN 42 9.062 -1.642 6.233 356 HG3 GLN 42 HG3 GLN 42 10.822 -1.592 6.142 357 HE21 GLN 42 HE21 GLN 42 8.217 -3.562 6.544 358 HE22 GLN 42 HE22 GLN 42 8.989 -4.909 7.302 359 H LYS 43 H LYS 43 9.129 1.650 9.637 360 HA LYS 43 HA LYS 43 10.006 0.781 12.227 361 HB2 LYS 43 HB2 LYS 43 10.915 2.796 11.095 362 HB3 LYS 43 HB3 LYS 43 9.346 3.571 11.266 363 HG2 LYS 43 HG2 LYS 43 9.544 3.449 13.696 364 HG3 LYS 43 HG3 LYS 43 11.117 2.664 13.528 365 HD2 LYS 43 HD2 LYS 43 12.169 4.593 12.986 366 HD3 LYS 43 HD3 LYS 43 10.785 5.218 12.086 367 HE2 LYS 43 HE2 LYS 43 9.711 5.949 14.055 368 HE3 LYS 43 HE3 LYS 43 10.794 5.016 15.085 369 HZ1 LYS 43 HZ1 LYS 43 11.067 7.662 14.318 370 HZ2 LYS 43 HZ2 LYS 43 12.178 6.725 15.184 371 HZ3 LYS 43 HZ3 LYS 43 12.282 6.818 13.498 372 H LYS 44 H LYS 44 7.060 2.117 10.863 373 HA LYS 44 HA LYS 44 5.758 2.659 13.321 374 HB2 LYS 44 HB2 LYS 44 5.212 3.121 10.656 375 HB3 LYS 44 HB3 LYS 44 3.994 1.933 11.102 376 HG2 LYS 44 HG2 LYS 44 3.005 4.030 11.466 377 HG3 LYS 44 HG3 LYS 44 3.445 3.431 13.067 378 HD2 LYS 44 HD2 LYS 44 5.152 4.956 13.315 379 HD3 LYS 44 HD3 LYS 44 5.379 5.144 11.575 380 HE2 LYS 44 HE2 LYS 44 2.874 6.088 11.819 381 HE3 LYS 44 HE3 LYS 44 3.508 6.507 13.410 382 HZ1 LYS 44 HZ1 LYS 44 4.564 7.348 10.771 383 HZ2 LYS 44 HZ2 LYS 44 3.920 8.332 11.988 384 HZ3 LYS 44 HZ3 LYS 44 5.412 7.568 12.218 385 H GLY 45 H GLY 45 5.907 -0.175 11.228 386 HA2 GLY 45 HA2 GLY 45 5.806 -2.356 12.326 387 HA3 GLY 45 HA3 GLY 45 4.549 -1.698 13.363 388 H VAL 46 H VAL 46 5.246 -2.306 9.927 389 HA VAL 46 HA VAL 46 2.378 -2.696 9.459 390 HB VAL 46 HB VAL 46 3.649 -1.167 7.949 391 HG11 VAL 46 HG11 VAL 46 4.822 -3.166 6.273 392 HG12 VAL 46 HG12 VAL 46 5.583 -1.773 7.042 393 HG13 VAL 46 HG13 VAL 46 5.477 -3.308 7.905 394 HG21 VAL 46 HG21 VAL 46 2.619 -1.948 5.923 395 HG22 VAL 46 HG22 VAL 46 2.541 -3.596 6.546 396 HG23 VAL 46 HG23 VAL 46 1.554 -2.329 7.277 397 H GLN 47 H GLN 47 1.621 -4.544 8.305 398 HA GLN 47 HA GLN 47 3.409 -6.878 8.488 399 HB2 GLN 47 HB2 GLN 47 1.691 -6.934 10.244 400 HB3 GLN 47 HB3 GLN 47 0.434 -6.796 9.022 401 HG2 GLN 47 HG2 GLN 47 1.608 -8.956 8.071 402 HG3 GLN 47 HG3 GLN 47 2.135 -9.116 9.745 403 HE21 GLN 47 HE21 GLN 47 0.895 -10.493 10.779 404 HE22 GLN 47 HE22 GLN 47 -0.822 -10.622 10.646 405 H LYS 48 H LYS 48 0.843 -5.252 6.743 406 HA LYS 48 HA LYS 48 1.321 -7.063 4.467 407 HB2 LYS 48 HB2 LYS 48 -1.046 -6.854 5.768 408 HB3 LYS 48 HB3 LYS 48 -1.243 -5.590 4.561 409 HG2 LYS 48 HG2 LYS 48 -0.249 -7.725 3.116 410 HG3 LYS 48 HG3 LYS 48 -1.356 -8.469 4.271 411 HD2 LYS 48 HD2 LYS 48 -2.411 -6.038 3.042 412 HD3 LYS 48 HD3 LYS 48 -2.070 -7.323 1.882 413 HE2 LYS 48 HE2 LYS 48 -3.719 -7.650 4.386 414 HE3 LYS 48 HE3 LYS 48 -4.381 -7.390 2.773 415 HZ1 LYS 48 HZ1 LYS 48 -4.204 -9.543 2.359 416 HZ2 LYS 48 HZ2 LYS 48 -2.549 -9.531 2.708 417 HZ3 LYS 48 HZ3 LYS 48 -3.672 -9.804 3.943 418 H VAL 49 H VAL 49 0.853 -6.052 2.331 419 HA VAL 49 HA VAL 49 1.088 -3.151 2.244 420 HB VAL 49 HB VAL 49 3.136 -4.930 0.913 421 HG11 VAL 49 HG11 VAL 49 3.386 -3.224 -0.495 422 HG12 VAL 49 HG12 VAL 49 2.284 -2.210 0.435 423 HG13 VAL 49 HG13 VAL 49 3.991 -2.284 0.868 424 HG21 VAL 49 HG21 VAL 49 3.240 -3.204 3.364 425 HG22 VAL 49 HG22 VAL 49 3.749 -4.881 3.167 426 HG23 VAL 49 HG23 VAL 49 4.695 -3.581 2.442 427 H VAL 50 H VAL 50 -0.466 -2.564 0.888 428 HA VAL 50 HA VAL 50 -0.947 -4.216 -1.506 429 HB VAL 50 HB VAL 50 -2.922 -2.400 -0.115 430 HG11 VAL 50 HG11 VAL 50 -3.145 -4.254 -2.476 431 HG12 VAL 50 HG12 VAL 50 -4.547 -3.654 -1.589 432 HG13 VAL 50 HG13 VAL 50 -3.475 -2.523 -2.414 433 HG21 VAL 50 HG21 VAL 50 -2.079 -5.035 0.546 434 HG22 VAL 50 HG22 VAL 50 -3.347 -4.064 1.292 435 HG23 VAL 50 HG23 VAL 50 -3.730 -5.117 -0.071 436 H VAL 51 H VAL 51 -1.100 -3.234 -3.488 437 HA VAL 51 HA VAL 51 -0.733 -0.319 -3.597 438 HB VAL 51 HB VAL 51 0.840 -0.665 -5.529 439 HG11 VAL 51 HG11 VAL 51 1.344 -0.962 -2.698 440 HG12 VAL 51 HG12 VAL 51 2.578 -1.772 -3.662 441 HG13 VAL 51 HG13 VAL 51 2.247 -0.058 -3.914 442 HG21 VAL 51 HG21 VAL 51 1.742 -3.270 -4.668 443 HG22 VAL 51 HG22 VAL 51 0.077 -3.327 -5.244 444 HG23 VAL 51 HG23 VAL 51 1.349 -2.695 -6.289 445 H VAL 52 H VAL 52 -1.601 0.706 -5.401 446 HA VAL 52 HA VAL 52 -3.299 -0.987 -7.116 447 HB VAL 52 HB VAL 52 -3.925 1.859 -6.342 448 HG11 VAL 52 HG11 VAL 52 -5.185 -0.204 -8.027 449 HG12 VAL 52 HG12 VAL 52 -6.275 0.700 -6.974 450 HG13 VAL 52 HG13 VAL 52 -5.259 1.555 -8.136 451 HG21 VAL 52 HG21 VAL 52 -4.195 -0.552 -4.781 452 HG22 VAL 52 HG22 VAL 52 -4.509 1.123 -4.325 453 HG23 VAL 52 HG23 VAL 52 -5.770 0.171 -5.108 454 H GLY 53 H GLY 53 -3.107 -0.749 -9.267 455 HA2 GLY 53 HA2 GLY 53 -2.418 0.059 -11.304 456 HA3 GLY 53 HA3 GLY 53 -2.313 1.645 -10.556 457 H VAL 54 H VAL 54 -0.485 -0.648 -8.895 458 HA VAL 54 HA VAL 54 1.974 0.476 -10.018 459 HB VAL 54 HB VAL 54 1.543 -1.138 -7.501 460 HG11 VAL 54 HG11 VAL 54 3.747 -1.580 -8.231 461 HG12 VAL 54 HG12 VAL 54 4.012 0.101 -8.691 462 HG13 VAL 54 HG13 VAL 54 3.886 -0.338 -6.987 463 HG21 VAL 54 HG21 VAL 54 2.110 1.033 -6.392 464 HG22 VAL 54 HG22 VAL 54 1.982 1.806 -7.972 465 HG23 VAL 54 HG23 VAL 54 0.570 1.030 -7.251 466 H SER 55 H SER 55 3.624 -0.771 -10.845 467 HA SER 55 HA SER 55 2.899 -3.164 -12.154 468 HB2 SER 55 HB2 SER 55 5.758 -2.931 -11.916 469 HB3 SER 55 HB3 SER 55 4.741 -2.693 -13.338 470 HG SER 55 HG SER 55 5.981 -0.820 -12.669 471 H GLU 56 H GLU 56 3.413 -5.293 -11.759 472 HA GLU 56 HA GLU 56 3.652 -6.062 -9.033 473 HB2 GLU 56 HB2 GLU 56 3.717 -8.368 -9.918 474 HB3 GLU 56 HB3 GLU 56 2.392 -7.428 -10.588 475 HG2 GLU 56 HG2 GLU 56 4.186 -6.961 -12.483 476 HG3 GLU 56 HG3 GLU 56 4.816 -8.501 -11.903 477 H LYS 57 H LYS 57 5.883 -5.991 -11.763 478 HA LYS 57 HA LYS 57 8.010 -7.393 -10.611 479 HB2 LYS 57 HB2 LYS 57 9.416 -6.332 -12.282 480 HB3 LYS 57 HB3 LYS 57 7.879 -6.794 -13.003 481 HG2 LYS 57 HG2 LYS 57 7.123 -4.422 -12.646 482 HG3 LYS 57 HG3 LYS 57 8.793 -4.042 -12.217 483 HD2 LYS 57 HD2 LYS 57 8.781 -3.541 -14.464 484 HD3 LYS 57 HD3 LYS 57 9.330 -5.219 -14.492 485 HE2 LYS 57 HE2 LYS 57 6.610 -5.497 -14.562 486 HE3 LYS 57 HE3 LYS 57 6.854 -4.025 -15.501 487 HZ1 LYS 57 HZ1 LYS 57 8.599 -6.291 -16.090 488 HZ2 LYS 57 HZ2 LYS 57 6.984 -6.416 -16.582 489 HZ3 LYS 57 HZ3 LYS 57 7.941 -5.133 -17.133 490 H VAL 58 H VAL 58 7.006 -4.046 -10.300 491 HA VAL 58 HA VAL 58 9.368 -3.146 -8.977 492 HB VAL 58 HB VAL 58 6.593 -1.949 -8.970 493 HG11 VAL 58 HG11 VAL 58 9.140 -1.140 -7.736 494 HG12 VAL 58 HG12 VAL 58 8.279 0.128 -8.607 495 HG13 VAL 58 HG13 VAL 58 7.483 -0.735 -7.291 496 HG21 VAL 58 HG21 VAL 58 7.523 -0.428 -10.686 497 HG22 VAL 58 HG22 VAL 58 8.993 -1.403 -10.712 498 HG23 VAL 58 HG23 VAL 58 7.458 -2.109 -11.217 499 H VAL 59 H VAL 59 6.071 -3.798 -7.774 500 HA VAL 59 HA VAL 59 6.691 -3.510 -5.049 501 HB VAL 59 HB VAL 59 4.596 -4.742 -4.613 502 HG11 VAL 59 HG11 VAL 59 3.275 -3.198 -6.440 503 HG12 VAL 59 HG12 VAL 59 3.888 -2.634 -4.886 504 HG13 VAL 59 HG13 VAL 59 4.845 -2.401 -6.349 505 HG21 VAL 59 HG21 VAL 59 3.236 -5.344 -6.690 506 HG22 VAL 59 HG22 VAL 59 4.770 -5.294 -7.561 507 HG23 VAL 59 HG23 VAL 59 4.544 -6.436 -6.236 508 H GLN 60 H GLN 60 6.808 -6.291 -7.204 509 HA GLN 60 HA GLN 60 7.118 -8.324 -5.327 510 HB2 GLN 60 HB2 GLN 60 6.747 -8.761 -7.702 511 HB3 GLN 60 HB3 GLN 60 8.330 -8.101 -8.087 512 HG2 GLN 60 HG2 GLN 60 8.513 -10.204 -6.116 513 HG3 GLN 60 HG3 GLN 60 7.702 -10.752 -7.583 514 HE21 GLN 60 HE21 GLN 60 10.396 -11.291 -6.387 515 HE22 GLN 60 HE22 GLN 60 11.511 -10.980 -7.669 516 H LYS 61 H LYS 61 9.624 -6.410 -6.976 517 HA LYS 61 HA LYS 61 11.848 -7.584 -5.770 518 HB2 LYS 61 HB2 LYS 61 11.635 -5.806 -7.692 519 HB3 LYS 61 HB3 LYS 61 11.819 -4.652 -6.379 520 HG2 LYS 61 HG2 LYS 61 13.808 -6.715 -6.179 521 HG3 LYS 61 HG3 LYS 61 13.837 -5.976 -7.782 522 HD2 LYS 61 HD2 LYS 61 13.661 -3.752 -6.345 523 HD3 LYS 61 HD3 LYS 61 14.408 -4.781 -5.120 524 HE2 LYS 61 HE2 LYS 61 16.299 -5.185 -6.474 525 HE3 LYS 61 HE3 LYS 61 15.502 -4.546 -7.911 526 HZ1 LYS 61 HZ1 LYS 61 15.633 -2.356 -7.057 527 HZ2 LYS 61 HZ2 LYS 61 16.143 -2.892 -5.535 528 HZ3 LYS 61 HZ3 LYS 61 17.171 -3.038 -6.871 529 H VAL 62 H VAL 62 10.414 -4.434 -4.893 530 HA VAL 62 HA VAL 62 11.807 -4.007 -2.552 531 HB VAL 62 HB VAL 62 8.938 -3.237 -3.109 532 HG11 VAL 62 HG11 VAL 62 9.751 -1.284 -1.539 533 HG12 VAL 62 HG12 VAL 62 9.112 -2.787 -0.872 534 HG13 VAL 62 HG13 VAL 62 10.856 -2.526 -0.947 535 HG21 VAL 62 HG21 VAL 62 9.864 -1.118 -3.884 536 HG22 VAL 62 HG22 VAL 62 11.498 -1.713 -3.589 537 HG23 VAL 62 HG23 VAL 62 10.498 -2.464 -4.833 538 H LYS 63 H LYS 63 8.665 -5.635 -2.930 539 HA LYS 63 HA LYS 63 8.113 -6.193 -0.285 540 HB2 LYS 63 HB2 LYS 63 6.516 -6.651 -2.051 541 HB3 LYS 63 HB3 LYS 63 7.567 -7.887 -2.729 542 HG2 LYS 63 HG2 LYS 63 7.154 -8.613 -0.055 543 HG3 LYS 63 HG3 LYS 63 5.580 -8.116 -0.679 544 HD2 LYS 63 HD2 LYS 63 5.556 -10.302 -1.328 545 HD3 LYS 63 HD3 LYS 63 6.349 -9.600 -2.739 546 HE2 LYS 63 HE2 LYS 63 8.543 -10.108 -1.635 547 HE3 LYS 63 HE3 LYS 63 7.645 -10.997 -0.405 548 HZ1 LYS 63 HZ1 LYS 63 6.739 -11.938 -2.833 549 HZ2 LYS 63 HZ2 LYS 63 8.418 -11.829 -3.003 550 HZ3 LYS 63 HZ3 LYS 63 7.752 -12.743 -1.744 551 H GLN 64 H GLN 64 10.183 -7.979 -2.528 552 HA GLN 64 HA GLN 64 10.711 -10.193 -0.895 553 HB2 GLN 64 HB2 GLN 64 11.273 -9.883 -3.360 554 HB3 GLN 64 HB3 GLN 64 12.686 -8.982 -2.825 555 HG2 GLN 64 HG2 GLN 64 13.494 -10.937 -1.622 556 HG3 GLN 64 HG3 GLN 64 12.068 -11.843 -2.122 557 HE21 GLN 64 HE21 GLN 64 12.788 -13.332 -3.483 558 HE22 GLN 64 HE22 GLN 64 13.781 -13.036 -4.865 559 H GLU 65 H GLU 65 12.424 -7.102 -1.218 560 HA GLU 65 HA GLU 65 14.307 -7.810 0.859 561 HB2 GLU 65 HB2 GLU 65 14.083 -5.762 -1.183 562 HB3 GLU 65 HB3 GLU 65 14.530 -5.070 0.370 563 HG2 GLU 65 HG2 GLU 65 16.120 -7.352 0.069 564 HG3 GLU 65 HG3 GLU 65 16.128 -6.544 -1.498 565 H ALA 66 H ALA 66 11.172 -6.892 0.911 566 HA ALA 66 HA ALA 66 11.419 -5.153 3.258 567 HB1 ALA 66 HB1 ALA 66 8.971 -5.869 1.648 568 HB2 ALA 66 HB2 ALA 66 9.047 -4.695 2.961 569 HB3 ALA 66 HB3 ALA 66 9.932 -4.402 1.464 570 H ASN 67 H ASN 67 10.484 -8.353 2.294 571 HA ASN 67 HA ASN 67 9.959 -10.214 3.495 572 HB2 ASN 67 HB2 ASN 67 11.752 -9.065 5.052 573 HB3 ASN 67 HB3 ASN 67 10.359 -8.786 6.094 574 HD21 ASN 67 HD21 ASN 67 11.923 -10.198 7.397 575 HD22 ASN 67 HD22 ASN 67 11.627 -11.899 7.327 576 H VAL 68 H VAL 68 7.861 -8.745 2.628 577 HA VAL 68 HA VAL 68 5.881 -9.247 4.717 578 HB VAL 68 HB VAL 68 4.693 -7.105 4.091 579 HG11 VAL 68 HG11 VAL 68 5.889 -7.395 6.210 580 HG12 VAL 68 HG12 VAL 68 7.375 -6.833 5.446 581 HG13 VAL 68 HG13 VAL 68 6.005 -5.737 5.621 582 HG21 VAL 68 HG21 VAL 68 5.822 -6.562 2.043 583 HG22 VAL 68 HG22 VAL 68 6.157 -5.288 3.216 584 HG23 VAL 68 HG23 VAL 68 7.382 -6.507 2.864 585 H GLN 69 H GLN 69 3.597 -8.919 3.740 586 HA GLN 69 HA GLN 69 3.532 -10.454 1.275 587 HB2 GLN 69 HB2 GLN 69 1.652 -9.884 3.485 588 HB3 GLN 69 HB3 GLN 69 0.925 -10.094 1.898 589 HG2 GLN 69 HG2 GLN 69 2.895 -12.139 2.481 590 HG3 GLN 69 HG3 GLN 69 1.599 -12.089 3.676 591 HE21 GLN 69 HE21 GLN 69 1.834 -11.683 0.155 592 HE22 GLN 69 HE22 GLN 69 0.562 -12.788 -0.228 593 H VAL 70 H VAL 70 2.969 -9.699 -0.676 594 HA VAL 70 HA VAL 70 2.209 -6.862 -0.862 595 HB VAL 70 HB VAL 70 4.294 -7.341 -1.993 596 HG11 VAL 70 HG11 VAL 70 2.755 -9.365 -3.618 597 HG12 VAL 70 HG12 VAL 70 4.450 -8.926 -3.826 598 HG13 VAL 70 HG13 VAL 70 3.926 -9.745 -2.354 599 HG21 VAL 70 HG21 VAL 70 3.759 -6.513 -4.210 600 HG22 VAL 70 HG22 VAL 70 2.074 -6.991 -4.007 601 HG23 VAL 70 HG23 VAL 70 2.752 -5.708 -3.005 602 H TYR 71 H TYR 71 0.281 -6.315 -1.653 603 HA TYR 71 HA TYR 71 -1.274 -8.369 -3.083 604 HB2 TYR 71 HB2 TYR 71 -2.018 -6.624 -0.793 605 HB3 TYR 71 HB3 TYR 71 -3.247 -6.911 -2.018 606 HD1 TYR 71 HD1 TYR 71 -0.736 -8.881 -0.064 607 HD2 TYR 71 HD2 TYR 71 -4.677 -8.678 -1.654 608 HE1 TYR 71 HE1 TYR 71 -1.261 -11.045 0.980 609 HE2 TYR 71 HE2 TYR 71 -5.214 -10.841 -0.614 610 HH TYR 71 HH TYR 71 -2.875 -12.916 0.623 611 H ARG 72 H ARG 72 -2.135 -7.789 -4.983 612 HA ARG 72 HA ARG 72 -1.747 -5.018 -5.856 613 HB2 ARG 72 HB2 ARG 72 -1.305 -7.512 -7.095 614 HB3 ARG 72 HB3 ARG 72 -2.655 -6.773 -7.947 615 HG2 ARG 72 HG2 ARG 72 -1.389 -5.056 -8.757 616 HG3 ARG 72 HG3 ARG 72 -0.257 -5.107 -7.403 617 HD2 ARG 72 HD2 ARG 72 0.884 -5.892 -9.351 618 HD3 ARG 72 HD3 ARG 72 0.598 -7.273 -8.293 619 HE ARG 72 HE ARG 72 -0.723 -8.193 -9.916 620 HH11 ARG 72 HH11 ARG 72 -0.282 -4.807 -10.598 621 HH12 ARG 72 HH12 ARG 72 -1.051 -4.885 -12.149 622 HH21 ARG 72 HH21 ARG 72 -1.737 -8.309 -11.956 623 HH22 ARG 72 HH22 ARG 72 -1.879 -6.877 -12.920 624 H VAL 73 H VAL 73 -3.398 -3.750 -6.600 625 HA VAL 73 HA VAL 73 -6.113 -4.752 -6.078 626 HB VAL 73 HB VAL 73 -5.099 -1.911 -6.250 627 HG11 VAL 73 HG11 VAL 73 -7.798 -3.051 -6.306 628 HG12 VAL 73 HG12 VAL 73 -7.567 -1.783 -5.101 629 HG13 VAL 73 HG13 VAL 73 -7.227 -1.458 -6.801 630 HG21 VAL 73 HG21 VAL 73 -5.937 -2.006 -3.792 631 HG22 VAL 73 HG22 VAL 73 -5.747 -3.749 -3.982 632 HG23 VAL 73 HG23 VAL 73 -4.359 -2.681 -4.198 633 H THR 74 H THR 74 -7.695 -4.669 -7.608 634 HA THR 74 HA THR 74 -6.852 -3.856 -10.313 635 HB THR 74 HB THR 74 -9.065 -5.822 -9.771 636 HG1 THR 74 HG1 THR 74 -7.192 -7.344 -10.361 637 HG21 THR 74 HG21 THR 74 -8.772 -4.758 -12.030 638 HG22 THR 74 HG22 THR 74 -7.203 -5.556 -12.130 639 HG23 THR 74 HG23 THR 74 -8.676 -6.519 -12.024 640 H SER 75 H SER 75 -9.165 -3.435 -7.802 641 HA SER 75 HA SER 75 -10.410 -1.269 -9.237 642 HB2 SER 75 HB2 SER 75 -11.602 -3.587 -9.764 643 HB3 SER 75 HB3 SER 75 -12.373 -3.268 -8.211 644 HG SER 75 HG SER 75 -13.511 -2.402 -10.051 645 H ASN 76 H ASN 76 -12.048 -0.143 -7.854 646 HA ASN 76 HA ASN 76 -10.999 0.515 -5.378 647 HB2 ASN 76 HB2 ASN 76 -13.382 1.155 -6.897 648 HB3 ASN 76 HB3 ASN 76 -13.738 1.061 -5.175 649 HD21 ASN 76 HD21 ASN 76 -11.984 2.173 -3.799 650 HD22 ASN 76 HD22 ASN 76 -11.515 3.747 -4.336 651 H ASP 77 H ASP 77 -13.323 -1.961 -6.234 652 HA ASP 77 HA ASP 77 -14.307 -2.554 -3.677 653 HB2 ASP 77 HB2 ASP 77 -14.209 -3.920 -6.295 654 HB3 ASP 77 HB3 ASP 77 -14.391 -4.975 -4.897 655 H GLU 78 H GLU 78 -11.298 -3.330 -5.225 656 HA GLU 78 HA GLU 78 -10.574 -5.446 -3.432 657 HB2 GLU 78 HB2 GLU 78 -9.495 -4.230 -5.800 658 HB3 GLU 78 HB3 GLU 78 -8.242 -4.327 -4.569 659 HG2 GLU 78 HG2 GLU 78 -7.944 -6.460 -5.042 660 HG3 GLU 78 HG3 GLU 78 -9.611 -6.799 -4.582 661 H VAL 79 H VAL 79 -10.185 -1.980 -3.512 662 HA VAL 79 HA VAL 79 -8.160 -1.804 -1.523 663 HB VAL 79 HB VAL 79 -10.193 0.262 -2.382 664 HG11 VAL 79 HG11 VAL 79 -9.425 1.537 -0.735 665 HG12 VAL 79 HG12 VAL 79 -8.317 0.263 -0.230 666 HG13 VAL 79 HG13 VAL 79 -7.810 1.445 -1.437 667 HG21 VAL 79 HG21 VAL 79 -7.342 -0.201 -3.256 668 HG22 VAL 79 HG22 VAL 79 -8.791 -0.467 -4.226 669 HG23 VAL 79 HG23 VAL 79 -8.347 1.168 -3.733 670 H GLU 80 H GLU 80 -11.685 -1.287 -1.399 671 HA GLU 80 HA GLU 80 -11.775 -0.889 1.403 672 HB2 GLU 80 HB2 GLU 80 -13.523 -0.258 -0.382 673 HB3 GLU 80 HB3 GLU 80 -14.081 -1.918 -0.230 674 HG2 GLU 80 HG2 GLU 80 -14.025 -1.199 2.361 675 HG3 GLU 80 HG3 GLU 80 -14.375 0.356 1.610 676 H GLN 81 H GLN 81 -11.947 -3.725 -0.635 677 HA GLN 81 HA GLN 81 -12.959 -5.526 1.293 678 HB2 GLN 81 HB2 GLN 81 -11.564 -5.767 -1.325 679 HB3 GLN 81 HB3 GLN 81 -11.592 -7.185 -0.285 680 HG2 GLN 81 HG2 GLN 81 -14.174 -5.826 -0.644 681 HG3 GLN 81 HG3 GLN 81 -13.500 -6.587 -2.085 682 HE21 GLN 81 HE21 GLN 81 -15.856 -7.276 -0.472 683 HE22 GLN 81 HE22 GLN 81 -15.627 -8.918 0.012 684 H VAL 82 H VAL 82 -9.627 -4.914 0.189 685 HA VAL 82 HA VAL 82 -8.335 -6.674 1.922 686 HB VAL 82 HB VAL 82 -7.339 -4.059 0.786 687 HG11 VAL 82 HG11 VAL 82 -6.141 -5.877 2.690 688 HG12 VAL 82 HG12 VAL 82 -5.170 -5.738 1.224 689 HG13 VAL 82 HG13 VAL 82 -5.590 -4.293 2.144 690 HG21 VAL 82 HG21 VAL 82 -6.555 -5.238 -1.036 691 HG22 VAL 82 HG22 VAL 82 -6.542 -6.774 -0.169 692 HG23 VAL 82 HG23 VAL 82 -8.071 -6.075 -0.700 693 H VAL 83 H VAL 83 -8.973 -3.195 2.337 694 HA VAL 83 HA VAL 83 -7.856 -2.993 4.917 695 HB VAL 83 HB VAL 83 -10.050 -1.287 3.734 696 HG11 VAL 83 HG11 VAL 83 -8.590 0.360 5.290 697 HG12 VAL 83 HG12 VAL 83 -10.030 -0.491 5.846 698 HG13 VAL 83 HG13 VAL 83 -8.431 -1.146 6.193 699 HG21 VAL 83 HG21 VAL 83 -7.487 -0.050 3.636 700 HG22 VAL 83 HG22 VAL 83 -7.373 -1.638 2.878 701 HG23 VAL 83 HG23 VAL 83 -8.562 -0.469 2.303 702 H LYS 84 H LYS 84 -11.160 -3.609 3.807 703 HA LYS 84 HA LYS 84 -12.585 -3.448 6.132 704 HB2 LYS 84 HB2 LYS 84 -13.712 -3.949 4.083 705 HB3 LYS 84 HB3 LYS 84 -12.814 -5.449 3.885 706 HG2 LYS 84 HG2 LYS 84 -14.026 -6.537 5.553 707 HG3 LYS 84 HG3 LYS 84 -14.621 -5.021 6.236 708 HD2 LYS 84 HD2 LYS 84 -15.832 -4.681 4.025 709 HD3 LYS 84 HD3 LYS 84 -15.450 -6.369 3.676 710 HE2 LYS 84 HE2 LYS 84 -16.596 -7.024 5.762 711 HE3 LYS 84 HE3 LYS 84 -17.030 -5.336 6.029 712 HZ1 LYS 84 HZ1 LYS 84 -17.874 -5.867 3.485 713 HZ2 LYS 84 HZ2 LYS 84 -18.265 -7.274 4.338 714 HZ3 LYS 84 HZ3 LYS 84 -18.851 -5.777 4.863 715 H ASP 85 H ASP 85 -11.299 -6.552 4.931 716 HA ASP 85 HA ASP 85 -11.376 -7.622 7.633 717 HB2 ASP 85 HB2 ASP 85 -11.144 -8.744 4.898 718 HB3 ASP 85 HB3 ASP 85 -10.336 -9.641 6.181 719 H VAL 86 H VAL 86 -9.311 -5.651 6.245 720 HA VAL 86 HA VAL 86 -7.026 -5.341 6.204 721 HB VAL 86 HB VAL 86 -6.019 -5.493 8.442 722 HG11 VAL 86 HG11 VAL 86 -8.841 -4.480 8.694 723 HG12 VAL 86 HG12 VAL 86 -7.387 -3.872 9.487 724 HG13 VAL 86 HG13 VAL 86 -7.604 -3.647 7.751 725 HG21 VAL 86 HG21 VAL 86 -7.175 -7.664 9.013 726 HG22 VAL 86 HG22 VAL 86 -7.134 -6.458 10.299 727 HG23 VAL 86 HG23 VAL 86 -8.612 -6.707 9.371 728 H LYS 87 H LYS 87 -7.619 -7.777 4.991 729 HA LYS 87 HA LYS 87 -5.144 -9.051 4.973 730 HB2 LYS 87 HB2 LYS 87 -6.774 -9.881 7.151 731 HB3 LYS 87 HB3 LYS 87 -6.706 -11.209 6.001 732 HG2 LYS 87 HG2 LYS 87 -4.103 -10.501 6.088 733 HG3 LYS 87 HG3 LYS 87 -4.611 -10.090 7.729 734 HD2 LYS 87 HD2 LYS 87 -5.771 -12.510 7.458 735 HD3 LYS 87 HD3 LYS 87 -4.360 -12.722 6.419 736 HE2 LYS 87 HE2 LYS 87 -2.965 -12.810 8.163 737 HE3 LYS 87 HE3 LYS 87 -3.721 -11.420 8.942 738 HZ1 LYS 87 HZ1 LYS 87 -4.719 -12.777 10.355 739 HZ2 LYS 87 HZ2 LYS 87 -5.467 -13.617 9.091 740 HZ3 LYS 87 HZ3 LYS 87 -3.945 -14.104 9.647 741 H GLY 88 H GLY 88 -5.132 -11.026 3.628 742 HA2 GLY 88 HA2 GLY 88 -5.707 -12.044 1.649 743 HA3 GLY 88 HA3 GLY 88 -7.312 -12.148 2.357 744 H SER 89 H SER 89 -8.411 -11.802 0.446 745 HA SER 89 HA SER 89 -9.461 -10.584 -1.164 746 HB2 SER 89 HB2 SER 89 -8.319 -8.102 0.117 747 HB3 SER 89 HB3 SER 89 -9.814 -8.261 -0.804 748 HG SER 89 HG SER 89 -10.546 -8.339 1.210 749 H GLY 90 H GLY 90 -7.675 -11.628 -2.461 750 HA2 GLY 90 HA2 GLY 90 -6.698 -9.831 -4.370 751 HA3 GLY 90 HA3 GLY 90 -5.388 -10.183 -3.252 752 H LEU 91 H LEU 91 -7.894 -12.472 -4.157 753 HA LEU 91 HA LEU 91 -6.134 -14.556 -4.702 754 HB2 LEU 91 HB2 LEU 91 -8.922 -14.119 -5.763 755 HB3 LEU 91 HB3 LEU 91 -8.044 -15.647 -5.814 756 HG LEU 91 HG LEU 91 -8.619 -14.286 -3.204 757 HD11 LEU 91 HD11 LEU 91 -10.755 -15.001 -3.101 758 HD12 LEU 91 HD12 LEU 91 -10.660 -14.847 -4.855 759 HD13 LEU 91 HD13 LEU 91 -10.443 -16.423 -4.095 760 HD21 LEU 91 HD21 LEU 91 -8.656 -17.209 -3.502 761 HD22 LEU 91 HD22 LEU 91 -7.099 -16.442 -3.813 762 HD23 LEU 91 HD23 LEU 91 -7.908 -16.200 -2.264 763 H GLU 92 H GLU 92 -6.319 -15.731 -6.979 764 HA GLU 92 HA GLU 92 -5.834 -13.771 -9.112 765 HB2 GLU 92 HB2 GLU 92 -3.824 -14.843 -9.810 766 HB3 GLU 92 HB3 GLU 92 -3.675 -14.552 -8.082 767 HG2 GLU 92 HG2 GLU 92 -4.822 -17.108 -8.393 768 HG3 GLU 92 HG3 GLU 92 -3.467 -17.003 -9.514 769 H HIS 93 H HIS 93 -5.857 -14.758 -11.290 770 HA HIS 93 HA HIS 93 -7.112 -17.350 -11.557 771 HB2 HIS 93 HB2 HIS 93 -9.060 -15.953 -11.124 772 HB3 HIS 93 HB3 HIS 93 -8.565 -14.828 -12.385 773 HD1 HIS 93 HD1 HIS 93 -9.379 -15.300 -14.701 774 HD2 HIS 93 HD2 HIS 93 -9.866 -18.549 -12.158 775 HE1 HIS 93 HE1 HIS 93 -10.716 -16.982 -16.007 776 H HIS 94 H HIS 94 -5.009 -17.564 -12.622 777 HA HIS 94 HA HIS 94 -4.954 -16.358 -15.308 778 HB2 HIS 94 HB2 HIS 94 -2.724 -17.470 -13.597 779 HB3 HIS 94 HB3 HIS 94 -2.518 -16.997 -15.281 780 HD1 HIS 94 HD1 HIS 94 -3.464 -14.343 -15.651 781 HD2 HIS 94 HD2 HIS 94 -1.992 -15.482 -11.937 782 HE1 HIS 94 HE1 HIS 94 -2.855 -12.201 -14.484 783 H HIS 95 H HIS 95 -6.697 -18.300 -15.295 784 HA HIS 95 HA HIS 95 -5.692 -20.928 -15.617 785 HB2 HIS 95 HB2 HIS 95 -8.240 -19.638 -15.669 786 HB3 HIS 95 HB3 HIS 95 -8.090 -20.629 -17.118 787 HD1 HIS 95 HD1 HIS 95 -8.235 -20.869 -13.382 788 HD2 HIS 95 HD2 HIS 95 -8.109 -23.382 -16.688 789 HE1 HIS 95 HE1 HIS 95 -8.758 -23.165 -12.500 790 H HIS 96 H HIS 96 -4.331 -21.524 -17.164 791 HA HIS 96 HA HIS 96 -3.378 -21.830 -19.207 792 HB2 HIS 96 HB2 HIS 96 -6.194 -21.600 -19.703 793 HB3 HIS 96 HB3 HIS 96 -5.311 -20.842 -21.024 794 HD1 HIS 96 HD1 HIS 96 -5.157 -22.476 -22.865 795 HD2 HIS 96 HD2 HIS 96 -4.609 -24.275 -19.160 796 HE1 HIS 96 HE1 HIS 96 -4.655 -24.890 -23.357 797 H HIS 97 H HIS 97 -1.791 -20.262 -18.951 798 HA HIS 97 HA HIS 97 -2.118 -17.509 -19.303 799 HB2 HIS 97 HB2 HIS 97 0.304 -19.270 -19.707 800 HB3 HIS 97 HB3 HIS 97 0.362 -17.511 -19.756 801 HD1 HIS 97 HD1 HIS 97 1.413 -19.875 -17.575 802 HD2 HIS 97 HD2 HIS 97 -1.284 -16.750 -17.097 803 HE1 HIS 97 HE1 HIS 97 1.340 -19.421 -15.102 804 H HIS 98 H HIS 98 -0.426 -19.630 -21.614 805 HA HIS 98 HA HIS 98 -1.924 -18.521 -23.830 806 HB2 HIS 98 HB2 HIS 98 0.225 -17.074 -23.161 807 HB3 HIS 98 HB3 HIS 98 1.024 -18.289 -24.155 808 HD1 HIS 98 HD1 HIS 98 1.548 -16.819 -26.140 809 HD2 HIS 98 HD2 HIS 98 -2.473 -16.753 -25.094 810 HE1 HIS 98 HE1 HIS 98 0.385 -15.599 -28.008 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -1.038 -8.230 12.410 2 HA2 GLY 1 HA2 GLY 1 -2.863 -8.060 11.009 3 HA3 GLY 1 HA3 GLY 1 -3.783 -7.422 12.364 4 H ARG 2 H ARG 2 -0.841 -6.203 10.787 5 HA ARG 2 HA ARG 2 -2.131 -3.593 10.541 6 HB2 ARG 2 HB2 ARG 2 0.569 -4.523 10.963 7 HB3 ARG 2 HB3 ARG 2 0.506 -3.435 9.583 8 HG2 ARG 2 HG2 ARG 2 0.783 -1.868 11.170 9 HG3 ARG 2 HG3 ARG 2 -0.967 -2.030 11.329 10 HD2 ARG 2 HD2 ARG 2 0.525 -3.982 12.901 11 HD3 ARG 2 HD3 ARG 2 0.869 -2.314 13.354 12 HE ARG 2 HE ARG 2 -1.855 -2.439 13.209 13 HH11 ARG 2 HH11 ARG 2 0.605 -4.186 14.945 14 HH12 ARG 2 HH12 ARG 2 -0.413 -4.530 16.303 15 HH21 ARG 2 HH21 ARG 2 -3.206 -2.886 14.992 16 HH22 ARG 2 HH22 ARG 2 -2.581 -3.791 16.328 17 H VAL 3 H VAL 3 -2.175 -2.425 8.582 18 HA VAL 3 HA VAL 3 -1.480 -3.818 6.123 19 HB VAL 3 HB VAL 3 -4.293 -2.807 6.528 20 HG11 VAL 3 HG11 VAL 3 -4.157 -2.787 4.282 21 HG12 VAL 3 HG12 VAL 3 -2.746 -3.846 4.255 22 HG13 VAL 3 HG13 VAL 3 -4.361 -4.532 4.441 23 HG21 VAL 3 HG21 VAL 3 -3.293 -5.654 6.560 24 HG22 VAL 3 HG22 VAL 3 -3.910 -4.756 7.947 25 HG23 VAL 3 HG23 VAL 3 -4.983 -5.153 6.605 26 H VAL 4 H VAL 4 -1.253 -2.457 4.334 27 HA VAL 4 HA VAL 4 -1.636 0.417 4.809 28 HB VAL 4 HB VAL 4 0.875 -0.843 3.696 29 HG11 VAL 4 HG11 VAL 4 -0.250 1.840 3.443 30 HG12 VAL 4 HG12 VAL 4 1.398 1.821 4.070 31 HG13 VAL 4 HG13 VAL 4 1.034 1.056 2.522 32 HG21 VAL 4 HG21 VAL 4 0.517 0.849 6.165 33 HG22 VAL 4 HG22 VAL 4 0.598 -0.911 6.174 34 HG23 VAL 4 HG23 VAL 4 1.985 0.032 5.631 35 H VAL 5 H VAL 5 -2.366 1.554 3.090 36 HA VAL 5 HA VAL 5 -2.779 0.055 0.589 37 HB VAL 5 HB VAL 5 -4.299 2.474 1.572 38 HG11 VAL 5 HG11 VAL 5 -4.471 2.464 -0.758 39 HG12 VAL 5 HG12 VAL 5 -4.552 0.704 -0.837 40 HG13 VAL 5 HG13 VAL 5 -5.926 1.623 -0.219 41 HG21 VAL 5 HG21 VAL 5 -5.126 -0.428 1.564 42 HG22 VAL 5 HG22 VAL 5 -4.682 0.508 2.992 43 HG23 VAL 5 HG23 VAL 5 -6.120 0.939 2.067 44 H VAL 6 H VAL 6 -1.945 0.785 -1.276 45 HA VAL 6 HA VAL 6 -0.781 3.491 -1.319 46 HB VAL 6 HB VAL 6 0.477 1.024 -2.527 47 HG11 VAL 6 HG11 VAL 6 1.023 3.926 -2.744 48 HG12 VAL 6 HG12 VAL 6 2.415 2.853 -2.597 49 HG13 VAL 6 HG13 VAL 6 1.269 2.635 -3.919 50 HG21 VAL 6 HG21 VAL 6 0.565 1.989 0.125 51 HG22 VAL 6 HG22 VAL 6 1.519 0.693 -0.595 52 HG23 VAL 6 HG23 VAL 6 2.127 2.348 -0.612 53 H VAL 7 H VAL 7 -0.907 4.605 -3.246 54 HA VAL 7 HA VAL 7 -2.321 3.283 -5.463 55 HB VAL 7 HB VAL 7 -3.643 5.310 -5.850 56 HG11 VAL 7 HG11 VAL 7 -3.844 3.824 -3.278 57 HG12 VAL 7 HG12 VAL 7 -4.932 5.183 -3.560 58 HG13 VAL 7 HG13 VAL 7 -4.921 3.816 -4.674 59 HG21 VAL 7 HG21 VAL 7 -2.011 6.873 -4.792 60 HG22 VAL 7 HG22 VAL 7 -3.684 7.137 -4.302 61 HG23 VAL 7 HG23 VAL 7 -2.566 6.308 -3.217 62 H THR 8 H THR 8 -2.220 4.651 -7.497 63 HA THR 8 HA THR 8 0.538 5.570 -7.825 64 HB THR 8 HB THR 8 -0.567 5.628 -10.339 65 HG1 THR 8 HG1 THR 8 -2.426 4.588 -10.025 66 HG21 THR 8 HG21 THR 8 1.544 4.482 -9.271 67 HG22 THR 8 HG22 THR 8 0.519 3.047 -9.304 68 HG23 THR 8 HG23 THR 8 0.886 3.903 -10.802 69 H SER 9 H SER 9 -2.675 6.766 -7.671 70 HA SER 9 HA SER 9 -1.741 9.404 -8.598 71 HB2 SER 9 HB2 SER 9 -3.492 8.264 -10.048 72 HB3 SER 9 HB3 SER 9 -4.609 8.458 -8.697 73 HG SER 9 HG SER 9 -4.818 10.208 -10.086 74 H GLU 10 H GLU 10 -2.334 11.207 -7.407 75 HA GLU 10 HA GLU 10 -2.622 10.850 -4.629 76 HB2 GLU 10 HB2 GLU 10 -2.736 13.249 -4.483 77 HB3 GLU 10 HB3 GLU 10 -1.555 12.822 -5.713 78 HG2 GLU 10 HG2 GLU 10 -3.362 13.186 -7.421 79 HG3 GLU 10 HG3 GLU 10 -4.343 13.860 -6.122 80 H GLN 11 H GLN 11 -4.934 11.402 -7.191 81 HA GLN 11 HA GLN 11 -7.139 12.234 -5.708 82 HB2 GLN 11 HB2 GLN 11 -6.824 10.747 -8.289 83 HB3 GLN 11 HB3 GLN 11 -8.427 10.958 -7.596 84 HG2 GLN 11 HG2 GLN 11 -6.534 13.218 -8.198 85 HG3 GLN 11 HG3 GLN 11 -7.805 12.664 -9.287 86 HE21 GLN 11 HE21 GLN 11 -8.050 15.163 -8.745 87 HE22 GLN 11 HE22 GLN 11 -9.250 15.492 -7.547 88 H VAL 12 H VAL 12 -6.188 8.927 -6.621 89 HA VAL 12 HA VAL 12 -8.279 7.588 -5.334 90 HB VAL 12 HB VAL 12 -5.475 6.518 -5.655 91 HG11 VAL 12 HG11 VAL 12 -7.045 5.187 -4.283 92 HG12 VAL 12 HG12 VAL 12 -8.139 5.105 -5.663 93 HG13 VAL 12 HG13 VAL 12 -6.545 4.357 -5.757 94 HG21 VAL 12 HG21 VAL 12 -7.005 5.611 -7.786 95 HG22 VAL 12 HG22 VAL 12 -7.394 7.327 -7.665 96 HG23 VAL 12 HG23 VAL 12 -5.716 6.813 -7.850 97 H LYS 13 H LYS 13 -5.102 8.590 -4.145 98 HA LYS 13 HA LYS 13 -5.141 7.314 -1.668 99 HB2 LYS 13 HB2 LYS 13 -3.145 8.403 -2.561 100 HB3 LYS 13 HB3 LYS 13 -3.916 9.977 -2.412 101 HG2 LYS 13 HG2 LYS 13 -4.036 8.745 0.126 102 HG3 LYS 13 HG3 LYS 13 -2.393 8.544 -0.487 103 HD2 LYS 13 HD2 LYS 13 -2.329 10.977 -0.968 104 HD3 LYS 13 HD3 LYS 13 -3.921 11.134 -0.223 105 HE2 LYS 13 HE2 LYS 13 -3.080 10.480 1.901 106 HE3 LYS 13 HE3 LYS 13 -1.541 9.971 1.209 107 HZ1 LYS 13 HZ1 LYS 13 -0.837 12.129 0.958 108 HZ2 LYS 13 HZ2 LYS 13 -2.403 12.770 0.934 109 HZ3 LYS 13 HZ3 LYS 13 -1.725 12.248 2.394 110 H GLU 14 H GLU 14 -6.287 10.566 -2.541 111 HA GLU 14 HA GLU 14 -7.125 11.379 -0.013 112 HB2 GLU 14 HB2 GLU 14 -7.789 12.141 -2.803 113 HB3 GLU 14 HB3 GLU 14 -8.920 12.648 -1.556 114 HG2 GLU 14 HG2 GLU 14 -6.365 13.262 -0.582 115 HG3 GLU 14 HG3 GLU 14 -6.385 13.763 -2.272 116 H GLU 15 H GLU 15 -8.869 9.572 -2.511 117 HA GLU 15 HA GLU 15 -11.345 9.474 -1.153 118 HB2 GLU 15 HB2 GLU 15 -11.636 8.935 -3.357 119 HB3 GLU 15 HB3 GLU 15 -10.113 8.064 -3.457 120 HG2 GLU 15 HG2 GLU 15 -11.021 6.107 -2.657 121 HG3 GLU 15 HG3 GLU 15 -12.352 6.931 -1.847 122 H VAL 16 H VAL 16 -8.508 7.391 -1.125 123 HA VAL 16 HA VAL 16 -9.693 5.296 0.395 124 HB VAL 16 HB VAL 16 -6.775 6.000 0.045 125 HG11 VAL 16 HG11 VAL 16 -6.748 4.598 1.874 126 HG12 VAL 16 HG12 VAL 16 -8.174 3.706 1.347 127 HG13 VAL 16 HG13 VAL 16 -6.624 3.442 0.547 128 HG21 VAL 16 HG21 VAL 16 -8.543 5.184 -1.880 129 HG22 VAL 16 HG22 VAL 16 -6.797 4.945 -1.932 130 HG23 VAL 16 HG23 VAL 16 -7.846 3.658 -1.338 131 H ARG 17 H ARG 17 -7.669 8.086 1.221 132 HA ARG 17 HA ARG 17 -7.388 7.499 3.961 133 HB2 ARG 17 HB2 ARG 17 -6.007 9.143 2.686 134 HB3 ARG 17 HB3 ARG 17 -7.391 10.228 2.663 135 HG2 ARG 17 HG2 ARG 17 -7.009 9.488 5.348 136 HG3 ARG 17 HG3 ARG 17 -5.414 9.860 4.692 137 HD2 ARG 17 HD2 ARG 17 -5.942 12.050 4.282 138 HD3 ARG 17 HD3 ARG 17 -7.658 11.710 4.074 139 HE ARG 17 HE ARG 17 -6.705 11.324 6.761 140 HH11 ARG 17 HH11 ARG 17 -7.983 13.607 4.465 141 HH12 ARG 17 HH12 ARG 17 -8.604 14.678 5.678 142 HH21 ARG 17 HH21 ARG 17 -7.518 12.727 8.367 143 HH22 ARG 17 HH22 ARG 17 -8.338 14.177 7.897 144 H LYS 18 H LYS 18 -9.917 9.060 2.128 145 HA LYS 18 HA LYS 18 -11.274 10.182 4.379 146 HB2 LYS 18 HB2 LYS 18 -11.560 11.098 2.125 147 HB3 LYS 18 HB3 LYS 18 -12.270 9.582 1.588 148 HG2 LYS 18 HG2 LYS 18 -14.201 9.908 2.915 149 HG3 LYS 18 HG3 LYS 18 -13.457 11.251 3.788 150 HD2 LYS 18 HD2 LYS 18 -13.427 12.574 1.732 151 HD3 LYS 18 HD3 LYS 18 -14.155 11.230 0.850 152 HE2 LYS 18 HE2 LYS 18 -15.839 11.607 3.018 153 HE3 LYS 18 HE3 LYS 18 -15.396 13.244 2.531 154 HZ1 LYS 18 HZ1 LYS 18 -17.096 11.350 1.216 155 HZ2 LYS 18 HZ2 LYS 18 -16.981 13.024 1.004 156 HZ3 LYS 18 HZ3 LYS 18 -15.924 11.993 0.178 157 H LYS 19 H LYS 19 -11.599 7.212 2.494 158 HA LYS 19 HA LYS 19 -13.957 6.292 3.765 159 HB2 LYS 19 HB2 LYS 19 -11.852 5.069 2.038 160 HB3 LYS 19 HB3 LYS 19 -12.934 3.998 2.917 161 HG2 LYS 19 HG2 LYS 19 -14.172 6.209 1.387 162 HG3 LYS 19 HG3 LYS 19 -13.461 4.879 0.468 163 HD2 LYS 19 HD2 LYS 19 -14.812 3.428 2.221 164 HD3 LYS 19 HD3 LYS 19 -15.796 4.891 2.312 165 HE2 LYS 19 HE2 LYS 19 -15.998 4.816 -0.175 166 HE3 LYS 19 HE3 LYS 19 -15.174 3.258 -0.145 167 HZ1 LYS 19 HZ1 LYS 19 -17.904 3.867 0.406 168 HZ2 LYS 19 HZ2 LYS 19 -17.175 2.367 0.121 169 HZ3 LYS 19 HZ3 LYS 19 -17.196 3.014 1.683 170 H PHE 20 H PHE 20 -10.514 5.734 4.365 171 HA PHE 20 HA PHE 20 -11.195 4.830 7.064 172 HB2 PHE 20 HB2 PHE 20 -9.140 3.376 5.400 173 HB3 PHE 20 HB3 PHE 20 -9.792 2.906 6.966 174 HD1 PHE 20 HD1 PHE 20 -9.935 2.299 3.542 175 HD2 PHE 20 HD2 PHE 20 -12.431 2.601 6.976 176 HE1 PHE 20 HE1 PHE 20 -11.645 0.936 2.415 177 HE2 PHE 20 HE2 PHE 20 -14.145 1.237 5.855 178 HZ PHE 20 HZ PHE 20 -13.753 0.404 3.571 179 HA PRO 21 HA PRO 21 -7.821 7.990 7.035 180 HB2 PRO 21 HB2 PRO 21 -8.805 9.381 9.149 181 HB3 PRO 21 HB3 PRO 21 -9.330 9.664 7.484 182 HG2 PRO 21 HG2 PRO 21 -10.655 8.068 9.643 183 HG3 PRO 21 HG3 PRO 21 -11.378 9.195 8.481 184 HD2 PRO 21 HD2 PRO 21 -11.473 6.509 8.157 185 HD3 PRO 21 HD3 PRO 21 -11.396 7.634 6.785 186 H GLN 22 H GLN 22 -9.245 5.969 9.508 187 HA GLN 22 HA GLN 22 -7.238 6.364 11.481 188 HB2 GLN 22 HB2 GLN 22 -9.635 4.791 11.175 189 HB3 GLN 22 HB3 GLN 22 -8.344 3.805 11.848 190 HG2 GLN 22 HG2 GLN 22 -9.368 6.411 12.950 191 HG3 GLN 22 HG3 GLN 22 -9.645 4.802 13.615 192 HE21 GLN 22 HE21 GLN 22 -8.256 7.329 14.574 193 HE22 GLN 22 HE22 GLN 22 -6.731 6.766 15.158 194 H VAL 23 H VAL 23 -7.489 4.365 8.660 195 HA VAL 23 HA VAL 23 -5.340 2.593 9.439 196 HB VAL 23 HB VAL 23 -7.362 2.106 7.839 197 HG11 VAL 23 HG11 VAL 23 -5.461 2.646 5.646 198 HG12 VAL 23 HG12 VAL 23 -7.223 2.724 5.668 199 HG13 VAL 23 HG13 VAL 23 -6.273 4.049 6.340 200 HG21 VAL 23 HG21 VAL 23 -6.299 0.162 7.681 201 HG22 VAL 23 HG22 VAL 23 -5.142 0.847 6.542 202 HG23 VAL 23 HG23 VAL 23 -4.836 0.946 8.276 203 H GLU 24 H GLU 24 -3.476 2.294 7.883 204 HA GLU 24 HA GLU 24 -2.175 4.855 7.540 205 HB2 GLU 24 HB2 GLU 24 -1.271 1.997 7.267 206 HB3 GLU 24 HB3 GLU 24 -0.250 3.337 6.762 207 HG2 GLU 24 HG2 GLU 24 0.504 3.423 8.838 208 HG3 GLU 24 HG3 GLU 24 -1.080 4.030 9.315 209 H VAL 25 H VAL 25 -1.886 5.922 5.685 210 HA VAL 25 HA VAL 25 -2.386 4.515 3.151 211 HB VAL 25 HB VAL 25 -4.410 5.756 3.639 212 HG11 VAL 25 HG11 VAL 25 -3.393 8.445 3.445 213 HG12 VAL 25 HG12 VAL 25 -4.430 7.723 4.675 214 HG13 VAL 25 HG13 VAL 25 -2.677 7.601 4.818 215 HG21 VAL 25 HG21 VAL 25 -4.650 6.475 1.523 216 HG22 VAL 25 HG22 VAL 25 -3.290 7.590 1.642 217 HG23 VAL 25 HG23 VAL 25 -3.003 5.881 1.313 218 H ARG 26 H ARG 26 -0.775 4.756 1.755 219 HA ARG 26 HA ARG 26 0.783 7.234 1.755 220 HB2 ARG 26 HB2 ARG 26 1.945 4.456 1.991 221 HB3 ARG 26 HB3 ARG 26 2.887 5.872 1.547 222 HG2 ARG 26 HG2 ARG 26 1.296 6.042 4.036 223 HG3 ARG 26 HG3 ARG 26 2.710 4.986 4.046 224 HD2 ARG 26 HD2 ARG 26 4.140 6.712 4.023 225 HD3 ARG 26 HD3 ARG 26 3.200 7.591 2.819 226 HE ARG 26 HE ARG 26 1.979 7.601 5.409 227 HH11 ARG 26 HH11 ARG 26 4.372 9.131 3.396 228 HH12 ARG 26 HH12 ARG 26 4.312 10.640 4.246 229 HH21 ARG 26 HH21 ARG 26 1.890 9.582 6.536 230 HH22 ARG 26 HH22 ARG 26 2.900 10.895 6.032 231 H VAL 27 H VAL 27 0.773 8.003 -0.242 232 HA VAL 27 HA VAL 27 0.270 6.212 -2.487 233 HB VAL 27 HB VAL 27 -1.082 8.192 -2.462 234 HG11 VAL 27 HG11 VAL 27 -0.333 10.072 -1.552 235 HG12 VAL 27 HG12 VAL 27 1.309 9.430 -1.511 236 HG13 VAL 27 HG13 VAL 27 0.736 10.296 -2.937 237 HG21 VAL 27 HG21 VAL 27 0.739 9.113 -4.560 238 HG22 VAL 27 HG22 VAL 27 0.401 7.383 -4.609 239 HG23 VAL 27 HG23 VAL 27 -0.927 8.543 -4.671 240 H VAL 28 H VAL 28 1.751 5.638 -3.956 241 HA VAL 28 HA VAL 28 4.375 6.981 -3.869 242 HB VAL 28 HB VAL 28 5.483 4.913 -4.312 243 HG11 VAL 28 HG11 VAL 28 4.826 3.554 -2.337 244 HG12 VAL 28 HG12 VAL 28 5.021 5.270 -1.983 245 HG13 VAL 28 HG13 VAL 28 3.406 4.583 -2.153 246 HG21 VAL 28 HG21 VAL 28 2.765 4.007 -5.016 247 HG22 VAL 28 HG22 VAL 28 4.326 3.571 -5.713 248 HG23 VAL 28 HG23 VAL 28 3.792 2.820 -4.210 249 H THR 29 H THR 29 5.417 7.373 -5.803 250 HA THR 29 HA THR 29 3.898 6.769 -8.254 251 HB THR 29 HB THR 29 4.593 8.950 -9.175 252 HG1 THR 29 HG1 THR 29 6.385 9.482 -7.987 253 HG21 THR 29 HG21 THR 29 2.693 9.850 -8.413 254 HG22 THR 29 HG22 THR 29 2.568 8.454 -7.343 255 HG23 THR 29 HG23 THR 29 3.315 9.943 -6.766 256 H THR 30 H THR 30 7.020 7.331 -6.752 257 HA THR 30 HA THR 30 8.310 6.125 -9.114 258 HB THR 30 HB THR 30 10.228 7.527 -7.522 259 HG1 THR 30 HG1 THR 30 8.303 9.320 -8.539 260 HG21 THR 30 HG21 THR 30 9.224 8.416 -10.205 261 HG22 THR 30 HG22 THR 30 10.867 8.450 -9.566 262 HG23 THR 30 HG23 THR 30 10.134 6.916 -10.033 263 H GLU 31 H GLU 31 10.518 5.155 -8.496 264 HA GLU 31 HA GLU 31 10.062 3.074 -6.634 265 HB2 GLU 31 HB2 GLU 31 12.736 3.911 -7.758 266 HB3 GLU 31 HB3 GLU 31 12.277 2.322 -7.162 267 HG2 GLU 31 HG2 GLU 31 11.697 1.739 -9.209 268 HG3 GLU 31 HG3 GLU 31 10.453 2.987 -9.202 269 H GLU 32 H GLU 32 11.807 6.121 -6.461 270 HA GLU 32 HA GLU 32 13.089 5.604 -3.977 271 HB2 GLU 32 HB2 GLU 32 12.461 8.181 -5.422 272 HB3 GLU 32 HB3 GLU 32 13.396 8.105 -3.935 273 HG2 GLU 32 HG2 GLU 32 14.986 6.577 -5.123 274 HG3 GLU 32 HG3 GLU 32 14.110 6.938 -6.610 275 H ASP 33 H ASP 33 10.060 7.172 -4.891 276 HA ASP 33 HA ASP 33 9.349 8.190 -2.384 277 HB2 ASP 33 HB2 ASP 33 7.958 7.581 -4.912 278 HB3 ASP 33 HB3 ASP 33 6.930 7.588 -3.481 279 H ALA 34 H ALA 34 8.382 5.116 -3.907 280 HA ALA 34 HA ALA 34 6.916 4.100 -1.762 281 HB1 ALA 34 HB1 ALA 34 7.926 1.847 -2.912 282 HB2 ALA 34 HB2 ALA 34 6.524 2.739 -3.501 283 HB3 ALA 34 HB3 ALA 34 8.113 3.025 -4.211 284 H LYS 35 H LYS 35 10.367 3.836 -2.504 285 HA LYS 35 HA LYS 35 11.160 2.000 -0.607 286 HB2 LYS 35 HB2 LYS 35 12.420 3.987 -2.245 287 HB3 LYS 35 HB3 LYS 35 13.133 4.033 -0.638 288 HG2 LYS 35 HG2 LYS 35 13.379 1.505 -0.862 289 HG3 LYS 35 HG3 LYS 35 13.039 1.748 -2.576 290 HD2 LYS 35 HD2 LYS 35 15.066 2.638 -2.975 291 HD3 LYS 35 HD3 LYS 35 15.067 3.556 -1.467 292 HE2 LYS 35 HE2 LYS 35 16.840 1.939 -1.385 293 HE3 LYS 35 HE3 LYS 35 15.581 1.453 -0.251 294 HZ1 LYS 35 HZ1 LYS 35 16.687 -0.134 -2.146 295 HZ2 LYS 35 HZ2 LYS 35 15.212 -0.424 -1.369 296 HZ3 LYS 35 HZ3 LYS 35 15.237 0.341 -2.878 297 H GLN 36 H GLN 36 10.940 5.533 -0.201 298 HA GLN 36 HA GLN 36 11.630 5.524 2.540 299 HB2 GLN 36 HB2 GLN 36 9.956 7.600 1.126 300 HB3 GLN 36 HB3 GLN 36 10.944 7.822 2.564 301 HG2 GLN 36 HG2 GLN 36 12.655 6.845 0.558 302 HG3 GLN 36 HG3 GLN 36 11.663 8.100 -0.184 303 HE21 GLN 36 HE21 GLN 36 14.553 7.871 0.757 304 HE22 GLN 36 HE22 GLN 36 14.799 9.314 1.674 305 H VAL 37 H VAL 37 8.630 5.050 0.837 306 HA VAL 37 HA VAL 37 6.889 5.494 3.042 307 HB VAL 37 HB VAL 37 6.486 3.946 0.483 308 HG11 VAL 37 HG11 VAL 37 4.576 4.573 2.717 309 HG12 VAL 37 HG12 VAL 37 4.031 4.215 1.078 310 HG13 VAL 37 HG13 VAL 37 4.938 3.007 1.990 311 HG21 VAL 37 HG21 VAL 37 6.279 5.972 -0.410 312 HG22 VAL 37 HG22 VAL 37 4.842 6.204 0.586 313 HG23 VAL 37 HG23 VAL 37 6.417 6.740 1.171 314 H VAL 38 H VAL 38 7.986 2.482 1.474 315 HA VAL 38 HA VAL 38 6.834 0.695 3.269 316 HB VAL 38 HB VAL 38 7.767 -0.052 1.153 317 HG11 VAL 38 HG11 VAL 38 9.688 1.434 1.028 318 HG12 VAL 38 HG12 VAL 38 10.454 0.582 2.368 319 HG13 VAL 38 HG13 VAL 38 10.193 -0.244 0.833 320 HG21 VAL 38 HG21 VAL 38 8.034 -2.090 2.006 321 HG22 VAL 38 HG22 VAL 38 9.557 -1.633 2.771 322 HG23 VAL 38 HG23 VAL 38 8.029 -1.350 3.608 323 H LYS 39 H LYS 39 9.873 2.451 3.441 324 HA LYS 39 HA LYS 39 10.940 1.043 5.662 325 HB2 LYS 39 HB2 LYS 39 12.025 2.743 3.926 326 HB3 LYS 39 HB3 LYS 39 11.653 3.899 5.198 327 HG2 LYS 39 HG2 LYS 39 13.156 2.981 6.666 328 HG3 LYS 39 HG3 LYS 39 13.088 1.388 5.907 329 HD2 LYS 39 HD2 LYS 39 14.093 2.878 3.879 330 HD3 LYS 39 HD3 LYS 39 14.766 3.725 5.274 331 HE2 LYS 39 HE2 LYS 39 15.128 1.035 5.855 332 HE3 LYS 39 HE3 LYS 39 15.483 1.157 4.133 333 HZ1 LYS 39 HZ1 LYS 39 17.395 1.528 5.719 334 HZ2 LYS 39 HZ2 LYS 39 17.172 2.709 4.528 335 HZ3 LYS 39 HZ3 LYS 39 16.670 3.005 6.115 336 H GLU 40 H GLU 40 9.010 3.989 5.344 337 HA GLU 40 HA GLU 40 9.095 4.785 8.035 338 HB2 GLU 40 HB2 GLU 40 7.892 5.703 5.687 339 HB3 GLU 40 HB3 GLU 40 6.551 5.382 6.778 340 HG2 GLU 40 HG2 GLU 40 6.932 7.301 7.798 341 HG3 GLU 40 HG3 GLU 40 8.532 6.728 8.269 342 H VAL 41 H VAL 41 6.713 2.807 6.285 343 HA VAL 41 HA VAL 41 5.075 2.315 8.550 344 HB VAL 41 HB VAL 41 4.026 0.561 7.198 345 HG11 VAL 41 HG11 VAL 41 4.107 3.288 6.642 346 HG12 VAL 41 HG12 VAL 41 4.243 2.500 5.069 347 HG13 VAL 41 HG13 VAL 41 2.877 2.135 6.124 348 HG21 VAL 41 HG21 VAL 41 5.966 -0.394 6.133 349 HG22 VAL 41 HG22 VAL 41 4.840 0.156 4.892 350 HG23 VAL 41 HG23 VAL 41 6.275 1.111 5.265 351 H GLN 42 H GLN 42 7.835 0.665 7.140 352 HA GLN 42 HA GLN 42 7.644 -1.776 8.484 353 HB2 GLN 42 HB2 GLN 42 9.764 -0.264 7.104 354 HB3 GLN 42 HB3 GLN 42 10.336 -1.421 8.299 355 HG2 GLN 42 HG2 GLN 42 8.823 -3.109 7.125 356 HG3 GLN 42 HG3 GLN 42 8.737 -1.930 5.818 357 HE21 GLN 42 HE21 GLN 42 11.178 -0.959 5.568 358 HE22 GLN 42 HE22 GLN 42 12.328 -2.198 5.212 359 H LYS 43 H LYS 43 9.119 1.282 9.466 360 HA LYS 43 HA LYS 43 10.186 0.278 11.912 361 HB2 LYS 43 HB2 LYS 43 10.147 2.782 10.479 362 HB3 LYS 43 HB3 LYS 43 9.792 3.050 12.181 363 HG2 LYS 43 HG2 LYS 43 11.871 1.500 12.542 364 HG3 LYS 43 HG3 LYS 43 12.267 2.008 10.898 365 HD2 LYS 43 HD2 LYS 43 11.470 4.129 12.807 366 HD3 LYS 43 HD3 LYS 43 13.042 3.369 13.066 367 HE2 LYS 43 HE2 LYS 43 13.892 4.138 11.071 368 HE3 LYS 43 HE3 LYS 43 12.303 4.269 10.322 369 HZ1 LYS 43 HZ1 LYS 43 13.084 6.029 12.561 370 HZ2 LYS 43 HZ2 LYS 43 13.499 6.410 10.965 371 HZ3 LYS 43 HZ3 LYS 43 11.871 6.264 11.404 372 H LYS 44 H LYS 44 7.183 1.861 10.986 373 HA LYS 44 HA LYS 44 6.222 2.301 13.619 374 HB2 LYS 44 HB2 LYS 44 5.430 3.282 11.323 375 HB3 LYS 44 HB3 LYS 44 4.388 1.866 11.287 376 HG2 LYS 44 HG2 LYS 44 2.920 3.019 12.477 377 HG3 LYS 44 HG3 LYS 44 4.048 2.940 13.834 378 HD2 LYS 44 HD2 LYS 44 4.106 5.083 11.713 379 HD3 LYS 44 HD3 LYS 44 3.273 5.248 13.260 380 HE2 LYS 44 HE2 LYS 44 5.616 4.541 14.221 381 HE3 LYS 44 HE3 LYS 44 6.193 5.145 12.668 382 HZ1 LYS 44 HZ1 LYS 44 6.277 7.021 13.955 383 HZ2 LYS 44 HZ2 LYS 44 4.731 7.183 13.288 384 HZ3 LYS 44 HZ3 LYS 44 4.915 6.610 14.870 385 H GLY 45 H GLY 45 6.041 -0.401 11.386 386 HA2 GLY 45 HA2 GLY 45 5.899 -2.621 12.434 387 HA3 GLY 45 HA3 GLY 45 4.680 -1.948 13.505 388 H VAL 46 H VAL 46 5.300 -2.369 10.021 389 HA VAL 46 HA VAL 46 2.432 -2.580 9.539 390 HB VAL 46 HB VAL 46 3.945 -1.238 8.031 391 HG11 VAL 46 HG11 VAL 46 5.331 -2.350 6.437 392 HG12 VAL 46 HG12 VAL 46 5.788 -2.928 8.039 393 HG13 VAL 46 HG13 VAL 46 4.790 -3.935 6.990 394 HG21 VAL 46 HG21 VAL 46 2.749 -1.806 6.053 395 HG22 VAL 46 HG22 VAL 46 2.484 -3.457 6.613 396 HG23 VAL 46 HG23 VAL 46 1.672 -2.112 7.414 397 H GLN 47 H GLN 47 1.563 -4.349 8.260 398 HA GLN 47 HA GLN 47 3.077 -6.855 8.553 399 HB2 GLN 47 HB2 GLN 47 0.986 -6.286 10.141 400 HB3 GLN 47 HB3 GLN 47 0.120 -6.976 8.775 401 HG2 GLN 47 HG2 GLN 47 0.457 -8.887 9.911 402 HG3 GLN 47 HG3 GLN 47 2.006 -8.844 9.069 403 HE21 GLN 47 HE21 GLN 47 0.620 -7.299 11.953 404 HE22 GLN 47 HE22 GLN 47 1.936 -7.689 13.002 405 H LYS 48 H LYS 48 0.599 -5.060 6.816 406 HA LYS 48 HA LYS 48 0.974 -6.886 4.534 407 HB2 LYS 48 HB2 LYS 48 -1.486 -5.779 5.753 408 HB3 LYS 48 HB3 LYS 48 -1.433 -5.780 3.995 409 HG2 LYS 48 HG2 LYS 48 -2.410 -7.809 4.427 410 HG3 LYS 48 HG3 LYS 48 -0.710 -8.264 4.289 411 HD2 LYS 48 HD2 LYS 48 -1.059 -7.568 6.969 412 HD3 LYS 48 HD3 LYS 48 -2.501 -8.494 6.545 413 HE2 LYS 48 HE2 LYS 48 0.271 -9.439 5.868 414 HE3 LYS 48 HE3 LYS 48 -0.490 -9.795 7.419 415 HZ1 LYS 48 HZ1 LYS 48 -0.739 -11.525 5.625 416 HZ2 LYS 48 HZ2 LYS 48 -2.173 -11.030 6.375 417 HZ3 LYS 48 HZ3 LYS 48 -1.779 -10.450 4.835 418 H VAL 49 H VAL 49 0.622 -5.878 2.406 419 HA VAL 49 HA VAL 49 0.921 -2.980 2.311 420 HB VAL 49 HB VAL 49 2.921 -4.788 0.952 421 HG11 VAL 49 HG11 VAL 49 3.713 -2.985 -0.123 422 HG12 VAL 49 HG12 VAL 49 2.131 -2.287 0.221 423 HG13 VAL 49 HG13 VAL 49 3.498 -1.935 1.277 424 HG21 VAL 49 HG21 VAL 49 3.246 -3.049 3.396 425 HG22 VAL 49 HG22 VAL 49 3.292 -4.811 3.351 426 HG23 VAL 49 HG23 VAL 49 4.555 -3.876 2.551 427 H VAL 50 H VAL 50 -0.630 -2.379 0.956 428 HA VAL 50 HA VAL 50 -1.106 -4.011 -1.453 429 HB VAL 50 HB VAL 50 -3.073 -2.163 -0.099 430 HG11 VAL 50 HG11 VAL 50 -3.374 -4.133 -2.362 431 HG12 VAL 50 HG12 VAL 50 -4.711 -3.298 -1.569 432 HG13 VAL 50 HG13 VAL 50 -3.500 -2.377 -2.461 433 HG21 VAL 50 HG21 VAL 50 -3.530 -3.796 1.334 434 HG22 VAL 50 HG22 VAL 50 -3.906 -4.870 -0.012 435 HG23 VAL 50 HG23 VAL 50 -2.263 -4.792 0.621 436 H VAL 51 H VAL 51 -1.207 -3.023 -3.432 437 HA VAL 51 HA VAL 51 -0.784 -0.114 -3.523 438 HB VAL 51 HB VAL 51 0.803 -0.439 -5.410 439 HG11 VAL 51 HG11 VAL 51 2.636 -1.512 -3.844 440 HG12 VAL 51 HG12 VAL 51 1.961 0.083 -3.510 441 HG13 VAL 51 HG13 VAL 51 1.370 -1.326 -2.629 442 HG21 VAL 51 HG21 VAL 51 1.581 -2.493 -6.091 443 HG22 VAL 51 HG22 VAL 51 1.179 -3.273 -4.561 444 HG23 VAL 51 HG23 VAL 51 -0.097 -2.881 -5.713 445 H VAL 52 H VAL 52 -1.597 0.943 -5.345 446 HA VAL 52 HA VAL 52 -3.354 -0.692 -7.059 447 HB VAL 52 HB VAL 52 -3.908 2.176 -6.326 448 HG11 VAL 52 HG11 VAL 52 -5.963 1.891 -7.333 449 HG12 VAL 52 HG12 VAL 52 -4.928 0.897 -8.359 450 HG13 VAL 52 HG13 VAL 52 -5.939 0.140 -7.128 451 HG21 VAL 52 HG21 VAL 52 -4.425 1.513 -4.263 452 HG22 VAL 52 HG22 VAL 52 -5.747 0.588 -4.975 453 HG23 VAL 52 HG23 VAL 52 -4.190 -0.185 -4.679 454 H GLY 53 H GLY 53 -3.119 -0.476 -9.203 455 HA2 GLY 53 HA2 GLY 53 -2.426 0.335 -11.240 456 HA3 GLY 53 HA3 GLY 53 -2.252 1.909 -10.480 457 H VAL 54 H VAL 54 -0.513 -0.444 -8.823 458 HA VAL 54 HA VAL 54 1.985 0.586 -9.935 459 HB VAL 54 HB VAL 54 1.461 -1.049 -7.450 460 HG11 VAL 54 HG11 VAL 54 3.899 -0.263 -6.991 461 HG12 VAL 54 HG12 VAL 54 3.613 -1.680 -8.001 462 HG13 VAL 54 HG13 VAL 54 3.990 -0.127 -8.747 463 HG21 VAL 54 HG21 VAL 54 0.659 1.243 -7.286 464 HG22 VAL 54 HG22 VAL 54 2.080 1.011 -6.267 465 HG23 VAL 54 HG23 VAL 54 2.230 1.846 -7.814 466 H SER 55 H SER 55 3.578 -0.699 -10.809 467 HA SER 55 HA SER 55 2.746 -3.052 -12.144 468 HB2 SER 55 HB2 SER 55 5.655 -2.563 -11.804 469 HB3 SER 55 HB3 SER 55 4.733 -2.916 -13.265 470 HG SER 55 HG SER 55 4.736 -0.861 -13.639 471 H GLU 56 H GLU 56 3.275 -5.200 -11.813 472 HA GLU 56 HA GLU 56 3.539 -6.025 -9.109 473 HB2 GLU 56 HB2 GLU 56 3.586 -8.308 -10.030 474 HB3 GLU 56 HB3 GLU 56 2.274 -7.352 -10.704 475 HG2 GLU 56 HG2 GLU 56 3.893 -6.876 -12.641 476 HG3 GLU 56 HG3 GLU 56 4.814 -8.241 -12.009 477 H LYS 57 H LYS 57 5.756 -5.874 -11.844 478 HA LYS 57 HA LYS 57 7.892 -7.306 -10.749 479 HB2 LYS 57 HB2 LYS 57 9.277 -6.234 -12.401 480 HB3 LYS 57 HB3 LYS 57 7.710 -6.575 -13.124 481 HG2 LYS 57 HG2 LYS 57 7.921 -4.456 -13.855 482 HG3 LYS 57 HG3 LYS 57 7.257 -4.081 -12.263 483 HD2 LYS 57 HD2 LYS 57 9.254 -3.323 -11.458 484 HD3 LYS 57 HD3 LYS 57 10.203 -4.390 -12.496 485 HE2 LYS 57 HE2 LYS 57 8.628 -2.352 -13.911 486 HE3 LYS 57 HE3 LYS 57 9.908 -1.716 -12.879 487 HZ1 LYS 57 HZ1 LYS 57 10.293 -2.521 -15.388 488 HZ2 LYS 57 HZ2 LYS 57 11.505 -2.536 -14.208 489 HZ3 LYS 57 HZ3 LYS 57 10.656 -3.954 -14.566 490 H VAL 58 H VAL 58 6.852 -3.996 -10.274 491 HA VAL 58 HA VAL 58 9.223 -3.127 -8.939 492 HB VAL 58 HB VAL 58 6.439 -1.957 -8.867 493 HG11 VAL 58 HG11 VAL 58 9.028 -1.118 -7.687 494 HG12 VAL 58 HG12 VAL 58 8.003 0.136 -8.384 495 HG13 VAL 58 HG13 VAL 58 7.383 -0.891 -7.091 496 HG21 VAL 58 HG21 VAL 58 8.788 -1.008 -10.490 497 HG22 VAL 58 HG22 VAL 58 7.591 -2.143 -11.116 498 HG23 VAL 58 HG23 VAL 58 7.099 -0.522 -10.625 499 H VAL 59 H VAL 59 5.937 -3.834 -7.738 500 HA VAL 59 HA VAL 59 6.577 -3.666 -5.009 501 HB VAL 59 HB VAL 59 4.493 -4.963 -4.625 502 HG11 VAL 59 HG11 VAL 59 3.494 -3.132 -6.632 503 HG12 VAL 59 HG12 VAL 59 3.365 -3.060 -4.874 504 HG13 VAL 59 HG13 VAL 59 4.794 -2.414 -5.680 505 HG21 VAL 59 HG21 VAL 59 4.430 -6.518 -6.384 506 HG22 VAL 59 HG22 VAL 59 3.111 -5.399 -6.726 507 HG23 VAL 59 HG23 VAL 59 4.630 -5.267 -7.610 508 H GLN 60 H GLN 60 6.638 -6.376 -7.267 509 HA GLN 60 HA GLN 60 6.999 -8.466 -5.466 510 HB2 GLN 60 HB2 GLN 60 7.787 -8.033 -8.322 511 HB3 GLN 60 HB3 GLN 60 8.362 -9.463 -7.474 512 HG2 GLN 60 HG2 GLN 60 5.455 -8.734 -7.572 513 HG3 GLN 60 HG3 GLN 60 6.231 -9.682 -8.840 514 HE21 GLN 60 HE21 GLN 60 7.698 -11.481 -7.789 515 HE22 GLN 60 HE22 GLN 60 6.881 -12.456 -6.620 516 H LYS 61 H LYS 61 9.471 -6.522 -7.137 517 HA LYS 61 HA LYS 61 11.728 -7.725 -6.053 518 HB2 LYS 61 HB2 LYS 61 11.152 -5.431 -7.612 519 HB3 LYS 61 HB3 LYS 61 12.171 -4.901 -6.281 520 HG2 LYS 61 HG2 LYS 61 13.788 -6.684 -6.875 521 HG3 LYS 61 HG3 LYS 61 12.788 -7.066 -8.279 522 HD2 LYS 61 HD2 LYS 61 13.186 -4.294 -8.363 523 HD3 LYS 61 HD3 LYS 61 14.754 -4.988 -7.942 524 HE2 LYS 61 HE2 LYS 61 13.049 -5.898 -10.256 525 HE3 LYS 61 HE3 LYS 61 14.375 -4.744 -10.390 526 HZ1 LYS 61 HZ1 LYS 61 15.840 -6.391 -10.426 527 HZ2 LYS 61 HZ2 LYS 61 15.198 -7.099 -9.030 528 HZ3 LYS 61 HZ3 LYS 61 14.552 -7.482 -10.547 529 H VAL 62 H VAL 62 10.354 -4.616 -4.960 530 HA VAL 62 HA VAL 62 11.810 -4.357 -2.630 531 HB VAL 62 HB VAL 62 8.955 -3.479 -3.086 532 HG11 VAL 62 HG11 VAL 62 10.870 -3.058 -0.878 533 HG12 VAL 62 HG12 VAL 62 9.982 -1.636 -1.425 534 HG13 VAL 62 HG13 VAL 62 9.106 -3.062 -0.869 535 HG21 VAL 62 HG21 VAL 62 10.366 -1.247 -3.404 536 HG22 VAL 62 HG22 VAL 62 11.591 -2.405 -3.923 537 HG23 VAL 62 HG23 VAL 62 10.030 -2.345 -4.742 538 H LYS 63 H LYS 63 8.731 -6.037 -3.127 539 HA LYS 63 HA LYS 63 8.080 -6.666 -0.521 540 HB2 LYS 63 HB2 LYS 63 6.523 -7.190 -2.236 541 HB3 LYS 63 HB3 LYS 63 7.685 -8.204 -3.082 542 HG2 LYS 63 HG2 LYS 63 7.051 -9.036 -0.333 543 HG3 LYS 63 HG3 LYS 63 5.724 -9.144 -1.492 544 HD2 LYS 63 HD2 LYS 63 7.194 -10.446 -2.996 545 HD3 LYS 63 HD3 LYS 63 8.458 -10.395 -1.765 546 HE2 LYS 63 HE2 LYS 63 5.740 -11.436 -1.079 547 HE3 LYS 63 HE3 LYS 63 6.887 -12.467 -1.935 548 HZ1 LYS 63 HZ1 LYS 63 7.614 -11.072 0.569 549 HZ2 LYS 63 HZ2 LYS 63 6.874 -12.594 0.581 550 HZ3 LYS 63 HZ3 LYS 63 8.382 -12.391 -0.159 551 H GLN 64 H GLN 64 10.258 -8.397 -2.719 552 HA GLN 64 HA GLN 64 10.831 -10.551 -1.004 553 HB2 GLN 64 HB2 GLN 64 12.379 -9.311 -3.275 554 HB3 GLN 64 HB3 GLN 64 12.937 -10.741 -2.418 555 HG2 GLN 64 HG2 GLN 64 11.204 -12.056 -3.222 556 HG3 GLN 64 HG3 GLN 64 10.207 -10.662 -3.633 557 HE21 GLN 64 HE21 GLN 64 10.963 -12.915 -5.290 558 HE22 GLN 64 HE22 GLN 64 11.798 -12.260 -6.654 559 H GLU 65 H GLU 65 12.474 -7.446 -1.498 560 HA GLU 65 HA GLU 65 14.465 -8.014 0.502 561 HB2 GLU 65 HB2 GLU 65 13.858 -5.776 -1.349 562 HB3 GLU 65 HB3 GLU 65 14.731 -5.369 0.120 563 HG2 GLU 65 HG2 GLU 65 15.818 -7.711 -1.205 564 HG3 GLU 65 HG3 GLU 65 15.826 -6.279 -2.233 565 H ALA 66 H ALA 66 11.281 -7.297 0.727 566 HA ALA 66 HA ALA 66 11.556 -5.587 3.095 567 HB1 ALA 66 HB1 ALA 66 9.181 -5.175 2.899 568 HB2 ALA 66 HB2 ALA 66 9.968 -4.875 1.350 569 HB3 ALA 66 HB3 ALA 66 9.054 -6.362 1.602 570 H ASN 67 H ASN 67 10.526 -8.763 2.052 571 HA ASN 67 HA ASN 67 10.062 -10.670 3.204 572 HB2 ASN 67 HB2 ASN 67 12.072 -9.650 4.593 573 HB3 ASN 67 HB3 ASN 67 10.822 -9.426 5.813 574 HD21 ASN 67 HD21 ASN 67 13.035 -11.084 6.147 575 HD22 ASN 67 HD22 ASN 67 12.487 -12.719 6.257 576 H VAL 68 H VAL 68 7.943 -9.035 2.699 577 HA VAL 68 HA VAL 68 6.211 -9.616 4.983 578 HB VAL 68 HB VAL 68 5.065 -7.430 4.751 579 HG11 VAL 68 HG11 VAL 68 6.697 -6.140 5.991 580 HG12 VAL 68 HG12 VAL 68 6.757 -7.828 6.499 581 HG13 VAL 68 HG13 VAL 68 7.997 -7.186 5.420 582 HG21 VAL 68 HG21 VAL 68 7.007 -5.799 3.622 583 HG22 VAL 68 HG22 VAL 68 6.910 -7.181 2.533 584 HG23 VAL 68 HG23 VAL 68 5.461 -6.248 2.903 585 H GLN 69 H GLN 69 3.840 -9.148 4.317 586 HA GLN 69 HA GLN 69 3.403 -10.548 1.814 587 HB2 GLN 69 HB2 GLN 69 1.898 -10.086 4.284 588 HB3 GLN 69 HB3 GLN 69 0.909 -9.982 2.833 589 HG2 GLN 69 HG2 GLN 69 2.632 -12.308 3.659 590 HG3 GLN 69 HG3 GLN 69 0.872 -12.225 3.726 591 HE21 GLN 69 HE21 GLN 69 1.915 -14.287 2.418 592 HE22 GLN 69 HE22 GLN 69 1.741 -14.105 0.709 593 H VAL 70 H VAL 70 3.026 -9.549 -0.040 594 HA VAL 70 HA VAL 70 1.891 -6.828 0.031 595 HB VAL 70 HB VAL 70 3.793 -7.931 -2.041 596 HG11 VAL 70 HG11 VAL 70 2.469 -5.257 -1.675 597 HG12 VAL 70 HG12 VAL 70 3.918 -5.469 -2.657 598 HG13 VAL 70 HG13 VAL 70 2.432 -6.316 -3.084 599 HG21 VAL 70 HG21 VAL 70 5.096 -7.636 -0.112 600 HG22 VAL 70 HG22 VAL 70 5.325 -6.150 -1.033 601 HG23 VAL 70 HG23 VAL 70 4.233 -6.169 0.351 602 H TYR 71 H TYR 71 0.401 -6.261 -1.578 603 HA TYR 71 HA TYR 71 -0.495 -8.321 -3.431 604 HB2 TYR 71 HB2 TYR 71 -2.485 -7.015 -1.576 605 HB3 TYR 71 HB3 TYR 71 -2.756 -8.356 -2.685 606 HD1 TYR 71 HD1 TYR 71 -1.856 -7.411 0.648 607 HD2 TYR 71 HD2 TYR 71 -1.587 -10.566 -2.193 608 HE1 TYR 71 HE1 TYR 71 -1.388 -9.000 2.466 609 HE2 TYR 71 HE2 TYR 71 -1.120 -12.164 -0.382 610 HH TYR 71 HH TYR 71 -1.598 -12.290 2.131 611 H ARG 72 H ARG 72 -2.072 -7.495 -5.001 612 HA ARG 72 HA ARG 72 -1.853 -4.577 -5.350 613 HB2 ARG 72 HB2 ARG 72 -1.992 -6.560 -7.616 614 HB3 ARG 72 HB3 ARG 72 -1.582 -4.851 -7.695 615 HG2 ARG 72 HG2 ARG 72 0.505 -5.703 -7.841 616 HG3 ARG 72 HG3 ARG 72 0.373 -5.652 -6.082 617 HD2 ARG 72 HD2 ARG 72 -0.753 -8.080 -6.728 618 HD3 ARG 72 HD3 ARG 72 0.573 -7.935 -7.880 619 HE ARG 72 HE ARG 72 1.309 -7.334 -5.163 620 HH11 ARG 72 HH11 ARG 72 0.938 -9.838 -7.554 621 HH12 ARG 72 HH12 ARG 72 2.058 -10.915 -6.788 622 HH21 ARG 72 HH21 ARG 72 2.786 -8.744 -4.147 623 HH22 ARG 72 HH22 ARG 72 3.108 -10.292 -4.850 624 H VAL 73 H VAL 73 -3.577 -3.608 -6.657 625 HA VAL 73 HA VAL 73 -6.046 -5.143 -6.863 626 HB VAL 73 HB VAL 73 -7.316 -3.273 -5.724 627 HG11 VAL 73 HG11 VAL 73 -6.457 -5.592 -4.760 628 HG12 VAL 73 HG12 VAL 73 -5.567 -4.522 -3.677 629 HG13 VAL 73 HG13 VAL 73 -7.325 -4.427 -3.759 630 HG21 VAL 73 HG21 VAL 73 -5.041 -1.886 -5.782 631 HG22 VAL 73 HG22 VAL 73 -6.281 -1.619 -4.558 632 HG23 VAL 73 HG23 VAL 73 -4.873 -2.611 -4.184 633 H THR 74 H THR 74 -7.501 -4.330 -8.356 634 HA THR 74 HA THR 74 -6.521 -2.054 -9.953 635 HB THR 74 HB THR 74 -8.129 -3.249 -11.714 636 HG1 THR 74 HG1 THR 74 -8.699 -5.153 -10.999 637 HG21 THR 74 HG21 THR 74 -5.312 -3.211 -11.192 638 HG22 THR 74 HG22 THR 74 -5.760 -4.770 -11.883 639 HG23 THR 74 HG23 THR 74 -6.152 -3.280 -12.741 640 H SER 75 H SER 75 -9.259 -3.505 -8.357 641 HA SER 75 HA SER 75 -10.941 -1.234 -9.182 642 HB2 SER 75 HB2 SER 75 -11.466 -4.057 -8.956 643 HB3 SER 75 HB3 SER 75 -12.537 -3.163 -7.877 644 HG SER 75 HG SER 75 -13.058 -1.836 -9.724 645 H ASN 76 H ASN 76 -12.529 -0.505 -7.504 646 HA ASN 76 HA ASN 76 -11.130 0.208 -5.128 647 HB2 ASN 76 HB2 ASN 76 -14.043 0.586 -5.860 648 HB3 ASN 76 HB3 ASN 76 -13.223 1.363 -4.508 649 HD21 ASN 76 HD21 ASN 76 -12.390 3.292 -4.855 650 HD22 ASN 76 HD22 ASN 76 -12.047 3.984 -6.400 651 H ASP 77 H ASP 77 -13.575 -2.169 -5.931 652 HA ASP 77 HA ASP 77 -14.383 -2.841 -3.324 653 HB2 ASP 77 HB2 ASP 77 -14.359 -4.392 -5.911 654 HB3 ASP 77 HB3 ASP 77 -14.990 -5.075 -4.415 655 H GLU 78 H GLU 78 -11.546 -3.634 -5.151 656 HA GLU 78 HA GLU 78 -10.775 -5.887 -3.553 657 HB2 GLU 78 HB2 GLU 78 -9.051 -4.190 -5.365 658 HB3 GLU 78 HB3 GLU 78 -8.684 -5.804 -4.775 659 HG2 GLU 78 HG2 GLU 78 -11.066 -5.200 -6.499 660 HG3 GLU 78 HG3 GLU 78 -9.491 -5.644 -7.152 661 H VAL 79 H VAL 79 -10.241 -2.439 -3.463 662 HA VAL 79 HA VAL 79 -8.067 -2.476 -1.626 663 HB VAL 79 HB VAL 79 -10.037 -0.265 -2.231 664 HG11 VAL 79 HG11 VAL 79 -8.079 1.155 -1.378 665 HG12 VAL 79 HG12 VAL 79 -9.073 0.321 -0.184 666 HG13 VAL 79 HG13 VAL 79 -7.499 -0.334 -0.633 667 HG21 VAL 79 HG21 VAL 79 -8.526 -1.246 -4.088 668 HG22 VAL 79 HG22 VAL 79 -8.580 0.503 -3.869 669 HG23 VAL 79 HG23 VAL 79 -7.220 -0.424 -3.235 670 H GLU 80 H GLU 80 -11.560 -1.922 -1.248 671 HA GLU 80 HA GLU 80 -11.443 -1.614 1.577 672 HB2 GLU 80 HB2 GLU 80 -13.918 -1.900 1.461 673 HB3 GLU 80 HB3 GLU 80 -13.293 -0.661 0.380 674 HG2 GLU 80 HG2 GLU 80 -14.146 -1.676 -1.392 675 HG3 GLU 80 HG3 GLU 80 -13.398 -3.209 -0.950 676 H GLN 81 H GLN 81 -11.812 -4.345 -0.569 677 HA GLN 81 HA GLN 81 -12.787 -6.211 1.306 678 HB2 GLN 81 HB2 GLN 81 -11.504 -6.342 -1.368 679 HB3 GLN 81 HB3 GLN 81 -11.466 -7.807 -0.396 680 HG2 GLN 81 HG2 GLN 81 -14.064 -6.412 -0.642 681 HG3 GLN 81 HG3 GLN 81 -13.447 -7.241 -2.070 682 HE21 GLN 81 HE21 GLN 81 -14.188 -9.215 -2.276 683 HE22 GLN 81 HE22 GLN 81 -14.582 -10.302 -0.993 684 H VAL 82 H VAL 82 -9.473 -5.648 0.117 685 HA VAL 82 HA VAL 82 -8.211 -7.493 1.811 686 HB VAL 82 HB VAL 82 -7.053 -6.598 -0.116 687 HG11 VAL 82 HG11 VAL 82 -6.333 -4.321 -0.294 688 HG12 VAL 82 HG12 VAL 82 -8.069 -4.325 0.014 689 HG13 VAL 82 HG13 VAL 82 -6.942 -3.949 1.318 690 HG21 VAL 82 HG21 VAL 82 -5.214 -5.420 1.756 691 HG22 VAL 82 HG22 VAL 82 -5.956 -6.863 2.445 692 HG23 VAL 82 HG23 VAL 82 -5.109 -6.959 0.901 693 H VAL 83 H VAL 83 -8.912 -4.049 2.225 694 HA VAL 83 HA VAL 83 -7.542 -3.753 4.687 695 HB VAL 83 HB VAL 83 -9.821 -2.134 3.544 696 HG11 VAL 83 HG11 VAL 83 -8.989 -0.363 5.096 697 HG12 VAL 83 HG12 VAL 83 -9.729 -1.747 5.903 698 HG13 VAL 83 HG13 VAL 83 -7.974 -1.587 5.860 699 HG21 VAL 83 HG21 VAL 83 -7.314 -2.402 2.530 700 HG22 VAL 83 HG22 VAL 83 -8.325 -0.970 2.335 701 HG23 VAL 83 HG23 VAL 83 -7.105 -1.023 3.609 702 H LYS 84 H LYS 84 -10.952 -4.343 3.890 703 HA LYS 84 HA LYS 84 -12.081 -4.235 6.395 704 HB2 LYS 84 HB2 LYS 84 -13.450 -4.541 4.439 705 HB3 LYS 84 HB3 LYS 84 -12.703 -6.096 4.098 706 HG2 LYS 84 HG2 LYS 84 -13.826 -7.160 5.825 707 HG3 LYS 84 HG3 LYS 84 -14.171 -5.646 6.664 708 HD2 LYS 84 HD2 LYS 84 -15.825 -5.040 5.074 709 HD3 LYS 84 HD3 LYS 84 -15.331 -6.325 3.970 710 HE2 LYS 84 HE2 LYS 84 -15.924 -7.690 6.283 711 HE3 LYS 84 HE3 LYS 84 -17.136 -6.408 6.260 712 HZ1 LYS 84 HZ1 LYS 84 -16.762 -8.648 4.420 713 HZ2 LYS 84 HZ2 LYS 84 -18.191 -7.955 5.004 714 HZ3 LYS 84 HZ3 LYS 84 -17.326 -7.191 3.766 715 H ASP 85 H ASP 85 -11.166 -7.316 4.846 716 HA ASP 85 HA ASP 85 -11.249 -8.812 7.221 717 HB2 ASP 85 HB2 ASP 85 -10.900 -9.368 4.528 718 HB3 ASP 85 HB3 ASP 85 -9.364 -9.846 5.248 719 H VAL 86 H VAL 86 -8.810 -6.769 5.873 720 HA VAL 86 HA VAL 86 -6.852 -5.992 6.756 721 HB VAL 86 HB VAL 86 -7.252 -7.786 9.141 722 HG11 VAL 86 HG11 VAL 86 -5.867 -5.128 8.789 723 HG12 VAL 86 HG12 VAL 86 -5.997 -6.029 10.299 724 HG13 VAL 86 HG13 VAL 86 -5.080 -6.698 8.950 725 HG21 VAL 86 HG21 VAL 86 -8.555 -5.151 8.510 726 HG22 VAL 86 HG22 VAL 86 -9.316 -6.661 9.010 727 HG23 VAL 86 HG23 VAL 86 -8.356 -5.734 10.163 728 H LYS 87 H LYS 87 -6.988 -9.322 8.018 729 HA LYS 87 HA LYS 87 -4.347 -9.982 7.502 730 HB2 LYS 87 HB2 LYS 87 -6.838 -11.488 8.016 731 HB3 LYS 87 HB3 LYS 87 -5.550 -12.396 7.237 732 HG2 LYS 87 HG2 LYS 87 -5.149 -10.820 9.764 733 HG3 LYS 87 HG3 LYS 87 -5.618 -12.520 9.744 734 HD2 LYS 87 HD2 LYS 87 -3.583 -13.029 8.436 735 HD3 LYS 87 HD3 LYS 87 -3.107 -11.335 8.562 736 HE2 LYS 87 HE2 LYS 87 -3.266 -11.643 11.083 737 HE3 LYS 87 HE3 LYS 87 -3.355 -13.374 10.759 738 HZ1 LYS 87 HZ1 LYS 87 -1.201 -12.171 9.345 739 HZ2 LYS 87 HZ2 LYS 87 -1.075 -11.859 11.003 740 HZ3 LYS 87 HZ3 LYS 87 -1.174 -13.455 10.448 741 H GLY 88 H GLY 88 -7.119 -11.146 5.570 742 HA2 GLY 88 HA2 GLY 88 -6.327 -10.362 3.070 743 HA3 GLY 88 HA3 GLY 88 -5.413 -11.835 3.367 744 H SER 89 H SER 89 -7.435 -11.372 1.349 745 HA SER 89 HA SER 89 -9.075 -13.695 1.898 746 HB2 SER 89 HB2 SER 89 -10.316 -10.988 1.353 747 HB3 SER 89 HB3 SER 89 -11.193 -12.517 1.304 748 HG SER 89 HG SER 89 -10.554 -12.802 3.523 749 H GLY 90 H GLY 90 -10.581 -14.070 -0.099 750 HA2 GLY 90 HA2 GLY 90 -9.977 -12.994 -2.606 751 HA3 GLY 90 HA3 GLY 90 -8.902 -14.360 -2.350 752 H LEU 91 H LEU 91 -11.671 -13.522 -3.801 753 HA LEU 91 HA LEU 91 -12.905 -16.165 -3.386 754 HB2 LEU 91 HB2 LEU 91 -14.318 -13.765 -4.504 755 HB3 LEU 91 HB3 LEU 91 -15.019 -15.245 -3.854 756 HG LEU 91 HG LEU 91 -13.570 -13.187 -2.193 757 HD11 LEU 91 HD11 LEU 91 -16.537 -13.606 -2.258 758 HD12 LEU 91 HD12 LEU 91 -15.620 -12.260 -1.580 759 HD13 LEU 91 HD13 LEU 91 -15.745 -12.452 -3.330 760 HD21 LEU 91 HD21 LEU 91 -15.175 -15.647 -1.538 761 HD22 LEU 91 HD22 LEU 91 -13.499 -15.297 -1.118 762 HD23 LEU 91 HD23 LEU 91 -14.806 -14.393 -0.354 763 H GLU 92 H GLU 92 -13.739 -17.263 -5.218 764 HA GLU 92 HA GLU 92 -12.425 -16.477 -7.730 765 HB2 GLU 92 HB2 GLU 92 -13.347 -19.203 -6.800 766 HB3 GLU 92 HB3 GLU 92 -12.611 -18.864 -8.361 767 HG2 GLU 92 HG2 GLU 92 -10.811 -19.633 -7.183 768 HG3 GLU 92 HG3 GLU 92 -10.669 -17.896 -6.917 769 H HIS 93 H HIS 93 -13.746 -15.562 -9.147 770 HA HIS 93 HA HIS 93 -16.584 -15.776 -8.994 771 HB2 HIS 93 HB2 HIS 93 -14.650 -14.200 -10.442 772 HB3 HIS 93 HB3 HIS 93 -15.902 -14.781 -11.536 773 HD1 HIS 93 HD1 HIS 93 -18.412 -14.131 -10.846 774 HD2 HIS 93 HD2 HIS 93 -15.382 -12.092 -8.865 775 HE1 HIS 93 HE1 HIS 93 -19.516 -12.118 -9.819 776 H HIS 94 H HIS 94 -17.973 -16.514 -10.760 777 HA HIS 94 HA HIS 94 -17.196 -19.144 -11.629 778 HB2 HIS 94 HB2 HIS 94 -19.605 -17.929 -11.021 779 HB3 HIS 94 HB3 HIS 94 -19.673 -18.097 -12.773 780 HD1 HIS 94 HD1 HIS 94 -20.723 -20.211 -13.470 781 HD2 HIS 94 HD2 HIS 94 -18.733 -20.613 -9.845 782 HE1 HIS 94 HE1 HIS 94 -21.093 -22.595 -12.761 783 H HIS 95 H HIS 95 -16.107 -19.545 -13.428 784 HA HIS 95 HA HIS 95 -15.567 -17.602 -15.400 785 HB2 HIS 95 HB2 HIS 95 -15.291 -20.602 -15.662 786 HB3 HIS 95 HB3 HIS 95 -14.450 -19.380 -16.611 787 HD1 HIS 95 HD1 HIS 95 -13.148 -21.630 -14.723 788 HD2 HIS 95 HD2 HIS 95 -13.560 -17.582 -13.878 789 HE1 HIS 95 HE1 HIS 95 -11.383 -21.118 -13.006 790 H HIS 96 H HIS 96 -16.254 -17.449 -17.557 791 HA HIS 96 HA HIS 96 -18.807 -18.803 -18.138 792 HB2 HIS 96 HB2 HIS 96 -19.135 -16.411 -17.646 793 HB3 HIS 96 HB3 HIS 96 -17.996 -15.996 -18.925 794 HD1 HIS 96 HD1 HIS 96 -19.168 -15.249 -20.954 795 HD2 HIS 96 HD2 HIS 96 -21.328 -18.161 -18.925 796 HE1 HIS 96 HE1 HIS 96 -21.259 -15.601 -22.307 797 H HIS 97 H HIS 97 -17.870 -20.442 -19.354 798 HA HIS 97 HA HIS 97 -16.425 -19.607 -21.777 799 HB2 HIS 97 HB2 HIS 97 -16.121 -21.839 -19.936 800 HB3 HIS 97 HB3 HIS 97 -16.243 -22.378 -21.608 801 HD1 HIS 97 HD1 HIS 97 -14.547 -20.843 -23.262 802 HD2 HIS 97 HD2 HIS 97 -13.574 -21.297 -19.248 803 HE1 HIS 97 HE1 HIS 97 -12.089 -20.334 -23.104 804 H HIS 98 H HIS 98 -19.036 -21.691 -20.606 805 HA HIS 98 HA HIS 98 -20.054 -21.839 -23.368 806 HB2 HIS 98 HB2 HIS 98 -19.326 -23.991 -22.039 807 HB3 HIS 98 HB3 HIS 98 -20.896 -23.796 -21.264 808 HD1 HIS 98 HD1 HIS 98 -22.079 -25.760 -22.307 809 HD2 HIS 98 HD2 HIS 98 -20.322 -23.258 -25.121 810 HE1 HIS 98 HE1 HIS 98 -22.918 -26.562 -24.538 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -4.752 -6.781 13.026 2 HA2 GLY 1 HA2 GLY 1 -2.181 -7.743 11.998 3 HA3 GLY 1 HA3 GLY 1 -3.612 -8.013 11.014 4 H ARG 2 H ARG 2 -1.082 -6.283 10.808 5 HA ARG 2 HA ARG 2 -2.280 -3.634 10.549 6 HB2 ARG 2 HB2 ARG 2 0.434 -4.696 10.854 7 HB3 ARG 2 HB3 ARG 2 0.315 -3.401 9.671 8 HG2 ARG 2 HG2 ARG 2 -1.100 -2.849 12.166 9 HG3 ARG 2 HG3 ARG 2 0.641 -3.068 12.358 10 HD2 ARG 2 HD2 ARG 2 0.717 -0.881 11.827 11 HD3 ARG 2 HD3 ARG 2 0.587 -1.483 10.175 12 HE ARG 2 HE ARG 2 -1.536 -0.621 10.057 13 HH11 ARG 2 HH11 ARG 2 -0.475 -0.642 13.372 14 HH12 ARG 2 HH12 ARG 2 -1.818 0.292 13.944 15 HH21 ARG 2 HH21 ARG 2 -3.308 0.608 10.797 16 HH22 ARG 2 HH22 ARG 2 -3.429 1.002 12.479 17 H VAL 3 H VAL 3 -2.257 -2.452 8.602 18 HA VAL 3 HA VAL 3 -1.531 -3.814 6.140 19 HB VAL 3 HB VAL 3 -4.370 -2.890 6.602 20 HG11 VAL 3 HG11 VAL 3 -2.834 -3.700 4.203 21 HG12 VAL 3 HG12 VAL 3 -4.492 -4.286 4.334 22 HG13 VAL 3 HG13 VAL 3 -4.164 -2.553 4.366 23 HG21 VAL 3 HG21 VAL 3 -3.235 -5.670 6.325 24 HG22 VAL 3 HG22 VAL 3 -3.950 -4.967 7.775 25 HG23 VAL 3 HG23 VAL 3 -4.952 -5.274 6.357 26 H VAL 4 H VAL 4 -1.299 -2.427 4.367 27 HA VAL 4 HA VAL 4 -1.685 0.440 4.889 28 HB VAL 4 HB VAL 4 0.825 -0.807 3.760 29 HG11 VAL 4 HG11 VAL 4 0.813 1.119 2.561 30 HG12 VAL 4 HG12 VAL 4 -0.242 1.953 3.701 31 HG13 VAL 4 HG13 VAL 4 1.474 1.766 4.061 32 HG21 VAL 4 HG21 VAL 4 1.932 0.080 5.710 33 HG22 VAL 4 HG22 VAL 4 0.434 0.829 6.264 34 HG23 VAL 4 HG23 VAL 4 0.579 -0.929 6.223 35 H VAL 5 H VAL 5 -2.411 1.608 3.190 36 HA VAL 5 HA VAL 5 -2.846 0.150 0.672 37 HB VAL 5 HB VAL 5 -4.302 2.615 1.630 38 HG11 VAL 5 HG11 VAL 5 -5.078 2.684 -0.449 39 HG12 VAL 5 HG12 VAL 5 -4.221 1.200 -0.864 40 HG13 VAL 5 HG13 VAL 5 -5.842 1.119 -0.173 41 HG21 VAL 5 HG21 VAL 5 -6.193 0.861 1.911 42 HG22 VAL 5 HG22 VAL 5 -4.866 -0.296 2.022 43 HG23 VAL 5 HG23 VAL 5 -4.978 1.030 3.179 44 H VAL 6 H VAL 6 -1.967 0.860 -1.176 45 HA VAL 6 HA VAL 6 -0.751 3.543 -1.201 46 HB VAL 6 HB VAL 6 0.440 1.015 -2.347 47 HG11 VAL 6 HG11 VAL 6 2.378 2.548 -2.874 48 HG12 VAL 6 HG12 VAL 6 0.940 2.753 -3.874 49 HG13 VAL 6 HG13 VAL 6 1.280 3.895 -2.573 50 HG21 VAL 6 HG21 VAL 6 0.605 2.096 0.224 51 HG22 VAL 6 HG22 VAL 6 1.627 0.838 -0.473 52 HG23 VAL 6 HG23 VAL 6 2.123 2.528 -0.565 53 H VAL 7 H VAL 7 -0.866 4.684 -3.111 54 HA VAL 7 HA VAL 7 -2.314 3.415 -5.337 55 HB VAL 7 HB VAL 7 -3.543 5.526 -5.711 56 HG11 VAL 7 HG11 VAL 7 -4.909 5.333 -3.474 57 HG12 VAL 7 HG12 VAL 7 -4.902 4.017 -4.646 58 HG13 VAL 7 HG13 VAL 7 -3.873 3.930 -3.217 59 HG21 VAL 7 HG21 VAL 7 -2.024 6.341 -3.272 60 HG22 VAL 7 HG22 VAL 7 -2.329 7.241 -4.757 61 HG23 VAL 7 HG23 VAL 7 -3.621 7.025 -3.576 62 H THR 8 H THR 8 -2.170 4.773 -7.367 63 HA THR 8 HA THR 8 0.605 5.663 -7.673 64 HB THR 8 HB THR 8 -0.319 5.650 -10.206 65 HG1 THR 8 HG1 THR 8 -2.389 4.919 -9.680 66 HG21 THR 8 HG21 THR 8 1.071 3.881 -10.483 67 HG22 THR 8 HG22 THR 8 1.490 4.229 -8.806 68 HG23 THR 8 HG23 THR 8 0.328 2.955 -9.179 69 H SER 9 H SER 9 -2.619 6.848 -7.622 70 HA SER 9 HA SER 9 -1.673 9.467 -8.588 71 HB2 SER 9 HB2 SER 9 -4.271 8.036 -9.033 72 HB3 SER 9 HB3 SER 9 -4.232 9.799 -9.046 73 HG SER 9 HG SER 9 -3.866 9.162 -11.122 74 H GLU 10 H GLU 10 -2.296 11.298 -7.454 75 HA GLU 10 HA GLU 10 -2.620 11.017 -4.675 76 HB2 GLU 10 HB2 GLU 10 -2.917 13.460 -4.654 77 HB3 GLU 10 HB3 GLU 10 -1.552 12.975 -5.649 78 HG2 GLU 10 HG2 GLU 10 -3.441 13.050 -7.533 79 HG3 GLU 10 HG3 GLU 10 -4.108 14.238 -6.415 80 H GLN 11 H GLN 11 -4.914 11.479 -7.276 81 HA GLN 11 HA GLN 11 -7.148 12.307 -5.841 82 HB2 GLN 11 HB2 GLN 11 -6.644 11.696 -8.454 83 HB3 GLN 11 HB3 GLN 11 -7.694 10.365 -7.984 84 HG2 GLN 11 HG2 GLN 11 -9.292 12.108 -7.100 85 HG3 GLN 11 HG3 GLN 11 -8.290 13.306 -7.918 86 HE21 GLN 11 HE21 GLN 11 -9.681 13.958 -9.462 87 HE22 GLN 11 HE22 GLN 11 -10.316 12.932 -10.698 88 H VAL 12 H VAL 12 -6.142 8.989 -6.655 89 HA VAL 12 HA VAL 12 -8.225 7.670 -5.326 90 HB VAL 12 HB VAL 12 -5.428 6.588 -5.639 91 HG11 VAL 12 HG11 VAL 12 -6.584 4.432 -5.810 92 HG12 VAL 12 HG12 VAL 12 -6.918 5.232 -4.274 93 HG13 VAL 12 HG13 VAL 12 -8.128 5.245 -5.557 94 HG21 VAL 12 HG21 VAL 12 -5.744 7.110 -7.821 95 HG22 VAL 12 HG22 VAL 12 -6.693 5.624 -7.796 96 HG23 VAL 12 HG23 VAL 12 -7.498 7.188 -7.663 97 H LYS 13 H LYS 13 -5.079 8.788 -4.193 98 HA LYS 13 HA LYS 13 -5.026 7.537 -1.701 99 HB2 LYS 13 HB2 LYS 13 -3.126 8.770 -2.732 100 HB3 LYS 13 HB3 LYS 13 -3.952 10.282 -2.376 101 HG2 LYS 13 HG2 LYS 13 -3.823 8.784 0.025 102 HG3 LYS 13 HG3 LYS 13 -2.221 8.769 -0.717 103 HD2 LYS 13 HD2 LYS 13 -2.066 11.109 -0.692 104 HD3 LYS 13 HD3 LYS 13 -3.801 11.308 -0.435 105 HE2 LYS 13 HE2 LYS 13 -3.659 10.689 1.810 106 HE3 LYS 13 HE3 LYS 13 -2.088 9.917 1.594 107 HZ1 LYS 13 HZ1 LYS 13 -0.999 11.920 1.625 108 HZ2 LYS 13 HZ2 LYS 13 -2.352 12.808 1.135 109 HZ3 LYS 13 HZ3 LYS 13 -2.250 12.229 2.721 110 H GLU 14 H GLU 14 -6.301 10.742 -2.581 111 HA GLU 14 HA GLU 14 -7.153 11.519 -0.044 112 HB2 GLU 14 HB2 GLU 14 -8.318 12.197 -2.749 113 HB3 GLU 14 HB3 GLU 14 -8.732 13.023 -1.253 114 HG2 GLU 14 HG2 GLU 14 -6.861 14.243 -1.260 115 HG3 GLU 14 HG3 GLU 14 -5.862 12.891 -1.790 116 H GLU 15 H GLU 15 -8.812 9.635 -2.535 117 HA GLU 15 HA GLU 15 -11.297 9.473 -1.181 118 HB2 GLU 15 HB2 GLU 15 -10.157 7.550 -3.216 119 HB3 GLU 15 HB3 GLU 15 -11.851 7.727 -2.778 120 HG2 GLU 15 HG2 GLU 15 -10.273 10.003 -3.920 121 HG3 GLU 15 HG3 GLU 15 -11.061 8.806 -4.946 122 H VAL 16 H VAL 16 -8.422 7.428 -1.228 123 HA VAL 16 HA VAL 16 -9.526 5.295 0.279 124 HB VAL 16 HB VAL 16 -6.634 6.109 -0.044 125 HG11 VAL 16 HG11 VAL 16 -7.851 4.142 1.627 126 HG12 VAL 16 HG12 VAL 16 -6.919 3.332 0.368 127 HG13 VAL 16 HG13 VAL 16 -6.140 4.515 1.420 128 HG21 VAL 16 HG21 VAL 16 -7.626 3.750 -1.461 129 HG22 VAL 16 HG22 VAL 16 -8.352 5.266 -1.994 130 HG23 VAL 16 HG23 VAL 16 -6.600 5.068 -2.028 131 H ARG 17 H ARG 17 -7.388 7.994 1.196 132 HA ARG 17 HA ARG 17 -7.241 7.395 3.927 133 HB2 ARG 17 HB2 ARG 17 -6.443 9.656 4.229 134 HB3 ARG 17 HB3 ARG 17 -5.761 8.998 2.749 135 HG2 ARG 17 HG2 ARG 17 -7.415 10.224 1.436 136 HG3 ARG 17 HG3 ARG 17 -8.103 10.882 2.921 137 HD2 ARG 17 HD2 ARG 17 -5.412 11.460 3.140 138 HD3 ARG 17 HD3 ARG 17 -5.750 11.709 1.428 139 HE ARG 17 HE ARG 17 -7.729 12.954 3.026 140 HH11 ARG 17 HH11 ARG 17 -4.424 13.294 1.982 141 HH12 ARG 17 HH12 ARG 17 -4.420 15.020 2.128 142 HH21 ARG 17 HH21 ARG 17 -7.734 15.226 3.221 143 HH22 ARG 17 HH22 ARG 17 -6.302 16.119 2.833 144 H LYS 18 H LYS 18 -9.686 9.024 2.049 145 HA LYS 18 HA LYS 18 -11.058 10.203 4.255 146 HB2 LYS 18 HB2 LYS 18 -11.299 11.072 1.977 147 HB3 LYS 18 HB3 LYS 18 -12.029 9.557 1.465 148 HG2 LYS 18 HG2 LYS 18 -13.968 9.947 2.771 149 HG3 LYS 18 HG3 LYS 18 -13.210 11.306 3.604 150 HD2 LYS 18 HD2 LYS 18 -12.996 12.276 1.179 151 HD3 LYS 18 HD3 LYS 18 -14.307 11.145 0.832 152 HE2 LYS 18 HE2 LYS 18 -15.223 12.292 3.102 153 HE3 LYS 18 HE3 LYS 18 -14.311 13.632 2.411 154 HZ1 LYS 18 HZ1 LYS 18 -16.765 12.394 1.489 155 HZ2 LYS 18 HZ2 LYS 18 -16.218 13.986 1.308 156 HZ3 LYS 18 HZ3 LYS 18 -15.650 12.773 0.274 157 H LYS 19 H LYS 19 -11.367 7.179 2.468 158 HA LYS 19 HA LYS 19 -13.774 6.331 3.714 159 HB2 LYS 19 HB2 LYS 19 -11.859 5.267 1.812 160 HB3 LYS 19 HB3 LYS 19 -12.383 4.031 2.949 161 HG2 LYS 19 HG2 LYS 19 -14.017 3.764 1.420 162 HG3 LYS 19 HG3 LYS 19 -14.763 5.073 2.338 163 HD2 LYS 19 HD2 LYS 19 -13.584 6.652 0.715 164 HD3 LYS 19 HD3 LYS 19 -13.289 5.222 -0.278 165 HE2 LYS 19 HE2 LYS 19 -15.271 5.789 -1.195 166 HE3 LYS 19 HE3 LYS 19 -15.921 4.927 0.199 167 HZ1 LYS 19 HZ1 LYS 19 -16.568 6.841 1.199 168 HZ2 LYS 19 HZ2 LYS 19 -15.325 7.769 0.524 169 HZ3 LYS 19 HZ3 LYS 19 -16.678 7.361 -0.408 170 H PHE 20 H PHE 20 -10.350 5.782 4.400 171 HA PHE 20 HA PHE 20 -11.085 4.947 7.104 172 HB2 PHE 20 HB2 PHE 20 -9.027 3.421 5.508 173 HB3 PHE 20 HB3 PHE 20 -9.697 3.006 7.083 174 HD1 PHE 20 HD1 PHE 20 -9.849 2.360 3.647 175 HD2 PHE 20 HD2 PHE 20 -12.310 2.668 7.107 176 HE1 PHE 20 HE1 PHE 20 -11.564 0.982 2.546 177 HE2 PHE 20 HE2 PHE 20 -14.028 1.290 6.011 178 HZ PHE 20 HZ PHE 20 -13.657 0.445 3.728 179 HA PRO 21 HA PRO 21 -7.675 8.065 7.050 180 HB2 PRO 21 HB2 PRO 21 -8.671 9.512 9.120 181 HB3 PRO 21 HB3 PRO 21 -9.172 9.763 7.443 182 HG2 PRO 21 HG2 PRO 21 -10.540 8.229 9.620 183 HG3 PRO 21 HG3 PRO 21 -11.236 9.338 8.424 184 HD2 PRO 21 HD2 PRO 21 -11.357 6.647 8.158 185 HD3 PRO 21 HD3 PRO 21 -11.250 7.740 6.763 186 H GLN 22 H GLN 22 -9.154 6.119 9.554 187 HA GLN 22 HA GLN 22 -7.168 6.535 11.542 188 HB2 GLN 22 HB2 GLN 22 -9.468 4.721 11.146 189 HB3 GLN 22 HB3 GLN 22 -8.192 4.116 12.195 190 HG2 GLN 22 HG2 GLN 22 -8.407 6.002 13.652 191 HG3 GLN 22 HG3 GLN 22 -9.542 6.780 12.549 192 HE21 GLN 22 HE21 GLN 22 -9.794 5.945 15.376 193 HE22 GLN 22 HE22 GLN 22 -11.195 4.935 15.430 194 H VAL 23 H VAL 23 -7.405 4.471 8.767 195 HA VAL 23 HA VAL 23 -5.279 2.702 9.613 196 HB VAL 23 HB VAL 23 -7.299 2.222 7.982 197 HG11 VAL 23 HG11 VAL 23 -6.167 4.066 6.443 198 HG12 VAL 23 HG12 VAL 23 -5.269 2.663 5.865 199 HG13 VAL 23 HG13 VAL 23 -7.029 2.683 5.769 200 HG21 VAL 23 HG21 VAL 23 -6.236 0.260 7.367 201 HG22 VAL 23 HG22 VAL 23 -4.673 1.050 7.160 202 HG23 VAL 23 HG23 VAL 23 -5.306 0.759 8.780 203 H GLU 24 H GLU 24 -3.435 2.334 8.005 204 HA GLU 24 HA GLU 24 -2.074 4.864 7.665 205 HB2 GLU 24 HB2 GLU 24 -0.975 2.797 8.591 206 HB3 GLU 24 HB3 GLU 24 -1.066 2.101 6.979 207 HG2 GLU 24 HG2 GLU 24 0.776 3.149 6.354 208 HG3 GLU 24 HG3 GLU 24 0.127 4.707 6.863 209 H VAL 25 H VAL 25 -1.804 5.943 5.817 210 HA VAL 25 HA VAL 25 -2.339 4.557 3.278 211 HB VAL 25 HB VAL 25 -4.344 5.819 3.797 212 HG11 VAL 25 HG11 VAL 25 -3.107 7.462 5.289 213 HG12 VAL 25 HG12 VAL 25 -2.705 8.339 3.812 214 HG13 VAL 25 HG13 VAL 25 -4.393 8.123 4.279 215 HG21 VAL 25 HG21 VAL 25 -2.756 6.155 1.481 216 HG22 VAL 25 HG22 VAL 25 -4.511 6.251 1.625 217 HG23 VAL 25 HG23 VAL 25 -3.530 7.704 1.820 218 H ARG 26 H ARG 26 -0.737 4.792 1.869 219 HA ARG 26 HA ARG 26 0.847 7.253 1.876 220 HB2 ARG 26 HB2 ARG 26 2.033 4.473 1.976 221 HB3 ARG 26 HB3 ARG 26 2.945 5.954 1.715 222 HG2 ARG 26 HG2 ARG 26 1.303 5.436 4.179 223 HG3 ARG 26 HG3 ARG 26 3.017 5.044 4.043 224 HD2 ARG 26 HD2 ARG 26 3.029 7.611 3.202 225 HD3 ARG 26 HD3 ARG 26 1.682 7.653 4.339 226 HE ARG 26 HE ARG 26 4.465 7.401 4.968 227 HH11 ARG 26 HH11 ARG 26 1.236 6.657 6.036 228 HH12 ARG 26 HH12 ARG 26 1.671 6.562 7.710 229 HH21 ARG 26 HH21 ARG 26 5.050 7.278 7.169 230 HH22 ARG 26 HH22 ARG 26 3.841 6.916 8.354 231 H VAL 27 H VAL 27 0.771 8.041 -0.113 232 HA VAL 27 HA VAL 27 0.269 6.263 -2.368 233 HB VAL 27 HB VAL 27 -1.108 8.233 -2.290 234 HG11 VAL 27 HG11 VAL 27 0.673 10.351 -2.823 235 HG12 VAL 27 HG12 VAL 27 -0.342 10.118 -1.400 236 HG13 VAL 27 HG13 VAL 27 1.307 9.492 -1.420 237 HG21 VAL 27 HG21 VAL 27 0.981 8.577 -4.439 238 HG22 VAL 27 HG22 VAL 27 -0.357 7.429 -4.499 239 HG23 VAL 27 HG23 VAL 27 -0.682 9.163 -4.484 240 H VAL 28 H VAL 28 1.759 5.689 -3.821 241 HA VAL 28 HA VAL 28 4.337 7.119 -3.811 242 HB VAL 28 HB VAL 28 4.036 4.178 -4.399 243 HG11 VAL 28 HG11 VAL 28 6.022 5.483 -5.259 244 HG12 VAL 28 HG12 VAL 28 6.487 5.714 -3.574 245 HG13 VAL 28 HG13 VAL 28 6.395 4.087 -4.247 246 HG21 VAL 28 HG21 VAL 28 3.381 4.298 -2.153 247 HG22 VAL 28 HG22 VAL 28 5.104 3.929 -2.087 248 HG23 VAL 28 HG23 VAL 28 4.544 5.574 -1.791 249 H THR 29 H THR 29 5.318 7.498 -5.770 250 HA THR 29 HA THR 29 3.787 6.729 -8.170 251 HB THR 29 HB THR 29 4.593 8.907 -9.177 252 HG1 THR 29 HG1 THR 29 5.031 9.621 -6.454 253 HG21 THR 29 HG21 THR 29 2.438 9.347 -8.777 254 HG22 THR 29 HG22 THR 29 2.466 8.453 -7.257 255 HG23 THR 29 HG23 THR 29 2.965 10.143 -7.295 256 H THR 30 H THR 30 6.896 7.238 -6.680 257 HA THR 30 HA THR 30 8.183 6.059 -9.056 258 HB THR 30 HB THR 30 10.072 7.462 -7.392 259 HG1 THR 30 HG1 THR 30 9.263 9.553 -7.666 260 HG21 THR 30 HG21 THR 30 9.146 7.816 -10.244 261 HG22 THR 30 HG22 THR 30 10.550 8.617 -9.539 262 HG23 THR 30 HG23 THR 30 10.520 6.859 -9.687 263 H GLU 31 H GLU 31 10.355 5.031 -8.458 264 HA GLU 31 HA GLU 31 9.864 2.981 -6.559 265 HB2 GLU 31 HB2 GLU 31 12.327 2.431 -7.025 266 HB3 GLU 31 HB3 GLU 31 11.201 2.342 -8.373 267 HG2 GLU 31 HG2 GLU 31 11.964 4.409 -9.257 268 HG3 GLU 31 HG3 GLU 31 12.902 4.754 -7.805 269 H GLU 32 H GLU 32 11.929 5.853 -6.555 270 HA GLU 32 HA GLU 32 13.273 5.376 -4.149 271 HB2 GLU 32 HB2 GLU 32 12.753 7.712 -5.874 272 HB3 GLU 32 HB3 GLU 32 13.103 8.090 -4.192 273 HG2 GLU 32 HG2 GLU 32 15.234 7.159 -4.298 274 HG3 GLU 32 HG3 GLU 32 14.866 6.250 -5.762 275 H ASP 33 H ASP 33 10.196 7.001 -4.791 276 HA ASP 33 HA ASP 33 9.679 7.929 -2.205 277 HB2 ASP 33 HB2 ASP 33 7.870 7.147 -4.483 278 HB3 ASP 33 HB3 ASP 33 7.228 7.738 -2.954 279 H ALA 34 H ALA 34 8.689 4.883 -3.757 280 HA ALA 34 HA ALA 34 7.252 3.775 -1.669 281 HB1 ALA 34 HB1 ALA 34 8.689 1.670 -2.889 282 HB2 ALA 34 HB2 ALA 34 7.031 2.185 -3.198 283 HB3 ALA 34 HB3 ALA 34 8.357 2.874 -4.134 284 H LYS 35 H LYS 35 10.742 3.640 -2.277 285 HA LYS 35 HA LYS 35 11.507 1.890 -0.278 286 HB2 LYS 35 HB2 LYS 35 12.802 3.569 -2.077 287 HB3 LYS 35 HB3 LYS 35 13.339 4.142 -0.504 288 HG2 LYS 35 HG2 LYS 35 14.925 2.553 -1.081 289 HG3 LYS 35 HG3 LYS 35 13.839 1.676 -0.000 290 HD2 LYS 35 HD2 LYS 35 12.654 0.790 -1.993 291 HD3 LYS 35 HD3 LYS 35 13.854 1.583 -3.017 292 HE2 LYS 35 HE2 LYS 35 15.602 0.217 -2.165 293 HE3 LYS 35 HE3 LYS 35 14.577 -0.404 -0.872 294 HZ1 LYS 35 HZ1 LYS 35 14.992 -1.830 -2.971 295 HZ2 LYS 35 HZ2 LYS 35 13.436 -1.765 -2.310 296 HZ3 LYS 35 HZ3 LYS 35 13.813 -0.845 -3.679 297 H GLN 36 H GLN 36 11.275 5.441 -0.050 298 HA GLN 36 HA GLN 36 11.861 5.562 2.710 299 HB2 GLN 36 HB2 GLN 36 10.349 7.525 0.979 300 HB3 GLN 36 HB3 GLN 36 10.981 7.864 2.584 301 HG2 GLN 36 HG2 GLN 36 13.263 7.263 1.638 302 HG3 GLN 36 HG3 GLN 36 12.502 7.359 0.052 303 HE21 GLN 36 HE21 GLN 36 12.509 9.259 3.055 304 HE22 GLN 36 HE22 GLN 36 12.763 10.785 2.288 305 H VAL 37 H VAL 37 8.914 5.035 0.924 306 HA VAL 37 HA VAL 37 7.099 5.576 3.039 307 HB VAL 37 HB VAL 37 6.760 3.853 0.582 308 HG11 VAL 37 HG11 VAL 37 5.100 3.110 2.057 309 HG12 VAL 37 HG12 VAL 37 4.816 4.730 2.694 310 HG13 VAL 37 HG13 VAL 37 4.290 4.320 1.061 311 HG21 VAL 37 HG21 VAL 37 5.318 6.381 0.736 312 HG22 VAL 37 HG22 VAL 37 7.071 6.579 0.755 313 HG23 VAL 37 HG23 VAL 37 6.296 5.712 -0.570 314 H VAL 38 H VAL 38 8.251 2.488 1.673 315 HA VAL 38 HA VAL 38 7.033 0.802 3.527 316 HB VAL 38 HB VAL 38 8.721 -0.879 2.897 317 HG11 VAL 38 HG11 VAL 38 6.740 0.058 1.382 318 HG12 VAL 38 HG12 VAL 38 8.093 0.436 0.316 319 HG13 VAL 38 HG13 VAL 38 7.820 -1.226 0.840 320 HG21 VAL 38 HG21 VAL 38 10.661 0.623 2.793 321 HG22 VAL 38 HG22 VAL 38 10.489 -0.328 1.317 322 HG23 VAL 38 HG23 VAL 38 9.999 1.366 1.336 323 H LYS 39 H LYS 39 10.024 2.614 3.713 324 HA LYS 39 HA LYS 39 11.080 1.304 5.999 325 HB2 LYS 39 HB2 LYS 39 12.214 2.911 4.265 326 HB3 LYS 39 HB3 LYS 39 11.685 4.170 5.373 327 HG2 LYS 39 HG2 LYS 39 12.898 3.005 7.195 328 HG3 LYS 39 HG3 LYS 39 13.514 1.862 5.999 329 HD2 LYS 39 HD2 LYS 39 13.898 4.675 5.278 330 HD3 LYS 39 HD3 LYS 39 14.748 4.185 6.745 331 HE2 LYS 39 HE2 LYS 39 15.932 2.486 5.601 332 HE3 LYS 39 HE3 LYS 39 14.889 2.612 4.186 333 HZ1 LYS 39 HZ1 LYS 39 16.903 3.697 3.661 334 HZ2 LYS 39 HZ2 LYS 39 15.769 4.925 3.926 335 HZ3 LYS 39 HZ3 LYS 39 16.918 4.563 5.115 336 H GLU 40 H GLU 40 9.110 4.213 5.554 337 HA GLU 40 HA GLU 40 9.092 5.051 8.235 338 HB2 GLU 40 HB2 GLU 40 7.991 5.945 5.838 339 HB3 GLU 40 HB3 GLU 40 6.595 5.600 6.850 340 HG2 GLU 40 HG2 GLU 40 7.228 7.160 8.464 341 HG3 GLU 40 HG3 GLU 40 8.884 7.239 7.867 342 H VAL 41 H VAL 41 6.797 3.024 6.427 343 HA VAL 41 HA VAL 41 5.080 2.555 8.641 344 HB VAL 41 HB VAL 41 4.104 0.759 7.270 345 HG11 VAL 41 HG11 VAL 41 2.936 2.345 6.246 346 HG12 VAL 41 HG12 VAL 41 4.191 3.506 6.682 347 HG13 VAL 41 HG13 VAL 41 4.269 2.662 5.135 348 HG21 VAL 41 HG21 VAL 41 6.419 1.356 5.435 349 HG22 VAL 41 HG22 VAL 41 6.046 -0.173 6.233 350 HG23 VAL 41 HG23 VAL 41 4.993 0.435 4.956 351 H GLN 42 H GLN 42 7.879 0.884 7.326 352 HA GLN 42 HA GLN 42 7.661 -1.536 8.695 353 HB2 GLN 42 HB2 GLN 42 9.862 -0.007 7.432 354 HB3 GLN 42 HB3 GLN 42 10.335 -1.244 8.588 355 HG2 GLN 42 HG2 GLN 42 8.360 -1.974 6.499 356 HG3 GLN 42 HG3 GLN 42 10.044 -1.763 6.019 357 HE21 GLN 42 HE21 GLN 42 7.783 -3.889 7.237 358 HE22 GLN 42 HE22 GLN 42 8.854 -5.121 7.802 359 H LYS 43 H LYS 43 9.092 1.538 9.694 360 HA LYS 43 HA LYS 43 10.074 0.559 12.187 361 HB2 LYS 43 HB2 LYS 43 9.943 3.131 10.783 362 HB3 LYS 43 HB3 LYS 43 9.798 3.274 12.530 363 HG2 LYS 43 HG2 LYS 43 11.902 2.255 12.884 364 HG3 LYS 43 HG3 LYS 43 12.009 1.733 11.200 365 HD2 LYS 43 HD2 LYS 43 11.953 4.203 10.593 366 HD3 LYS 43 HD3 LYS 43 12.224 4.524 12.308 367 HE2 LYS 43 HE2 LYS 43 14.025 2.586 10.960 368 HE3 LYS 43 HE3 LYS 43 14.222 4.293 10.568 369 HZ1 LYS 43 HZ1 LYS 43 14.459 4.755 12.941 370 HZ2 LYS 43 HZ2 LYS 43 14.327 3.104 13.287 371 HZ3 LYS 43 HZ3 LYS 43 15.646 3.678 12.398 372 H LYS 44 H LYS 44 7.106 2.124 11.133 373 HA LYS 44 HA LYS 44 6.052 2.609 13.721 374 HB2 LYS 44 HB2 LYS 44 5.333 3.315 11.178 375 HB3 LYS 44 HB3 LYS 44 4.103 2.122 11.574 376 HG2 LYS 44 HG2 LYS 44 3.908 3.517 13.785 377 HG3 LYS 44 HG3 LYS 44 4.625 4.786 12.790 378 HD2 LYS 44 HD2 LYS 44 2.558 5.220 12.073 379 HD3 LYS 44 HD3 LYS 44 2.654 3.703 11.174 380 HE2 LYS 44 HE2 LYS 44 0.677 3.505 12.395 381 HE3 LYS 44 HE3 LYS 44 1.853 2.597 13.345 382 HZ1 LYS 44 HZ1 LYS 44 1.469 5.434 13.962 383 HZ2 LYS 44 HZ2 LYS 44 0.269 4.347 14.453 384 HZ3 LYS 44 HZ3 LYS 44 1.861 4.150 14.992 385 H GLY 45 H GLY 45 5.929 -0.127 11.521 386 HA2 GLY 45 HA2 GLY 45 5.765 -2.330 12.613 387 HA3 GLY 45 HA3 GLY 45 4.502 -1.638 13.621 388 H VAL 46 H VAL 46 5.265 -2.136 10.176 389 HA VAL 46 HA VAL 46 2.417 -2.370 9.587 390 HB VAL 46 HB VAL 46 3.924 -1.025 8.110 391 HG11 VAL 46 HG11 VAL 46 4.986 -3.718 7.263 392 HG12 VAL 46 HG12 VAL 46 5.416 -2.151 6.579 393 HG13 VAL 46 HG13 VAL 46 5.869 -2.543 8.238 394 HG21 VAL 46 HG21 VAL 46 1.733 -2.094 7.408 395 HG22 VAL 46 HG22 VAL 46 2.842 -1.655 6.109 396 HG23 VAL 46 HG23 VAL 46 2.707 -3.337 6.621 397 H GLN 47 H GLN 47 1.563 -4.173 8.408 398 HA GLN 47 HA GLN 47 3.112 -6.656 8.732 399 HB2 GLN 47 HB2 GLN 47 1.476 -6.711 10.459 400 HB3 GLN 47 HB3 GLN 47 0.213 -6.141 9.376 401 HG2 GLN 47 HG2 GLN 47 0.173 -8.591 10.000 402 HG3 GLN 47 HG3 GLN 47 0.059 -8.202 8.284 403 HE21 GLN 47 HE21 GLN 47 2.791 -8.445 10.533 404 HE22 GLN 47 HE22 GLN 47 3.676 -9.601 9.603 405 H LYS 48 H LYS 48 0.663 -4.897 6.929 406 HA LYS 48 HA LYS 48 1.077 -6.759 4.681 407 HB2 LYS 48 HB2 LYS 48 -1.287 -6.454 5.979 408 HB3 LYS 48 HB3 LYS 48 -1.444 -5.222 4.735 409 HG2 LYS 48 HG2 LYS 48 -1.550 -6.739 3.048 410 HG3 LYS 48 HG3 LYS 48 -0.531 -7.910 3.888 411 HD2 LYS 48 HD2 LYS 48 -2.727 -7.809 5.508 412 HD3 LYS 48 HD3 LYS 48 -3.444 -7.583 3.910 413 HE2 LYS 48 HE2 LYS 48 -1.663 -9.615 3.471 414 HE3 LYS 48 HE3 LYS 48 -2.219 -9.954 5.110 415 HZ1 LYS 48 HZ1 LYS 48 -3.604 -10.250 2.624 416 HZ2 LYS 48 HZ2 LYS 48 -3.962 -10.907 4.142 417 HZ3 LYS 48 HZ3 LYS 48 -4.500 -9.352 3.745 418 H VAL 49 H VAL 49 0.694 -5.774 2.535 419 HA VAL 49 HA VAL 49 0.988 -2.876 2.414 420 HB VAL 49 HB VAL 49 3.000 -4.741 1.147 421 HG11 VAL 49 HG11 VAL 49 3.085 -3.085 -0.376 422 HG12 VAL 49 HG12 VAL 49 2.296 -1.922 0.689 423 HG13 VAL 49 HG13 VAL 49 4.019 -2.251 0.866 424 HG21 VAL 49 HG21 VAL 49 4.595 -3.428 2.616 425 HG22 VAL 49 HG22 VAL 49 3.171 -2.847 3.478 426 HG23 VAL 49 HG23 VAL 49 3.537 -4.572 3.441 427 H VAL 50 H VAL 50 -0.566 -2.280 1.061 428 HA VAL 50 HA VAL 50 -1.053 -3.926 -1.336 429 HB VAL 50 HB VAL 50 -3.049 -2.071 -0.042 430 HG11 VAL 50 HG11 VAL 50 -4.228 -4.175 -1.528 431 HG12 VAL 50 HG12 VAL 50 -4.256 -2.444 -1.866 432 HG13 VAL 50 HG13 VAL 50 -2.967 -3.452 -2.526 433 HG21 VAL 50 HG21 VAL 50 -4.108 -4.032 0.921 434 HG22 VAL 50 HG22 VAL 50 -2.852 -5.068 0.243 435 HG23 VAL 50 HG23 VAL 50 -2.446 -3.895 1.497 436 H VAL 51 H VAL 51 -1.231 -2.928 -3.315 437 HA VAL 51 HA VAL 51 -0.834 -0.019 -3.410 438 HB VAL 51 HB VAL 51 0.778 -0.271 -5.250 439 HG11 VAL 51 HG11 VAL 51 2.588 -1.483 -3.745 440 HG12 VAL 51 HG12 VAL 51 1.952 0.110 -3.332 441 HG13 VAL 51 HG13 VAL 51 1.320 -1.327 -2.528 442 HG21 VAL 51 HG21 VAL 51 1.631 -2.327 -5.968 443 HG22 VAL 51 HG22 VAL 51 0.985 -3.187 -4.570 444 HG23 VAL 51 HG23 VAL 51 -0.105 -2.609 -5.830 445 H VAL 52 H VAL 52 -1.657 1.018 -5.244 446 HA VAL 52 HA VAL 52 -3.393 -0.650 -6.949 447 HB VAL 52 HB VAL 52 -3.995 2.198 -6.161 448 HG11 VAL 52 HG11 VAL 52 -5.166 1.711 -8.115 449 HG12 VAL 52 HG12 VAL 52 -5.468 0.042 -7.631 450 HG13 VAL 52 HG13 VAL 52 -6.334 1.359 -6.840 451 HG21 VAL 52 HG21 VAL 52 -4.257 -0.201 -4.594 452 HG22 VAL 52 HG22 VAL 52 -4.600 1.471 -4.149 453 HG23 VAL 52 HG23 VAL 52 -5.842 0.494 -4.932 454 H GLY 53 H GLY 53 -3.222 -0.388 -9.101 455 HA2 GLY 53 HA2 GLY 53 -2.563 0.457 -11.137 456 HA3 GLY 53 HA3 GLY 53 -2.359 2.016 -10.351 457 H VAL 54 H VAL 54 -0.615 -0.388 -8.772 458 HA VAL 54 HA VAL 54 1.873 0.636 -9.918 459 HB VAL 54 HB VAL 54 1.389 -1.032 -7.446 460 HG11 VAL 54 HG11 VAL 54 3.540 -1.616 -8.238 461 HG12 VAL 54 HG12 VAL 54 3.923 0.055 -8.650 462 HG13 VAL 54 HG13 VAL 54 3.795 -0.430 -6.959 463 HG21 VAL 54 HG21 VAL 54 0.596 1.164 -7.057 464 HG22 VAL 54 HG22 VAL 54 2.196 1.085 -6.319 465 HG23 VAL 54 HG23 VAL 54 1.981 1.887 -7.875 466 H SER 55 H SER 55 3.438 -0.656 -10.833 467 HA SER 55 HA SER 55 2.551 -2.990 -12.174 468 HB2 SER 55 HB2 SER 55 5.418 -2.854 -12.119 469 HB3 SER 55 HB3 SER 55 4.323 -2.519 -13.460 470 HG SER 55 HG SER 55 4.243 -0.401 -12.869 471 H GLU 56 H GLU 56 3.083 -5.143 -11.879 472 HA GLU 56 HA GLU 56 3.417 -5.991 -9.188 473 HB2 GLU 56 HB2 GLU 56 3.431 -8.271 -10.138 474 HB3 GLU 56 HB3 GLU 56 2.094 -7.303 -10.742 475 HG2 GLU 56 HG2 GLU 56 3.833 -6.799 -12.678 476 HG3 GLU 56 HG3 GLU 56 4.468 -8.359 -12.159 477 H LYS 57 H LYS 57 5.552 -5.829 -11.985 478 HA LYS 57 HA LYS 57 7.710 -7.286 -10.967 479 HB2 LYS 57 HB2 LYS 57 9.045 -6.234 -12.661 480 HB3 LYS 57 HB3 LYS 57 7.445 -6.519 -13.332 481 HG2 LYS 57 HG2 LYS 57 6.911 -4.121 -12.736 482 HG3 LYS 57 HG3 LYS 57 8.634 -3.918 -12.417 483 HD2 LYS 57 HD2 LYS 57 9.099 -4.695 -14.731 484 HD3 LYS 57 HD3 LYS 57 7.359 -4.736 -15.027 485 HE2 LYS 57 HE2 LYS 57 7.233 -2.336 -14.528 486 HE3 LYS 57 HE3 LYS 57 8.975 -2.305 -14.260 487 HZ1 LYS 57 HZ1 LYS 57 9.400 -2.691 -16.504 488 HZ2 LYS 57 HZ2 LYS 57 7.826 -3.226 -16.823 489 HZ3 LYS 57 HZ3 LYS 57 8.119 -1.586 -16.527 490 H VAL 58 H VAL 58 6.711 -3.971 -10.441 491 HA VAL 58 HA VAL 58 9.126 -3.127 -9.172 492 HB VAL 58 HB VAL 58 6.359 -1.931 -8.962 493 HG11 VAL 58 HG11 VAL 58 7.631 -1.043 -7.197 494 HG12 VAL 58 HG12 VAL 58 9.087 -0.936 -8.187 495 HG13 VAL 58 HG13 VAL 58 7.736 0.160 -8.482 496 HG21 VAL 58 HG21 VAL 58 7.249 -2.122 -11.284 497 HG22 VAL 58 HG22 VAL 58 6.986 -0.463 -10.749 498 HG23 VAL 58 HG23 VAL 58 8.618 -1.128 -10.790 499 H VAL 59 H VAL 59 5.874 -3.828 -7.876 500 HA VAL 59 HA VAL 59 6.604 -3.683 -5.168 501 HB VAL 59 HB VAL 59 4.520 -4.960 -4.726 502 HG11 VAL 59 HG11 VAL 59 3.507 -3.092 -6.705 503 HG12 VAL 59 HG12 VAL 59 3.374 -3.059 -4.946 504 HG13 VAL 59 HG13 VAL 59 4.811 -2.407 -5.736 505 HG21 VAL 59 HG21 VAL 59 3.064 -5.378 -6.775 506 HG22 VAL 59 HG22 VAL 59 4.548 -5.238 -7.718 507 HG23 VAL 59 HG23 VAL 59 4.395 -6.502 -6.498 508 H GLN 60 H GLN 60 6.585 -6.364 -7.455 509 HA GLN 60 HA GLN 60 6.967 -8.483 -5.693 510 HB2 GLN 60 HB2 GLN 60 6.486 -8.763 -8.090 511 HB3 GLN 60 HB3 GLN 60 8.093 -8.164 -8.481 512 HG2 GLN 60 HG2 GLN 60 9.069 -10.126 -8.042 513 HG3 GLN 60 HG3 GLN 60 8.072 -10.418 -6.618 514 HE21 GLN 60 HE21 GLN 60 7.590 -10.129 -10.127 515 HE22 GLN 60 HE22 GLN 60 6.607 -11.540 -10.279 516 H LYS 61 H LYS 61 9.423 -6.540 -7.387 517 HA LYS 61 HA LYS 61 11.686 -7.776 -6.349 518 HB2 LYS 61 HB2 LYS 61 11.083 -5.386 -7.818 519 HB3 LYS 61 HB3 LYS 61 12.261 -5.013 -6.568 520 HG2 LYS 61 HG2 LYS 61 13.669 -6.869 -7.399 521 HG3 LYS 61 HG3 LYS 61 12.511 -7.116 -8.708 522 HD2 LYS 61 HD2 LYS 61 12.893 -4.749 -9.398 523 HD3 LYS 61 HD3 LYS 61 14.170 -4.652 -8.182 524 HE2 LYS 61 HE2 LYS 61 15.188 -6.684 -9.343 525 HE3 LYS 61 HE3 LYS 61 14.068 -6.347 -10.662 526 HZ1 LYS 61 HZ1 LYS 61 15.116 -3.952 -10.363 527 HZ2 LYS 61 HZ2 LYS 61 16.427 -4.863 -9.803 528 HZ3 LYS 61 HZ3 LYS 61 15.821 -5.124 -11.360 529 H VAL 62 H VAL 62 10.356 -4.660 -5.225 530 HA VAL 62 HA VAL 62 11.858 -4.410 -2.924 531 HB VAL 62 HB VAL 62 8.995 -3.527 -3.312 532 HG11 VAL 62 HG11 VAL 62 10.103 -1.684 -1.682 533 HG12 VAL 62 HG12 VAL 62 9.187 -3.079 -1.111 534 HG13 VAL 62 HG13 VAL 62 10.949 -3.135 -1.145 535 HG21 VAL 62 HG21 VAL 62 9.864 -2.205 -4.888 536 HG22 VAL 62 HG22 VAL 62 10.653 -1.333 -3.573 537 HG23 VAL 62 HG23 VAL 62 11.517 -2.612 -4.427 538 H LYS 63 H LYS 63 8.760 -6.074 -3.356 539 HA LYS 63 HA LYS 63 8.170 -6.712 -0.738 540 HB2 LYS 63 HB2 LYS 63 6.583 -7.211 -2.448 541 HB3 LYS 63 HB3 LYS 63 7.714 -8.269 -3.280 542 HG2 LYS 63 HG2 LYS 63 7.115 -9.043 -0.515 543 HG3 LYS 63 HG3 LYS 63 5.745 -9.110 -1.626 544 HD2 LYS 63 HD2 LYS 63 6.647 -10.801 -2.849 545 HD3 LYS 63 HD3 LYS 63 8.304 -10.256 -2.580 546 HE2 LYS 63 HE2 LYS 63 8.559 -11.712 -0.920 547 HE3 LYS 63 HE3 LYS 63 7.140 -11.071 -0.093 548 HZ1 LYS 63 HZ1 LYS 63 6.475 -13.202 -0.455 549 HZ2 LYS 63 HZ2 LYS 63 5.913 -12.506 -1.892 550 HZ3 LYS 63 HZ3 LYS 63 7.364 -13.375 -1.885 551 H GLN 64 H GLN 64 10.291 -8.436 -2.993 552 HA GLN 64 HA GLN 64 10.890 -10.611 -1.318 553 HB2 GLN 64 HB2 GLN 64 11.776 -9.589 -3.856 554 HB3 GLN 64 HB3 GLN 64 13.166 -10.086 -2.903 555 HG2 GLN 64 HG2 GLN 64 11.790 -12.247 -2.496 556 HG3 GLN 64 HG3 GLN 64 10.886 -11.722 -3.916 557 HE21 GLN 64 HE21 GLN 64 12.071 -14.043 -4.180 558 HE22 GLN 64 HE22 GLN 64 13.497 -13.944 -5.148 559 H GLU 65 H GLU 65 12.540 -7.504 -1.792 560 HA GLU 65 HA GLU 65 14.541 -8.108 0.191 561 HB2 GLU 65 HB2 GLU 65 14.049 -6.011 -1.779 562 HB3 GLU 65 HB3 GLU 65 14.646 -5.377 -0.252 563 HG2 GLU 65 HG2 GLU 65 16.023 -7.700 -1.513 564 HG3 GLU 65 HG3 GLU 65 16.303 -6.074 -2.134 565 H ALA 66 H ALA 66 11.369 -7.359 0.438 566 HA ALA 66 HA ALA 66 11.680 -5.660 2.811 567 HB1 ALA 66 HB1 ALA 66 9.513 -6.099 0.850 568 HB2 ALA 66 HB2 ALA 66 9.023 -5.792 2.516 569 HB3 ALA 66 HB3 ALA 66 10.030 -4.621 1.662 570 H ASN 67 H ASN 67 10.610 -8.816 1.756 571 HA ASN 67 HA ASN 67 10.131 -10.724 2.902 572 HB2 ASN 67 HB2 ASN 67 12.132 -9.707 4.314 573 HB3 ASN 67 HB3 ASN 67 10.870 -9.503 5.525 574 HD21 ASN 67 HD21 ASN 67 9.475 -11.521 5.804 575 HD22 ASN 67 HD22 ASN 67 10.332 -13.017 5.910 576 H VAL 68 H VAL 68 8.017 -9.111 2.374 577 HA VAL 68 HA VAL 68 6.271 -9.666 4.652 578 HB VAL 68 HB VAL 68 5.152 -7.494 4.475 579 HG11 VAL 68 HG11 VAL 68 6.806 -6.173 5.608 580 HG12 VAL 68 HG12 VAL 68 7.007 -7.859 6.088 581 HG13 VAL 68 HG13 VAL 68 8.112 -7.137 4.918 582 HG21 VAL 68 HG21 VAL 68 7.304 -6.924 2.448 583 HG22 VAL 68 HG22 VAL 68 5.556 -6.873 2.218 584 HG23 VAL 68 HG23 VAL 68 6.349 -5.663 3.226 585 H GLN 69 H GLN 69 3.906 -9.209 3.971 586 HA GLN 69 HA GLN 69 3.506 -10.560 1.422 587 HB2 GLN 69 HB2 GLN 69 1.979 -10.249 3.920 588 HB3 GLN 69 HB3 GLN 69 1.005 -10.227 2.455 589 HG2 GLN 69 HG2 GLN 69 1.810 -12.381 1.808 590 HG3 GLN 69 HG3 GLN 69 2.986 -12.389 3.121 591 HE21 GLN 69 HE21 GLN 69 1.860 -14.489 3.484 592 HE22 GLN 69 HE22 GLN 69 0.472 -14.481 4.512 593 H VAL 70 H VAL 70 3.066 -9.479 -0.371 594 HA VAL 70 HA VAL 70 1.941 -6.766 -0.144 595 HB VAL 70 HB VAL 70 3.593 -7.970 -2.367 596 HG11 VAL 70 HG11 VAL 70 2.383 -6.496 -3.593 597 HG12 VAL 70 HG12 VAL 70 1.963 -5.508 -2.194 598 HG13 VAL 70 HG13 VAL 70 3.556 -5.356 -2.934 599 HG21 VAL 70 HG21 VAL 70 4.192 -5.999 -0.182 600 HG22 VAL 70 HG22 VAL 70 5.057 -7.477 -0.604 601 HG23 VAL 70 HG23 VAL 70 5.151 -6.069 -1.661 602 H TYR 71 H TYR 71 0.219 -6.151 -1.433 603 HA TYR 71 HA TYR 71 -1.056 -8.260 -3.038 604 HB2 TYR 71 HB2 TYR 71 -2.225 -6.665 -0.792 605 HB3 TYR 71 HB3 TYR 71 -3.263 -7.143 -2.132 606 HD1 TYR 71 HD1 TYR 71 -0.714 -8.683 0.134 607 HD2 TYR 71 HD2 TYR 71 -4.426 -9.117 -1.900 608 HE1 TYR 71 HE1 TYR 71 -1.013 -10.896 1.164 609 HE2 TYR 71 HE2 TYR 71 -4.735 -11.331 -0.875 610 HH TYR 71 HH TYR 71 -2.571 -13.141 0.281 611 H ARG 72 H ARG 72 -2.102 -7.588 -4.875 612 HA ARG 72 HA ARG 72 -1.646 -4.789 -5.630 613 HB2 ARG 72 HB2 ARG 72 -1.271 -7.257 -6.986 614 HB3 ARG 72 HB3 ARG 72 -2.541 -6.380 -7.829 615 HG2 ARG 72 HG2 ARG 72 -1.112 -4.514 -8.203 616 HG3 ARG 72 HG3 ARG 72 0.129 -5.182 -7.142 617 HD2 ARG 72 HD2 ARG 72 0.981 -6.436 -8.779 618 HD3 ARG 72 HD3 ARG 72 -0.612 -7.030 -9.249 619 HE ARG 72 HE ARG 72 0.873 -4.908 -10.477 620 HH11 ARG 72 HH11 ARG 72 -2.316 -6.168 -9.877 621 HH12 ARG 72 HH12 ARG 72 -3.023 -5.395 -11.256 622 HH21 ARG 72 HH21 ARG 72 -0.046 -3.887 -12.299 623 HH22 ARG 72 HH22 ARG 72 -1.731 -4.100 -12.634 624 H VAL 73 H VAL 73 -3.277 -3.504 -6.454 625 HA VAL 73 HA VAL 73 -6.000 -4.455 -5.892 626 HB VAL 73 HB VAL 73 -4.887 -1.656 -6.094 627 HG11 VAL 73 HG11 VAL 73 -7.738 -2.558 -5.699 628 HG12 VAL 73 HG12 VAL 73 -7.163 -0.906 -5.475 629 HG13 VAL 73 HG13 VAL 73 -7.094 -1.655 -7.070 630 HG21 VAL 73 HG21 VAL 73 -6.133 -1.881 -3.683 631 HG22 VAL 73 HG22 VAL 73 -5.488 -3.508 -3.902 632 HG23 VAL 73 HG23 VAL 73 -4.405 -2.116 -3.949 633 H THR 74 H THR 74 -7.480 -4.635 -7.463 634 HA THR 74 HA THR 74 -6.731 -3.705 -10.158 635 HB THR 74 HB THR 74 -8.768 -5.627 -10.419 636 HG1 THR 74 HG1 THR 74 -8.236 -7.246 -9.104 637 HG21 THR 74 HG21 THR 74 -5.902 -5.349 -11.097 638 HG22 THR 74 HG22 THR 74 -6.561 -6.984 -11.145 639 HG23 THR 74 HG23 THR 74 -7.282 -5.713 -12.132 640 H SER 75 H SER 75 -9.152 -3.699 -7.682 641 HA SER 75 HA SER 75 -10.628 -1.650 -9.097 642 HB2 SER 75 HB2 SER 75 -12.786 -2.778 -8.967 643 HB3 SER 75 HB3 SER 75 -11.661 -3.752 -9.913 644 HG SER 75 HG SER 75 -12.914 -4.917 -8.297 645 H ASN 76 H ASN 76 -12.334 -0.685 -7.722 646 HA ASN 76 HA ASN 76 -11.383 0.023 -5.218 647 HB2 ASN 76 HB2 ASN 76 -12.972 1.457 -6.234 648 HB3 ASN 76 HB3 ASN 76 -14.146 0.157 -6.417 649 HD21 ASN 76 HD21 ASN 76 -13.056 2.694 -4.478 650 HD22 ASN 76 HD22 ASN 76 -14.068 2.409 -3.106 651 H ASP 77 H ASP 77 -13.547 -2.583 -6.144 652 HA ASP 77 HA ASP 77 -14.455 -3.285 -3.574 653 HB2 ASP 77 HB2 ASP 77 -14.881 -4.193 -6.166 654 HB3 ASP 77 HB3 ASP 77 -14.132 -5.566 -5.355 655 H GLU 78 H GLU 78 -11.464 -3.871 -5.226 656 HA GLU 78 HA GLU 78 -10.611 -6.041 -3.561 657 HB2 GLU 78 HB2 GLU 78 -9.687 -4.755 -5.918 658 HB3 GLU 78 HB3 GLU 78 -8.391 -4.672 -4.734 659 HG2 GLU 78 HG2 GLU 78 -9.811 -7.246 -5.289 660 HG3 GLU 78 HG3 GLU 78 -8.489 -6.688 -6.314 661 H VAL 79 H VAL 79 -10.321 -2.556 -3.497 662 HA VAL 79 HA VAL 79 -8.282 -2.416 -1.522 663 HB VAL 79 HB VAL 79 -10.365 -0.369 -2.298 664 HG11 VAL 79 HG11 VAL 79 -8.477 -0.404 -0.141 665 HG12 VAL 79 HG12 VAL 79 -8.050 0.866 -1.288 666 HG13 VAL 79 HG13 VAL 79 -9.660 0.833 -0.568 667 HG21 VAL 79 HG21 VAL 79 -8.564 -1.281 -3.971 668 HG22 VAL 79 HG22 VAL 79 -8.902 0.447 -3.871 669 HG23 VAL 79 HG23 VAL 79 -7.485 -0.223 -3.061 670 H GLU 80 H GLU 80 -11.817 -2.009 -1.350 671 HA GLU 80 HA GLU 80 -11.895 -1.708 1.465 672 HB2 GLU 80 HB2 GLU 80 -13.855 -2.048 -0.715 673 HB3 GLU 80 HB3 GLU 80 -14.387 -2.613 0.863 674 HG2 GLU 80 HG2 GLU 80 -13.293 -0.168 1.441 675 HG3 GLU 80 HG3 GLU 80 -14.035 0.098 -0.136 676 H GLN 81 H GLN 81 -11.983 -4.477 -0.666 677 HA GLN 81 HA GLN 81 -12.891 -6.362 1.256 678 HB2 GLN 81 HB2 GLN 81 -13.109 -6.892 -1.072 679 HB3 GLN 81 HB3 GLN 81 -11.382 -6.685 -1.339 680 HG2 GLN 81 HG2 GLN 81 -12.248 -9.058 -1.232 681 HG3 GLN 81 HG3 GLN 81 -10.857 -8.673 -0.221 682 HE21 GLN 81 HE21 GLN 81 -10.977 -9.695 1.634 683 HE22 GLN 81 HE22 GLN 81 -12.401 -9.930 2.583 684 H VAL 82 H VAL 82 -9.647 -5.650 -0.037 685 HA VAL 82 HA VAL 82 -8.201 -7.440 1.520 686 HB VAL 82 HB VAL 82 -7.395 -4.746 0.427 687 HG11 VAL 82 HG11 VAL 82 -5.724 -4.919 1.943 688 HG12 VAL 82 HG12 VAL 82 -5.920 -6.662 2.124 689 HG13 VAL 82 HG13 VAL 82 -5.051 -6.013 0.734 690 HG21 VAL 82 HG21 VAL 82 -8.028 -6.782 -1.058 691 HG22 VAL 82 HG22 VAL 82 -6.559 -5.875 -1.414 692 HG23 VAL 82 HG23 VAL 82 -6.459 -7.413 -0.556 693 H VAL 83 H VAL 83 -8.921 -4.016 2.185 694 HA VAL 83 HA VAL 83 -7.666 -3.952 4.715 695 HB VAL 83 HB VAL 83 -8.154 -1.901 3.495 696 HG11 VAL 83 HG11 VAL 83 -10.254 -1.149 2.925 697 HG12 VAL 83 HG12 VAL 83 -10.444 -2.890 2.721 698 HG13 VAL 83 HG13 VAL 83 -11.052 -2.102 4.177 699 HG21 VAL 83 HG21 VAL 83 -9.829 -1.145 5.655 700 HG22 VAL 83 HG22 VAL 83 -8.699 -2.364 6.245 701 HG23 VAL 83 HG23 VAL 83 -8.092 -0.899 5.475 702 H LYS 84 H LYS 84 -10.976 -4.638 3.700 703 HA LYS 84 HA LYS 84 -12.323 -4.602 6.088 704 HB2 LYS 84 HB2 LYS 84 -12.624 -6.019 3.534 705 HB3 LYS 84 HB3 LYS 84 -13.378 -6.837 4.896 706 HG2 LYS 84 HG2 LYS 84 -14.772 -4.981 5.360 707 HG3 LYS 84 HG3 LYS 84 -13.866 -3.942 4.257 708 HD2 LYS 84 HD2 LYS 84 -14.880 -4.792 2.408 709 HD3 LYS 84 HD3 LYS 84 -15.049 -6.403 3.109 710 HE2 LYS 84 HE2 LYS 84 -17.150 -5.970 3.684 711 HE3 LYS 84 HE3 LYS 84 -16.641 -4.551 4.596 712 HZ1 LYS 84 HZ1 LYS 84 -18.244 -4.408 2.504 713 HZ2 LYS 84 HZ2 LYS 84 -17.171 -3.164 2.911 714 HZ3 LYS 84 HZ3 LYS 84 -16.761 -4.271 1.699 715 H ASP 85 H ASP 85 -11.053 -7.629 4.695 716 HA ASP 85 HA ASP 85 -11.185 -9.023 7.159 717 HB2 ASP 85 HB2 ASP 85 -11.123 -9.928 4.712 718 HB3 ASP 85 HB3 ASP 85 -9.376 -9.865 4.918 719 H VAL 86 H VAL 86 -8.786 -7.009 5.690 720 HA VAL 86 HA VAL 86 -6.842 -6.143 6.516 721 HB VAL 86 HB VAL 86 -7.290 -7.748 9.028 722 HG11 VAL 86 HG11 VAL 86 -5.074 -6.737 8.754 723 HG12 VAL 86 HG12 VAL 86 -5.826 -5.158 8.528 724 HG13 VAL 86 HG13 VAL 86 -5.971 -5.990 10.076 725 HG21 VAL 86 HG21 VAL 86 -8.466 -5.805 9.931 726 HG22 VAL 86 HG22 VAL 86 -8.350 -5.002 8.365 727 HG23 VAL 86 HG23 VAL 86 -9.312 -6.470 8.534 728 H LYS 87 H LYS 87 -6.923 -9.356 8.056 729 HA LYS 87 HA LYS 87 -4.678 -10.168 6.346 730 HB2 LYS 87 HB2 LYS 87 -4.325 -9.465 8.971 731 HB3 LYS 87 HB3 LYS 87 -4.564 -11.203 9.094 732 HG2 LYS 87 HG2 LYS 87 -2.802 -11.130 7.071 733 HG3 LYS 87 HG3 LYS 87 -2.326 -9.671 7.944 734 HD2 LYS 87 HD2 LYS 87 -1.097 -11.068 9.199 735 HD3 LYS 87 HD3 LYS 87 -2.630 -11.467 9.977 736 HE2 LYS 87 HE2 LYS 87 -1.715 -12.918 7.519 737 HE3 LYS 87 HE3 LYS 87 -1.138 -13.388 9.117 738 HZ1 LYS 87 HZ1 LYS 87 -4.024 -13.076 8.707 739 HZ2 LYS 87 HZ2 LYS 87 -3.271 -14.460 8.093 740 HZ3 LYS 87 HZ3 LYS 87 -3.190 -14.117 9.747 741 H GLY 88 H GLY 88 -4.671 -12.293 5.719 742 HA2 GLY 88 HA2 GLY 88 -5.759 -14.506 6.822 743 HA3 GLY 88 HA3 GLY 88 -7.153 -13.730 6.087 744 H SER 89 H SER 89 -7.550 -15.229 4.513 745 HA SER 89 HA SER 89 -5.628 -15.273 2.309 746 HB2 SER 89 HB2 SER 89 -6.414 -17.589 3.955 747 HB3 SER 89 HB3 SER 89 -6.516 -17.850 2.214 748 HG SER 89 HG SER 89 -4.223 -16.629 3.248 749 H GLY 90 H GLY 90 -6.563 -15.159 0.341 750 HA2 GLY 90 HA2 GLY 90 -9.008 -16.189 -0.455 751 HA3 GLY 90 HA3 GLY 90 -9.342 -14.577 0.164 752 H LEU 91 H LEU 91 -7.978 -16.433 -2.410 753 HA LEU 91 HA LEU 91 -8.007 -14.104 -4.125 754 HB2 LEU 91 HB2 LEU 91 -5.733 -14.171 -3.051 755 HB3 LEU 91 HB3 LEU 91 -5.470 -15.706 -3.876 756 HG LEU 91 HG LEU 91 -6.061 -14.240 -6.005 757 HD11 LEU 91 HD11 LEU 91 -4.686 -12.025 -5.435 758 HD12 LEU 91 HD12 LEU 91 -6.442 -12.120 -5.315 759 HD13 LEU 91 HD13 LEU 91 -5.450 -12.292 -3.868 760 HD21 LEU 91 HD21 LEU 91 -3.415 -13.565 -5.668 761 HD22 LEU 91 HD22 LEU 91 -3.609 -14.965 -4.613 762 HD23 LEU 91 HD23 LEU 91 -4.020 -15.086 -6.324 763 H GLU 92 H GLU 92 -9.151 -14.794 -5.799 764 HA GLU 92 HA GLU 92 -9.333 -17.563 -6.502 765 HB2 GLU 92 HB2 GLU 92 -10.725 -15.118 -7.140 766 HB3 GLU 92 HB3 GLU 92 -10.386 -16.025 -8.607 767 HG2 GLU 92 HG2 GLU 92 -11.302 -17.988 -6.974 768 HG3 GLU 92 HG3 GLU 92 -12.240 -16.603 -6.417 769 H HIS 93 H HIS 93 -8.506 -18.628 -8.263 770 HA HIS 93 HA HIS 93 -6.781 -17.166 -10.113 771 HB2 HIS 93 HB2 HIS 93 -5.755 -18.662 -7.942 772 HB3 HIS 93 HB3 HIS 93 -5.456 -19.610 -9.396 773 HD1 HIS 93 HD1 HIS 93 -5.215 -15.854 -8.813 774 HD2 HIS 93 HD2 HIS 93 -2.903 -19.063 -10.084 775 HE1 HIS 93 HE1 HIS 93 -3.004 -14.864 -9.491 776 H HIS 94 H HIS 94 -7.138 -17.810 -12.130 777 HA HIS 94 HA HIS 94 -7.835 -20.589 -12.676 778 HB2 HIS 94 HB2 HIS 94 -9.573 -18.228 -13.393 779 HB3 HIS 94 HB3 HIS 94 -9.705 -19.788 -14.200 780 HD1 HIS 94 HD1 HIS 94 -10.258 -21.856 -12.501 781 HD2 HIS 94 HD2 HIS 94 -11.071 -18.015 -11.141 782 HE1 HIS 94 HE1 HIS 94 -11.849 -22.148 -10.576 783 H HIS 95 H HIS 95 -6.572 -21.272 -14.264 784 HA HIS 95 HA HIS 95 -5.994 -19.492 -16.514 785 HB2 HIS 95 HB2 HIS 95 -3.600 -20.155 -16.469 786 HB3 HIS 95 HB3 HIS 95 -4.076 -19.212 -15.059 787 HD1 HIS 95 HD1 HIS 95 -4.595 -20.730 -12.849 788 HD2 HIS 95 HD2 HIS 95 -2.355 -22.491 -15.873 789 HE1 HIS 95 HE1 HIS 95 -3.447 -22.696 -11.778 790 H HIS 96 H HIS 96 -7.802 -21.610 -16.441 791 HA HIS 96 HA HIS 96 -6.453 -23.584 -18.162 792 HB2 HIS 96 HB2 HIS 96 -8.285 -25.181 -17.368 793 HB3 HIS 96 HB3 HIS 96 -7.013 -24.795 -16.213 794 HD1 HIS 96 HD1 HIS 96 -9.786 -22.363 -16.816 795 HD2 HIS 96 HD2 HIS 96 -8.707 -25.254 -14.034 796 HE1 HIS 96 HE1 HIS 96 -11.326 -22.018 -14.857 797 H HIS 97 H HIS 97 -7.846 -24.587 -19.789 798 HA HIS 97 HA HIS 97 -10.408 -23.581 -20.420 799 HB2 HIS 97 HB2 HIS 97 -8.840 -21.600 -20.941 800 HB3 HIS 97 HB3 HIS 97 -8.298 -22.564 -22.312 801 HD1 HIS 97 HD1 HIS 97 -11.897 -22.637 -21.322 802 HD2 HIS 97 HD2 HIS 97 -9.465 -20.773 -24.128 803 HE1 HIS 97 HE1 HIS 97 -13.467 -21.592 -22.986 804 H HIS 98 H HIS 98 -11.120 -25.532 -21.039 805 HA HIS 98 HA HIS 98 -11.351 -27.476 -22.201 806 HB2 HIS 98 HB2 HIS 98 -11.254 -25.560 -24.030 807 HB3 HIS 98 HB3 HIS 98 -9.761 -26.379 -24.477 808 HD1 HIS 98 HD1 HIS 98 -9.960 -28.699 -25.561 809 HD2 HIS 98 HD2 HIS 98 -13.614 -27.003 -24.544 810 HE1 HIS 98 HE1 HIS 98 -11.700 -30.113 -26.703 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -4.790 -7.483 10.292 2 HA2 GLY 1 HA2 GLY 1 -2.703 -7.461 12.202 3 HA3 GLY 1 HA3 GLY 1 -2.113 -8.146 10.696 4 H ARG 2 H ARG 2 -0.692 -6.454 10.294 5 HA ARG 2 HA ARG 2 -1.813 -3.770 10.006 6 HB2 ARG 2 HB2 ARG 2 0.660 -4.727 10.884 7 HB3 ARG 2 HB3 ARG 2 0.990 -4.022 9.308 8 HG2 ARG 2 HG2 ARG 2 1.190 -2.104 10.429 9 HG3 ARG 2 HG3 ARG 2 -0.575 -2.109 10.451 10 HD2 ARG 2 HD2 ARG 2 -0.683 -2.660 12.648 11 HD3 ARG 2 HD3 ARG 2 0.778 -3.646 12.582 12 HE ARG 2 HE ARG 2 1.993 -1.815 13.217 13 HH11 ARG 2 HH11 ARG 2 -1.133 -0.769 12.096 14 HH12 ARG 2 HH12 ARG 2 -0.899 0.878 12.582 15 HH21 ARG 2 HH21 ARG 2 2.312 0.350 13.859 16 HH22 ARG 2 HH22 ARG 2 1.061 1.514 13.582 17 H VAL 3 H VAL 3 -1.627 -2.569 8.079 18 HA VAL 3 HA VAL 3 -0.647 -3.786 5.666 19 HB VAL 3 HB VAL 3 -2.835 -4.894 5.855 20 HG11 VAL 3 HG11 VAL 3 -4.860 -3.781 6.021 21 HG12 VAL 3 HG12 VAL 3 -3.819 -2.829 7.079 22 HG13 VAL 3 HG13 VAL 3 -4.186 -2.254 5.452 23 HG21 VAL 3 HG21 VAL 3 -2.898 -2.845 3.647 24 HG22 VAL 3 HG22 VAL 3 -1.823 -4.243 3.648 25 HG23 VAL 3 HG23 VAL 3 -3.570 -4.475 3.630 26 H VAL 4 H VAL 4 -0.618 -2.340 3.878 27 HA VAL 4 HA VAL 4 -1.360 0.439 4.488 28 HB VAL 4 HB VAL 4 1.256 -0.333 3.194 29 HG11 VAL 4 HG11 VAL 4 0.656 1.804 2.439 30 HG12 VAL 4 HG12 VAL 4 0.014 2.275 4.013 31 HG13 VAL 4 HG13 VAL 4 1.755 2.102 3.787 32 HG21 VAL 4 HG21 VAL 4 1.215 -1.019 5.549 33 HG22 VAL 4 HG22 VAL 4 2.335 0.316 5.276 34 HG23 VAL 4 HG23 VAL 4 0.762 0.621 6.013 35 H VAL 5 H VAL 5 -2.331 1.487 2.859 36 HA VAL 5 HA VAL 5 -2.642 0.064 0.321 37 HB VAL 5 HB VAL 5 -4.121 2.523 1.257 38 HG11 VAL 5 HG11 VAL 5 -5.612 0.881 -0.513 39 HG12 VAL 5 HG12 VAL 5 -5.025 2.524 -0.770 40 HG13 VAL 5 HG13 VAL 5 -4.020 1.147 -1.224 41 HG21 VAL 5 HG21 VAL 5 -4.654 0.877 2.853 42 HG22 VAL 5 HG22 VAL 5 -5.981 0.841 1.691 43 HG23 VAL 5 HG23 VAL 5 -4.725 -0.397 1.636 44 H VAL 6 H VAL 6 -1.516 0.640 -1.408 45 HA VAL 6 HA VAL 6 -0.388 3.362 -1.513 46 HB VAL 6 HB VAL 6 0.713 0.926 -2.913 47 HG11 VAL 6 HG11 VAL 6 1.690 2.591 -4.081 48 HG12 VAL 6 HG12 VAL 6 1.410 3.787 -2.815 49 HG13 VAL 6 HG13 VAL 6 2.762 2.663 -2.682 50 HG21 VAL 6 HG21 VAL 6 2.565 1.301 -1.109 51 HG22 VAL 6 HG22 VAL 6 1.251 2.044 -0.198 52 HG23 VAL 6 HG23 VAL 6 1.124 0.364 -0.718 53 H VAL 7 H VAL 7 -0.667 4.577 -3.323 54 HA VAL 7 HA VAL 7 -2.131 3.357 -5.568 55 HB VAL 7 HB VAL 7 -3.460 5.385 -5.824 56 HG11 VAL 7 HG11 VAL 7 -4.571 3.748 -4.575 57 HG12 VAL 7 HG12 VAL 7 -3.548 4.004 -3.161 58 HG13 VAL 7 HG13 VAL 7 -4.744 5.218 -3.615 59 HG21 VAL 7 HG21 VAL 7 -1.790 6.938 -4.849 60 HG22 VAL 7 HG22 VAL 7 -3.418 7.174 -4.211 61 HG23 VAL 7 HG23 VAL 7 -2.207 6.328 -3.248 62 H THR 8 H THR 8 -1.897 4.474 -7.609 63 HA THR 8 HA THR 8 0.786 5.564 -7.912 64 HB THR 8 HB THR 8 0.223 3.837 -9.479 65 HG1 THR 8 HG1 THR 8 0.968 4.902 -11.191 66 HG21 THR 8 HG21 THR 8 -1.860 3.534 -10.204 67 HG22 THR 8 HG22 THR 8 -2.352 5.033 -9.418 68 HG23 THR 8 HG23 THR 8 -1.783 5.058 -11.087 69 H SER 9 H SER 9 -2.462 6.646 -7.803 70 HA SER 9 HA SER 9 -1.613 9.297 -8.772 71 HB2 SER 9 HB2 SER 9 -4.441 8.254 -8.943 72 HB3 SER 9 HB3 SER 9 -3.756 9.672 -9.737 73 HG SER 9 HG SER 9 -2.354 8.118 -10.855 74 H GLU 10 H GLU 10 -2.318 11.094 -7.633 75 HA GLU 10 HA GLU 10 -2.663 10.785 -4.861 76 HB2 GLU 10 HB2 GLU 10 -3.061 13.209 -4.827 77 HB3 GLU 10 HB3 GLU 10 -1.675 12.794 -5.825 78 HG2 GLU 10 HG2 GLU 10 -3.488 12.814 -7.739 79 HG3 GLU 10 HG3 GLU 10 -4.322 13.880 -6.608 80 H GLN 11 H GLN 11 -4.952 11.184 -7.481 81 HA GLN 11 HA GLN 11 -7.234 11.901 -6.074 82 HB2 GLN 11 HB2 GLN 11 -6.630 10.710 -8.668 83 HB3 GLN 11 HB3 GLN 11 -8.171 10.169 -8.018 84 HG2 GLN 11 HG2 GLN 11 -8.932 12.447 -7.810 85 HG3 GLN 11 HG3 GLN 11 -7.359 13.049 -8.331 86 HE21 GLN 11 HE21 GLN 11 -7.635 13.927 -10.257 87 HE22 GLN 11 HE22 GLN 11 -8.456 13.201 -11.592 88 H VAL 12 H VAL 12 -6.035 8.634 -6.821 89 HA VAL 12 HA VAL 12 -8.086 7.232 -5.504 90 HB VAL 12 HB VAL 12 -5.245 6.269 -5.818 91 HG11 VAL 12 HG11 VAL 12 -6.175 4.079 -5.798 92 HG12 VAL 12 HG12 VAL 12 -6.856 4.945 -4.420 93 HG13 VAL 12 HG13 VAL 12 -7.820 4.709 -5.879 94 HG21 VAL 12 HG21 VAL 12 -7.457 6.501 -7.831 95 HG22 VAL 12 HG22 VAL 12 -5.764 6.973 -7.982 96 HG23 VAL 12 HG23 VAL 12 -6.207 5.266 -7.983 97 H LYS 13 H LYS 13 -5.046 8.579 -4.366 98 HA LYS 13 HA LYS 13 -4.910 7.317 -1.872 99 HB2 LYS 13 HB2 LYS 13 -3.089 8.665 -2.919 100 HB3 LYS 13 HB3 LYS 13 -4.000 10.122 -2.541 101 HG2 LYS 13 HG2 LYS 13 -3.832 8.740 -0.131 102 HG3 LYS 13 HG3 LYS 13 -2.240 8.566 -0.873 103 HD2 LYS 13 HD2 LYS 13 -2.231 11.040 -1.238 104 HD3 LYS 13 HD3 LYS 13 -3.719 11.129 -0.295 105 HE2 LYS 13 HE2 LYS 13 -2.246 9.749 1.432 106 HE3 LYS 13 HE3 LYS 13 -0.937 10.564 0.579 107 HZ1 LYS 13 HZ1 LYS 13 -2.467 12.636 0.988 108 HZ2 LYS 13 HZ2 LYS 13 -3.041 11.697 2.272 109 HZ3 LYS 13 HZ3 LYS 13 -1.399 12.093 2.182 110 H GLU 14 H GLU 14 -6.327 10.467 -2.744 111 HA GLU 14 HA GLU 14 -7.250 11.168 -0.208 112 HB2 GLU 14 HB2 GLU 14 -8.125 11.886 -2.987 113 HB3 GLU 14 HB3 GLU 14 -9.028 12.467 -1.595 114 HG2 GLU 14 HG2 GLU 14 -6.578 13.179 -0.825 115 HG3 GLU 14 HG3 GLU 14 -6.345 13.223 -2.571 116 H GLU 15 H GLU 15 -8.790 9.260 -2.755 117 HA GLU 15 HA GLU 15 -11.297 8.981 -1.489 118 HB2 GLU 15 HB2 GLU 15 -9.996 7.066 -3.430 119 HB3 GLU 15 HB3 GLU 15 -11.713 7.195 -3.075 120 HG2 GLU 15 HG2 GLU 15 -10.899 9.756 -3.858 121 HG3 GLU 15 HG3 GLU 15 -10.134 8.635 -4.983 122 H VAL 16 H VAL 16 -8.331 7.080 -1.367 123 HA VAL 16 HA VAL 16 -9.421 4.940 0.160 124 HB VAL 16 HB VAL 16 -6.546 5.812 -0.157 125 HG11 VAL 16 HG11 VAL 16 -7.772 3.798 1.510 126 HG12 VAL 16 HG12 VAL 16 -6.651 3.078 0.355 127 HG13 VAL 16 HG13 VAL 16 -6.095 4.341 1.452 128 HG21 VAL 16 HG21 VAL 16 -6.424 4.600 -2.059 129 HG22 VAL 16 HG22 VAL 16 -7.573 3.389 -1.490 130 HG23 VAL 16 HG23 VAL 16 -8.156 4.928 -2.123 131 H ARG 17 H ARG 17 -7.363 7.715 1.029 132 HA ARG 17 HA ARG 17 -7.178 7.219 3.759 133 HB2 ARG 17 HB2 ARG 17 -5.826 8.903 2.590 134 HB3 ARG 17 HB3 ARG 17 -7.259 9.894 2.353 135 HG2 ARG 17 HG2 ARG 17 -7.432 9.813 4.939 136 HG3 ARG 17 HG3 ARG 17 -5.730 9.352 4.857 137 HD2 ARG 17 HD2 ARG 17 -5.241 11.517 4.719 138 HD3 ARG 17 HD3 ARG 17 -5.971 11.509 3.114 139 HE ARG 17 HE ARG 17 -8.035 11.831 4.937 140 HH11 ARG 17 HH11 ARG 17 -5.178 13.551 3.937 141 HH12 ARG 17 HH12 ARG 17 -5.833 15.113 4.301 142 HH21 ARG 17 HH21 ARG 17 -8.907 13.882 5.421 143 HH22 ARG 17 HH22 ARG 17 -7.954 15.300 5.146 144 H LYS 18 H LYS 18 -9.752 8.670 1.888 145 HA LYS 18 HA LYS 18 -11.196 9.703 4.129 146 HB2 LYS 18 HB2 LYS 18 -11.345 10.382 1.627 147 HB3 LYS 18 HB3 LYS 18 -12.450 9.021 1.485 148 HG2 LYS 18 HG2 LYS 18 -13.318 10.473 3.715 149 HG3 LYS 18 HG3 LYS 18 -12.937 11.668 2.473 150 HD2 LYS 18 HD2 LYS 18 -14.386 10.550 0.896 151 HD3 LYS 18 HD3 LYS 18 -14.687 9.246 2.047 152 HE2 LYS 18 HE2 LYS 18 -16.327 10.399 3.007 153 HE3 LYS 18 HE3 LYS 18 -15.271 11.790 3.249 154 HZ1 LYS 18 HZ1 LYS 18 -16.284 12.859 1.612 155 HZ2 LYS 18 HZ2 LYS 18 -16.034 11.583 0.529 156 HZ3 LYS 18 HZ3 LYS 18 -17.409 11.599 1.513 157 H LYS 19 H LYS 19 -11.325 6.736 2.224 158 HA LYS 19 HA LYS 19 -13.675 5.694 3.412 159 HB2 LYS 19 HB2 LYS 19 -12.157 4.978 1.286 160 HB3 LYS 19 HB3 LYS 19 -11.637 3.775 2.458 161 HG2 LYS 19 HG2 LYS 19 -13.830 2.926 2.698 162 HG3 LYS 19 HG3 LYS 19 -14.529 4.293 1.828 163 HD2 LYS 19 HD2 LYS 19 -12.920 3.427 -0.088 164 HD3 LYS 19 HD3 LYS 19 -13.091 1.904 0.788 165 HE2 LYS 19 HE2 LYS 19 -15.489 1.993 0.565 166 HE3 LYS 19 HE3 LYS 19 -15.399 3.594 -0.166 167 HZ1 LYS 19 HZ1 LYS 19 -15.254 1.097 -1.429 168 HZ2 LYS 19 HZ2 LYS 19 -15.195 2.635 -2.135 169 HZ3 LYS 19 HZ3 LYS 19 -13.766 1.874 -1.644 170 H PHE 20 H PHE 20 -10.230 5.294 4.125 171 HA PHE 20 HA PHE 20 -10.950 4.388 6.810 172 HB2 PHE 20 HB2 PHE 20 -8.985 2.939 5.023 173 HB3 PHE 20 HB3 PHE 20 -9.273 2.579 6.722 174 HD1 PHE 20 HD1 PHE 20 -10.499 2.227 3.324 175 HD2 PHE 20 HD2 PHE 20 -11.390 1.573 7.435 176 HE1 PHE 20 HE1 PHE 20 -12.305 0.682 2.684 177 HE2 PHE 20 HE2 PHE 20 -13.196 0.026 6.801 178 HZ PHE 20 HZ PHE 20 -13.656 -0.420 4.423 179 HA PRO 21 HA PRO 21 -7.652 7.626 6.825 180 HB2 PRO 21 HB2 PRO 21 -8.711 9.005 8.910 181 HB3 PRO 21 HB3 PRO 21 -9.211 9.264 7.234 182 HG2 PRO 21 HG2 PRO 21 -10.536 7.650 9.379 183 HG3 PRO 21 HG3 PRO 21 -11.265 8.751 8.196 184 HD2 PRO 21 HD2 PRO 21 -11.288 6.061 7.888 185 HD3 PRO 21 HD3 PRO 21 -11.212 7.179 6.511 186 H GLN 22 H GLN 22 -9.076 5.593 9.291 187 HA GLN 22 HA GLN 22 -7.111 6.048 11.292 188 HB2 GLN 22 HB2 GLN 22 -9.439 4.344 10.926 189 HB3 GLN 22 HB3 GLN 22 -8.131 3.500 11.744 190 HG2 GLN 22 HG2 GLN 22 -8.015 5.374 13.369 191 HG3 GLN 22 HG3 GLN 22 -9.434 6.075 12.593 192 HE21 GLN 22 HE21 GLN 22 -11.143 4.150 12.216 193 HE22 GLN 22 HE22 GLN 22 -11.550 3.325 13.678 194 H VAL 23 H VAL 23 -7.274 4.016 8.490 195 HA VAL 23 HA VAL 23 -5.108 2.293 9.320 196 HB VAL 23 HB VAL 23 -7.102 1.805 7.650 197 HG11 VAL 23 HG11 VAL 23 -6.002 3.687 6.157 198 HG12 VAL 23 HG12 VAL 23 -5.023 2.333 5.592 199 HG13 VAL 23 HG13 VAL 23 -6.779 2.277 5.438 200 HG21 VAL 23 HG21 VAL 23 -4.953 0.440 8.437 201 HG22 VAL 23 HG22 VAL 23 -6.049 -0.156 7.190 202 HG23 VAL 23 HG23 VAL 23 -4.539 0.633 6.733 203 H GLU 24 H GLU 24 -3.244 2.004 7.711 204 HA GLU 24 HA GLU 24 -1.945 4.576 7.441 205 HB2 GLU 24 HB2 GLU 24 -1.102 1.732 7.390 206 HB3 GLU 24 HB3 GLU 24 -0.128 2.857 6.453 207 HG2 GLU 24 HG2 GLU 24 0.617 3.976 8.300 208 HG3 GLU 24 HG3 GLU 24 -0.805 3.565 9.258 209 H VAL 25 H VAL 25 -1.700 5.702 5.619 210 HA VAL 25 HA VAL 25 -2.169 4.355 3.046 211 HB VAL 25 HB VAL 25 -4.214 5.550 3.576 212 HG11 VAL 25 HG11 VAL 25 -4.330 7.840 4.105 213 HG12 VAL 25 HG12 VAL 25 -3.028 7.199 5.106 214 HG13 VAL 25 HG13 VAL 25 -2.649 8.115 3.648 215 HG21 VAL 25 HG21 VAL 25 -2.649 5.928 1.272 216 HG22 VAL 25 HG22 VAL 25 -4.401 6.067 1.422 217 HG23 VAL 25 HG23 VAL 25 -3.381 7.491 1.637 218 H ARG 26 H ARG 26 -0.569 4.669 1.652 219 HA ARG 26 HA ARG 26 0.953 7.168 1.735 220 HB2 ARG 26 HB2 ARG 26 2.225 4.424 1.721 221 HB3 ARG 26 HB3 ARG 26 3.082 5.953 1.575 222 HG2 ARG 26 HG2 ARG 26 1.394 5.265 3.961 223 HG3 ARG 26 HG3 ARG 26 3.106 4.855 3.847 224 HD2 ARG 26 HD2 ARG 26 2.290 7.657 3.282 225 HD3 ARG 26 HD3 ARG 26 2.275 7.111 4.958 226 HE ARG 26 HE ARG 26 4.717 6.342 4.008 227 HH11 ARG 26 HH11 ARG 26 2.986 9.356 4.210 228 HH12 ARG 26 HH12 ARG 26 4.418 10.319 4.355 229 HH21 ARG 26 HH21 ARG 26 6.610 7.599 4.198 230 HH22 ARG 26 HH22 ARG 26 6.479 9.320 4.347 231 H VAL 27 H VAL 27 0.918 8.013 -0.231 232 HA VAL 27 HA VAL 27 0.423 6.305 -2.540 233 HB VAL 27 HB VAL 27 -0.949 8.268 -2.434 234 HG11 VAL 27 HG11 VAL 27 0.340 9.686 -1.006 235 HG12 VAL 27 HG12 VAL 27 1.640 9.791 -2.193 236 HG13 VAL 27 HG13 VAL 27 0.080 10.544 -2.525 237 HG21 VAL 27 HG21 VAL 27 0.817 9.322 -4.499 238 HG22 VAL 27 HG22 VAL 27 0.580 7.578 -4.614 239 HG23 VAL 27 HG23 VAL 27 -0.813 8.661 -4.632 240 H VAL 28 H VAL 28 1.891 5.827 -4.062 241 HA VAL 28 HA VAL 28 4.497 7.200 -3.948 242 HB VAL 28 HB VAL 28 5.649 5.171 -4.416 243 HG11 VAL 28 HG11 VAL 28 3.553 4.686 -2.303 244 HG12 VAL 28 HG12 VAL 28 5.042 3.758 -2.483 245 HG13 VAL 28 HG13 VAL 28 5.115 5.474 -2.079 246 HG21 VAL 28 HG21 VAL 28 4.560 3.823 -5.856 247 HG22 VAL 28 HG22 VAL 28 3.984 3.042 -4.383 248 HG23 VAL 28 HG23 VAL 28 2.973 4.231 -5.203 249 H THR 29 H THR 29 5.480 7.707 -5.871 250 HA THR 29 HA THR 29 3.949 7.118 -8.321 251 HB THR 29 HB THR 29 4.805 9.340 -9.182 252 HG1 THR 29 HG1 THR 29 5.146 10.017 -6.454 253 HG21 THR 29 HG21 THR 29 2.481 8.975 -8.398 254 HG22 THR 29 HG22 THR 29 2.975 9.480 -6.783 255 HG23 THR 29 HG23 THR 29 3.046 10.623 -8.123 256 H THR 30 H THR 30 7.091 7.614 -6.844 257 HA THR 30 HA THR 30 8.346 6.477 -9.258 258 HB THR 30 HB THR 30 10.250 7.840 -7.574 259 HG1 THR 30 HG1 THR 30 9.396 9.980 -8.024 260 HG21 THR 30 HG21 THR 30 9.321 8.457 -10.380 261 HG22 THR 30 HG22 THR 30 10.855 8.921 -9.644 262 HG23 THR 30 HG23 THR 30 10.512 7.222 -9.971 263 H GLU 31 H GLU 31 10.550 5.464 -8.695 264 HA GLU 31 HA GLU 31 10.089 3.325 -6.902 265 HB2 GLU 31 HB2 GLU 31 12.704 4.215 -8.131 266 HB3 GLU 31 HB3 GLU 31 12.375 2.642 -7.420 267 HG2 GLU 31 HG2 GLU 31 10.959 2.016 -9.168 268 HG3 GLU 31 HG3 GLU 31 10.782 3.676 -9.735 269 H GLU 32 H GLU 32 11.813 6.366 -6.626 270 HA GLU 32 HA GLU 32 13.134 5.745 -4.179 271 HB2 GLU 32 HB2 GLU 32 13.579 7.637 -5.962 272 HB3 GLU 32 HB3 GLU 32 12.477 8.557 -4.947 273 HG2 GLU 32 HG2 GLU 32 13.952 8.029 -3.004 274 HG3 GLU 32 HG3 GLU 32 15.097 7.323 -4.143 275 H ASP 33 H ASP 33 10.055 7.206 -5.022 276 HA ASP 33 HA ASP 33 9.382 8.203 -2.477 277 HB2 ASP 33 HB2 ASP 33 8.253 8.445 -4.890 278 HB3 ASP 33 HB3 ASP 33 7.216 7.178 -4.240 279 H ALA 34 H ALA 34 8.395 5.176 -4.081 280 HA ALA 34 HA ALA 34 6.983 4.093 -1.926 281 HB1 ALA 34 HB1 ALA 34 7.151 1.973 -3.063 282 HB2 ALA 34 HB2 ALA 34 6.881 3.250 -4.248 283 HB3 ALA 34 HB3 ALA 34 8.493 2.565 -4.042 284 H LYS 35 H LYS 35 10.403 3.847 -2.796 285 HA LYS 35 HA LYS 35 11.235 1.930 -0.985 286 HB2 LYS 35 HB2 LYS 35 12.649 2.962 -2.757 287 HB3 LYS 35 HB3 LYS 35 12.766 4.415 -1.774 288 HG2 LYS 35 HG2 LYS 35 14.144 3.421 -0.224 289 HG3 LYS 35 HG3 LYS 35 13.585 1.794 -0.613 290 HD2 LYS 35 HD2 LYS 35 14.761 1.891 -2.749 291 HD3 LYS 35 HD3 LYS 35 15.294 3.535 -2.391 292 HE2 LYS 35 HE2 LYS 35 17.142 2.318 -1.762 293 HE3 LYS 35 HE3 LYS 35 16.272 2.431 -0.233 294 HZ1 LYS 35 HZ1 LYS 35 17.169 0.161 -0.975 295 HZ2 LYS 35 HZ2 LYS 35 15.593 0.238 -0.364 296 HZ3 LYS 35 HZ3 LYS 35 15.848 0.134 -2.032 297 H GLN 36 H GLN 36 11.168 5.460 -0.490 298 HA GLN 36 HA GLN 36 11.976 5.405 2.196 299 HB2 GLN 36 HB2 GLN 36 10.361 7.426 0.642 300 HB3 GLN 36 HB3 GLN 36 10.898 7.690 2.296 301 HG2 GLN 36 HG2 GLN 36 13.239 7.365 1.513 302 HG3 GLN 36 HG3 GLN 36 12.622 7.304 -0.138 303 HE21 GLN 36 HE21 GLN 36 14.484 9.186 0.943 304 HE22 GLN 36 HE22 GLN 36 13.766 10.751 0.806 305 H VAL 37 H VAL 37 8.848 4.998 0.691 306 HA VAL 37 HA VAL 37 7.283 5.321 3.040 307 HB VAL 37 HB VAL 37 6.647 3.827 0.492 308 HG11 VAL 37 HG11 VAL 37 4.864 4.704 2.760 309 HG12 VAL 37 HG12 VAL 37 4.287 4.111 1.202 310 HG13 VAL 37 HG13 VAL 37 5.213 3.049 2.261 311 HG21 VAL 37 HG21 VAL 37 6.876 6.607 1.062 312 HG22 VAL 37 HG22 VAL 37 6.396 5.825 -0.444 313 HG23 VAL 37 HG23 VAL 37 5.179 6.232 0.766 314 H VAL 38 H VAL 38 8.329 2.407 1.271 315 HA VAL 38 HA VAL 38 7.275 0.476 2.930 316 HB VAL 38 HB VAL 38 9.965 0.309 1.564 317 HG11 VAL 38 HG11 VAL 38 8.022 -1.890 2.253 318 HG12 VAL 38 HG12 VAL 38 9.641 -2.065 1.576 319 HG13 VAL 38 HG13 VAL 38 9.433 -1.472 3.224 320 HG21 VAL 38 HG21 VAL 38 8.861 0.519 -0.355 321 HG22 VAL 38 HG22 VAL 38 8.033 -0.993 0.025 322 HG23 VAL 38 HG23 VAL 38 7.307 0.549 0.478 323 H LYS 39 H LYS 39 10.370 2.176 3.239 324 HA LYS 39 HA LYS 39 11.300 0.751 5.489 325 HB2 LYS 39 HB2 LYS 39 11.950 3.576 4.631 326 HB3 LYS 39 HB3 LYS 39 12.877 2.614 5.774 327 HG2 LYS 39 HG2 LYS 39 12.550 1.166 3.322 328 HG3 LYS 39 HG3 LYS 39 13.205 2.774 2.998 329 HD2 LYS 39 HD2 LYS 39 14.394 1.328 5.280 330 HD3 LYS 39 HD3 LYS 39 14.716 0.649 3.683 331 HE2 LYS 39 HE2 LYS 39 16.238 2.219 3.299 332 HE3 LYS 39 HE3 LYS 39 15.032 3.478 3.556 333 HZ1 LYS 39 HZ1 LYS 39 17.190 2.736 5.214 334 HZ2 LYS 39 HZ2 LYS 39 16.114 4.030 5.391 335 HZ3 LYS 39 HZ3 LYS 39 15.741 2.522 6.061 336 H GLU 40 H GLU 40 9.380 3.697 5.157 337 HA GLU 40 HA GLU 40 9.372 4.476 7.847 338 HB2 GLU 40 HB2 GLU 40 8.469 5.665 5.687 339 HB3 GLU 40 HB3 GLU 40 6.959 4.876 6.122 340 HG2 GLU 40 HG2 GLU 40 8.179 6.207 8.386 341 HG3 GLU 40 HG3 GLU 40 7.878 7.310 7.045 342 H VAL 41 H VAL 41 7.020 2.502 6.045 343 HA VAL 41 HA VAL 41 5.412 1.934 8.322 344 HB VAL 41 HB VAL 41 4.328 0.242 6.914 345 HG11 VAL 41 HG11 VAL 41 4.250 2.088 4.826 346 HG12 VAL 41 HG12 VAL 41 3.180 2.018 6.225 347 HG13 VAL 41 HG13 VAL 41 4.618 3.038 6.266 348 HG21 VAL 41 HG21 VAL 41 6.241 -0.658 5.756 349 HG22 VAL 41 HG22 VAL 41 5.086 -0.048 4.571 350 HG23 VAL 41 HG23 VAL 41 6.529 0.887 4.956 351 H GLN 42 H GLN 42 8.127 0.331 6.774 352 HA GLN 42 HA GLN 42 7.954 -2.168 8.003 353 HB2 GLN 42 HB2 GLN 42 9.486 -1.798 6.179 354 HB3 GLN 42 HB3 GLN 42 10.372 -0.596 7.106 355 HG2 GLN 42 HG2 GLN 42 11.078 -2.331 8.677 356 HG3 GLN 42 HG3 GLN 42 10.201 -3.534 7.733 357 HE21 GLN 42 HE21 GLN 42 12.656 -4.202 8.028 358 HE22 GLN 42 HE22 GLN 42 13.638 -3.857 6.649 359 H LYS 43 H LYS 43 9.341 0.863 9.144 360 HA LYS 43 HA LYS 43 10.467 -0.281 11.520 361 HB2 LYS 43 HB2 LYS 43 11.295 1.810 10.385 362 HB3 LYS 43 HB3 LYS 43 9.856 2.628 10.980 363 HG2 LYS 43 HG2 LYS 43 11.367 1.213 13.047 364 HG3 LYS 43 HG3 LYS 43 12.250 2.528 12.266 365 HD2 LYS 43 HD2 LYS 43 10.281 4.005 12.708 366 HD3 LYS 43 HD3 LYS 43 9.575 2.690 13.650 367 HE2 LYS 43 HE2 LYS 43 10.633 3.669 15.376 368 HE3 LYS 43 HE3 LYS 43 12.054 2.841 14.741 369 HZ1 LYS 43 HZ1 LYS 43 12.914 4.896 14.729 370 HZ2 LYS 43 HZ2 LYS 43 12.049 5.087 13.288 371 HZ3 LYS 43 HZ3 LYS 43 11.405 5.660 14.743 372 H LYS 44 H LYS 44 7.469 1.341 10.671 373 HA LYS 44 HA LYS 44 6.533 1.686 13.334 374 HB2 LYS 44 HB2 LYS 44 5.685 2.982 11.396 375 HB3 LYS 44 HB3 LYS 44 4.940 1.518 10.769 376 HG2 LYS 44 HG2 LYS 44 3.140 1.847 12.012 377 HG3 LYS 44 HG3 LYS 44 4.118 1.924 13.479 378 HD2 LYS 44 HD2 LYS 44 4.090 4.179 13.530 379 HD3 LYS 44 HD3 LYS 44 4.223 4.321 11.776 380 HE2 LYS 44 HE2 LYS 44 1.725 3.271 12.058 381 HE3 LYS 44 HE3 LYS 44 1.847 4.281 13.499 382 HZ1 LYS 44 HZ1 LYS 44 2.618 5.374 10.876 383 HZ2 LYS 44 HZ2 LYS 44 0.983 5.295 11.303 384 HZ3 LYS 44 HZ3 LYS 44 2.062 6.187 12.253 385 H GLY 45 H GLY 45 6.268 -0.886 10.954 386 HA2 GLY 45 HA2 GLY 45 6.115 -3.151 11.962 387 HA3 GLY 45 HA3 GLY 45 4.839 -2.499 12.978 388 H VAL 46 H VAL 46 5.634 -2.713 9.507 389 HA VAL 46 HA VAL 46 2.826 -2.856 8.823 390 HB VAL 46 HB VAL 46 4.561 -1.659 7.423 391 HG11 VAL 46 HG11 VAL 46 5.929 -4.028 7.591 392 HG12 VAL 46 HG12 VAL 46 5.248 -4.093 5.966 393 HG13 VAL 46 HG13 VAL 46 6.262 -2.732 6.443 394 HG21 VAL 46 HG21 VAL 46 3.134 -3.735 5.801 395 HG22 VAL 46 HG22 VAL 46 2.235 -2.511 6.699 396 HG23 VAL 46 HG23 VAL 46 3.382 -2.024 5.451 397 H GLN 47 H GLN 47 1.950 -4.588 7.490 398 HA GLN 47 HA GLN 47 3.283 -7.179 7.860 399 HB2 GLN 47 HB2 GLN 47 0.736 -6.298 8.994 400 HB3 GLN 47 HB3 GLN 47 0.604 -7.798 8.085 401 HG2 GLN 47 HG2 GLN 47 2.917 -7.885 9.771 402 HG3 GLN 47 HG3 GLN 47 1.497 -7.448 10.717 403 HE21 GLN 47 HE21 GLN 47 1.643 -9.453 11.792 404 HE22 GLN 47 HE22 GLN 47 1.100 -10.912 11.040 405 H LYS 48 H LYS 48 0.780 -5.329 6.188 406 HA LYS 48 HA LYS 48 1.224 -7.020 3.822 407 HB2 LYS 48 HB2 LYS 48 -1.450 -5.959 4.757 408 HB3 LYS 48 HB3 LYS 48 -1.165 -6.858 3.273 409 HG2 LYS 48 HG2 LYS 48 -0.232 -8.205 5.700 410 HG3 LYS 48 HG3 LYS 48 -1.977 -7.946 5.622 411 HD2 LYS 48 HD2 LYS 48 -2.245 -9.431 3.950 412 HD3 LYS 48 HD3 LYS 48 -0.762 -8.931 3.134 413 HE2 LYS 48 HE2 LYS 48 -0.731 -11.277 3.987 414 HE3 LYS 48 HE3 LYS 48 0.575 -10.263 4.598 415 HZ1 LYS 48 HZ1 LYS 48 -1.721 -10.169 6.287 416 HZ2 LYS 48 HZ2 LYS 48 -1.160 -11.754 6.098 417 HZ3 LYS 48 HZ3 LYS 48 -0.119 -10.550 6.674 418 H VAL 49 H VAL 49 0.352 -5.919 1.799 419 HA VAL 49 HA VAL 49 0.328 -3.018 1.896 420 HB VAL 49 HB VAL 49 2.458 -4.512 0.359 421 HG11 VAL 49 HG11 VAL 49 2.971 -1.786 0.230 422 HG12 VAL 49 HG12 VAL 49 2.380 -2.812 -1.076 423 HG13 VAL 49 HG13 VAL 49 1.237 -1.924 -0.066 424 HG21 VAL 49 HG21 VAL 49 3.940 -2.959 1.761 425 HG22 VAL 49 HG22 VAL 49 2.518 -2.744 2.783 426 HG23 VAL 49 HG23 VAL 49 3.214 -4.350 2.567 427 H VAL 50 H VAL 50 -1.332 -2.462 0.663 428 HA VAL 50 HA VAL 50 -1.962 -4.107 -1.697 429 HB VAL 50 HB VAL 50 -3.922 -2.132 -0.635 430 HG11 VAL 50 HG11 VAL 50 -4.462 -4.944 -1.503 431 HG12 VAL 50 HG12 VAL 50 -5.504 -3.525 -1.598 432 HG13 VAL 50 HG13 VAL 50 -4.134 -3.689 -2.697 433 HG21 VAL 50 HG21 VAL 50 -3.324 -4.782 0.677 434 HG22 VAL 50 HG22 VAL 50 -3.189 -3.182 1.406 435 HG23 VAL 50 HG23 VAL 50 -4.773 -3.822 0.969 436 H VAL 51 H VAL 51 -0.912 -3.197 -3.376 437 HA VAL 51 HA VAL 51 -0.924 -0.291 -3.687 438 HB VAL 51 HB VAL 51 0.681 -0.612 -5.471 439 HG11 VAL 51 HG11 VAL 51 2.324 -0.783 -3.980 440 HG12 VAL 51 HG12 VAL 51 1.106 -1.238 -2.789 441 HG13 VAL 51 HG13 VAL 51 1.966 -2.486 -3.691 442 HG21 VAL 51 HG21 VAL 51 -0.349 -3.338 -5.401 443 HG22 VAL 51 HG22 VAL 51 0.450 -2.462 -6.706 444 HG23 VAL 51 HG23 VAL 51 1.412 -3.263 -5.463 445 H VAL 52 H VAL 52 -1.861 0.772 -5.400 446 HA VAL 52 HA VAL 52 -3.626 -0.848 -7.120 447 HB VAL 52 HB VAL 52 -4.251 2.005 -6.453 448 HG11 VAL 52 HG11 VAL 52 -6.608 0.854 -6.654 449 HG12 VAL 52 HG12 VAL 52 -5.693 1.304 -8.093 450 HG13 VAL 52 HG13 VAL 52 -5.690 -0.369 -7.534 451 HG21 VAL 52 HG21 VAL 52 -5.855 0.675 -4.733 452 HG22 VAL 52 HG22 VAL 52 -4.391 -0.305 -4.632 453 HG23 VAL 52 HG23 VAL 52 -4.324 1.422 -4.277 454 H GLY 53 H GLY 53 -3.283 -0.680 -9.238 455 HA2 GLY 53 HA2 GLY 53 -2.526 0.090 -11.264 456 HA3 GLY 53 HA3 GLY 53 -2.706 1.708 -10.603 457 H VAL 54 H VAL 54 -0.656 -0.317 -8.794 458 HA VAL 54 HA VAL 54 1.680 1.121 -9.848 459 HB VAL 54 HB VAL 54 1.566 -0.413 -7.258 460 HG11 VAL 54 HG11 VAL 54 3.455 1.011 -6.655 461 HG12 VAL 54 HG12 VAL 54 3.790 0.103 -8.129 462 HG13 VAL 54 HG13 VAL 54 3.360 1.811 -8.224 463 HG21 VAL 54 HG21 VAL 54 0.605 2.335 -7.900 464 HG22 VAL 54 HG22 VAL 54 -0.075 1.130 -6.807 465 HG23 VAL 54 HG23 VAL 54 1.365 2.035 -6.337 466 H SER 55 H SER 55 3.580 0.041 -10.377 467 HA SER 55 HA SER 55 3.366 -2.390 -11.686 468 HB2 SER 55 HB2 SER 55 6.055 -1.961 -10.661 469 HB3 SER 55 HB3 SER 55 5.472 -1.931 -12.326 470 HG SER 55 HG SER 55 5.177 0.186 -12.207 471 H GLU 56 H GLU 56 3.316 -4.445 -11.057 472 HA GLU 56 HA GLU 56 3.281 -5.138 -8.303 473 HB2 GLU 56 HB2 GLU 56 3.066 -7.461 -9.113 474 HB3 GLU 56 HB3 GLU 56 1.937 -6.369 -9.901 475 HG2 GLU 56 HG2 GLU 56 3.489 -6.242 -11.832 476 HG3 GLU 56 HG3 GLU 56 4.493 -7.462 -11.049 477 H LYS 57 H LYS 57 5.652 -5.536 -10.891 478 HA LYS 57 HA LYS 57 7.482 -7.169 -9.570 479 HB2 LYS 57 HB2 LYS 57 9.177 -6.151 -11.115 480 HB3 LYS 57 HB3 LYS 57 7.738 -6.773 -11.915 481 HG2 LYS 57 HG2 LYS 57 6.844 -4.427 -11.908 482 HG3 LYS 57 HG3 LYS 57 8.437 -3.902 -11.359 483 HD2 LYS 57 HD2 LYS 57 9.376 -5.101 -13.386 484 HD3 LYS 57 HD3 LYS 57 7.712 -5.236 -13.958 485 HE2 LYS 57 HE2 LYS 57 8.217 -2.545 -13.132 486 HE3 LYS 57 HE3 LYS 57 9.485 -3.059 -14.243 487 HZ1 LYS 57 HZ1 LYS 57 7.951 -2.371 -15.737 488 HZ2 LYS 57 HZ2 LYS 57 7.385 -3.954 -15.547 489 HZ3 LYS 57 HZ3 LYS 57 6.632 -2.682 -14.724 490 H VAL 58 H VAL 58 7.314 -3.618 -9.694 491 HA VAL 58 HA VAL 58 9.569 -3.087 -8.127 492 HB VAL 58 HB VAL 58 7.037 -1.452 -8.356 493 HG11 VAL 58 HG11 VAL 58 8.890 0.383 -7.915 494 HG12 VAL 58 HG12 VAL 58 8.061 -0.431 -6.590 495 HG13 VAL 58 HG13 VAL 58 9.673 -0.956 -7.076 496 HG21 VAL 58 HG21 VAL 58 8.110 -1.941 -10.517 497 HG22 VAL 58 HG22 VAL 58 8.200 -0.230 -10.100 498 HG23 VAL 58 HG23 VAL 58 9.619 -1.260 -9.907 499 H VAL 59 H VAL 59 6.146 -3.057 -7.111 500 HA VAL 59 HA VAL 59 6.605 -2.742 -4.380 501 HB VAL 59 HB VAL 59 4.342 -3.653 -4.037 502 HG11 VAL 59 HG11 VAL 59 4.134 -1.434 -4.512 503 HG12 VAL 59 HG12 VAL 59 4.929 -1.582 -6.080 504 HG13 VAL 59 HG13 VAL 59 3.252 -2.096 -5.889 505 HG21 VAL 59 HG21 VAL 59 4.518 -4.332 -6.970 506 HG22 VAL 59 HG22 VAL 59 4.342 -5.461 -5.625 507 HG23 VAL 59 HG23 VAL 59 3.028 -4.353 -6.025 508 H GLN 60 H GLN 60 6.498 -5.650 -6.361 509 HA GLN 60 HA GLN 60 6.462 -7.547 -4.292 510 HB2 GLN 60 HB2 GLN 60 7.250 -7.569 -7.167 511 HB3 GLN 60 HB3 GLN 60 7.743 -8.927 -6.165 512 HG2 GLN 60 HG2 GLN 60 5.492 -9.471 -5.647 513 HG3 GLN 60 HG3 GLN 60 4.901 -7.974 -6.365 514 HE21 GLN 60 HE21 GLN 60 4.380 -10.874 -6.914 515 HE22 GLN 60 HE22 GLN 60 4.637 -11.049 -8.613 516 H LYS 61 H LYS 61 9.129 -5.896 -5.912 517 HA LYS 61 HA LYS 61 11.244 -7.348 -4.787 518 HB2 LYS 61 HB2 LYS 61 10.915 -4.942 -6.333 519 HB3 LYS 61 HB3 LYS 61 12.111 -4.680 -5.071 520 HG2 LYS 61 HG2 LYS 61 13.115 -6.917 -5.899 521 HG3 LYS 61 HG3 LYS 61 12.162 -6.608 -7.352 522 HD2 LYS 61 HD2 LYS 61 13.984 -5.463 -8.016 523 HD3 LYS 61 HD3 LYS 61 13.335 -4.190 -6.979 524 HE2 LYS 61 HE2 LYS 61 15.263 -4.263 -5.867 525 HE3 LYS 61 HE3 LYS 61 14.748 -5.830 -5.245 526 HZ1 LYS 61 HZ1 LYS 61 16.881 -5.242 -6.989 527 HZ2 LYS 61 HZ2 LYS 61 16.458 -6.727 -6.298 528 HZ3 LYS 61 HZ3 LYS 61 15.790 -6.264 -7.782 529 H VAL 62 H VAL 62 10.091 -4.114 -3.802 530 HA VAL 62 HA VAL 62 11.552 -3.875 -1.470 531 HB VAL 62 HB VAL 62 9.709 -2.361 -0.667 532 HG11 VAL 62 HG11 VAL 62 9.981 -0.748 -2.596 533 HG12 VAL 62 HG12 VAL 62 11.472 -1.372 -1.893 534 HG13 VAL 62 HG13 VAL 62 10.876 -2.023 -3.419 535 HG21 VAL 62 HG21 VAL 62 7.779 -3.400 -1.598 536 HG22 VAL 62 HG22 VAL 62 7.950 -1.830 -2.382 537 HG23 VAL 62 HG23 VAL 62 8.435 -3.297 -3.232 538 H LYS 63 H LYS 63 8.389 -5.392 -1.949 539 HA LYS 63 HA LYS 63 7.712 -5.906 0.690 540 HB2 LYS 63 HB2 LYS 63 6.844 -6.763 -1.899 541 HB3 LYS 63 HB3 LYS 63 6.940 -8.167 -0.844 542 HG2 LYS 63 HG2 LYS 63 4.807 -7.507 -0.420 543 HG3 LYS 63 HG3 LYS 63 5.655 -6.579 0.821 544 HD2 LYS 63 HD2 LYS 63 5.199 -5.395 -1.889 545 HD3 LYS 63 HD3 LYS 63 3.897 -5.401 -0.697 546 HE2 LYS 63 HE2 LYS 63 5.257 -4.170 0.862 547 HE3 LYS 63 HE3 LYS 63 6.655 -4.286 -0.205 548 HZ1 LYS 63 HZ1 LYS 63 4.880 -2.232 -0.134 549 HZ2 LYS 63 HZ2 LYS 63 5.963 -2.554 -1.394 550 HZ3 LYS 63 HZ3 LYS 63 4.370 -3.118 -1.482 551 H GLN 64 H GLN 64 9.712 -7.834 -1.513 552 HA GLN 64 HA GLN 64 10.132 -10.028 0.169 553 HB2 GLN 64 HB2 GLN 64 11.081 -9.130 -2.345 554 HB3 GLN 64 HB3 GLN 64 12.492 -9.515 -1.369 555 HG2 GLN 64 HG2 GLN 64 10.179 -11.399 -1.714 556 HG3 GLN 64 HG3 GLN 64 11.579 -11.380 -2.786 557 HE21 GLN 64 HE21 GLN 64 10.898 -13.631 -1.379 558 HE22 GLN 64 HE22 GLN 64 12.090 -13.940 -0.167 559 H GLU 65 H GLU 65 11.947 -7.005 -0.171 560 HA GLU 65 HA GLU 65 13.812 -7.768 1.909 561 HB2 GLU 65 HB2 GLU 65 13.493 -5.114 0.495 562 HB3 GLU 65 HB3 GLU 65 14.850 -5.601 1.502 563 HG2 GLU 65 HG2 GLU 65 14.055 -6.751 -1.160 564 HG3 GLU 65 HG3 GLU 65 15.485 -5.787 -0.793 565 H ALA 66 H ALA 66 10.713 -6.737 1.949 566 HA ALA 66 HA ALA 66 11.046 -5.060 4.340 567 HB1 ALA 66 HB1 ALA 66 8.515 -5.452 2.760 568 HB2 ALA 66 HB2 ALA 66 8.869 -4.201 3.952 569 HB3 ALA 66 HB3 ALA 66 9.700 -4.198 2.396 570 H ASN 67 H ASN 67 10.098 -8.167 3.297 571 HA ASN 67 HA ASN 67 9.420 -10.015 4.444 572 HB2 ASN 67 HB2 ASN 67 10.879 -8.789 6.276 573 HB3 ASN 67 HB3 ASN 67 9.313 -8.532 7.039 574 HD21 ASN 67 HD21 ASN 67 11.734 -10.832 6.170 575 HD22 ASN 67 HD22 ASN 67 11.072 -12.173 7.036 576 H VAL 68 H VAL 68 7.487 -8.719 3.155 577 HA VAL 68 HA VAL 68 5.169 -9.174 4.859 578 HB VAL 68 HB VAL 68 4.128 -7.035 3.819 579 HG11 VAL 68 HG11 VAL 68 6.147 -6.337 5.885 580 HG12 VAL 68 HG12 VAL 68 4.420 -5.986 5.825 581 HG13 VAL 68 HG13 VAL 68 4.976 -7.602 6.261 582 HG21 VAL 68 HG21 VAL 68 6.780 -5.783 3.987 583 HG22 VAL 68 HG22 VAL 68 6.540 -6.833 2.589 584 HG23 VAL 68 HG23 VAL 68 5.447 -5.478 2.873 585 H GLN 69 H GLN 69 3.099 -8.866 3.454 586 HA GLN 69 HA GLN 69 3.566 -10.360 0.984 587 HB2 GLN 69 HB2 GLN 69 1.080 -9.877 2.626 588 HB3 GLN 69 HB3 GLN 69 1.068 -10.710 1.076 589 HG2 GLN 69 HG2 GLN 69 3.038 -12.008 2.522 590 HG3 GLN 69 HG3 GLN 69 1.768 -11.691 3.703 591 HE21 GLN 69 HE21 GLN 69 2.858 -14.010 1.834 592 HE22 GLN 69 HE22 GLN 69 1.392 -14.803 1.378 593 H VAL 70 H VAL 70 2.863 -9.689 -1.014 594 HA VAL 70 HA VAL 70 2.124 -6.847 -1.196 595 HB VAL 70 HB VAL 70 4.213 -7.412 -2.327 596 HG11 VAL 70 HG11 VAL 70 3.038 -8.948 -4.500 597 HG12 VAL 70 HG12 VAL 70 4.518 -9.230 -3.586 598 HG13 VAL 70 HG13 VAL 70 2.970 -9.789 -2.952 599 HG21 VAL 70 HG21 VAL 70 3.622 -5.772 -3.705 600 HG22 VAL 70 HG22 VAL 70 2.928 -6.978 -4.787 601 HG23 VAL 70 HG23 VAL 70 1.920 -6.211 -3.561 602 H TYR 71 H TYR 71 0.169 -6.304 -1.904 603 HA TYR 71 HA TYR 71 -1.372 -8.285 -3.445 604 HB2 TYR 71 HB2 TYR 71 -2.083 -6.849 -0.957 605 HB3 TYR 71 HB3 TYR 71 -3.342 -6.928 -2.185 606 HD1 TYR 71 HD1 TYR 71 -1.245 -8.891 0.104 607 HD2 TYR 71 HD2 TYR 71 -4.402 -9.021 -2.744 608 HE1 TYR 71 HE1 TYR 71 -1.800 -11.172 0.834 609 HE2 TYR 71 HE2 TYR 71 -4.968 -11.303 -2.021 610 HH TYR 71 HH TYR 71 -3.002 -13.241 -0.343 611 H ARG 72 H ARG 72 -2.438 -7.545 -5.203 612 HA ARG 72 HA ARG 72 -2.081 -4.707 -5.861 613 HB2 ARG 72 HB2 ARG 72 -1.710 -7.092 -7.339 614 HB3 ARG 72 HB3 ARG 72 -3.073 -6.250 -8.064 615 HG2 ARG 72 HG2 ARG 72 -1.577 -4.185 -8.068 616 HG3 ARG 72 HG3 ARG 72 -0.249 -5.302 -7.740 617 HD2 ARG 72 HD2 ARG 72 -0.269 -5.060 -10.072 618 HD3 ARG 72 HD3 ARG 72 -1.062 -6.606 -9.770 619 HE ARG 72 HE ARG 72 -3.023 -4.616 -9.883 620 HH11 ARG 72 HH11 ARG 72 -0.729 -6.200 -11.968 621 HH12 ARG 72 HH12 ARG 72 -1.685 -5.987 -13.397 622 HH21 ARG 72 HH21 ARG 72 -4.291 -4.330 -11.758 623 HH22 ARG 72 HH22 ARG 72 -3.709 -4.923 -13.277 624 H VAL 73 H VAL 73 -3.774 -3.387 -6.329 625 HA VAL 73 HA VAL 73 -6.425 -4.378 -5.628 626 HB VAL 73 HB VAL 73 -5.303 -1.610 -6.006 627 HG11 VAL 73 HG11 VAL 73 -7.590 -0.798 -5.376 628 HG12 VAL 73 HG12 VAL 73 -7.471 -1.492 -6.993 629 HG13 VAL 73 HG13 VAL 73 -8.184 -2.430 -5.681 630 HG21 VAL 73 HG21 VAL 73 -4.809 -2.196 -3.854 631 HG22 VAL 73 HG22 VAL 73 -6.434 -1.553 -3.613 632 HG23 VAL 73 HG23 VAL 73 -6.182 -3.295 -3.719 633 H THR 74 H THR 74 -8.164 -4.407 -6.986 634 HA THR 74 HA THR 74 -7.606 -3.848 -9.826 635 HB THR 74 HB THR 74 -7.999 -6.241 -9.330 636 HG1 THR 74 HG1 THR 74 -8.658 -5.292 -11.360 637 HG21 THR 74 HG21 THR 74 -9.749 -7.017 -8.150 638 HG22 THR 74 HG22 THR 74 -9.890 -5.358 -7.565 639 HG23 THR 74 HG23 THR 74 -10.881 -5.904 -8.918 640 H SER 75 H SER 75 -9.780 -3.345 -7.159 641 HA SER 75 HA SER 75 -11.058 -1.171 -8.543 642 HB2 SER 75 HB2 SER 75 -13.345 -2.432 -7.711 643 HB3 SER 75 HB3 SER 75 -12.747 -2.428 -9.369 644 HG SER 75 HG SER 75 -13.225 -4.533 -8.121 645 H ASN 76 H ASN 76 -12.728 -0.111 -7.100 646 HA ASN 76 HA ASN 76 -11.614 0.559 -4.654 647 HB2 ASN 76 HB2 ASN 76 -14.204 1.016 -5.994 648 HB3 ASN 76 HB3 ASN 76 -14.237 1.160 -4.240 649 HD21 ASN 76 HD21 ASN 76 -14.550 3.190 -6.324 650 HD22 ASN 76 HD22 ASN 76 -13.344 4.385 -6.002 651 H ASP 77 H ASP 77 -14.003 -1.903 -5.432 652 HA ASP 77 HA ASP 77 -14.737 -2.556 -2.788 653 HB2 ASP 77 HB2 ASP 77 -15.565 -3.335 -5.286 654 HB3 ASP 77 HB3 ASP 77 -14.757 -4.785 -4.699 655 H GLU 78 H GLU 78 -11.966 -3.332 -4.706 656 HA GLU 78 HA GLU 78 -11.154 -5.607 -3.155 657 HB2 GLU 78 HB2 GLU 78 -10.332 -4.334 -5.574 658 HB3 GLU 78 HB3 GLU 78 -8.933 -4.461 -4.516 659 HG2 GLU 78 HG2 GLU 78 -10.721 -6.726 -5.372 660 HG3 GLU 78 HG3 GLU 78 -9.100 -6.387 -5.978 661 H VAL 79 H VAL 79 -10.576 -2.162 -3.090 662 HA VAL 79 HA VAL 79 -8.338 -2.212 -1.339 663 HB VAL 79 HB VAL 79 -10.331 -0.001 -1.856 664 HG11 VAL 79 HG11 VAL 79 -8.159 1.320 -1.103 665 HG12 VAL 79 HG12 VAL 79 -9.363 0.764 0.060 666 HG13 VAL 79 HG13 VAL 79 -7.881 -0.161 -0.187 667 HG21 VAL 79 HG21 VAL 79 -9.043 0.695 -3.605 668 HG22 VAL 79 HG22 VAL 79 -7.562 0.014 -2.932 669 HG23 VAL 79 HG23 VAL 79 -8.746 -1.040 -3.707 670 H GLU 80 H GLU 80 -11.801 -1.585 -0.791 671 HA GLU 80 HA GLU 80 -11.547 -1.341 2.027 672 HB2 GLU 80 HB2 GLU 80 -13.431 -0.316 0.991 673 HB3 GLU 80 HB3 GLU 80 -13.913 -1.821 0.221 674 HG2 GLU 80 HG2 GLU 80 -13.795 -2.057 3.106 675 HG3 GLU 80 HG3 GLU 80 -14.898 -0.788 2.581 676 H GLN 81 H GLN 81 -12.092 -4.022 -0.145 677 HA GLN 81 HA GLN 81 -12.921 -5.874 1.864 678 HB2 GLN 81 HB2 GLN 81 -13.537 -6.238 -0.453 679 HB3 GLN 81 HB3 GLN 81 -11.844 -6.310 -0.925 680 HG2 GLN 81 HG2 GLN 81 -12.639 -8.531 -0.867 681 HG3 GLN 81 HG3 GLN 81 -11.615 -8.318 0.551 682 HE21 GLN 81 HE21 GLN 81 -12.420 -8.820 2.475 683 HE22 GLN 81 HE22 GLN 81 -14.081 -9.162 2.809 684 H VAL 82 H VAL 82 -9.876 -5.453 0.061 685 HA VAL 82 HA VAL 82 -8.408 -7.423 1.393 686 HB VAL 82 HB VAL 82 -7.504 -4.884 0.039 687 HG11 VAL 82 HG11 VAL 82 -5.792 -5.410 1.616 688 HG12 VAL 82 HG12 VAL 82 -5.856 -7.123 1.198 689 HG13 VAL 82 HG13 VAL 82 -5.239 -5.954 0.031 690 HG21 VAL 82 HG21 VAL 82 -7.282 -6.107 -1.866 691 HG22 VAL 82 HG22 VAL 82 -6.919 -7.599 -0.999 692 HG23 VAL 82 HG23 VAL 82 -8.583 -7.027 -1.112 693 H VAL 83 H VAL 83 -8.602 -3.926 2.031 694 HA VAL 83 HA VAL 83 -6.879 -3.894 4.246 695 HB VAL 83 HB VAL 83 -9.181 -2.058 3.574 696 HG11 VAL 83 HG11 VAL 83 -8.925 -1.225 5.624 697 HG12 VAL 83 HG12 VAL 83 -7.485 -2.200 5.919 698 HG13 VAL 83 HG13 VAL 83 -7.345 -0.648 5.095 699 HG21 VAL 83 HG21 VAL 83 -6.390 -1.161 3.317 700 HG22 VAL 83 HG22 VAL 83 -6.890 -2.412 2.180 701 HG23 VAL 83 HG23 VAL 83 -7.773 -0.887 2.259 702 H LYS 84 H LYS 84 -10.407 -4.229 4.050 703 HA LYS 84 HA LYS 84 -11.115 -4.161 6.689 704 HB2 LYS 84 HB2 LYS 84 -12.170 -5.496 4.283 705 HB3 LYS 84 HB3 LYS 84 -12.682 -6.212 5.806 706 HG2 LYS 84 HG2 LYS 84 -12.889 -3.313 5.808 707 HG3 LYS 84 HG3 LYS 84 -13.854 -4.073 4.539 708 HD2 LYS 84 HD2 LYS 84 -14.629 -5.669 6.431 709 HD3 LYS 84 HD3 LYS 84 -14.030 -4.408 7.512 710 HE2 LYS 84 HE2 LYS 84 -15.639 -3.281 5.401 711 HE3 LYS 84 HE3 LYS 84 -16.529 -4.533 6.267 712 HZ1 LYS 84 HZ1 LYS 84 -15.751 -3.340 8.354 713 HZ2 LYS 84 HZ2 LYS 84 -15.351 -2.044 7.341 714 HZ3 LYS 84 HZ3 LYS 84 -16.952 -2.580 7.438 715 H ASP 85 H ASP 85 -10.458 -7.221 4.973 716 HA ASP 85 HA ASP 85 -10.070 -8.623 7.451 717 HB2 ASP 85 HB2 ASP 85 -9.757 -10.582 6.106 718 HB3 ASP 85 HB3 ASP 85 -11.063 -9.649 5.381 719 H VAL 86 H VAL 86 -8.144 -6.571 5.731 720 HA VAL 86 HA VAL 86 -5.921 -6.081 5.737 721 HB VAL 86 HB VAL 86 -5.581 -7.977 8.046 722 HG11 VAL 86 HG11 VAL 86 -3.795 -6.382 6.766 723 HG12 VAL 86 HG12 VAL 86 -4.346 -5.314 8.057 724 HG13 VAL 86 HG13 VAL 86 -3.656 -6.890 8.448 725 HG21 VAL 86 HG21 VAL 86 -6.177 -5.956 9.474 726 HG22 VAL 86 HG22 VAL 86 -6.913 -5.282 8.020 727 HG23 VAL 86 HG23 VAL 86 -7.514 -6.798 8.690 728 H LYS 87 H LYS 87 -6.833 -8.282 4.121 729 HA LYS 87 HA LYS 87 -4.390 -9.302 3.229 730 HB2 LYS 87 HB2 LYS 87 -5.095 -10.619 5.506 731 HB3 LYS 87 HB3 LYS 87 -5.843 -11.640 4.285 732 HG2 LYS 87 HG2 LYS 87 -3.242 -11.060 3.375 733 HG3 LYS 87 HG3 LYS 87 -3.110 -11.494 5.080 734 HD2 LYS 87 HD2 LYS 87 -4.890 -13.201 3.469 735 HD3 LYS 87 HD3 LYS 87 -3.176 -13.287 3.056 736 HE2 LYS 87 HE2 LYS 87 -2.707 -13.665 5.490 737 HE3 LYS 87 HE3 LYS 87 -4.447 -13.793 5.741 738 HZ1 LYS 87 HZ1 LYS 87 -3.863 -15.487 3.647 739 HZ2 LYS 87 HZ2 LYS 87 -2.633 -15.749 4.779 740 HZ3 LYS 87 HZ3 LYS 87 -4.255 -15.927 5.233 741 H GLY 88 H GLY 88 -5.061 -11.656 2.030 742 HA2 GLY 88 HA2 GLY 88 -7.133 -10.761 0.166 743 HA3 GLY 88 HA3 GLY 88 -5.940 -12.016 -0.137 744 H SER 89 H SER 89 -9.036 -11.753 -0.135 745 HA SER 89 HA SER 89 -9.478 -14.446 0.847 746 HB2 SER 89 HB2 SER 89 -10.571 -12.023 2.176 747 HB3 SER 89 HB3 SER 89 -11.683 -13.373 1.952 748 HG SER 89 HG SER 89 -10.415 -14.641 3.200 749 H GLY 90 H GLY 90 -10.584 -15.479 -0.669 750 HA2 GLY 90 HA2 GLY 90 -12.674 -15.702 -1.892 751 HA3 GLY 90 HA3 GLY 90 -12.611 -13.972 -2.198 752 H LEU 91 H LEU 91 -12.377 -16.793 -3.710 753 HA LEU 91 HA LEU 91 -10.808 -15.661 -5.873 754 HB2 LEU 91 HB2 LEU 91 -9.765 -17.661 -4.086 755 HB3 LEU 91 HB3 LEU 91 -9.891 -18.305 -5.722 756 HG LEU 91 HG LEU 91 -8.526 -15.686 -5.201 757 HD11 LEU 91 HD11 LEU 91 -7.008 -18.257 -5.307 758 HD12 LEU 91 HD12 LEU 91 -6.505 -16.682 -4.694 759 HD13 LEU 91 HD13 LEU 91 -7.645 -17.664 -3.774 760 HD21 LEU 91 HD21 LEU 91 -8.706 -17.672 -7.406 761 HD22 LEU 91 HD22 LEU 91 -8.718 -15.910 -7.465 762 HD23 LEU 91 HD23 LEU 91 -7.202 -16.773 -7.211 763 H GLU 92 H GLU 92 -12.177 -15.830 -7.517 764 HA GLU 92 HA GLU 92 -13.285 -18.442 -8.172 765 HB2 GLU 92 HB2 GLU 92 -14.959 -17.118 -6.762 766 HB3 GLU 92 HB3 GLU 92 -15.094 -16.034 -8.139 767 HG2 GLU 92 HG2 GLU 92 -15.884 -17.836 -9.533 768 HG3 GLU 92 HG3 GLU 92 -15.647 -18.991 -8.222 769 H HIS 93 H HIS 93 -12.454 -18.736 -10.136 770 HA HIS 93 HA HIS 93 -11.860 -16.591 -11.923 771 HB2 HIS 93 HB2 HIS 93 -11.086 -19.254 -11.679 772 HB3 HIS 93 HB3 HIS 93 -11.998 -19.209 -13.184 773 HD1 HIS 93 HD1 HIS 93 -9.102 -17.371 -11.546 774 HD2 HIS 93 HD2 HIS 93 -10.556 -18.347 -15.313 775 HE1 HIS 93 HE1 HIS 93 -7.349 -16.586 -13.168 776 H HIS 94 H HIS 94 -12.927 -15.902 -13.726 777 HA HIS 94 HA HIS 94 -15.282 -17.281 -14.680 778 HB2 HIS 94 HB2 HIS 94 -16.675 -15.156 -14.436 779 HB3 HIS 94 HB3 HIS 94 -16.387 -16.082 -12.967 780 HD1 HIS 94 HD1 HIS 94 -14.331 -13.368 -14.679 781 HD2 HIS 94 HD2 HIS 94 -16.017 -14.282 -10.994 782 HE1 HIS 94 HE1 HIS 94 -13.642 -11.500 -13.142 783 H HIS 95 H HIS 95 -12.780 -16.662 -15.848 784 HA HIS 95 HA HIS 95 -13.035 -14.356 -17.531 785 HB2 HIS 95 HB2 HIS 95 -10.962 -16.087 -16.800 786 HB3 HIS 95 HB3 HIS 95 -11.178 -16.345 -18.529 787 HD1 HIS 95 HD1 HIS 95 -10.566 -13.502 -16.092 788 HD2 HIS 95 HD2 HIS 95 -10.025 -14.447 -20.102 789 HE1 HIS 95 HE1 HIS 95 -9.236 -11.599 -17.057 790 H HIS 96 H HIS 96 -13.465 -14.283 -19.738 791 HA HIS 96 HA HIS 96 -14.630 -16.720 -20.908 792 HB2 HIS 96 HB2 HIS 96 -15.733 -13.909 -21.073 793 HB3 HIS 96 HB3 HIS 96 -16.336 -15.275 -22.007 794 HD1 HIS 96 HD1 HIS 96 -17.611 -13.455 -19.503 795 HD2 HIS 96 HD2 HIS 96 -16.607 -17.484 -19.631 796 HE1 HIS 96 HE1 HIS 96 -18.982 -14.547 -17.699 797 H HIS 97 H HIS 97 -13.378 -17.300 -22.551 798 HA HIS 97 HA HIS 97 -12.865 -15.494 -24.715 799 HB2 HIS 97 HB2 HIS 97 -10.887 -15.715 -22.674 800 HB3 HIS 97 HB3 HIS 97 -10.268 -16.508 -24.120 801 HD1 HIS 97 HD1 HIS 97 -10.052 -15.000 -26.279 802 HD2 HIS 97 HD2 HIS 97 -10.947 -12.962 -22.770 803 HE1 HIS 97 HE1 HIS 97 -9.589 -12.577 -26.771 804 H HIS 98 H HIS 98 -11.915 -16.563 -26.569 805 HA HIS 98 HA HIS 98 -12.795 -19.282 -26.785 806 HB2 HIS 98 HB2 HIS 98 -12.632 -17.278 -28.570 807 HB3 HIS 98 HB3 HIS 98 -11.118 -18.103 -28.930 808 HD1 HIS 98 HD1 HIS 98 -14.761 -19.128 -28.462 809 HD2 HIS 98 HD2 HIS 98 -11.449 -20.001 -30.813 810 HE1 HIS 98 HE1 HIS 98 -15.545 -20.854 -30.114 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -3.868 -7.397 13.795 2 HA2 GLY 1 HA2 GLY 1 -2.232 -8.025 11.493 3 HA3 GLY 1 HA3 GLY 1 -3.978 -7.830 11.513 4 H ARG 2 H ARG 2 -0.955 -6.340 10.890 5 HA ARG 2 HA ARG 2 -2.124 -3.682 10.632 6 HB2 ARG 2 HB2 ARG 2 0.565 -4.773 10.935 7 HB3 ARG 2 HB3 ARG 2 0.474 -3.540 9.685 8 HG2 ARG 2 HG2 ARG 2 0.783 -2.107 11.368 9 HG3 ARG 2 HG3 ARG 2 -0.929 -2.373 11.703 10 HD2 ARG 2 HD2 ARG 2 1.067 -4.254 12.863 11 HD3 ARG 2 HD3 ARG 2 0.900 -2.653 13.581 12 HE ARG 2 HE ARG 2 -0.902 -4.833 13.850 13 HH11 ARG 2 HH11 ARG 2 -0.760 -1.362 13.619 14 HH12 ARG 2 HH12 ARG 2 -2.233 -1.113 14.499 15 HH21 ARG 2 HH21 ARG 2 -2.842 -4.519 15.008 16 HH22 ARG 2 HH22 ARG 2 -3.415 -2.909 15.289 17 H VAL 3 H VAL 3 -2.126 -2.504 8.682 18 HA VAL 3 HA VAL 3 -1.468 -3.878 6.209 19 HB VAL 3 HB VAL 3 -3.667 -3.600 5.209 20 HG11 VAL 3 HG11 VAL 3 -4.867 -5.341 6.423 21 HG12 VAL 3 HG12 VAL 3 -3.147 -5.718 6.320 22 HG13 VAL 3 HG13 VAL 3 -3.824 -5.095 7.825 23 HG21 VAL 3 HG21 VAL 3 -4.322 -2.373 7.859 24 HG22 VAL 3 HG22 VAL 3 -4.667 -1.777 6.235 25 HG23 VAL 3 HG23 VAL 3 -5.585 -3.133 6.890 26 H VAL 4 H VAL 4 -1.264 -2.495 4.429 27 HA VAL 4 HA VAL 4 -1.620 0.376 4.952 28 HB VAL 4 HB VAL 4 0.856 -0.862 3.740 29 HG11 VAL 4 HG11 VAL 4 0.774 1.123 2.622 30 HG12 VAL 4 HG12 VAL 4 -0.171 1.920 3.880 31 HG13 VAL 4 HG13 VAL 4 1.560 1.667 4.104 32 HG21 VAL 4 HG21 VAL 4 0.627 0.717 6.293 33 HG22 VAL 4 HG22 VAL 4 0.589 -1.046 6.237 34 HG23 VAL 4 HG23 VAL 4 2.024 -0.178 5.690 35 H VAL 5 H VAL 5 -2.357 1.549 3.259 36 HA VAL 5 HA VAL 5 -2.852 0.086 0.754 37 HB VAL 5 HB VAL 5 -4.270 2.571 1.721 38 HG11 VAL 5 HG11 VAL 5 -4.618 2.496 -0.559 39 HG12 VAL 5 HG12 VAL 5 -4.589 0.733 -0.613 40 HG13 VAL 5 HG13 VAL 5 -5.995 1.572 0.043 41 HG21 VAL 5 HG21 VAL 5 -6.156 0.996 2.220 42 HG22 VAL 5 HG22 VAL 5 -5.016 -0.333 2.015 43 HG23 VAL 5 HG23 VAL 5 -4.768 0.851 3.297 44 H VAL 6 H VAL 6 -1.964 0.766 -1.095 45 HA VAL 6 HA VAL 6 -0.755 3.451 -1.163 46 HB VAL 6 HB VAL 6 0.435 0.915 -2.296 47 HG11 VAL 6 HG11 VAL 6 1.157 2.435 -3.837 48 HG12 VAL 6 HG12 VAL 6 1.040 3.792 -2.718 49 HG13 VAL 6 HG13 VAL 6 2.395 2.669 -2.604 50 HG21 VAL 6 HG21 VAL 6 0.566 1.845 0.279 51 HG22 VAL 6 HG22 VAL 6 1.750 0.785 -0.487 52 HG23 VAL 6 HG23 VAL 6 2.022 2.527 -0.448 53 H VAL 7 H VAL 7 -0.881 4.566 -3.088 54 HA VAL 7 HA VAL 7 -2.342 3.264 -5.288 55 HB VAL 7 HB VAL 7 -3.577 5.362 -5.685 56 HG11 VAL 7 HG11 VAL 7 -3.871 3.870 -3.115 57 HG12 VAL 7 HG12 VAL 7 -4.938 5.231 -3.463 58 HG13 VAL 7 HG13 VAL 7 -4.892 3.845 -4.552 59 HG21 VAL 7 HG21 VAL 7 -3.617 6.908 -3.575 60 HG22 VAL 7 HG22 VAL 7 -2.007 6.242 -3.304 61 HG23 VAL 7 HG23 VAL 7 -2.364 7.107 -4.800 62 H THR 8 H THR 8 -2.214 4.610 -7.335 63 HA THR 8 HA THR 8 0.563 5.482 -7.673 64 HB THR 8 HB THR 8 -0.432 5.438 -10.202 65 HG1 THR 8 HG1 THR 8 -2.062 4.074 -10.373 66 HG21 THR 8 HG21 THR 8 1.039 3.743 -10.500 67 HG22 THR 8 HG22 THR 8 1.480 4.111 -8.833 68 HG23 THR 8 HG23 THR 8 0.367 2.788 -9.179 69 H SER 9 H SER 9 -2.664 6.669 -7.635 70 HA SER 9 HA SER 9 -1.714 9.276 -8.631 71 HB2 SER 9 HB2 SER 9 -4.464 8.038 -8.890 72 HB3 SER 9 HB3 SER 9 -4.081 9.706 -9.320 73 HG SER 9 HG SER 9 -2.572 7.602 -10.412 74 H GLU 10 H GLU 10 -2.329 11.119 -7.518 75 HA GLU 10 HA GLU 10 -2.660 10.877 -4.739 76 HB2 GLU 10 HB2 GLU 10 -2.831 13.276 -4.697 77 HB3 GLU 10 HB3 GLU 10 -1.626 12.824 -5.893 78 HG2 GLU 10 HG2 GLU 10 -3.662 12.982 -7.539 79 HG3 GLU 10 HG3 GLU 10 -4.323 14.014 -6.272 80 H GLN 11 H GLN 11 -4.958 11.298 -7.345 81 HA GLN 11 HA GLN 11 -7.195 12.133 -5.923 82 HB2 GLN 11 HB2 GLN 11 -6.637 11.108 -8.531 83 HB3 GLN 11 HB3 GLN 11 -8.058 10.286 -7.901 84 HG2 GLN 11 HG2 GLN 11 -8.446 12.973 -7.282 85 HG3 GLN 11 HG3 GLN 11 -7.781 12.965 -8.915 86 HE21 GLN 11 HE21 GLN 11 -9.259 12.916 -10.433 87 HE22 GLN 11 HE22 GLN 11 -10.809 12.158 -10.333 88 H VAL 12 H VAL 12 -6.166 8.808 -6.674 89 HA VAL 12 HA VAL 12 -8.247 7.507 -5.313 90 HB VAL 12 HB VAL 12 -5.451 6.423 -5.643 91 HG11 VAL 12 HG11 VAL 12 -6.852 5.051 -4.249 92 HG12 VAL 12 HG12 VAL 12 -8.159 5.114 -5.431 93 HG13 VAL 12 HG13 VAL 12 -6.662 4.263 -5.814 94 HG21 VAL 12 HG21 VAL 12 -6.674 5.420 -7.772 95 HG22 VAL 12 HG22 VAL 12 -7.586 6.924 -7.644 96 HG23 VAL 12 HG23 VAL 12 -5.833 6.969 -7.824 97 H LYS 13 H LYS 13 -5.107 8.676 -4.224 98 HA LYS 13 HA LYS 13 -5.023 7.451 -1.715 99 HB2 LYS 13 HB2 LYS 13 -3.141 8.682 -2.799 100 HB3 LYS 13 HB3 LYS 13 -3.962 10.191 -2.424 101 HG2 LYS 13 HG2 LYS 13 -3.818 8.759 -0.015 102 HG3 LYS 13 HG3 LYS 13 -2.236 8.609 -0.782 103 HD2 LYS 13 HD2 LYS 13 -2.230 11.085 -1.089 104 HD3 LYS 13 HD3 LYS 13 -3.720 11.157 -0.146 105 HE2 LYS 13 HE2 LYS 13 -2.617 10.293 1.790 106 HE3 LYS 13 HE3 LYS 13 -1.159 9.932 0.866 107 HZ1 LYS 13 HZ1 LYS 13 -0.423 11.992 1.154 108 HZ2 LYS 13 HZ2 LYS 13 -1.887 12.679 0.653 109 HZ3 LYS 13 HZ3 LYS 13 -1.672 12.228 2.270 110 H GLU 14 H GLU 14 -6.283 10.656 -2.620 111 HA GLU 14 HA GLU 14 -7.128 11.452 -0.084 112 HB2 GLU 14 HB2 GLU 14 -7.880 12.191 -2.874 113 HB3 GLU 14 HB3 GLU 14 -8.915 12.740 -1.564 114 HG2 GLU 14 HG2 GLU 14 -7.258 14.067 -0.635 115 HG3 GLU 14 HG3 GLU 14 -5.964 13.196 -1.458 116 H GLU 15 H GLU 15 -8.814 9.592 -2.578 117 HA GLU 15 HA GLU 15 -11.307 9.462 -1.260 118 HB2 GLU 15 HB2 GLU 15 -10.136 7.472 -3.210 119 HB3 GLU 15 HB3 GLU 15 -11.837 7.662 -2.809 120 HG2 GLU 15 HG2 GLU 15 -10.298 9.960 -3.930 121 HG3 GLU 15 HG3 GLU 15 -10.903 8.691 -4.993 122 H VAL 16 H VAL 16 -8.439 7.414 -1.161 123 HA VAL 16 HA VAL 16 -9.610 5.348 0.408 124 HB VAL 16 HB VAL 16 -6.697 6.072 0.059 125 HG11 VAL 16 HG11 VAL 16 -8.063 4.016 1.629 126 HG12 VAL 16 HG12 VAL 16 -6.807 3.389 0.560 127 HG13 VAL 16 HG13 VAL 16 -6.413 4.630 1.750 128 HG21 VAL 16 HG21 VAL 16 -8.525 5.081 -1.805 129 HG22 VAL 16 HG22 VAL 16 -6.766 5.100 -1.941 130 HG23 VAL 16 HG23 VAL 16 -7.585 3.682 -1.286 131 H ARG 17 H ARG 17 -7.411 8.034 1.212 132 HA ARG 17 HA ARG 17 -7.210 7.560 3.946 133 HB2 ARG 17 HB2 ARG 17 -5.818 9.174 2.674 134 HB3 ARG 17 HB3 ARG 17 -7.206 10.248 2.563 135 HG2 ARG 17 HG2 ARG 17 -7.222 10.581 4.931 136 HG3 ARG 17 HG3 ARG 17 -5.983 9.345 5.159 137 HD2 ARG 17 HD2 ARG 17 -4.320 10.754 4.640 138 HD3 ARG 17 HD3 ARG 17 -5.213 11.456 3.291 139 HE ARG 17 HE ARG 17 -6.420 12.443 5.547 140 HH11 ARG 17 HH11 ARG 17 -3.205 12.472 4.214 141 HH12 ARG 17 HH12 ARG 17 -2.786 13.998 4.917 142 HH21 ARG 17 HH21 ARG 17 -5.881 14.454 6.480 143 HH22 ARG 17 HH22 ARG 17 -4.308 15.124 6.207 144 H LYS 18 H LYS 18 -9.739 9.103 2.090 145 HA LYS 18 HA LYS 18 -11.096 10.245 4.331 146 HB2 LYS 18 HB2 LYS 18 -11.425 10.162 1.459 147 HB3 LYS 18 HB3 LYS 18 -12.960 9.884 2.269 148 HG2 LYS 18 HG2 LYS 18 -12.401 11.960 3.651 149 HG3 LYS 18 HG3 LYS 18 -11.164 12.276 2.433 150 HD2 LYS 18 HD2 LYS 18 -12.709 13.194 1.126 151 HD3 LYS 18 HD3 LYS 18 -13.556 11.647 1.061 152 HE2 LYS 18 HE2 LYS 18 -13.947 13.282 3.495 153 HE3 LYS 18 HE3 LYS 18 -14.669 13.893 2.007 154 HZ1 LYS 18 HZ1 LYS 18 -15.145 11.241 3.256 155 HZ2 LYS 18 HZ2 LYS 18 -16.248 12.518 3.130 156 HZ3 LYS 18 HZ3 LYS 18 -15.741 11.698 1.739 157 H LYS 19 H LYS 19 -11.457 7.279 2.440 158 HA LYS 19 HA LYS 19 -13.807 6.374 3.736 159 HB2 LYS 19 HB2 LYS 19 -11.681 4.993 2.112 160 HB3 LYS 19 HB3 LYS 19 -13.020 4.104 2.824 161 HG2 LYS 19 HG2 LYS 19 -13.743 6.488 1.250 162 HG3 LYS 19 HG3 LYS 19 -13.064 5.131 0.349 163 HD2 LYS 19 HD2 LYS 19 -15.400 4.792 0.352 164 HD3 LYS 19 HD3 LYS 19 -14.755 3.672 1.553 165 HE2 LYS 19 HE2 LYS 19 -15.602 4.874 3.324 166 HE3 LYS 19 HE3 LYS 19 -15.633 6.387 2.420 167 HZ1 LYS 19 HZ1 LYS 19 -17.423 5.186 1.031 168 HZ2 LYS 19 HZ2 LYS 19 -17.561 4.162 2.372 169 HZ3 LYS 19 HZ3 LYS 19 -17.848 5.821 2.541 170 H PHE 20 H PHE 20 -10.363 5.773 4.286 171 HA PHE 20 HA PHE 20 -11.044 4.780 6.964 172 HB2 PHE 20 HB2 PHE 20 -8.892 3.530 5.252 173 HB3 PHE 20 HB3 PHE 20 -9.482 2.968 6.813 174 HD1 PHE 20 HD1 PHE 20 -9.547 2.284 3.455 175 HD2 PHE 20 HD2 PHE 20 -12.190 2.651 6.771 176 HE1 PHE 20 HE1 PHE 20 -11.176 0.839 2.311 177 HE2 PHE 20 HE2 PHE 20 -13.824 1.206 5.633 178 HZ PHE 20 HZ PHE 20 -13.319 0.298 3.399 179 HA PRO 21 HA PRO 21 -7.873 8.142 7.144 180 HB2 PRO 21 HB2 PRO 21 -8.990 9.381 9.286 181 HB3 PRO 21 HB3 PRO 21 -9.493 9.700 7.622 182 HG2 PRO 21 HG2 PRO 21 -10.765 7.938 9.681 183 HG3 PRO 21 HG3 PRO 21 -11.530 9.066 8.548 184 HD2 PRO 21 HD2 PRO 21 -11.452 6.395 8.114 185 HD3 PRO 21 HD3 PRO 21 -11.414 7.579 6.791 186 H GLN 22 H GLN 22 -9.281 6.040 9.589 187 HA GLN 22 HA GLN 22 -7.262 6.441 11.549 188 HB2 GLN 22 HB2 GLN 22 -9.702 5.298 11.604 189 HB3 GLN 22 HB3 GLN 22 -8.704 3.854 11.493 190 HG2 GLN 22 HG2 GLN 22 -7.828 5.825 13.483 191 HG3 GLN 22 HG3 GLN 22 -9.388 5.070 13.803 192 HE21 GLN 22 HE21 GLN 22 -8.425 4.084 15.640 193 HE22 GLN 22 HE22 GLN 22 -7.434 2.680 15.468 194 H VAL 23 H VAL 23 -7.535 4.434 8.735 195 HA VAL 23 HA VAL 23 -5.377 2.667 9.500 196 HB VAL 23 HB VAL 23 -7.444 2.279 7.845 197 HG11 VAL 23 HG11 VAL 23 -5.269 2.673 5.840 198 HG12 VAL 23 HG12 VAL 23 -7.015 2.602 5.605 199 HG13 VAL 23 HG13 VAL 23 -6.279 4.040 6.311 200 HG21 VAL 23 HG21 VAL 23 -4.761 1.011 7.326 201 HG22 VAL 23 HG22 VAL 23 -5.764 0.634 8.727 202 HG23 VAL 23 HG23 VAL 23 -6.357 0.295 7.101 203 H GLU 24 H GLU 24 -3.517 2.371 7.953 204 HA GLU 24 HA GLU 24 -2.222 4.926 7.589 205 HB2 GLU 24 HB2 GLU 24 -1.399 2.185 7.928 206 HB3 GLU 24 HB3 GLU 24 -0.592 2.888 6.534 207 HG2 GLU 24 HG2 GLU 24 0.884 3.702 7.974 208 HG3 GLU 24 HG3 GLU 24 -0.364 4.855 8.440 209 H VAL 25 H VAL 25 -1.950 6.000 5.735 210 HA VAL 25 HA VAL 25 -2.468 4.600 3.201 211 HB VAL 25 HB VAL 25 -4.496 5.823 3.707 212 HG11 VAL 25 HG11 VAL 25 -3.329 7.478 5.224 213 HG12 VAL 25 HG12 VAL 25 -2.888 8.364 3.763 214 HG13 VAL 25 HG13 VAL 25 -4.587 8.137 4.178 215 HG21 VAL 25 HG21 VAL 25 -2.986 6.093 1.387 216 HG22 VAL 25 HG22 VAL 25 -4.715 6.391 1.565 217 HG23 VAL 25 HG23 VAL 25 -3.569 7.720 1.734 218 H ARG 26 H ARG 26 -0.852 4.844 1.812 219 HA ARG 26 HA ARG 26 0.665 7.346 1.778 220 HB2 ARG 26 HB2 ARG 26 1.960 4.618 1.930 221 HB3 ARG 26 HB3 ARG 26 2.803 6.146 1.720 222 HG2 ARG 26 HG2 ARG 26 1.093 5.536 4.115 223 HG3 ARG 26 HG3 ARG 26 2.821 5.184 4.042 224 HD2 ARG 26 HD2 ARG 26 3.370 7.477 3.821 225 HD3 ARG 26 HD3 ARG 26 1.692 7.921 3.510 226 HE ARG 26 HE ARG 26 1.954 6.712 6.059 227 HH11 ARG 26 HH11 ARG 26 2.581 9.673 4.339 228 HH12 ARG 26 HH12 ARG 26 2.470 10.670 5.751 229 HH21 ARG 26 HH21 ARG 26 1.806 8.015 7.926 230 HH22 ARG 26 HH22 ARG 26 2.031 9.725 7.792 231 H VAL 27 H VAL 27 0.615 8.073 -0.234 232 HA VAL 27 HA VAL 27 0.189 6.218 -2.444 233 HB VAL 27 HB VAL 27 -1.241 8.147 -2.455 234 HG11 VAL 27 HG11 VAL 27 0.520 10.295 -2.992 235 HG12 VAL 27 HG12 VAL 27 -0.566 10.088 -1.618 236 HG13 VAL 27 HG13 VAL 27 1.092 9.493 -1.529 237 HG21 VAL 27 HG21 VAL 27 -0.806 9.023 -4.660 238 HG22 VAL 27 HG22 VAL 27 0.885 8.531 -4.562 239 HG23 VAL 27 HG23 VAL 27 -0.387 7.311 -4.625 240 H VAL 28 H VAL 28 1.737 5.600 -3.805 241 HA VAL 28 HA VAL 28 4.305 7.048 -3.740 242 HB VAL 28 HB VAL 28 5.445 4.993 -4.246 243 HG11 VAL 28 HG11 VAL 28 5.088 3.773 -2.218 244 HG12 VAL 28 HG12 VAL 28 4.834 5.485 -1.879 245 HG13 VAL 28 HG13 VAL 28 3.450 4.408 -2.065 246 HG21 VAL 28 HG21 VAL 28 2.725 4.061 -4.876 247 HG22 VAL 28 HG22 VAL 28 4.274 3.609 -5.585 248 HG23 VAL 28 HG23 VAL 28 3.759 2.889 -4.060 249 H THR 29 H THR 29 5.412 7.384 -5.677 250 HA THR 29 HA THR 29 3.875 6.863 -8.135 251 HB THR 29 HB THR 29 4.680 9.029 -9.031 252 HG1 THR 29 HG1 THR 29 5.393 10.519 -7.235 253 HG21 THR 29 HG21 THR 29 2.521 9.304 -8.322 254 HG22 THR 29 HG22 THR 29 2.891 8.837 -6.661 255 HG23 THR 29 HG23 THR 29 3.325 10.444 -7.243 256 H THR 30 H THR 30 7.019 7.315 -6.632 257 HA THR 30 HA THR 30 8.265 6.081 -9.004 258 HB THR 30 HB THR 30 10.209 7.410 -7.362 259 HG1 THR 30 HG1 THR 30 9.310 9.294 -7.018 260 HG21 THR 30 HG21 THR 30 11.003 8.163 -9.383 261 HG22 THR 30 HG22 THR 30 10.050 6.779 -9.918 262 HG23 THR 30 HG23 THR 30 9.388 8.409 -10.048 263 H GLU 31 H GLU 31 10.425 5.012 -8.402 264 HA GLU 31 HA GLU 31 9.882 2.959 -6.517 265 HB2 GLU 31 HB2 GLU 31 12.572 3.592 -7.727 266 HB3 GLU 31 HB3 GLU 31 11.996 2.040 -7.134 267 HG2 GLU 31 HG2 GLU 31 10.236 2.165 -8.958 268 HG3 GLU 31 HG3 GLU 31 11.179 3.498 -9.623 269 H GLU 32 H GLU 32 11.838 5.879 -6.451 270 HA GLU 32 HA GLU 32 13.159 5.298 -3.998 271 HB2 GLU 32 HB2 GLU 32 13.268 7.321 -5.969 272 HB3 GLU 32 HB3 GLU 32 12.923 8.124 -4.444 273 HG2 GLU 32 HG2 GLU 32 14.871 6.833 -3.478 274 HG3 GLU 32 HG3 GLU 32 15.275 6.395 -5.137 275 H ASP 33 H ASP 33 10.277 7.163 -4.856 276 HA ASP 33 HA ASP 33 9.729 8.245 -2.338 277 HB2 ASP 33 HB2 ASP 33 8.621 8.719 -4.632 278 HB3 ASP 33 HB3 ASP 33 7.552 7.381 -4.223 279 H ALA 34 H ALA 34 8.540 5.235 -3.817 280 HA ALA 34 HA ALA 34 6.981 4.388 -1.641 281 HB1 ALA 34 HB1 ALA 34 6.626 2.478 -2.825 282 HB2 ALA 34 HB2 ALA 34 7.242 3.496 -4.126 283 HB3 ALA 34 HB3 ALA 34 8.311 2.342 -3.328 284 H LYS 35 H LYS 35 10.377 3.813 -2.450 285 HA LYS 35 HA LYS 35 11.031 1.906 -0.566 286 HB2 LYS 35 HB2 LYS 35 12.463 3.900 -2.138 287 HB3 LYS 35 HB3 LYS 35 13.240 3.587 -0.591 288 HG2 LYS 35 HG2 LYS 35 13.323 1.207 -1.099 289 HG3 LYS 35 HG3 LYS 35 12.514 1.502 -2.640 290 HD2 LYS 35 HD2 LYS 35 14.381 2.855 -3.394 291 HD3 LYS 35 HD3 LYS 35 15.177 2.668 -1.829 292 HE2 LYS 35 HE2 LYS 35 15.771 0.495 -2.238 293 HE3 LYS 35 HE3 LYS 35 14.412 0.213 -3.323 294 HZ1 LYS 35 HZ1 LYS 35 15.725 0.625 -5.038 295 HZ2 LYS 35 HZ2 LYS 35 16.084 2.170 -4.447 296 HZ3 LYS 35 HZ3 LYS 35 17.041 0.848 -3.998 297 H GLN 36 H GLN 36 11.132 5.444 -0.171 298 HA GLN 36 HA GLN 36 11.873 5.361 2.563 299 HB2 GLN 36 HB2 GLN 36 10.556 7.553 0.953 300 HB3 GLN 36 HB3 GLN 36 11.202 7.757 2.575 301 HG2 GLN 36 HG2 GLN 36 13.301 6.646 1.166 302 HG3 GLN 36 HG3 GLN 36 12.560 7.759 0.019 303 HE21 GLN 36 HE21 GLN 36 11.803 9.860 1.358 304 HE22 GLN 36 HE22 GLN 36 13.102 10.601 2.222 305 H VAL 37 H VAL 37 8.817 5.255 0.891 306 HA VAL 37 HA VAL 37 7.154 5.896 3.097 307 HB VAL 37 HB VAL 37 6.567 4.345 0.574 308 HG11 VAL 37 HG11 VAL 37 4.978 3.658 2.239 309 HG12 VAL 37 HG12 VAL 37 4.691 5.332 2.718 310 HG13 VAL 37 HG13 VAL 37 4.180 4.770 1.126 311 HG21 VAL 37 HG21 VAL 37 7.133 6.975 0.812 312 HG22 VAL 37 HG22 VAL 37 6.061 6.306 -0.417 313 HG23 VAL 37 HG23 VAL 37 5.387 6.999 1.057 314 H VAL 38 H VAL 38 7.920 2.756 1.584 315 HA VAL 38 HA VAL 38 6.600 1.148 3.447 316 HB VAL 38 HB VAL 38 7.389 0.281 1.303 317 HG11 VAL 38 HG11 VAL 38 9.509 1.496 1.186 318 HG12 VAL 38 HG12 VAL 38 10.153 0.500 2.491 319 HG13 VAL 38 HG13 VAL 38 9.747 -0.234 0.940 320 HG21 VAL 38 HG21 VAL 38 7.580 -1.824 2.080 321 HG22 VAL 38 HG22 VAL 38 8.937 -1.425 3.134 322 HG23 VAL 38 HG23 VAL 38 7.288 -1.065 3.646 323 H LYS 39 H LYS 39 9.828 2.535 3.484 324 HA LYS 39 HA LYS 39 10.831 1.050 5.673 325 HB2 LYS 39 HB2 LYS 39 12.050 2.583 3.932 326 HB3 LYS 39 HB3 LYS 39 11.725 3.853 5.103 327 HG2 LYS 39 HG2 LYS 39 12.800 2.159 6.785 328 HG3 LYS 39 HG3 LYS 39 13.518 1.487 5.319 329 HD2 LYS 39 HD2 LYS 39 15.076 3.062 6.149 330 HD3 LYS 39 HD3 LYS 39 14.283 3.840 4.777 331 HE2 LYS 39 HE2 LYS 39 12.700 4.493 6.966 332 HE3 LYS 39 HE3 LYS 39 14.354 4.619 7.565 333 HZ1 LYS 39 HZ1 LYS 39 14.124 6.679 6.689 334 HZ2 LYS 39 HZ2 LYS 39 14.634 5.890 5.282 335 HZ3 LYS 39 HZ3 LYS 39 12.989 6.203 5.529 336 H GLU 40 H GLU 40 9.121 4.134 5.440 337 HA GLU 40 HA GLU 40 9.373 4.901 8.133 338 HB2 GLU 40 HB2 GLU 40 8.393 6.113 5.949 339 HB3 GLU 40 HB3 GLU 40 6.879 5.608 6.685 340 HG2 GLU 40 HG2 GLU 40 7.476 6.780 8.737 341 HG3 GLU 40 HG3 GLU 40 9.003 7.278 8.011 342 H VAL 41 H VAL 41 6.708 3.229 6.460 343 HA VAL 41 HA VAL 41 5.157 2.819 8.791 344 HB VAL 41 HB VAL 41 5.076 1.128 6.295 345 HG11 VAL 41 HG11 VAL 41 2.548 1.751 7.520 346 HG12 VAL 41 HG12 VAL 41 3.274 0.179 7.184 347 HG13 VAL 41 HG13 VAL 41 3.641 1.017 8.693 348 HG21 VAL 41 HG21 VAL 41 4.371 3.942 6.711 349 HG22 VAL 41 HG22 VAL 41 4.671 3.054 5.216 350 HG23 VAL 41 HG23 VAL 41 3.089 2.967 5.990 351 H GLN 42 H GLN 42 7.498 0.793 7.073 352 HA GLN 42 HA GLN 42 7.177 -1.586 8.443 353 HB2 GLN 42 HB2 GLN 42 8.626 -1.367 6.491 354 HB3 GLN 42 HB3 GLN 42 9.739 -0.361 7.408 355 HG2 GLN 42 HG2 GLN 42 9.243 -2.907 8.701 356 HG3 GLN 42 HG3 GLN 42 9.885 -3.093 7.070 357 HE21 GLN 42 HE21 GLN 42 10.911 -3.298 9.990 358 HE22 GLN 42 HE22 GLN 42 12.446 -2.510 9.910 359 H LYS 43 H LYS 43 9.045 1.270 9.353 360 HA LYS 43 HA LYS 43 10.238 0.130 11.660 361 HB2 LYS 43 HB2 LYS 43 11.026 2.192 10.450 362 HB3 LYS 43 HB3 LYS 43 9.669 3.055 11.163 363 HG2 LYS 43 HG2 LYS 43 10.772 1.973 13.375 364 HG3 LYS 43 HG3 LYS 43 12.206 2.188 12.366 365 HD2 LYS 43 HD2 LYS 43 10.756 4.549 12.066 366 HD3 LYS 43 HD3 LYS 43 10.632 4.157 13.783 367 HE2 LYS 43 HE2 LYS 43 12.592 5.325 13.800 368 HE3 LYS 43 HE3 LYS 43 13.220 3.706 13.501 369 HZ1 LYS 43 HZ1 LYS 43 12.546 5.523 11.272 370 HZ2 LYS 43 HZ2 LYS 43 14.054 5.596 12.035 371 HZ3 LYS 43 HZ3 LYS 43 13.564 4.171 11.263 372 H LYS 44 H LYS 44 7.252 1.912 11.094 373 HA LYS 44 HA LYS 44 6.560 2.275 13.817 374 HB2 LYS 44 HB2 LYS 44 5.412 2.844 11.250 375 HB3 LYS 44 HB3 LYS 44 4.191 2.100 12.274 376 HG2 LYS 44 HG2 LYS 44 5.053 3.840 14.034 377 HG3 LYS 44 HG3 LYS 44 5.614 4.693 12.594 378 HD2 LYS 44 HD2 LYS 44 3.339 4.625 11.678 379 HD3 LYS 44 HD3 LYS 44 2.785 3.784 13.128 380 HE2 LYS 44 HE2 LYS 44 3.352 5.693 14.496 381 HE3 LYS 44 HE3 LYS 44 4.048 6.523 13.104 382 HZ1 LYS 44 HZ1 LYS 44 1.364 6.473 13.968 383 HZ2 LYS 44 HZ2 LYS 44 2.057 7.374 12.715 384 HZ3 LYS 44 HZ3 LYS 44 1.455 5.822 12.410 385 H GLY 45 H GLY 45 6.130 -0.354 11.554 386 HA2 GLY 45 HA2 GLY 45 5.986 -2.578 12.654 387 HA3 GLY 45 HA3 GLY 45 4.747 -1.871 13.682 388 H VAL 46 H VAL 46 5.462 -2.349 10.223 389 HA VAL 46 HA VAL 46 2.609 -2.504 9.651 390 HB VAL 46 HB VAL 46 4.236 -1.247 8.172 391 HG11 VAL 46 HG11 VAL 46 5.798 -3.400 8.303 392 HG12 VAL 46 HG12 VAL 46 4.914 -3.799 6.830 393 HG13 VAL 46 HG13 VAL 46 5.826 -2.293 6.931 394 HG21 VAL 46 HG21 VAL 46 2.667 -3.411 6.781 395 HG22 VAL 46 HG22 VAL 46 1.942 -1.975 7.505 396 HG23 VAL 46 HG23 VAL 46 3.072 -1.811 6.160 397 H GLN 47 H GLN 47 1.722 -4.279 8.405 398 HA GLN 47 HA GLN 47 3.166 -6.817 8.767 399 HB2 GLN 47 HB2 GLN 47 1.534 -6.783 10.509 400 HB3 GLN 47 HB3 GLN 47 0.283 -6.211 9.413 401 HG2 GLN 47 HG2 GLN 47 1.591 -8.830 8.873 402 HG3 GLN 47 HG3 GLN 47 0.384 -8.715 10.154 403 HE21 GLN 47 HE21 GLN 47 -1.733 -7.927 9.572 404 HE22 GLN 47 HE22 GLN 47 -2.338 -8.204 7.978 405 H LYS 48 H LYS 48 0.720 -5.008 6.994 406 HA LYS 48 HA LYS 48 1.093 -6.862 4.735 407 HB2 LYS 48 HB2 LYS 48 -1.251 -6.559 6.068 408 HB3 LYS 48 HB3 LYS 48 -1.424 -5.317 4.834 409 HG2 LYS 48 HG2 LYS 48 -1.365 -6.858 3.097 410 HG3 LYS 48 HG3 LYS 48 -0.623 -8.106 4.101 411 HD2 LYS 48 HD2 LYS 48 -2.839 -7.910 5.472 412 HD3 LYS 48 HD3 LYS 48 -3.470 -7.204 3.982 413 HE2 LYS 48 HE2 LYS 48 -3.953 -9.425 3.652 414 HE3 LYS 48 HE3 LYS 48 -2.372 -9.311 2.880 415 HZ1 LYS 48 HZ1 LYS 48 -3.129 -10.623 5.383 416 HZ2 LYS 48 HZ2 LYS 48 -2.045 -11.125 4.184 417 HZ3 LYS 48 HZ3 LYS 48 -1.586 -9.933 5.295 418 H VAL 49 H VAL 49 0.668 -5.862 2.598 419 HA VAL 49 HA VAL 49 0.959 -2.966 2.482 420 HB VAL 49 HB VAL 49 2.980 -4.815 1.207 421 HG11 VAL 49 HG11 VAL 49 2.475 -1.870 0.966 422 HG12 VAL 49 HG12 VAL 49 4.080 -2.548 0.690 423 HG13 VAL 49 HG13 VAL 49 2.721 -3.064 -0.309 424 HG21 VAL 49 HG21 VAL 49 4.593 -3.629 2.671 425 HG22 VAL 49 HG22 VAL 49 3.234 -2.834 3.466 426 HG23 VAL 49 HG23 VAL 49 3.412 -4.585 3.565 427 H VAL 50 H VAL 50 -0.598 -2.373 1.131 428 HA VAL 50 HA VAL 50 -1.094 -4.028 -1.259 429 HB VAL 50 HB VAL 50 -3.066 -2.178 0.084 430 HG11 VAL 50 HG11 VAL 50 -4.705 -3.358 -1.336 431 HG12 VAL 50 HG12 VAL 50 -3.501 -2.477 -2.276 432 HG13 VAL 50 HG13 VAL 50 -3.379 -4.228 -2.106 433 HG21 VAL 50 HG21 VAL 50 -2.405 -5.028 0.544 434 HG22 VAL 50 HG22 VAL 50 -3.039 -3.816 1.656 435 HG23 VAL 50 HG23 VAL 50 -4.115 -4.599 0.499 436 H VAL 51 H VAL 51 -1.263 -3.043 -3.244 437 HA VAL 51 HA VAL 51 -0.847 -0.134 -3.352 438 HB VAL 51 HB VAL 51 0.730 -0.427 -5.230 439 HG11 VAL 51 HG11 VAL 51 2.231 -0.139 -3.618 440 HG12 VAL 51 HG12 VAL 51 1.216 -0.999 -2.460 441 HG13 VAL 51 HG13 VAL 51 2.352 -1.892 -3.471 442 HG21 VAL 51 HG21 VAL 51 0.964 -3.321 -4.484 443 HG22 VAL 51 HG22 VAL 51 -0.178 -2.787 -5.718 444 HG23 VAL 51 HG23 VAL 51 1.549 -2.495 -5.927 445 H VAL 52 H VAL 52 -1.685 0.908 -5.174 446 HA VAL 52 HA VAL 52 -3.466 -0.743 -6.847 447 HB VAL 52 HB VAL 52 -4.010 2.124 -6.087 448 HG11 VAL 52 HG11 VAL 52 -5.750 -0.044 -7.258 449 HG12 VAL 52 HG12 VAL 52 -6.288 1.579 -6.826 450 HG13 VAL 52 HG13 VAL 52 -5.105 1.356 -8.116 451 HG21 VAL 52 HG21 VAL 52 -5.831 0.363 -4.816 452 HG22 VAL 52 HG22 VAL 52 -4.197 -0.178 -4.426 453 HG23 VAL 52 HG23 VAL 52 -4.687 1.480 -4.073 454 H GLY 53 H GLY 53 -3.279 -0.530 -8.998 455 HA2 GLY 53 HA2 GLY 53 -2.621 0.273 -11.051 456 HA3 GLY 53 HA3 GLY 53 -2.435 1.850 -10.299 457 H VAL 54 H VAL 54 -0.666 -0.507 -8.673 458 HA VAL 54 HA VAL 54 1.813 0.529 -9.823 459 HB VAL 54 HB VAL 54 1.325 -1.116 -7.337 460 HG11 VAL 54 HG11 VAL 54 3.724 -0.570 -6.843 461 HG12 VAL 54 HG12 VAL 54 3.476 -1.716 -8.160 462 HG13 VAL 54 HG13 VAL 54 3.877 -0.036 -8.516 463 HG21 VAL 54 HG21 VAL 54 2.093 1.777 -7.716 464 HG22 VAL 54 HG22 VAL 54 0.543 1.171 -7.131 465 HG23 VAL 54 HG23 VAL 54 2.001 0.943 -6.165 466 H SER 55 H SER 55 3.362 -0.732 -10.776 467 HA SER 55 HA SER 55 2.513 -3.090 -12.086 468 HB2 SER 55 HB2 SER 55 5.420 -2.725 -11.903 469 HB3 SER 55 HB3 SER 55 4.382 -2.813 -13.325 470 HG SER 55 HG SER 55 4.186 -0.697 -13.333 471 H GLU 56 H GLU 56 3.068 -5.235 -11.780 472 HA GLU 56 HA GLU 56 3.419 -6.067 -9.088 473 HB2 GLU 56 HB2 GLU 56 3.440 -8.345 -10.009 474 HB3 GLU 56 HB3 GLU 56 2.115 -7.392 -10.662 475 HG2 GLU 56 HG2 GLU 56 3.849 -6.911 -12.581 476 HG3 GLU 56 HG3 GLU 56 4.555 -8.420 -12.004 477 H LYS 57 H LYS 57 5.551 -5.879 -11.884 478 HA LYS 57 HA LYS 57 7.730 -7.306 -10.864 479 HB2 LYS 57 HB2 LYS 57 9.059 -6.200 -12.547 480 HB3 LYS 57 HB3 LYS 57 7.481 -6.576 -13.227 481 HG2 LYS 57 HG2 LYS 57 6.988 -4.096 -12.368 482 HG3 LYS 57 HG3 LYS 57 8.726 -3.962 -12.646 483 HD2 LYS 57 HD2 LYS 57 7.018 -5.218 -14.743 484 HD3 LYS 57 HD3 LYS 57 7.006 -3.462 -14.571 485 HE2 LYS 57 HE2 LYS 57 9.481 -3.483 -14.766 486 HE3 LYS 57 HE3 LYS 57 9.407 -5.217 -15.072 487 HZ1 LYS 57 HZ1 LYS 57 9.326 -4.550 -17.200 488 HZ2 LYS 57 HZ2 LYS 57 7.682 -4.302 -16.888 489 HZ3 LYS 57 HZ3 LYS 57 8.760 -3.000 -16.824 490 H VAL 58 H VAL 58 6.683 -4.005 -10.342 491 HA VAL 58 HA VAL 58 9.086 -3.125 -9.077 492 HB VAL 58 HB VAL 58 6.297 -1.974 -8.903 493 HG11 VAL 58 HG11 VAL 58 7.095 -0.508 -7.441 494 HG12 VAL 58 HG12 VAL 58 8.643 -1.352 -7.444 495 HG13 VAL 58 HG13 VAL 58 8.354 -0.035 -8.580 496 HG21 VAL 58 HG21 VAL 58 6.946 -0.475 -10.653 497 HG22 VAL 58 HG22 VAL 58 8.597 -1.096 -10.643 498 HG23 VAL 58 HG23 VAL 58 7.273 -2.120 -11.198 499 H VAL 59 H VAL 59 5.844 -3.868 -7.778 500 HA VAL 59 HA VAL 59 6.570 -3.707 -5.070 501 HB VAL 59 HB VAL 59 4.506 -5.015 -4.626 502 HG11 VAL 59 HG11 VAL 59 3.352 -3.122 -4.839 503 HG12 VAL 59 HG12 VAL 59 4.758 -2.461 -5.673 504 HG13 VAL 59 HG13 VAL 59 3.440 -3.182 -6.599 505 HG21 VAL 59 HG21 VAL 59 3.064 -5.434 -6.702 506 HG22 VAL 59 HG22 VAL 59 4.572 -5.330 -7.610 507 HG23 VAL 59 HG23 VAL 59 4.373 -6.568 -6.371 508 H GLN 60 H GLN 60 6.594 -6.394 -7.350 509 HA GLN 60 HA GLN 60 7.013 -8.500 -5.580 510 HB2 GLN 60 HB2 GLN 60 7.716 -8.029 -8.449 511 HB3 GLN 60 HB3 GLN 60 8.346 -9.455 -7.635 512 HG2 GLN 60 HG2 GLN 60 5.434 -8.867 -7.463 513 HG3 GLN 60 HG3 GLN 60 6.089 -9.537 -8.956 514 HE21 GLN 60 HE21 GLN 60 5.567 -11.605 -8.995 515 HE22 GLN 60 HE22 GLN 60 5.788 -12.731 -7.703 516 H LYS 61 H LYS 61 9.432 -6.527 -7.292 517 HA LYS 61 HA LYS 61 11.719 -7.722 -6.260 518 HB2 LYS 61 HB2 LYS 61 11.089 -5.406 -7.786 519 HB3 LYS 61 HB3 LYS 61 12.175 -4.911 -6.495 520 HG2 LYS 61 HG2 LYS 61 13.930 -6.029 -7.356 521 HG3 LYS 61 HG3 LYS 61 12.933 -7.364 -7.939 522 HD2 LYS 61 HD2 LYS 61 12.581 -6.395 -9.956 523 HD3 LYS 61 HD3 LYS 61 12.539 -4.765 -9.283 524 HE2 LYS 61 HE2 LYS 61 14.498 -4.715 -10.496 525 HE3 LYS 61 HE3 LYS 61 15.085 -5.159 -8.895 526 HZ1 LYS 61 HZ1 LYS 61 15.226 -7.432 -9.553 527 HZ2 LYS 61 HZ2 LYS 61 14.475 -7.120 -11.037 528 HZ3 LYS 61 HZ3 LYS 61 16.022 -6.509 -10.727 529 H VAL 62 H VAL 62 10.344 -4.625 -5.137 530 HA VAL 62 HA VAL 62 11.851 -4.341 -2.845 531 HB VAL 62 HB VAL 62 8.971 -3.512 -3.229 532 HG11 VAL 62 HG11 VAL 62 9.132 -3.040 -1.036 533 HG12 VAL 62 HG12 VAL 62 10.894 -3.118 -1.045 534 HG13 VAL 62 HG13 VAL 62 10.074 -1.655 -1.591 535 HG21 VAL 62 HG21 VAL 62 11.565 -2.396 -4.131 536 HG22 VAL 62 HG22 VAL 62 9.981 -2.354 -4.906 537 HG23 VAL 62 HG23 VAL 62 10.341 -1.256 -3.573 538 H LYS 63 H LYS 63 8.770 -6.049 -3.246 539 HA LYS 63 HA LYS 63 8.247 -6.701 -0.609 540 HB2 LYS 63 HB2 LYS 63 6.602 -7.172 -2.269 541 HB3 LYS 63 HB3 LYS 63 7.702 -8.218 -3.159 542 HG2 LYS 63 HG2 LYS 63 7.149 -9.012 -0.377 543 HG3 LYS 63 HG3 LYS 63 5.791 -9.116 -1.499 544 HD2 LYS 63 HD2 LYS 63 6.779 -10.752 -2.756 545 HD3 LYS 63 HD3 LYS 63 8.415 -10.211 -2.374 546 HE2 LYS 63 HE2 LYS 63 7.986 -12.345 -1.319 547 HE3 LYS 63 HE3 LYS 63 8.144 -11.092 -0.090 548 HZ1 LYS 63 HZ1 LYS 63 6.254 -12.717 0.192 549 HZ2 LYS 63 HZ2 LYS 63 5.841 -11.078 0.276 550 HZ3 LYS 63 HZ3 LYS 63 5.513 -11.962 -1.128 551 H GLN 64 H GLN 64 10.317 -8.375 -2.943 552 HA GLN 64 HA GLN 64 10.945 -10.599 -1.352 553 HB2 GLN 64 HB2 GLN 64 11.636 -9.663 -3.892 554 HB3 GLN 64 HB3 GLN 64 13.162 -9.774 -3.025 555 HG2 GLN 64 HG2 GLN 64 12.247 -12.134 -2.349 556 HG3 GLN 64 HG3 GLN 64 11.251 -11.921 -3.789 557 HE21 GLN 64 HE21 GLN 64 14.455 -12.372 -2.556 558 HE22 GLN 64 HE22 GLN 64 15.219 -12.693 -4.071 559 H GLU 65 H GLU 65 12.585 -7.473 -1.726 560 HA GLU 65 HA GLU 65 14.576 -8.149 0.254 561 HB2 GLU 65 HB2 GLU 65 15.386 -5.847 -0.109 562 HB3 GLU 65 HB3 GLU 65 15.217 -6.739 -1.614 563 HG2 GLU 65 HG2 GLU 65 13.362 -5.518 -2.281 564 HG3 GLU 65 HG3 GLU 65 13.019 -4.961 -0.644 565 H ALA 66 H ALA 66 11.419 -7.346 0.482 566 HA ALA 66 HA ALA 66 11.727 -5.651 2.854 567 HB1 ALA 66 HB1 ALA 66 9.417 -6.262 1.047 568 HB2 ALA 66 HB2 ALA 66 9.158 -5.580 2.652 569 HB3 ALA 66 HB3 ALA 66 10.122 -4.701 1.466 570 H ASN 67 H ASN 67 10.654 -8.817 1.822 571 HA ASN 67 HA ASN 67 10.179 -10.717 2.979 572 HB2 ASN 67 HB2 ASN 67 12.179 -9.612 4.400 573 HB3 ASN 67 HB3 ASN 67 10.909 -9.573 5.619 574 HD21 ASN 67 HD21 ASN 67 11.762 -11.112 6.935 575 HD22 ASN 67 HD22 ASN 67 11.903 -12.777 6.493 576 H VAL 68 H VAL 68 8.073 -9.062 2.484 577 HA VAL 68 HA VAL 68 6.357 -9.603 4.793 578 HB VAL 68 HB VAL 68 5.221 -7.424 4.543 579 HG11 VAL 68 HG11 VAL 68 8.167 -7.333 5.173 580 HG12 VAL 68 HG12 VAL 68 7.030 -6.042 5.559 581 HG13 VAL 68 HG13 VAL 68 6.840 -7.632 6.295 582 HG21 VAL 68 HG21 VAL 68 7.447 -6.905 2.583 583 HG22 VAL 68 HG22 VAL 68 5.707 -6.826 2.299 584 HG23 VAL 68 HG23 VAL 68 6.490 -5.620 3.321 585 H GLN 69 H GLN 69 3.985 -9.194 4.154 586 HA GLN 69 HA GLN 69 3.542 -10.583 1.638 587 HB2 GLN 69 HB2 GLN 69 2.357 -10.771 4.112 588 HB3 GLN 69 HB3 GLN 69 1.180 -9.835 3.201 589 HG2 GLN 69 HG2 GLN 69 0.417 -11.871 2.640 590 HG3 GLN 69 HG3 GLN 69 1.683 -11.769 1.419 591 HE21 GLN 69 HE21 GLN 69 0.495 -14.114 2.662 592 HE22 GLN 69 HE22 GLN 69 1.795 -14.982 3.398 593 H VAL 70 H VAL 70 3.101 -9.533 -0.174 594 HA VAL 70 HA VAL 70 1.941 -6.830 0.010 595 HB VAL 70 HB VAL 70 3.648 -8.022 -2.180 596 HG11 VAL 70 HG11 VAL 70 3.584 -5.427 -2.783 597 HG12 VAL 70 HG12 VAL 70 2.409 -6.578 -3.420 598 HG13 VAL 70 HG13 VAL 70 1.993 -5.570 -2.034 599 HG21 VAL 70 HG21 VAL 70 5.153 -6.072 -1.457 600 HG22 VAL 70 HG22 VAL 70 4.184 -6.050 0.017 601 HG23 VAL 70 HG23 VAL 70 5.093 -7.497 -0.418 602 H TYR 71 H TYR 71 0.247 -6.253 -1.345 603 HA TYR 71 HA TYR 71 -0.952 -8.386 -2.968 604 HB2 TYR 71 HB2 TYR 71 -2.202 -6.891 -0.699 605 HB3 TYR 71 HB3 TYR 71 -3.208 -7.371 -2.062 606 HD1 TYR 71 HD1 TYR 71 -0.668 -8.849 0.251 607 HD2 TYR 71 HD2 TYR 71 -4.264 -9.419 -1.952 608 HE1 TYR 71 HE1 TYR 71 -0.898 -11.098 1.220 609 HE2 TYR 71 HE2 TYR 71 -4.503 -11.669 -0.987 610 HH TYR 71 HH TYR 71 -3.189 -12.707 1.610 611 H ARG 72 H ARG 72 -2.135 -7.698 -4.748 612 HA ARG 72 HA ARG 72 -1.801 -4.851 -5.419 613 HB2 ARG 72 HB2 ARG 72 -1.645 -5.456 -7.710 614 HB3 ARG 72 HB3 ARG 72 -0.611 -6.579 -6.835 615 HG2 ARG 72 HG2 ARG 72 -3.100 -7.821 -6.922 616 HG3 ARG 72 HG3 ARG 72 -2.885 -7.104 -8.521 617 HD2 ARG 72 HD2 ARG 72 -1.792 -9.051 -8.903 618 HD3 ARG 72 HD3 ARG 72 -0.450 -8.156 -8.194 619 HE ARG 72 HE ARG 72 -1.907 -9.474 -6.168 620 HH11 ARG 72 HH11 ARG 72 0.302 -10.106 -8.784 621 HH12 ARG 72 HH12 ARG 72 0.964 -11.531 -8.054 622 HH21 ARG 72 HH21 ARG 72 -1.044 -11.349 -5.196 623 HH22 ARG 72 HH22 ARG 72 0.198 -12.238 -6.014 624 H VAL 73 H VAL 73 -3.490 -3.763 -6.513 625 HA VAL 73 HA VAL 73 -6.083 -5.084 -6.679 626 HB VAL 73 HB VAL 73 -6.360 -4.296 -4.501 627 HG11 VAL 73 HG11 VAL 73 -4.840 -1.860 -5.392 628 HG12 VAL 73 HG12 VAL 73 -5.747 -1.912 -3.880 629 HG13 VAL 73 HG13 VAL 73 -4.406 -3.027 -4.143 630 HG21 VAL 73 HG21 VAL 73 -8.009 -3.421 -6.341 631 HG22 VAL 73 HG22 VAL 73 -8.144 -2.852 -4.676 632 HG23 VAL 73 HG23 VAL 73 -7.351 -1.849 -5.890 633 H THR 74 H THR 74 -7.331 -4.315 -8.298 634 HA THR 74 HA THR 74 -6.342 -1.936 -9.733 635 HB THR 74 HB THR 74 -7.674 -3.065 -11.692 636 HG1 THR 74 HG1 THR 74 -8.133 -5.130 -11.424 637 HG21 THR 74 HG21 THR 74 -5.149 -4.512 -11.068 638 HG22 THR 74 HG22 THR 74 -5.666 -3.737 -12.566 639 HG23 THR 74 HG23 THR 74 -5.086 -2.757 -11.220 640 H SER 75 H SER 75 -9.093 -3.541 -8.346 641 HA SER 75 HA SER 75 -10.842 -1.353 -9.251 642 HB2 SER 75 HB2 SER 75 -12.715 -2.912 -8.601 643 HB3 SER 75 HB3 SER 75 -11.723 -3.476 -9.945 644 HG SER 75 HG SER 75 -11.980 -5.175 -8.538 645 H ASN 76 H ASN 76 -12.310 -0.416 -7.736 646 HA ASN 76 HA ASN 76 -11.151 0.217 -5.257 647 HB2 ASN 76 HB2 ASN 76 -14.059 0.538 -6.024 648 HB3 ASN 76 HB3 ASN 76 -13.181 1.446 -4.797 649 HD21 ASN 76 HD21 ASN 76 -14.625 2.430 -7.100 650 HD22 ASN 76 HD22 ASN 76 -13.487 3.315 -8.051 651 H ASP 77 H ASP 77 -13.540 -2.172 -6.192 652 HA ASP 77 HA ASP 77 -14.463 -2.850 -3.620 653 HB2 ASP 77 HB2 ASP 77 -14.490 -4.149 -6.300 654 HB3 ASP 77 HB3 ASP 77 -14.820 -5.165 -4.899 655 H GLU 78 H GLU 78 -11.601 -3.736 -5.397 656 HA GLU 78 HA GLU 78 -10.902 -5.963 -3.741 657 HB2 GLU 78 HB2 GLU 78 -9.675 -4.480 -5.986 658 HB3 GLU 78 HB3 GLU 78 -8.549 -5.252 -4.879 659 HG2 GLU 78 HG2 GLU 78 -10.840 -6.719 -6.147 660 HG3 GLU 78 HG3 GLU 78 -9.249 -6.594 -6.895 661 H VAL 79 H VAL 79 -10.358 -2.528 -3.655 662 HA VAL 79 HA VAL 79 -8.186 -2.551 -1.815 663 HB VAL 79 HB VAL 79 -10.176 -0.357 -2.414 664 HG11 VAL 79 HG11 VAL 79 -9.177 0.138 -0.322 665 HG12 VAL 79 HG12 VAL 79 -7.581 -0.352 -0.890 666 HG13 VAL 79 HG13 VAL 79 -8.332 1.113 -1.523 667 HG21 VAL 79 HG21 VAL 79 -8.378 0.548 -3.834 668 HG22 VAL 79 HG22 VAL 79 -7.419 -0.896 -3.513 669 HG23 VAL 79 HG23 VAL 79 -8.943 -1.027 -4.390 670 H GLU 80 H GLU 80 -11.686 -2.045 -1.439 671 HA GLU 80 HA GLU 80 -11.577 -1.735 1.385 672 HB2 GLU 80 HB2 GLU 80 -13.432 -0.837 0.085 673 HB3 GLU 80 HB3 GLU 80 -13.889 -2.457 -0.423 674 HG2 GLU 80 HG2 GLU 80 -14.780 -2.999 1.616 675 HG3 GLU 80 HG3 GLU 80 -13.773 -1.842 2.485 676 H GLN 81 H GLN 81 -11.902 -4.471 -0.760 677 HA GLN 81 HA GLN 81 -12.843 -6.351 1.122 678 HB2 GLN 81 HB2 GLN 81 -13.007 -6.841 -1.224 679 HB3 GLN 81 HB3 GLN 81 -11.266 -6.691 -1.429 680 HG2 GLN 81 HG2 GLN 81 -11.880 -9.010 -1.451 681 HG3 GLN 81 HG3 GLN 81 -10.951 -8.664 0.006 682 HE21 GLN 81 HE21 GLN 81 -13.486 -10.345 -1.099 683 HE22 GLN 81 HE22 GLN 81 -14.450 -10.436 0.331 684 H VAL 82 H VAL 82 -9.546 -5.751 -0.095 685 HA VAL 82 HA VAL 82 -8.246 -7.575 1.591 686 HB VAL 82 HB VAL 82 -6.191 -6.237 1.145 687 HG11 VAL 82 HG11 VAL 82 -6.463 -7.860 -0.452 688 HG12 VAL 82 HG12 VAL 82 -8.003 -7.207 -1.011 689 HG13 VAL 82 HG13 VAL 82 -6.493 -6.413 -1.458 690 HG21 VAL 82 HG21 VAL 82 -8.177 -4.404 -0.180 691 HG22 VAL 82 HG22 VAL 82 -7.004 -4.013 1.078 692 HG23 VAL 82 HG23 VAL 82 -6.454 -4.386 -0.556 693 H VAL 83 H VAL 83 -8.956 -4.129 2.001 694 HA VAL 83 HA VAL 83 -7.585 -3.824 4.459 695 HB VAL 83 HB VAL 83 -9.882 -2.221 3.323 696 HG11 VAL 83 HG11 VAL 83 -8.610 -0.488 4.912 697 HG12 VAL 83 HG12 VAL 83 -9.960 -1.479 5.463 698 HG13 VAL 83 HG13 VAL 83 -8.304 -1.973 5.813 699 HG21 VAL 83 HG21 VAL 83 -7.176 -1.088 3.380 700 HG22 VAL 83 HG22 VAL 83 -7.373 -2.472 2.305 701 HG23 VAL 83 HG23 VAL 83 -8.398 -1.051 2.108 702 H LYS 84 H LYS 84 -10.995 -4.437 3.681 703 HA LYS 84 HA LYS 84 -12.122 -4.331 6.181 704 HB2 LYS 84 HB2 LYS 84 -12.706 -5.906 3.721 705 HB3 LYS 84 HB3 LYS 84 -13.539 -6.363 5.201 706 HG2 LYS 84 HG2 LYS 84 -13.607 -3.499 4.737 707 HG3 LYS 84 HG3 LYS 84 -14.324 -4.421 3.413 708 HD2 LYS 84 HD2 LYS 84 -16.084 -3.994 4.927 709 HD3 LYS 84 HD3 LYS 84 -15.631 -5.681 5.182 710 HE2 LYS 84 HE2 LYS 84 -14.341 -5.072 7.138 711 HE3 LYS 84 HE3 LYS 84 -14.665 -3.362 6.853 712 HZ1 LYS 84 HZ1 LYS 84 -16.411 -5.427 7.949 713 HZ2 LYS 84 HZ2 LYS 84 -16.285 -3.789 8.354 714 HZ3 LYS 84 HZ3 LYS 84 -17.138 -4.255 6.968 715 H ASP 85 H ASP 85 -11.113 -7.397 4.661 716 HA ASP 85 HA ASP 85 -11.199 -8.891 7.037 717 HB2 ASP 85 HB2 ASP 85 -9.956 -9.302 4.344 718 HB3 ASP 85 HB3 ASP 85 -9.561 -10.412 5.654 719 H VAL 86 H VAL 86 -8.781 -6.794 5.718 720 HA VAL 86 HA VAL 86 -6.864 -5.958 6.638 721 HB VAL 86 HB VAL 86 -7.274 -7.733 9.035 722 HG11 VAL 86 HG11 VAL 86 -6.022 -6.054 10.206 723 HG12 VAL 86 HG12 VAL 86 -5.122 -6.511 8.760 724 HG13 VAL 86 HG13 VAL 86 -6.029 -4.998 8.793 725 HG21 VAL 86 HG21 VAL 86 -8.638 -5.149 8.334 726 HG22 VAL 86 HG22 VAL 86 -9.363 -6.670 8.856 727 HG23 VAL 86 HG23 VAL 86 -8.449 -5.689 10.002 728 H LYS 87 H LYS 87 -6.949 -9.277 7.936 729 HA LYS 87 HA LYS 87 -4.305 -9.748 6.788 730 HB2 LYS 87 HB2 LYS 87 -4.578 -10.325 9.129 731 HB3 LYS 87 HB3 LYS 87 -5.955 -11.350 8.749 732 HG2 LYS 87 HG2 LYS 87 -4.649 -13.025 7.885 733 HG3 LYS 87 HG3 LYS 87 -3.328 -11.929 7.473 734 HD2 LYS 87 HD2 LYS 87 -2.368 -12.138 9.496 735 HD3 LYS 87 HD3 LYS 87 -3.917 -12.082 10.340 736 HE2 LYS 87 HE2 LYS 87 -3.547 -14.522 8.792 737 HE3 LYS 87 HE3 LYS 87 -2.312 -14.300 10.031 738 HZ1 LYS 87 HZ1 LYS 87 -5.031 -15.059 10.329 739 HZ2 LYS 87 HZ2 LYS 87 -3.786 -15.072 11.475 740 HZ3 LYS 87 HZ3 LYS 87 -4.705 -13.670 11.240 741 H GLY 88 H GLY 88 -7.618 -10.916 6.601 742 HA2 GLY 88 HA2 GLY 88 -8.492 -11.765 4.538 743 HA3 GLY 88 HA3 GLY 88 -6.883 -12.349 4.139 744 H SER 89 H SER 89 -9.817 -13.433 4.768 745 HA SER 89 HA SER 89 -8.982 -15.641 6.513 746 HB2 SER 89 HB2 SER 89 -11.807 -15.283 5.584 747 HB3 SER 89 HB3 SER 89 -11.204 -15.937 7.107 748 HG SER 89 HG SER 89 -11.965 -13.440 6.554 749 H GLY 90 H GLY 90 -7.699 -16.234 4.451 750 HA2 GLY 90 HA2 GLY 90 -7.401 -17.978 2.960 751 HA3 GLY 90 HA3 GLY 90 -9.069 -18.452 3.241 752 H LEU 91 H LEU 91 -6.925 -17.155 1.030 753 HA LEU 91 HA LEU 91 -8.712 -15.456 -0.414 754 HB2 LEU 91 HB2 LEU 91 -5.963 -16.359 -0.631 755 HB3 LEU 91 HB3 LEU 91 -6.764 -16.297 -2.199 756 HG LEU 91 HG LEU 91 -5.557 -14.236 -1.758 757 HD11 LEU 91 HD11 LEU 91 -7.295 -12.690 -2.267 758 HD12 LEU 91 HD12 LEU 91 -7.719 -14.229 -3.015 759 HD13 LEU 91 HD13 LEU 91 -8.515 -13.724 -1.524 760 HD21 LEU 91 HD21 LEU 91 -6.189 -14.588 0.844 761 HD22 LEU 91 HD22 LEU 91 -5.645 -13.057 0.158 762 HD23 LEU 91 HD23 LEU 91 -7.366 -13.357 0.390 763 H GLU 92 H GLU 92 -10.276 -16.022 -1.771 764 HA GLU 92 HA GLU 92 -10.103 -18.602 -3.158 765 HB2 GLU 92 HB2 GLU 92 -11.877 -18.047 -1.033 766 HB3 GLU 92 HB3 GLU 92 -12.842 -18.026 -2.502 767 HG2 GLU 92 HG2 GLU 92 -12.595 -20.237 -2.863 768 HG3 GLU 92 HG3 GLU 92 -10.955 -20.272 -2.219 769 H HIS 93 H HIS 93 -11.656 -18.750 -4.987 770 HA HIS 93 HA HIS 93 -12.820 -16.340 -6.014 771 HB2 HIS 93 HB2 HIS 93 -11.398 -16.384 -8.122 772 HB3 HIS 93 HB3 HIS 93 -10.616 -15.759 -6.673 773 HD1 HIS 93 HD1 HIS 93 -8.925 -17.449 -5.466 774 HD2 HIS 93 HD2 HIS 93 -10.133 -18.506 -9.298 775 HE1 HIS 93 HE1 HIS 93 -7.277 -19.185 -6.234 776 H HIS 94 H HIS 94 -13.800 -16.696 -8.185 777 HA HIS 94 HA HIS 94 -14.349 -19.544 -8.687 778 HB2 HIS 94 HB2 HIS 94 -16.392 -17.315 -8.794 779 HB3 HIS 94 HB3 HIS 94 -16.692 -19.023 -9.101 780 HD1 HIS 94 HD1 HIS 94 -15.527 -16.805 -6.242 781 HD2 HIS 94 HD2 HIS 94 -17.499 -20.401 -6.910 782 HE1 HIS 94 HE1 HIS 94 -16.273 -17.595 -3.974 783 H HIS 95 H HIS 95 -15.023 -20.051 -10.858 784 HA HIS 95 HA HIS 95 -13.468 -18.818 -12.833 785 HB2 HIS 95 HB2 HIS 95 -14.630 -21.181 -12.735 786 HB3 HIS 95 HB3 HIS 95 -15.929 -20.346 -13.581 787 HD1 HIS 95 HD1 HIS 95 -14.894 -22.397 -15.283 788 HD2 HIS 95 HD2 HIS 95 -12.880 -18.778 -14.959 789 HE1 HIS 95 HE1 HIS 95 -13.463 -22.238 -17.343 790 H HIS 96 H HIS 96 -13.764 -16.694 -13.234 791 HA HIS 96 HA HIS 96 -16.144 -15.270 -13.167 792 HB2 HIS 96 HB2 HIS 96 -13.542 -14.836 -14.600 793 HB3 HIS 96 HB3 HIS 96 -14.889 -13.728 -14.849 794 HD1 HIS 96 HD1 HIS 96 -12.912 -15.149 -11.924 795 HD2 HIS 96 HD2 HIS 96 -14.953 -11.710 -13.050 796 HE1 HIS 96 HE1 HIS 96 -12.551 -13.510 -10.050 797 H HIS 97 H HIS 97 -17.226 -14.211 -15.064 798 HA HIS 97 HA HIS 97 -17.611 -16.180 -17.221 799 HB2 HIS 97 HB2 HIS 97 -19.492 -14.999 -15.437 800 HB3 HIS 97 HB3 HIS 97 -19.834 -14.401 -17.057 801 HD1 HIS 97 HD1 HIS 97 -19.143 -17.789 -15.452 802 HD2 HIS 97 HD2 HIS 97 -21.484 -16.048 -18.410 803 HE1 HIS 97 HE1 HIS 97 -20.580 -19.646 -16.352 804 H HIS 98 H HIS 98 -17.041 -15.543 -19.187 805 HA HIS 98 HA HIS 98 -16.448 -12.732 -19.662 806 HB2 HIS 98 HB2 HIS 98 -15.124 -14.989 -20.390 807 HB3 HIS 98 HB3 HIS 98 -16.058 -14.678 -21.850 808 HD1 HIS 98 HD1 HIS 98 -15.820 -11.466 -21.401 809 HD2 HIS 98 HD2 HIS 98 -12.740 -14.241 -21.662 810 HE1 HIS 98 HE1 HIS 98 -13.797 -10.158 -22.122 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -4.505 -8.003 10.819 2 HA2 GLY 1 HA2 GLY 1 -2.248 -7.307 12.587 3 HA3 GLY 1 HA3 GLY 1 -2.087 -8.005 10.982 4 H ARG 2 H ARG 2 -0.594 -6.241 10.584 5 HA ARG 2 HA ARG 2 -1.762 -3.579 10.382 6 HB2 ARG 2 HB2 ARG 2 0.862 -4.617 10.782 7 HB3 ARG 2 HB3 ARG 2 0.872 -3.668 9.302 8 HG2 ARG 2 HG2 ARG 2 0.011 -2.737 12.031 9 HG3 ARG 2 HG3 ARG 2 1.473 -2.270 11.161 10 HD2 ARG 2 HD2 ARG 2 -0.161 -1.470 9.324 11 HD3 ARG 2 HD3 ARG 2 -1.377 -1.540 10.599 12 HE ARG 2 HE ARG 2 0.682 0.423 10.287 13 HH11 ARG 2 HH11 ARG 2 -1.330 -1.224 12.603 14 HH12 ARG 2 HH12 ARG 2 -1.255 0.053 13.772 15 HH21 ARG 2 HH21 ARG 2 0.788 2.111 11.818 16 HH22 ARG 2 HH22 ARG 2 -0.050 1.949 13.324 17 H VAL 3 H VAL 3 -1.883 -2.399 8.450 18 HA VAL 3 HA VAL 3 -1.309 -3.737 5.937 19 HB VAL 3 HB VAL 3 -3.568 -3.429 5.037 20 HG11 VAL 3 HG11 VAL 3 -4.665 -5.257 6.239 21 HG12 VAL 3 HG12 VAL 3 -2.954 -5.595 5.974 22 HG13 VAL 3 HG13 VAL 3 -3.516 -5.078 7.564 23 HG21 VAL 3 HG21 VAL 3 -4.944 -2.003 6.047 24 HG22 VAL 3 HG22 VAL 3 -5.169 -3.206 7.316 25 HG23 VAL 3 HG23 VAL 3 -3.931 -1.961 7.490 26 H VAL 4 H VAL 4 -1.182 -2.336 4.170 27 HA VAL 4 HA VAL 4 -1.561 0.525 4.732 28 HB VAL 4 HB VAL 4 0.886 -0.663 3.417 29 HG11 VAL 4 HG11 VAL 4 1.648 1.791 3.647 30 HG12 VAL 4 HG12 VAL 4 0.556 1.367 2.329 31 HG13 VAL 4 HG13 VAL 4 -0.074 2.152 3.777 32 HG21 VAL 4 HG21 VAL 4 2.112 -0.059 5.332 33 HG22 VAL 4 HG22 VAL 4 0.787 0.913 5.974 34 HG23 VAL 4 HG23 VAL 4 0.658 -0.845 5.947 35 H VAL 5 H VAL 5 -2.383 1.700 3.080 36 HA VAL 5 HA VAL 5 -2.954 0.250 0.584 37 HB VAL 5 HB VAL 5 -4.343 2.736 1.582 38 HG11 VAL 5 HG11 VAL 5 -6.141 1.703 0.019 39 HG12 VAL 5 HG12 VAL 5 -4.784 2.584 -0.685 40 HG13 VAL 5 HG13 VAL 5 -4.781 0.821 -0.673 41 HG21 VAL 5 HG21 VAL 5 -5.167 -0.147 1.918 42 HG22 VAL 5 HG22 VAL 5 -4.668 0.951 3.204 43 HG23 VAL 5 HG23 VAL 5 -6.160 1.256 2.314 44 H VAL 6 H VAL 6 -1.918 0.843 -1.196 45 HA VAL 6 HA VAL 6 -0.842 3.583 -1.356 46 HB VAL 6 HB VAL 6 0.430 1.057 -2.420 47 HG11 VAL 6 HG11 VAL 6 1.074 2.598 -3.994 48 HG12 VAL 6 HG12 VAL 6 0.991 3.950 -2.864 49 HG13 VAL 6 HG13 VAL 6 2.343 2.819 -2.789 50 HG21 VAL 6 HG21 VAL 6 1.339 0.921 -0.392 51 HG22 VAL 6 HG22 VAL 6 2.207 2.411 -0.758 52 HG23 VAL 6 HG23 VAL 6 0.659 2.477 0.086 53 H VAL 7 H VAL 7 -0.982 4.638 -3.316 54 HA VAL 7 HA VAL 7 -2.359 3.232 -5.502 55 HB VAL 7 HB VAL 7 -3.690 5.287 -5.940 56 HG11 VAL 7 HG11 VAL 7 -5.043 4.986 -3.652 57 HG12 VAL 7 HG12 VAL 7 -5.064 3.786 -4.944 58 HG13 VAL 7 HG13 VAL 7 -4.001 3.566 -3.554 59 HG21 VAL 7 HG21 VAL 7 -2.426 6.984 -4.876 60 HG22 VAL 7 HG22 VAL 7 -3.941 6.864 -3.982 61 HG23 VAL 7 HG23 VAL 7 -2.471 6.145 -3.325 62 H THR 8 H THR 8 -2.285 4.547 -7.565 63 HA THR 8 HA THR 8 0.445 5.516 -7.918 64 HB THR 8 HB THR 8 -0.980 5.550 -10.381 65 HG1 THR 8 HG1 THR 8 -1.180 3.008 -9.143 66 HG21 THR 8 HG21 THR 8 0.740 4.163 -11.105 67 HG22 THR 8 HG22 THR 8 1.479 5.008 -9.744 68 HG23 THR 8 HG23 THR 8 0.885 3.360 -9.541 69 H SER 9 H SER 9 -2.772 6.699 -7.721 70 HA SER 9 HA SER 9 -1.855 9.348 -8.633 71 HB2 SER 9 HB2 SER 9 -4.765 8.750 -8.651 72 HB3 SER 9 HB3 SER 9 -3.807 9.724 -9.765 73 HG SER 9 HG SER 9 -4.358 7.909 -10.874 74 H GLU 10 H GLU 10 -2.440 11.137 -7.421 75 HA GLU 10 HA GLU 10 -2.728 10.744 -4.644 76 HB2 GLU 10 HB2 GLU 10 -2.885 13.166 -4.490 77 HB3 GLU 10 HB3 GLU 10 -1.621 12.713 -5.623 78 HG2 GLU 10 HG2 GLU 10 -3.349 13.049 -7.451 79 HG3 GLU 10 HG3 GLU 10 -4.340 13.827 -6.218 80 H GLN 11 H GLN 11 -5.027 11.345 -7.204 81 HA GLN 11 HA GLN 11 -7.229 12.205 -5.748 82 HB2 GLN 11 HB2 GLN 11 -6.732 11.467 -8.379 83 HB3 GLN 11 HB3 GLN 11 -7.957 10.324 -7.847 84 HG2 GLN 11 HG2 GLN 11 -9.355 12.223 -7.115 85 HG3 GLN 11 HG3 GLN 11 -8.147 13.325 -7.776 86 HE21 GLN 11 HE21 GLN 11 -10.270 13.921 -8.895 87 HE22 GLN 11 HE22 GLN 11 -10.550 13.170 -10.425 88 H VAL 12 H VAL 12 -6.288 8.871 -6.565 89 HA VAL 12 HA VAL 12 -8.403 7.590 -5.240 90 HB VAL 12 HB VAL 12 -5.629 6.450 -5.556 91 HG11 VAL 12 HG11 VAL 12 -7.062 5.073 -4.217 92 HG12 VAL 12 HG12 VAL 12 -8.371 5.213 -5.390 93 HG13 VAL 12 HG13 VAL 12 -6.905 4.325 -5.806 94 HG21 VAL 12 HG21 VAL 12 -5.958 7.041 -7.732 95 HG22 VAL 12 HG22 VAL 12 -6.849 5.519 -7.723 96 HG23 VAL 12 HG23 VAL 12 -7.715 7.050 -7.580 97 H LYS 13 H LYS 13 -5.269 8.712 -4.101 98 HA LYS 13 HA LYS 13 -5.224 7.434 -1.612 99 HB2 LYS 13 HB2 LYS 13 -3.285 8.596 -2.592 100 HB3 LYS 13 HB3 LYS 13 -4.092 10.141 -2.350 101 HG2 LYS 13 HG2 LYS 13 -4.164 9.079 0.159 102 HG3 LYS 13 HG3 LYS 13 -2.627 8.465 -0.457 103 HD2 LYS 13 HD2 LYS 13 -1.970 10.486 0.421 104 HD3 LYS 13 HD3 LYS 13 -2.308 10.944 -1.249 105 HE2 LYS 13 HE2 LYS 13 -4.367 11.922 -0.676 106 HE3 LYS 13 HE3 LYS 13 -4.395 11.135 0.902 107 HZ1 LYS 13 HZ1 LYS 13 -2.935 12.634 1.781 108 HZ2 LYS 13 HZ2 LYS 13 -2.206 12.991 0.296 109 HZ3 LYS 13 HZ3 LYS 13 -3.727 13.633 0.668 110 H GLU 14 H GLU 14 -6.423 10.672 -2.480 111 HA GLU 14 HA GLU 14 -7.272 11.457 0.053 112 HB2 GLU 14 HB2 GLU 14 -7.934 12.237 -2.732 113 HB3 GLU 14 HB3 GLU 14 -9.076 12.719 -1.486 114 HG2 GLU 14 HG2 GLU 14 -6.131 13.328 -1.413 115 HG3 GLU 14 HG3 GLU 14 -7.366 14.431 -2.018 116 H GLU 15 H GLU 15 -8.911 9.538 -2.409 117 HA GLU 15 HA GLU 15 -11.421 9.441 -1.076 118 HB2 GLU 15 HB2 GLU 15 -11.715 8.904 -3.276 119 HB3 GLU 15 HB3 GLU 15 -10.167 8.078 -3.393 120 HG2 GLU 15 HG2 GLU 15 -11.013 6.088 -2.599 121 HG3 GLU 15 HG3 GLU 15 -12.372 6.868 -1.790 122 H VAL 16 H VAL 16 -8.534 7.441 -1.021 123 HA VAL 16 HA VAL 16 -9.689 5.302 0.471 124 HB VAL 16 HB VAL 16 -6.787 6.070 0.119 125 HG11 VAL 16 HG11 VAL 16 -6.292 3.780 0.827 126 HG12 VAL 16 HG12 VAL 16 -7.116 4.682 2.098 127 HG13 VAL 16 HG13 VAL 16 -8.006 3.503 1.135 128 HG21 VAL 16 HG21 VAL 16 -6.880 5.142 -1.900 129 HG22 VAL 16 HG22 VAL 16 -7.624 3.683 -1.247 130 HG23 VAL 16 HG23 VAL 16 -8.632 5.048 -1.725 131 H ARG 17 H ARG 17 -7.489 7.963 1.358 132 HA ARG 17 HA ARG 17 -7.351 7.395 4.092 133 HB2 ARG 17 HB2 ARG 17 -6.355 9.506 4.355 134 HB3 ARG 17 HB3 ARG 17 -5.939 9.029 2.714 135 HG2 ARG 17 HG2 ARG 17 -6.594 11.149 2.287 136 HG3 ARG 17 HG3 ARG 17 -8.177 10.372 2.187 137 HD2 ARG 17 HD2 ARG 17 -8.015 10.878 4.845 138 HD3 ARG 17 HD3 ARG 17 -7.100 12.237 4.192 139 HE ARG 17 HE ARG 17 -9.465 12.017 2.732 140 HH11 ARG 17 HH11 ARG 17 -8.438 12.753 5.976 141 HH12 ARG 17 HH12 ARG 17 -9.787 13.789 6.308 142 HH21 ARG 17 HH21 ARG 17 -11.246 13.378 3.156 143 HH22 ARG 17 HH22 ARG 17 -11.385 14.142 4.704 144 H LYS 18 H LYS 18 -9.759 9.081 2.207 145 HA LYS 18 HA LYS 18 -11.109 10.280 4.417 146 HB2 LYS 18 HB2 LYS 18 -11.239 11.013 1.992 147 HB3 LYS 18 HB3 LYS 18 -12.293 9.632 1.717 148 HG2 LYS 18 HG2 LYS 18 -13.931 10.506 3.238 149 HG3 LYS 18 HG3 LYS 18 -12.852 11.823 3.705 150 HD2 LYS 18 HD2 LYS 18 -12.874 12.391 1.170 151 HD3 LYS 18 HD3 LYS 18 -14.340 11.409 1.140 152 HE2 LYS 18 HE2 LYS 18 -13.998 13.607 3.148 153 HE3 LYS 18 HE3 LYS 18 -14.545 13.959 1.510 154 HZ1 LYS 18 HZ1 LYS 18 -16.401 13.638 3.027 155 HZ2 LYS 18 HZ2 LYS 18 -16.390 12.442 1.830 156 HZ3 LYS 18 HZ3 LYS 18 -15.860 12.078 3.395 157 H LYS 19 H LYS 19 -11.528 7.294 2.576 158 HA LYS 19 HA LYS 19 -13.937 6.498 3.853 159 HB2 LYS 19 HB2 LYS 19 -11.871 5.085 2.196 160 HB3 LYS 19 HB3 LYS 19 -13.152 4.173 2.983 161 HG2 LYS 19 HG2 LYS 19 -13.919 6.532 1.353 162 HG3 LYS 19 HG3 LYS 19 -13.393 5.070 0.516 163 HD2 LYS 19 HD2 LYS 19 -15.183 3.834 1.268 164 HD3 LYS 19 HD3 LYS 19 -15.411 4.839 2.701 165 HE2 LYS 19 HE2 LYS 19 -15.795 6.344 0.256 166 HE3 LYS 19 HE3 LYS 19 -16.865 4.946 0.333 167 HZ1 LYS 19 HZ1 LYS 19 -17.934 5.745 2.172 168 HZ2 LYS 19 HZ2 LYS 19 -16.615 6.667 2.696 169 HZ3 LYS 19 HZ3 LYS 19 -17.558 7.203 1.398 170 H PHE 20 H PHE 20 -10.520 5.841 4.462 171 HA PHE 20 HA PHE 20 -11.228 4.950 7.155 172 HB2 PHE 20 HB2 PHE 20 -9.249 3.411 5.475 173 HB3 PHE 20 HB3 PHE 20 -9.889 2.975 7.056 174 HD1 PHE 20 HD1 PHE 20 -10.155 2.429 3.606 175 HD2 PHE 20 HD2 PHE 20 -12.500 2.692 7.148 176 HE1 PHE 20 HE1 PHE 20 -11.936 1.124 2.520 177 HE2 PHE 20 HE2 PHE 20 -14.284 1.388 6.069 178 HZ PHE 20 HZ PHE 20 -14.004 0.602 3.750 179 HA PRO 21 HA PRO 21 -7.735 7.973 7.119 180 HB2 PRO 21 HB2 PRO 21 -8.648 9.386 9.250 181 HB3 PRO 21 HB3 PRO 21 -9.177 9.699 7.592 182 HG2 PRO 21 HG2 PRO 21 -10.541 8.139 9.753 183 HG3 PRO 21 HG3 PRO 21 -11.231 9.301 8.605 184 HD2 PRO 21 HD2 PRO 21 -11.430 6.622 8.264 185 HD3 PRO 21 HD3 PRO 21 -11.323 7.752 6.900 186 H GLN 22 H GLN 22 -9.184 5.928 9.540 187 HA GLN 22 HA GLN 22 -7.200 6.258 11.544 188 HB2 GLN 22 HB2 GLN 22 -8.159 4.214 12.530 189 HB3 GLN 22 HB3 GLN 22 -9.400 5.380 12.091 190 HG2 GLN 22 HG2 GLN 22 -9.274 3.881 9.838 191 HG3 GLN 22 HG3 GLN 22 -8.897 2.680 11.071 192 HE21 GLN 22 HE21 GLN 22 -10.480 1.951 12.385 193 HE22 GLN 22 HE22 GLN 22 -12.133 2.446 12.284 194 H VAL 23 H VAL 23 -7.416 4.340 8.662 195 HA VAL 23 HA VAL 23 -5.235 2.587 9.417 196 HB VAL 23 HB VAL 23 -7.253 2.008 7.882 197 HG11 VAL 23 HG11 VAL 23 -7.303 2.740 5.758 198 HG12 VAL 23 HG12 VAL 23 -6.290 4.046 6.373 199 HG13 VAL 23 HG13 VAL 23 -5.550 2.656 5.580 200 HG21 VAL 23 HG21 VAL 23 -6.076 0.199 7.055 201 HG22 VAL 23 HG22 VAL 23 -4.621 1.149 6.757 202 HG23 VAL 23 HG23 VAL 23 -5.063 0.708 8.407 203 H GLU 24 H GLU 24 -3.366 2.339 7.892 204 HA GLU 24 HA GLU 24 -2.138 4.922 7.504 205 HB2 GLU 24 HB2 GLU 24 -1.222 2.085 7.436 206 HB3 GLU 24 HB3 GLU 24 -0.260 3.286 6.583 207 HG2 GLU 24 HG2 GLU 24 -0.344 4.603 8.795 208 HG3 GLU 24 HG3 GLU 24 -0.835 3.068 9.509 209 H VAL 25 H VAL 25 -1.862 5.982 5.638 210 HA VAL 25 HA VAL 25 -2.387 4.559 3.118 211 HB VAL 25 HB VAL 25 -4.412 5.793 3.636 212 HG11 VAL 25 HG11 VAL 25 -2.809 8.338 3.611 213 HG12 VAL 25 HG12 VAL 25 -4.494 8.107 4.082 214 HG13 VAL 25 HG13 VAL 25 -3.198 7.476 5.099 215 HG21 VAL 25 HG21 VAL 25 -2.854 6.110 1.304 216 HG22 VAL 25 HG22 VAL 25 -4.607 6.210 1.463 217 HG23 VAL 25 HG23 VAL 25 -3.623 7.663 1.628 218 H ARG 26 H ARG 26 -0.799 4.807 1.696 219 HA ARG 26 HA ARG 26 0.743 7.294 1.667 220 HB2 ARG 26 HB2 ARG 26 1.972 4.534 1.803 221 HB3 ARG 26 HB3 ARG 26 2.862 6.021 1.500 222 HG2 ARG 26 HG2 ARG 26 1.236 5.583 3.987 223 HG3 ARG 26 HG3 ARG 26 2.936 5.125 3.857 224 HD2 ARG 26 HD2 ARG 26 1.935 7.904 3.283 225 HD3 ARG 26 HD3 ARG 26 2.465 7.387 4.883 226 HE ARG 26 HE ARG 26 4.523 6.738 3.181 227 HH11 ARG 26 HH11 ARG 26 2.821 9.640 4.077 228 HH12 ARG 26 HH12 ARG 26 4.184 10.677 3.815 229 HH21 ARG 26 HH21 ARG 26 6.325 8.092 2.832 230 HH22 ARG 26 HH22 ARG 26 6.177 9.795 3.106 231 H VAL 27 H VAL 27 0.652 8.057 -0.330 232 HA VAL 27 HA VAL 27 0.151 6.252 -2.563 233 HB VAL 27 HB VAL 27 -1.228 8.222 -2.503 234 HG11 VAL 27 HG11 VAL 27 0.563 10.331 -3.063 235 HG12 VAL 27 HG12 VAL 27 -0.469 10.123 -1.648 236 HG13 VAL 27 HG13 VAL 27 1.178 9.491 -1.639 237 HG21 VAL 27 HG21 VAL 27 -0.803 9.133 -4.709 238 HG22 VAL 27 HG22 VAL 27 0.857 8.540 -4.662 239 HG23 VAL 27 HG23 VAL 27 -0.487 7.399 -4.707 240 H VAL 28 H VAL 28 1.611 5.708 -4.066 241 HA VAL 28 HA VAL 28 4.224 7.076 -4.010 242 HB VAL 28 HB VAL 28 5.333 5.019 -4.518 243 HG11 VAL 28 HG11 VAL 28 3.326 4.638 -2.301 244 HG12 VAL 28 HG12 VAL 28 4.770 3.653 -2.531 245 HG13 VAL 28 HG13 VAL 28 4.924 5.372 -2.169 246 HG21 VAL 28 HG21 VAL 28 3.649 2.919 -4.372 247 HG22 VAL 28 HG22 VAL 28 2.603 4.107 -5.151 248 HG23 VAL 28 HG23 VAL 28 4.145 3.674 -5.887 249 H THR 29 H THR 29 5.227 7.509 -5.954 250 HA THR 29 HA THR 29 3.649 6.960 -8.383 251 HB THR 29 HB THR 29 4.515 9.147 -9.273 252 HG1 THR 29 HG1 THR 29 6.211 9.488 -7.796 253 HG21 THR 29 HG21 THR 29 2.481 8.743 -7.211 254 HG22 THR 29 HG22 THR 29 3.035 10.412 -7.339 255 HG23 THR 29 HG23 THR 29 2.376 9.591 -8.753 256 H THR 30 H THR 30 6.822 7.398 -6.947 257 HA THR 30 HA THR 30 8.019 6.210 -9.366 258 HB THR 30 HB THR 30 9.973 7.526 -7.696 259 HG1 THR 30 HG1 THR 30 8.169 9.359 -8.851 260 HG21 THR 30 HG21 THR 30 9.698 6.904 -10.317 261 HG22 THR 30 HG22 THR 30 9.307 8.623 -10.350 262 HG23 THR 30 HG23 THR 30 10.855 8.084 -9.702 263 H GLU 31 H GLU 31 10.195 5.132 -8.825 264 HA GLU 31 HA GLU 31 9.690 3.014 -7.017 265 HB2 GLU 31 HB2 GLU 31 12.329 3.806 -8.260 266 HB3 GLU 31 HB3 GLU 31 11.926 2.238 -7.576 267 HG2 GLU 31 HG2 GLU 31 10.221 1.933 -9.313 268 HG3 GLU 31 HG3 GLU 31 10.673 3.487 -10.011 269 H GLU 32 H GLU 32 11.623 5.951 -6.811 270 HA GLU 32 HA GLU 32 12.920 5.312 -4.373 271 HB2 GLU 32 HB2 GLU 32 13.521 7.124 -6.109 272 HB3 GLU 32 HB3 GLU 32 12.328 8.116 -5.283 273 HG2 GLU 32 HG2 GLU 32 13.570 7.908 -3.203 274 HG3 GLU 32 HG3 GLU 32 14.752 6.873 -4.002 275 H ASP 33 H ASP 33 9.944 7.046 -5.157 276 HA ASP 33 HA ASP 33 9.343 8.014 -2.603 277 HB2 ASP 33 HB2 ASP 33 7.881 7.574 -5.117 278 HB3 ASP 33 HB3 ASP 33 6.872 7.530 -3.674 279 H ALA 34 H ALA 34 8.255 5.015 -4.189 280 HA ALA 34 HA ALA 34 6.763 3.997 -2.064 281 HB1 ALA 34 HB1 ALA 34 6.756 1.942 -3.201 282 HB2 ALA 34 HB2 ALA 34 6.887 3.162 -4.468 283 HB3 ALA 34 HB3 ALA 34 8.316 2.261 -3.961 284 H LYS 35 H LYS 35 10.203 3.636 -2.822 285 HA LYS 35 HA LYS 35 10.940 1.742 -0.960 286 HB2 LYS 35 HB2 LYS 35 12.257 3.619 -2.623 287 HB3 LYS 35 HB3 LYS 35 12.935 3.802 -1.010 288 HG2 LYS 35 HG2 LYS 35 12.641 1.028 -1.924 289 HG3 LYS 35 HG3 LYS 35 13.790 2.007 -2.839 290 HD2 LYS 35 HD2 LYS 35 14.138 2.497 -0.041 291 HD3 LYS 35 HD3 LYS 35 14.171 0.758 -0.337 292 HE2 LYS 35 HE2 LYS 35 16.338 1.126 -0.814 293 HE3 LYS 35 HE3 LYS 35 15.710 1.647 -2.377 294 HZ1 LYS 35 HZ1 LYS 35 17.184 3.313 -1.598 295 HZ2 LYS 35 HZ2 LYS 35 15.619 3.935 -1.437 296 HZ3 LYS 35 HZ3 LYS 35 16.447 3.366 -0.076 297 H GLN 36 H GLN 36 10.847 5.273 -0.490 298 HA GLN 36 HA GLN 36 11.540 5.191 2.248 299 HB2 GLN 36 HB2 GLN 36 10.006 7.319 0.745 300 HB3 GLN 36 HB3 GLN 36 10.776 7.520 2.313 301 HG2 GLN 36 HG2 GLN 36 12.892 6.697 0.916 302 HG3 GLN 36 HG3 GLN 36 11.962 7.431 -0.390 303 HE21 GLN 36 HE21 GLN 36 14.264 8.003 1.866 304 HE22 GLN 36 HE22 GLN 36 14.111 9.717 2.018 305 H VAL 37 H VAL 37 8.522 4.842 0.549 306 HA VAL 37 HA VAL 37 6.803 5.303 2.769 307 HB VAL 37 HB VAL 37 6.338 3.813 0.185 308 HG11 VAL 37 HG11 VAL 37 3.890 4.205 0.814 309 HG12 VAL 37 HG12 VAL 37 4.746 2.905 1.643 310 HG13 VAL 37 HG13 VAL 37 4.482 4.447 2.457 311 HG21 VAL 37 HG21 VAL 37 4.783 6.143 0.353 312 HG22 VAL 37 HG22 VAL 37 6.400 6.593 0.897 313 HG23 VAL 37 HG23 VAL 37 6.177 5.851 -0.688 314 H VAL 38 H VAL 38 7.792 2.287 1.137 315 HA VAL 38 HA VAL 38 6.588 0.502 2.897 316 HB VAL 38 HB VAL 38 8.260 -1.158 2.120 317 HG11 VAL 38 HG11 VAL 38 7.558 0.219 -0.383 318 HG12 VAL 38 HG12 VAL 38 7.174 -1.413 0.164 319 HG13 VAL 38 HG13 VAL 38 6.221 -0.045 0.736 320 HG21 VAL 38 HG21 VAL 38 9.455 1.185 0.640 321 HG22 VAL 38 HG22 VAL 38 10.195 0.340 2.000 322 HG23 VAL 38 HG23 VAL 38 9.936 -0.504 0.473 323 H LYS 39 H LYS 39 9.645 2.204 3.132 324 HA LYS 39 HA LYS 39 10.695 0.709 5.306 325 HB2 LYS 39 HB2 LYS 39 11.321 3.377 4.088 326 HB3 LYS 39 HB3 LYS 39 12.078 2.901 5.603 327 HG2 LYS 39 HG2 LYS 39 12.279 0.777 3.681 328 HG3 LYS 39 HG3 LYS 39 12.909 2.282 3.009 329 HD2 LYS 39 HD2 LYS 39 14.313 2.551 5.029 330 HD3 LYS 39 HD3 LYS 39 13.728 0.991 5.612 331 HE2 LYS 39 HE2 LYS 39 15.724 0.410 4.610 332 HE3 LYS 39 HE3 LYS 39 14.567 0.116 3.313 333 HZ1 LYS 39 HZ1 LYS 39 16.528 2.291 3.591 334 HZ2 LYS 39 HZ2 LYS 39 16.201 1.308 2.253 335 HZ3 LYS 39 HZ3 LYS 39 15.127 2.545 2.676 336 H GLU 40 H GLU 40 8.838 3.716 5.089 337 HA GLU 40 HA GLU 40 8.915 4.432 7.788 338 HB2 GLU 40 HB2 GLU 40 7.742 5.443 5.498 339 HB3 GLU 40 HB3 GLU 40 6.360 5.007 6.493 340 HG2 GLU 40 HG2 GLU 40 7.099 6.415 8.267 341 HG3 GLU 40 HG3 GLU 40 8.639 6.711 7.463 342 H VAL 41 H VAL 41 6.481 2.522 6.029 343 HA VAL 41 HA VAL 41 4.909 1.955 8.323 344 HB VAL 41 HB VAL 41 3.744 0.340 6.953 345 HG11 VAL 41 HG11 VAL 41 3.227 1.791 4.960 346 HG12 VAL 41 HG12 VAL 41 3.096 2.583 6.531 347 HG13 VAL 41 HG13 VAL 41 4.508 2.870 5.513 348 HG21 VAL 41 HG21 VAL 41 6.000 0.705 4.984 349 HG22 VAL 41 HG22 VAL 41 5.638 -0.753 5.908 350 HG23 VAL 41 HG23 VAL 41 4.513 -0.190 4.671 351 H GLN 42 H GLN 42 7.639 0.376 6.797 352 HA GLN 42 HA GLN 42 7.473 -2.140 7.984 353 HB2 GLN 42 HB2 GLN 42 9.604 -0.508 6.752 354 HB3 GLN 42 HB3 GLN 42 10.157 -1.767 7.849 355 HG2 GLN 42 HG2 GLN 42 9.024 -3.454 6.561 356 HG3 GLN 42 HG3 GLN 42 8.312 -2.225 5.517 357 HE21 GLN 42 HE21 GLN 42 11.567 -2.943 6.747 358 HE22 GLN 42 HE22 GLN 42 12.348 -2.878 5.207 359 H LYS 43 H LYS 43 8.915 0.858 9.183 360 HA LYS 43 HA LYS 43 9.932 -0.316 11.581 361 HB2 LYS 43 HB2 LYS 43 10.061 2.221 10.269 362 HB3 LYS 43 HB3 LYS 43 9.553 2.478 11.933 363 HG2 LYS 43 HG2 LYS 43 11.518 1.051 12.623 364 HG3 LYS 43 HG3 LYS 43 12.067 1.161 10.949 365 HD2 LYS 43 HD2 LYS 43 13.179 2.958 11.789 366 HD3 LYS 43 HD3 LYS 43 11.649 3.754 11.410 367 HE2 LYS 43 HE2 LYS 43 11.823 4.450 13.554 368 HE3 LYS 43 HE3 LYS 43 11.095 2.879 13.882 369 HZ1 LYS 43 HZ1 LYS 43 13.691 2.250 13.809 370 HZ2 LYS 43 HZ2 LYS 43 13.776 3.822 14.429 371 HZ3 LYS 43 HZ3 LYS 43 12.857 2.646 15.226 372 H LYS 44 H LYS 44 6.962 1.301 10.660 373 HA LYS 44 HA LYS 44 5.952 1.707 13.277 374 HB2 LYS 44 HB2 LYS 44 5.190 2.641 10.921 375 HB3 LYS 44 HB3 LYS 44 4.110 1.253 10.970 376 HG2 LYS 44 HG2 LYS 44 2.784 2.861 11.903 377 HG3 LYS 44 HG3 LYS 44 3.529 2.178 13.350 378 HD2 LYS 44 HD2 LYS 44 5.346 4.057 12.784 379 HD3 LYS 44 HD3 LYS 44 3.924 4.820 12.068 380 HE2 LYS 44 HE2 LYS 44 3.335 3.708 14.672 381 HE3 LYS 44 HE3 LYS 44 4.676 4.850 14.748 382 HZ1 LYS 44 HZ1 LYS 44 2.300 5.735 14.993 383 HZ2 LYS 44 HZ2 LYS 44 3.359 6.571 13.971 384 HZ3 LYS 44 HZ3 LYS 44 2.190 5.538 13.316 385 H GLY 45 H GLY 45 5.804 -0.976 11.010 386 HA2 GLY 45 HA2 GLY 45 5.698 -3.175 12.248 387 HA3 GLY 45 HA3 GLY 45 4.265 -2.507 13.014 388 H VAL 46 H VAL 46 5.000 -1.937 9.649 389 HA VAL 46 HA VAL 46 2.518 -2.634 8.673 390 HB VAL 46 HB VAL 46 4.423 -1.443 7.455 391 HG11 VAL 46 HG11 VAL 46 6.149 -2.575 6.551 392 HG12 VAL 46 HG12 VAL 46 5.776 -3.758 7.803 393 HG13 VAL 46 HG13 VAL 46 5.161 -3.983 6.166 394 HG21 VAL 46 HG21 VAL 46 2.986 -3.541 5.842 395 HG22 VAL 46 HG22 VAL 46 2.192 -2.109 6.495 396 HG23 VAL 46 HG23 VAL 46 3.497 -1.935 5.323 397 H GLN 47 H GLN 47 1.662 -4.455 7.642 398 HA GLN 47 HA GLN 47 3.137 -6.970 8.014 399 HB2 GLN 47 HB2 GLN 47 1.072 -6.271 9.636 400 HB3 GLN 47 HB3 GLN 47 0.211 -7.120 8.360 401 HG2 GLN 47 HG2 GLN 47 0.677 -8.977 9.478 402 HG3 GLN 47 HG3 GLN 47 2.326 -8.788 8.883 403 HE21 GLN 47 HE21 GLN 47 3.239 -9.759 10.672 404 HE22 GLN 47 HE22 GLN 47 3.284 -9.000 12.223 405 H LYS 48 H LYS 48 0.547 -5.246 6.353 406 HA LYS 48 HA LYS 48 0.952 -7.016 4.041 407 HB2 LYS 48 HB2 LYS 48 -1.407 -6.826 5.607 408 HB3 LYS 48 HB3 LYS 48 -1.744 -6.052 4.063 409 HG2 LYS 48 HG2 LYS 48 -2.043 -8.040 3.147 410 HG3 LYS 48 HG3 LYS 48 -0.367 -8.456 3.512 411 HD2 LYS 48 HD2 LYS 48 -1.281 -8.978 5.885 412 HD3 LYS 48 HD3 LYS 48 -2.850 -9.043 5.079 413 HE2 LYS 48 HE2 LYS 48 -2.275 -10.894 3.824 414 HE3 LYS 48 HE3 LYS 48 -0.547 -10.571 3.948 415 HZ1 LYS 48 HZ1 LYS 48 -1.758 -11.071 6.493 416 HZ2 LYS 48 HZ2 LYS 48 -1.948 -12.374 5.430 417 HZ3 LYS 48 HZ3 LYS 48 -0.400 -11.791 5.786 418 H VAL 49 H VAL 49 1.890 -5.753 2.571 419 HA VAL 49 HA VAL 49 1.191 -2.931 2.386 420 HB VAL 49 HB VAL 49 3.211 -4.459 0.744 421 HG11 VAL 49 HG11 VAL 49 2.959 -2.513 -0.418 422 HG12 VAL 49 HG12 VAL 49 2.437 -1.604 1.001 423 HG13 VAL 49 HG13 VAL 49 4.146 -1.979 0.773 424 HG21 VAL 49 HG21 VAL 49 3.923 -4.703 2.983 425 HG22 VAL 49 HG22 VAL 49 4.862 -3.363 2.324 426 HG23 VAL 49 HG23 VAL 49 3.489 -3.041 3.383 427 H VAL 50 H VAL 50 -0.430 -2.309 1.133 428 HA VAL 50 HA VAL 50 -1.068 -3.912 -1.257 429 HB VAL 50 HB VAL 50 -2.921 -2.016 0.188 430 HG11 VAL 50 HG11 VAL 50 -3.411 -4.112 -1.926 431 HG12 VAL 50 HG12 VAL 50 -4.662 -3.177 -1.108 432 HG13 VAL 50 HG13 VAL 50 -3.489 -2.364 -2.144 433 HG21 VAL 50 HG21 VAL 50 -3.865 -4.592 0.560 434 HG22 VAL 50 HG22 VAL 50 -2.129 -4.730 0.836 435 HG23 VAL 50 HG23 VAL 50 -3.082 -3.578 1.771 436 H VAL 51 H VAL 51 -1.155 -2.957 -3.227 437 HA VAL 51 HA VAL 51 -0.869 -0.039 -3.380 438 HB VAL 51 HB VAL 51 0.840 -0.191 -5.078 439 HG11 VAL 51 HG11 VAL 51 2.209 -1.968 -3.261 440 HG12 VAL 51 HG12 VAL 51 2.429 -0.238 -3.522 441 HG13 VAL 51 HG13 VAL 51 1.205 -0.810 -2.389 442 HG21 VAL 51 HG21 VAL 51 0.143 -2.295 -6.105 443 HG22 VAL 51 HG22 VAL 51 1.860 -2.321 -5.707 444 HG23 VAL 51 HG23 VAL 51 0.706 -3.180 -4.686 445 H VAL 52 H VAL 52 -1.675 0.918 -5.271 446 HA VAL 52 HA VAL 52 -3.308 -0.861 -6.962 447 HB VAL 52 HB VAL 52 -4.007 1.983 -6.229 448 HG11 VAL 52 HG11 VAL 52 -4.865 0.440 -8.335 449 HG12 VAL 52 HG12 VAL 52 -6.121 0.188 -7.123 450 HG13 VAL 52 HG13 VAL 52 -5.721 1.822 -7.653 451 HG21 VAL 52 HG21 VAL 52 -4.725 1.222 -4.268 452 HG22 VAL 52 HG22 VAL 52 -5.889 0.218 -5.133 453 HG23 VAL 52 HG23 VAL 52 -4.307 -0.435 -4.705 454 H GLY 53 H GLY 53 -3.075 -0.677 -9.115 455 HA2 GLY 53 HA2 GLY 53 -2.279 0.033 -11.147 456 HA3 GLY 53 HA3 GLY 53 -2.380 1.664 -10.502 457 H VAL 54 H VAL 54 -0.396 -0.809 -9.035 458 HA VAL 54 HA VAL 54 1.993 0.668 -9.932 459 HB VAL 54 HB VAL 54 1.718 -0.964 -7.406 460 HG11 VAL 54 HG11 VAL 54 3.961 -0.940 -7.636 461 HG12 VAL 54 HG12 VAL 54 3.939 0.433 -8.743 462 HG13 VAL 54 HG13 VAL 54 3.803 0.699 -7.005 463 HG21 VAL 54 HG21 VAL 54 1.807 1.298 -6.289 464 HG22 VAL 54 HG22 VAL 54 1.482 2.000 -7.874 465 HG23 VAL 54 HG23 VAL 54 0.304 0.920 -7.131 466 H SER 55 H SER 55 3.724 -0.447 -10.734 467 HA SER 55 HA SER 55 3.299 -2.880 -12.019 468 HB2 SER 55 HB2 SER 55 6.103 -2.534 -11.475 469 HB3 SER 55 HB3 SER 55 5.237 -2.325 -12.997 470 HG SER 55 HG SER 55 5.520 -0.270 -12.744 471 H GLU 56 H GLU 56 3.542 -4.968 -11.467 472 HA GLU 56 HA GLU 56 3.746 -5.678 -8.726 473 HB2 GLU 56 HB2 GLU 56 3.660 -8.003 -9.542 474 HB3 GLU 56 HB3 GLU 56 2.406 -7.001 -10.259 475 HG2 GLU 56 HG2 GLU 56 3.079 -7.950 -12.167 476 HG3 GLU 56 HG3 GLU 56 4.354 -6.733 -12.103 477 H LYS 57 H LYS 57 5.987 -5.756 -11.439 478 HA LYS 57 HA LYS 57 8.023 -7.281 -10.274 479 HB2 LYS 57 HB2 LYS 57 9.492 -6.319 -11.945 480 HB3 LYS 57 HB3 LYS 57 7.929 -6.670 -12.671 481 HG2 LYS 57 HG2 LYS 57 7.442 -4.164 -12.067 482 HG3 LYS 57 HG3 LYS 57 9.203 -4.049 -12.080 483 HD2 LYS 57 HD2 LYS 57 7.653 -5.272 -14.348 484 HD3 LYS 57 HD3 LYS 57 7.997 -3.543 -14.265 485 HE2 LYS 57 HE2 LYS 57 10.296 -5.343 -13.844 486 HE3 LYS 57 HE3 LYS 57 9.606 -5.343 -15.466 487 HZ1 LYS 57 HZ1 LYS 57 9.759 -2.800 -15.235 488 HZ2 LYS 57 HZ2 LYS 57 10.861 -3.121 -13.991 489 HZ3 LYS 57 HZ3 LYS 57 11.173 -3.669 -15.561 490 H VAL 58 H VAL 58 7.189 -3.894 -9.945 491 HA VAL 58 HA VAL 58 9.598 -3.118 -8.626 492 HB VAL 58 HB VAL 58 6.890 -1.777 -8.624 493 HG11 VAL 58 HG11 VAL 58 8.170 0.248 -7.997 494 HG12 VAL 58 HG12 VAL 58 8.210 -1.007 -6.759 495 HG13 VAL 58 HG13 VAL 58 9.608 -0.756 -7.806 496 HG21 VAL 58 HG21 VAL 58 7.681 -0.431 -10.418 497 HG22 VAL 58 HG22 VAL 58 9.311 -1.090 -10.278 498 HG23 VAL 58 HG23 VAL 58 7.995 -2.110 -10.859 499 H VAL 59 H VAL 59 6.269 -3.589 -7.428 500 HA VAL 59 HA VAL 59 6.903 -3.344 -4.702 501 HB VAL 59 HB VAL 59 4.741 -4.488 -4.281 502 HG11 VAL 59 HG11 VAL 59 3.782 -2.726 -6.325 503 HG12 VAL 59 HG12 VAL 59 3.813 -2.492 -4.578 504 HG13 VAL 59 HG13 VAL 59 5.205 -2.026 -5.554 505 HG21 VAL 59 HG21 VAL 59 4.591 -6.118 -5.964 506 HG22 VAL 59 HG22 VAL 59 3.347 -4.936 -6.373 507 HG23 VAL 59 HG23 VAL 59 4.879 -4.942 -7.246 508 H GLN 60 H GLN 60 6.840 -6.130 -6.857 509 HA GLN 60 HA GLN 60 7.057 -8.168 -4.965 510 HB2 GLN 60 HB2 GLN 60 6.615 -8.528 -7.374 511 HB3 GLN 60 HB3 GLN 60 8.281 -8.089 -7.729 512 HG2 GLN 60 HG2 GLN 60 7.920 -10.243 -5.757 513 HG3 GLN 60 HG3 GLN 60 7.422 -10.614 -7.407 514 HE21 GLN 60 HE21 GLN 60 9.162 -9.505 -9.001 515 HE22 GLN 60 HE22 GLN 60 10.777 -10.032 -8.687 516 H LYS 61 H LYS 61 9.617 -6.364 -6.645 517 HA LYS 61 HA LYS 61 11.810 -7.678 -5.534 518 HB2 LYS 61 HB2 LYS 61 11.368 -5.416 -7.174 519 HB3 LYS 61 HB3 LYS 61 12.395 -4.884 -5.849 520 HG2 LYS 61 HG2 LYS 61 14.113 -6.323 -6.432 521 HG3 LYS 61 HG3 LYS 61 13.046 -7.383 -7.355 522 HD2 LYS 61 HD2 LYS 61 12.789 -5.652 -9.059 523 HD3 LYS 61 HD3 LYS 61 13.832 -4.572 -8.129 524 HE2 LYS 61 HE2 LYS 61 15.316 -6.898 -8.375 525 HE3 LYS 61 HE3 LYS 61 14.529 -6.730 -9.942 526 HZ1 LYS 61 HZ1 LYS 61 16.009 -5.190 -10.465 527 HZ2 LYS 61 HZ2 LYS 61 15.477 -4.216 -9.188 528 HZ3 LYS 61 HZ3 LYS 61 16.736 -5.319 -8.942 529 H VAL 62 H VAL 62 10.592 -4.471 -4.544 530 HA VAL 62 HA VAL 62 12.055 -4.211 -2.218 531 HB VAL 62 HB VAL 62 10.202 -2.716 -1.411 532 HG11 VAL 62 HG11 VAL 62 10.580 -1.805 -4.163 533 HG12 VAL 62 HG12 VAL 62 11.077 -1.062 -2.643 534 HG13 VAL 62 HG13 VAL 62 12.068 -2.325 -3.372 535 HG21 VAL 62 HG21 VAL 62 8.265 -3.744 -2.301 536 HG22 VAL 62 HG22 VAL 62 8.438 -2.210 -3.152 537 HG23 VAL 62 HG23 VAL 62 8.914 -3.714 -3.940 538 H LYS 63 H LYS 63 8.877 -5.719 -2.657 539 HA LYS 63 HA LYS 63 8.256 -6.256 -0.009 540 HB2 LYS 63 HB2 LYS 63 6.607 -6.632 -1.693 541 HB3 LYS 63 HB3 LYS 63 7.632 -7.789 -2.531 542 HG2 LYS 63 HG2 LYS 63 7.115 -8.570 0.213 543 HG3 LYS 63 HG3 LYS 63 5.632 -8.371 -0.724 544 HD2 LYS 63 HD2 LYS 63 6.628 -9.833 -2.480 545 HD3 LYS 63 HD3 LYS 63 7.997 -10.117 -1.404 546 HE2 LYS 63 HE2 LYS 63 6.828 -11.516 -0.080 547 HE3 LYS 63 HE3 LYS 63 5.349 -10.564 -0.207 548 HZ1 LYS 63 HZ1 LYS 63 5.548 -12.924 -1.299 549 HZ2 LYS 63 HZ2 LYS 63 4.673 -11.686 -2.052 550 HZ3 LYS 63 HZ3 LYS 63 6.244 -12.048 -2.568 551 H GLN 64 H GLN 64 10.250 -8.114 -2.263 552 HA GLN 64 HA GLN 64 10.664 -10.361 -0.636 553 HB2 GLN 64 HB2 GLN 64 11.591 -9.408 -3.142 554 HB3 GLN 64 HB3 GLN 64 13.008 -9.832 -2.189 555 HG2 GLN 64 HG2 GLN 64 11.624 -12.013 -1.708 556 HG3 GLN 64 HG3 GLN 64 10.817 -11.561 -3.210 557 HE21 GLN 64 HE21 GLN 64 12.020 -11.493 -5.131 558 HE22 GLN 64 HE22 GLN 64 13.522 -12.332 -5.287 559 H GLU 65 H GLU 65 12.539 -7.367 -0.978 560 HA GLU 65 HA GLU 65 14.406 -8.170 1.078 561 HB2 GLU 65 HB2 GLU 65 15.576 -6.172 0.605 562 HB3 GLU 65 HB3 GLU 65 14.982 -6.748 -0.947 563 HG2 GLU 65 HG2 GLU 65 13.152 -5.150 -0.860 564 HG3 GLU 65 HG3 GLU 65 13.706 -4.589 0.717 565 H ALA 66 H ALA 66 11.315 -7.106 1.173 566 HA ALA 66 HA ALA 66 11.665 -5.391 3.521 567 HB1 ALA 66 HB1 ALA 66 10.140 -4.339 2.169 568 HB2 ALA 66 HB2 ALA 66 9.440 -5.852 1.595 569 HB3 ALA 66 HB3 ALA 66 9.064 -5.267 3.214 570 H ASN 67 H ASN 67 10.640 -8.564 2.584 571 HA ASN 67 HA ASN 67 10.067 -10.403 3.794 572 HB2 ASN 67 HB2 ASN 67 11.917 -9.319 5.320 573 HB3 ASN 67 HB3 ASN 67 10.553 -8.972 6.378 574 HD21 ASN 67 HD21 ASN 67 12.445 -10.533 7.373 575 HD22 ASN 67 HD22 ASN 67 11.935 -12.183 7.443 576 H VAL 68 H VAL 68 8.009 -8.829 2.961 577 HA VAL 68 HA VAL 68 6.041 -9.282 5.077 578 HB VAL 68 HB VAL 68 4.928 -7.135 4.635 579 HG11 VAL 68 HG11 VAL 68 7.807 -6.927 5.507 580 HG12 VAL 68 HG12 VAL 68 6.584 -5.682 5.770 581 HG13 VAL 68 HG13 VAL 68 6.410 -7.264 6.530 582 HG21 VAL 68 HG21 VAL 68 6.157 -5.367 3.417 583 HG22 VAL 68 HG22 VAL 68 7.356 -6.568 2.936 584 HG23 VAL 68 HG23 VAL 68 5.688 -6.715 2.382 585 H GLN 69 H GLN 69 3.756 -8.918 4.143 586 HA GLN 69 HA GLN 69 3.632 -10.401 1.639 587 HB2 GLN 69 HB2 GLN 69 2.150 -10.486 3.987 588 HB3 GLN 69 HB3 GLN 69 1.073 -9.703 2.838 589 HG2 GLN 69 HG2 GLN 69 0.535 -11.900 2.521 590 HG3 GLN 69 HG3 GLN 69 1.767 -11.674 1.281 591 HE21 GLN 69 HE21 GLN 69 1.804 -14.062 1.500 592 HE22 GLN 69 HE22 GLN 69 2.866 -14.746 2.679 593 H VAL 70 H VAL 70 3.184 -9.500 -0.257 594 HA VAL 70 HA VAL 70 2.213 -6.723 -0.287 595 HB VAL 70 HB VAL 70 4.358 -6.975 -1.374 596 HG11 VAL 70 HG11 VAL 70 3.007 -9.034 -3.116 597 HG12 VAL 70 HG12 VAL 70 4.640 -8.408 -3.345 598 HG13 VAL 70 HG13 VAL 70 4.250 -9.346 -1.904 599 HG21 VAL 70 HG21 VAL 70 2.125 -6.619 -3.372 600 HG22 VAL 70 HG22 VAL 70 2.821 -5.366 -2.345 601 HG23 VAL 70 HG23 VAL 70 3.798 -6.114 -3.610 602 H TYR 71 H TYR 71 0.362 -6.183 -1.306 603 HA TYR 71 HA TYR 71 -1.037 -8.284 -2.822 604 HB2 TYR 71 HB2 TYR 71 -2.102 -6.494 -0.650 605 HB3 TYR 71 HB3 TYR 71 -3.171 -7.208 -1.852 606 HD1 TYR 71 HD1 TYR 71 -0.445 -8.259 0.484 607 HD2 TYR 71 HD2 TYR 71 -4.180 -9.210 -1.319 608 HE1 TYR 71 HE1 TYR 71 -0.558 -10.322 1.819 609 HE2 TYR 71 HE2 TYR 71 -4.303 -11.275 0.012 610 HH TYR 71 HH TYR 71 -1.623 -12.317 2.039 611 H ARG 72 H ARG 72 -2.028 -7.662 -4.676 612 HA ARG 72 HA ARG 72 -1.640 -4.868 -5.487 613 HB2 ARG 72 HB2 ARG 72 -0.574 -6.362 -6.999 614 HB3 ARG 72 HB3 ARG 72 -1.980 -7.415 -7.060 615 HG2 ARG 72 HG2 ARG 72 -3.062 -6.118 -8.569 616 HG3 ARG 72 HG3 ARG 72 -2.360 -4.621 -7.950 617 HD2 ARG 72 HD2 ARG 72 -0.881 -4.651 -9.605 618 HD3 ARG 72 HD3 ARG 72 -0.242 -6.174 -8.991 619 HE ARG 72 HE ARG 72 -2.474 -6.846 -10.448 620 HH11 ARG 72 HH11 ARG 72 0.537 -5.209 -11.063 621 HH12 ARG 72 HH12 ARG 72 0.614 -5.699 -12.723 622 HH21 ARG 72 HH21 ARG 72 -2.384 -7.496 -12.632 623 HH22 ARG 72 HH22 ARG 72 -1.049 -6.998 -13.615 624 H VAL 73 H VAL 73 -3.305 -3.638 -6.324 625 HA VAL 73 HA VAL 73 -6.000 -4.808 -6.279 626 HB VAL 73 HB VAL 73 -5.210 -2.199 -4.977 627 HG11 VAL 73 HG11 VAL 73 -7.766 -3.163 -6.013 628 HG12 VAL 73 HG12 VAL 73 -7.829 -2.654 -4.325 629 HG13 VAL 73 HG13 VAL 73 -7.265 -1.532 -5.563 630 HG21 VAL 73 HG21 VAL 73 -4.719 -4.191 -3.637 631 HG22 VAL 73 HG22 VAL 73 -6.019 -3.235 -2.925 632 HG23 VAL 73 HG23 VAL 73 -6.394 -4.716 -3.807 633 H THR 74 H THR 74 -7.304 -4.167 -7.904 634 HA THR 74 HA THR 74 -6.274 -2.075 -9.709 635 HB THR 74 HB THR 74 -8.114 -3.588 -11.166 636 HG1 THR 74 HG1 THR 74 -8.091 -5.406 -10.019 637 HG21 THR 74 HG21 THR 74 -6.085 -2.607 -12.066 638 HG22 THR 74 HG22 THR 74 -5.096 -3.710 -11.110 639 HG23 THR 74 HG23 THR 74 -6.110 -4.336 -12.410 640 H SER 75 H SER 75 -9.096 -3.393 -8.098 641 HA SER 75 HA SER 75 -10.667 -1.078 -9.019 642 HB2 SER 75 HB2 SER 75 -11.295 -3.858 -8.922 643 HB3 SER 75 HB3 SER 75 -12.340 -3.024 -7.773 644 HG SER 75 HG SER 75 -13.418 -2.786 -9.621 645 H ASN 76 H ASN 76 -12.311 -0.302 -7.419 646 HA ASN 76 HA ASN 76 -11.019 0.405 -4.995 647 HB2 ASN 76 HB2 ASN 76 -13.874 0.768 -5.922 648 HB3 ASN 76 HB3 ASN 76 -13.234 1.453 -4.431 649 HD21 ASN 76 HD21 ASN 76 -14.266 3.181 -6.130 650 HD22 ASN 76 HD22 ASN 76 -13.044 4.082 -6.953 651 H ASP 77 H ASP 77 -13.443 -1.983 -5.851 652 HA ASP 77 HA ASP 77 -14.281 -2.665 -3.254 653 HB2 ASP 77 HB2 ASP 77 -14.728 -3.604 -5.913 654 HB3 ASP 77 HB3 ASP 77 -14.341 -4.989 -4.897 655 H GLU 78 H GLU 78 -11.431 -3.458 -5.061 656 HA GLU 78 HA GLU 78 -10.682 -5.730 -3.485 657 HB2 GLU 78 HB2 GLU 78 -9.536 -4.180 -5.710 658 HB3 GLU 78 HB3 GLU 78 -8.349 -4.871 -4.613 659 HG2 GLU 78 HG2 GLU 78 -10.283 -6.865 -5.180 660 HG3 GLU 78 HG3 GLU 78 -9.780 -6.136 -6.703 661 H VAL 79 H VAL 79 -10.133 -2.283 -3.337 662 HA VAL 79 HA VAL 79 -7.996 -2.358 -1.459 663 HB VAL 79 HB VAL 79 -9.946 -0.131 -2.068 664 HG11 VAL 79 HG11 VAL 79 -7.445 -0.236 -0.415 665 HG12 VAL 79 HG12 VAL 79 -7.998 1.267 -1.154 666 HG13 VAL 79 HG13 VAL 79 -9.026 0.425 0.005 667 HG21 VAL 79 HG21 VAL 79 -7.214 -0.788 -3.157 668 HG22 VAL 79 HG22 VAL 79 -8.736 -0.697 -4.044 669 HG23 VAL 79 HG23 VAL 79 -8.011 0.769 -3.383 670 H GLU 80 H GLU 80 -11.497 -1.834 -1.142 671 HA GLU 80 HA GLU 80 -11.446 -1.534 1.683 672 HB2 GLU 80 HB2 GLU 80 -13.765 -2.351 -0.076 673 HB3 GLU 80 HB3 GLU 80 -13.870 -1.719 1.563 674 HG2 GLU 80 HG2 GLU 80 -13.096 0.423 0.868 675 HG3 GLU 80 HG3 GLU 80 -12.701 -0.180 -0.740 676 H GLN 81 H GLN 81 -11.702 -4.269 -0.470 677 HA GLN 81 HA GLN 81 -12.647 -6.146 1.433 678 HB2 GLN 81 HB2 GLN 81 -11.401 -6.296 -1.272 679 HB3 GLN 81 HB3 GLN 81 -11.439 -7.758 -0.294 680 HG2 GLN 81 HG2 GLN 81 -13.867 -6.109 -0.943 681 HG3 GLN 81 HG3 GLN 81 -13.343 -7.510 -1.875 682 HE21 GLN 81 HE21 GLN 81 -13.176 -9.556 -0.703 683 HE22 GLN 81 HE22 GLN 81 -14.294 -9.875 0.573 684 H VAL 82 H VAL 82 -9.385 -5.549 0.127 685 HA VAL 82 HA VAL 82 -8.037 -7.391 1.751 686 HB VAL 82 HB VAL 82 -5.996 -6.089 1.257 687 HG11 VAL 82 HG11 VAL 82 -7.920 -6.873 -0.875 688 HG12 VAL 82 HG12 VAL 82 -6.412 -6.085 -1.339 689 HG13 VAL 82 HG13 VAL 82 -6.374 -7.595 -0.429 690 HG21 VAL 82 HG21 VAL 82 -6.228 -4.116 -0.268 691 HG22 VAL 82 HG22 VAL 82 -7.958 -4.131 0.076 692 HG23 VAL 82 HG23 VAL 82 -6.803 -3.845 1.378 693 H VAL 83 H VAL 83 -8.871 -4.003 2.279 694 HA VAL 83 HA VAL 83 -7.412 -3.756 4.722 695 HB VAL 83 HB VAL 83 -9.659 -2.070 3.611 696 HG11 VAL 83 HG11 VAL 83 -8.116 -1.930 6.126 697 HG12 VAL 83 HG12 VAL 83 -8.335 -0.412 5.254 698 HG13 VAL 83 HG13 VAL 83 -9.740 -1.352 5.756 699 HG21 VAL 83 HG21 VAL 83 -8.146 -1.016 2.357 700 HG22 VAL 83 HG22 VAL 83 -7.004 -0.903 3.696 701 HG23 VAL 83 HG23 VAL 83 -7.061 -2.362 2.706 702 H LYS 84 H LYS 84 -10.832 -4.273 3.925 703 HA LYS 84 HA LYS 84 -11.982 -4.176 6.408 704 HB2 LYS 84 HB2 LYS 84 -12.557 -5.680 3.916 705 HB3 LYS 84 HB3 LYS 84 -13.363 -6.242 5.374 706 HG2 LYS 84 HG2 LYS 84 -13.440 -3.350 4.618 707 HG3 LYS 84 HG3 LYS 84 -14.540 -4.510 3.869 708 HD2 LYS 84 HD2 LYS 84 -14.278 -4.463 6.841 709 HD3 LYS 84 HD3 LYS 84 -15.232 -3.211 6.043 710 HE2 LYS 84 HE2 LYS 84 -15.649 -6.135 5.492 711 HE3 LYS 84 HE3 LYS 84 -16.461 -5.310 6.822 712 HZ1 LYS 84 HZ1 LYS 84 -17.850 -4.271 5.430 713 HZ2 LYS 84 HZ2 LYS 84 -16.654 -3.966 4.272 714 HZ3 LYS 84 HZ3 LYS 84 -17.418 -5.474 4.322 715 H ASP 85 H ASP 85 -10.943 -7.238 4.896 716 HA ASP 85 HA ASP 85 -11.031 -8.677 7.339 717 HB2 ASP 85 HB2 ASP 85 -11.294 -9.776 5.157 718 HB3 ASP 85 HB3 ASP 85 -9.630 -9.367 4.748 719 H VAL 86 H VAL 86 -8.577 -6.822 5.722 720 HA VAL 86 HA VAL 86 -6.542 -6.076 6.441 721 HB VAL 86 HB VAL 86 -7.003 -7.581 9.014 722 HG11 VAL 86 HG11 VAL 86 -5.474 -5.028 8.632 723 HG12 VAL 86 HG12 VAL 86 -5.386 -6.185 9.960 724 HG13 VAL 86 HG13 VAL 86 -4.720 -6.603 8.381 725 HG21 VAL 86 HG21 VAL 86 -8.015 -5.571 9.914 726 HG22 VAL 86 HG22 VAL 86 -7.827 -4.753 8.363 727 HG23 VAL 86 HG23 VAL 86 -8.927 -6.123 8.510 728 H LYS 87 H LYS 87 -6.771 -9.232 8.080 729 HA LYS 87 HA LYS 87 -4.174 -10.019 7.210 730 HB2 LYS 87 HB2 LYS 87 -6.091 -10.923 9.091 731 HB3 LYS 87 HB3 LYS 87 -5.748 -12.274 8.018 732 HG2 LYS 87 HG2 LYS 87 -3.292 -11.797 8.449 733 HG3 LYS 87 HG3 LYS 87 -3.840 -10.749 9.760 734 HD2 LYS 87 HD2 LYS 87 -5.123 -12.722 10.653 735 HD3 LYS 87 HD3 LYS 87 -4.286 -13.714 9.458 736 HE2 LYS 87 HE2 LYS 87 -2.754 -11.966 11.347 737 HE3 LYS 87 HE3 LYS 87 -3.329 -13.554 11.856 738 HZ1 LYS 87 HZ1 LYS 87 -2.189 -14.303 9.658 739 HZ2 LYS 87 HZ2 LYS 87 -1.306 -12.870 9.839 740 HZ3 LYS 87 HZ3 LYS 87 -1.259 -14.051 11.050 741 H GLY 88 H GLY 88 -4.044 -12.401 6.251 742 HA2 GLY 88 HA2 GLY 88 -5.994 -13.173 4.345 743 HA3 GLY 88 HA3 GLY 88 -4.729 -12.238 3.560 744 H SER 89 H SER 89 -5.501 -15.087 3.296 745 HA SER 89 HA SER 89 -3.016 -16.370 4.207 746 HB2 SER 89 HB2 SER 89 -4.771 -18.313 3.137 747 HB3 SER 89 HB3 SER 89 -4.349 -18.058 4.830 748 HG SER 89 HG SER 89 -6.454 -17.716 4.904 749 H GLY 90 H GLY 90 -5.064 -15.811 1.390 750 HA2 GLY 90 HA2 GLY 90 -2.786 -16.034 -0.358 751 HA3 GLY 90 HA3 GLY 90 -3.931 -17.353 -0.543 752 H LEU 91 H LEU 91 -4.464 -16.762 -2.653 753 HA LEU 91 HA LEU 91 -5.680 -14.133 -3.053 754 HB2 LEU 91 HB2 LEU 91 -4.938 -16.317 -4.992 755 HB3 LEU 91 HB3 LEU 91 -5.713 -14.802 -5.451 756 HG LEU 91 HG LEU 91 -3.086 -14.777 -4.013 757 HD11 LEU 91 HD11 LEU 91 -3.264 -14.840 -7.004 758 HD12 LEU 91 HD12 LEU 91 -1.853 -15.048 -5.968 759 HD13 LEU 91 HD13 LEU 91 -3.070 -16.321 -6.066 760 HD21 LEU 91 HD21 LEU 91 -4.590 -12.738 -4.487 761 HD22 LEU 91 HD22 LEU 91 -2.875 -12.630 -4.882 762 HD23 LEU 91 HD23 LEU 91 -4.056 -12.923 -6.159 763 H GLU 92 H GLU 92 -7.810 -13.849 -3.074 764 HA GLU 92 HA GLU 92 -9.606 -15.960 -2.526 765 HB2 GLU 92 HB2 GLU 92 -10.090 -13.704 -1.792 766 HB3 GLU 92 HB3 GLU 92 -10.110 -13.130 -3.454 767 HG2 GLU 92 HG2 GLU 92 -12.073 -14.538 -3.898 768 HG3 GLU 92 HG3 GLU 92 -12.065 -15.052 -2.211 769 H HIS 93 H HIS 93 -9.523 -17.536 -4.098 770 HA HIS 93 HA HIS 93 -10.212 -16.756 -6.842 771 HB2 HIS 93 HB2 HIS 93 -8.958 -19.232 -5.670 772 HB3 HIS 93 HB3 HIS 93 -9.598 -19.207 -7.310 773 HD1 HIS 93 HD1 HIS 93 -6.687 -19.755 -7.097 774 HD2 HIS 93 HD2 HIS 93 -8.192 -15.887 -7.277 775 HE1 HIS 93 HE1 HIS 93 -4.785 -18.331 -7.921 776 H HIS 94 H HIS 94 -12.332 -16.723 -7.201 777 HA HIS 94 HA HIS 94 -13.908 -19.071 -6.434 778 HB2 HIS 94 HB2 HIS 94 -14.580 -16.202 -5.799 779 HB3 HIS 94 HB3 HIS 94 -15.818 -17.453 -5.883 780 HD1 HIS 94 HD1 HIS 94 -12.675 -16.610 -3.943 781 HD2 HIS 94 HD2 HIS 94 -16.106 -18.930 -3.605 782 HE1 HIS 94 HE1 HIS 94 -12.647 -17.514 -1.596 783 H HIS 95 H HIS 95 -12.830 -18.492 -8.945 784 HA HIS 95 HA HIS 95 -15.274 -17.912 -10.482 785 HB2 HIS 95 HB2 HIS 95 -12.548 -16.801 -10.759 786 HB3 HIS 95 HB3 HIS 95 -13.329 -17.282 -12.263 787 HD1 HIS 95 HD1 HIS 95 -14.113 -15.128 -9.226 788 HD2 HIS 95 HD2 HIS 95 -14.957 -15.375 -13.286 789 HE1 HIS 95 HE1 HIS 95 -15.464 -13.075 -9.758 790 H HIS 96 H HIS 96 -12.221 -19.674 -10.325 791 HA HIS 96 HA HIS 96 -13.002 -21.375 -12.556 792 HB2 HIS 96 HB2 HIS 96 -10.497 -21.161 -10.893 793 HB3 HIS 96 HB3 HIS 96 -10.746 -22.468 -12.047 794 HD1 HIS 96 HD1 HIS 96 -11.615 -21.276 -14.538 795 HD2 HIS 96 HD2 HIS 96 -8.993 -19.246 -12.035 796 HE1 HIS 96 HE1 HIS 96 -10.449 -19.599 -16.004 797 H HIS 97 H HIS 97 -12.428 -23.809 -12.166 798 HA HIS 97 HA HIS 97 -14.315 -24.815 -10.332 799 HB2 HIS 97 HB2 HIS 97 -12.800 -25.834 -12.461 800 HB3 HIS 97 HB3 HIS 97 -12.334 -26.794 -11.059 801 HD1 HIS 97 HD1 HIS 97 -14.088 -27.765 -13.552 802 HD2 HIS 97 HD2 HIS 97 -15.487 -26.741 -9.776 803 HE1 HIS 97 HE1 HIS 97 -16.290 -28.955 -13.306 804 H HIS 98 H HIS 98 -13.544 -26.742 -8.831 805 HA HIS 98 HA HIS 98 -12.573 -27.340 -6.863 806 HB2 HIS 98 HB2 HIS 98 -10.519 -27.168 -8.472 807 HB3 HIS 98 HB3 HIS 98 -10.139 -25.725 -7.538 808 HD1 HIS 98 HD1 HIS 98 -11.382 -27.346 -4.894 809 HD2 HIS 98 HD2 HIS 98 -8.152 -28.304 -7.324 810 HE1 HIS 98 HE1 HIS 98 -9.918 -28.845 -3.505 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -3.290 -6.515 13.718 2 HA2 GLY 1 HA2 GLY 1 -2.635 -8.002 11.460 3 HA3 GLY 1 HA3 GLY 1 -4.382 -7.819 11.451 4 H ARG 2 H ARG 2 -1.361 -6.313 10.861 5 HA ARG 2 HA ARG 2 -2.546 -3.667 10.559 6 HB2 ARG 2 HB2 ARG 2 0.192 -4.755 10.770 7 HB3 ARG 2 HB3 ARG 2 0.010 -3.375 9.696 8 HG2 ARG 2 HG2 ARG 2 -1.296 -3.088 12.308 9 HG3 ARG 2 HG3 ARG 2 0.464 -3.205 12.354 10 HD2 ARG 2 HD2 ARG 2 0.536 -1.407 10.608 11 HD3 ARG 2 HD3 ARG 2 -1.205 -1.218 10.824 12 HE ARG 2 HE ARG 2 0.846 -0.209 12.521 13 HH11 ARG 2 HH11 ARG 2 -2.398 -1.476 12.519 14 HH12 ARG 2 HH12 ARG 2 -2.865 -0.641 13.962 15 HH21 ARG 2 HH21 ARG 2 0.242 0.896 14.423 16 HH22 ARG 2 HH22 ARG 2 -1.362 0.709 15.045 17 H VAL 3 H VAL 3 -2.534 -2.510 8.599 18 HA VAL 3 HA VAL 3 -1.828 -3.908 6.150 19 HB VAL 3 HB VAL 3 -4.001 -3.672 5.113 20 HG11 VAL 3 HG11 VAL 3 -3.548 -5.752 6.301 21 HG12 VAL 3 HG12 VAL 3 -4.209 -5.061 7.783 22 HG13 VAL 3 HG13 VAL 3 -5.260 -5.337 6.394 23 HG21 VAL 3 HG21 VAL 3 -4.943 -1.760 6.088 24 HG22 VAL 3 HG22 VAL 3 -5.967 -3.086 6.639 25 HG23 VAL 3 HG23 VAL 3 -4.759 -2.398 7.723 26 H VAL 4 H VAL 4 -1.557 -2.546 4.374 27 HA VAL 4 HA VAL 4 -1.946 0.330 4.845 28 HB VAL 4 HB VAL 4 0.585 -0.969 3.832 29 HG11 VAL 4 HG11 VAL 4 0.360 0.896 2.449 30 HG12 VAL 4 HG12 VAL 4 -0.353 1.877 3.730 31 HG13 VAL 4 HG13 VAL 4 1.365 1.478 3.776 32 HG21 VAL 4 HG21 VAL 4 0.175 -0.837 6.318 33 HG22 VAL 4 HG22 VAL 4 1.642 -0.045 5.744 34 HG23 VAL 4 HG23 VAL 4 0.222 0.918 6.149 35 H VAL 5 H VAL 5 -2.652 1.467 3.118 36 HA VAL 5 HA VAL 5 -3.060 -0.033 0.620 37 HB VAL 5 HB VAL 5 -4.498 2.462 1.528 38 HG11 VAL 5 HG11 VAL 5 -4.778 2.433 -0.753 39 HG12 VAL 5 HG12 VAL 5 -4.703 0.673 -0.850 40 HG13 VAL 5 HG13 VAL 5 -6.155 1.462 -0.234 41 HG21 VAL 5 HG21 VAL 5 -4.817 -0.268 2.358 42 HG22 VAL 5 HG22 VAL 5 -5.684 1.171 2.896 43 HG23 VAL 5 HG23 VAL 5 -6.254 0.274 1.489 44 H VAL 6 H VAL 6 -2.110 0.608 -1.212 45 HA VAL 6 HA VAL 6 -0.882 3.285 -1.289 46 HB VAL 6 HB VAL 6 0.327 0.778 -2.465 47 HG11 VAL 6 HG11 VAL 6 0.936 3.652 -2.661 48 HG12 VAL 6 HG12 VAL 6 2.319 2.598 -2.363 49 HG13 VAL 6 HG13 VAL 6 1.297 2.335 -3.776 50 HG21 VAL 6 HG21 VAL 6 2.088 1.697 -0.586 51 HG22 VAL 6 HG22 VAL 6 0.531 1.985 0.191 52 HG23 VAL 6 HG23 VAL 6 0.958 0.363 -0.355 53 H VAL 7 H VAL 7 -0.926 4.365 -3.242 54 HA VAL 7 HA VAL 7 -2.333 3.045 -5.464 55 HB VAL 7 HB VAL 7 -3.529 5.175 -5.919 56 HG11 VAL 7 HG11 VAL 7 -3.983 3.531 -3.486 57 HG12 VAL 7 HG12 VAL 7 -4.980 4.969 -3.717 58 HG13 VAL 7 HG13 VAL 7 -4.968 3.698 -4.940 59 HG21 VAL 7 HG21 VAL 7 -2.185 5.965 -3.361 60 HG22 VAL 7 HG22 VAL 7 -2.300 6.854 -4.879 61 HG23 VAL 7 HG23 VAL 7 -3.716 6.697 -3.841 62 H THR 8 H THR 8 -2.233 4.587 -7.468 63 HA THR 8 HA THR 8 0.586 5.345 -7.773 64 HB THR 8 HB THR 8 -0.481 5.428 -10.305 65 HG1 THR 8 HG1 THR 8 -2.195 4.202 -10.352 66 HG21 THR 8 HG21 THR 8 0.557 2.851 -9.183 67 HG22 THR 8 HG22 THR 8 0.890 3.604 -10.743 68 HG23 THR 8 HG23 THR 8 1.603 4.268 -9.273 69 H SER 9 H SER 9 -2.590 6.633 -7.665 70 HA SER 9 HA SER 9 -1.576 9.236 -8.608 71 HB2 SER 9 HB2 SER 9 -3.514 7.935 -9.878 72 HB3 SER 9 HB3 SER 9 -4.506 8.665 -8.616 73 HG SER 9 HG SER 9 -3.172 10.654 -9.345 74 H GLU 10 H GLU 10 -2.104 11.068 -7.431 75 HA GLU 10 HA GLU 10 -2.387 10.743 -4.647 76 HB2 GLU 10 HB2 GLU 10 -2.575 13.204 -4.581 77 HB3 GLU 10 HB3 GLU 10 -1.231 12.662 -5.578 78 HG2 GLU 10 HG2 GLU 10 -2.722 12.957 -7.573 79 HG3 GLU 10 HG3 GLU 10 -3.885 13.729 -6.497 80 H GLN 11 H GLN 11 -4.691 11.383 -7.203 81 HA GLN 11 HA GLN 11 -6.858 12.290 -5.711 82 HB2 GLN 11 HB2 GLN 11 -6.444 11.789 -8.336 83 HB3 GLN 11 HB3 GLN 11 -7.474 10.426 -7.921 84 HG2 GLN 11 HG2 GLN 11 -9.128 12.022 -6.995 85 HG3 GLN 11 HG3 GLN 11 -8.113 13.344 -7.571 86 HE21 GLN 11 HE21 GLN 11 -8.050 13.822 -9.734 87 HE22 GLN 11 HE22 GLN 11 -9.131 13.124 -10.887 88 H VAL 12 H VAL 12 -6.030 8.948 -6.618 89 HA VAL 12 HA VAL 12 -8.166 7.713 -5.275 90 HB VAL 12 HB VAL 12 -5.448 6.481 -5.723 91 HG11 VAL 12 HG11 VAL 12 -8.217 5.292 -5.556 92 HG12 VAL 12 HG12 VAL 12 -6.736 4.399 -5.904 93 HG13 VAL 12 HG13 VAL 12 -6.951 5.170 -4.333 94 HG21 VAL 12 HG21 VAL 12 -5.958 7.305 -7.843 95 HG22 VAL 12 HG22 VAL 12 -6.589 5.658 -7.881 96 HG23 VAL 12 HG23 VAL 12 -7.687 7.018 -7.643 97 H LYS 13 H LYS 13 -4.953 8.667 -4.203 98 HA LYS 13 HA LYS 13 -4.902 7.315 -1.750 99 HB2 LYS 13 HB2 LYS 13 -2.927 8.388 -2.748 100 HB3 LYS 13 HB3 LYS 13 -3.644 9.971 -2.470 101 HG2 LYS 13 HG2 LYS 13 -3.536 8.408 -0.039 102 HG3 LYS 13 HG3 LYS 13 -1.943 8.592 -0.775 103 HD2 LYS 13 HD2 LYS 13 -2.779 11.106 -1.017 104 HD3 LYS 13 HD3 LYS 13 -3.760 10.639 0.374 105 HE2 LYS 13 HE2 LYS 13 -1.994 11.004 1.672 106 HE3 LYS 13 HE3 LYS 13 -1.188 9.649 0.881 107 HZ1 LYS 13 HZ1 LYS 13 0.292 11.326 0.496 108 HZ2 LYS 13 HZ2 LYS 13 -0.656 11.462 -0.899 109 HZ3 LYS 13 HZ3 LYS 13 -0.895 12.527 0.395 110 H GLU 14 H GLU 14 -5.966 10.625 -2.513 111 HA GLU 14 HA GLU 14 -6.682 11.410 0.058 112 HB2 GLU 14 HB2 GLU 14 -7.810 12.198 -2.628 113 HB3 GLU 14 HB3 GLU 14 -8.284 12.975 -1.123 114 HG2 GLU 14 HG2 GLU 14 -5.972 13.657 -0.741 115 HG3 GLU 14 HG3 GLU 14 -5.493 12.877 -2.248 116 H GLU 15 H GLU 15 -8.594 9.736 -2.412 117 HA GLU 15 HA GLU 15 -11.019 9.691 -0.974 118 HB2 GLU 15 HB2 GLU 15 -11.394 9.183 -3.172 119 HB3 GLU 15 HB3 GLU 15 -9.906 8.260 -3.325 120 HG2 GLU 15 HG2 GLU 15 -10.855 6.330 -2.490 121 HG3 GLU 15 HG3 GLU 15 -12.151 7.200 -1.669 122 H VAL 16 H VAL 16 -8.246 7.528 -1.034 123 HA VAL 16 HA VAL 16 -9.457 5.455 0.501 124 HB VAL 16 HB VAL 16 -6.534 6.070 0.050 125 HG11 VAL 16 HG11 VAL 16 -6.820 4.702 2.028 126 HG12 VAL 16 HG12 VAL 16 -7.868 3.595 1.141 127 HG13 VAL 16 HG13 VAL 16 -6.161 3.726 0.714 128 HG21 VAL 16 HG21 VAL 16 -7.482 3.736 -1.295 129 HG22 VAL 16 HG22 VAL 16 -8.517 5.103 -1.707 130 HG23 VAL 16 HG23 VAL 16 -6.777 5.200 -1.978 131 H ARG 17 H ARG 17 -7.119 8.016 1.313 132 HA ARG 17 HA ARG 17 -6.849 7.441 4.022 133 HB2 ARG 17 HB2 ARG 17 -6.368 9.786 2.292 134 HB3 ARG 17 HB3 ARG 17 -6.566 10.138 4.003 135 HG2 ARG 17 HG2 ARG 17 -4.817 8.320 4.399 136 HG3 ARG 17 HG3 ARG 17 -4.482 8.449 2.672 137 HD2 ARG 17 HD2 ARG 17 -3.038 10.051 3.285 138 HD3 ARG 17 HD3 ARG 17 -4.475 11.064 3.420 139 HE ARG 17 HE ARG 17 -4.153 11.118 5.677 140 HH11 ARG 17 HH11 ARG 17 -2.436 8.384 4.375 141 HH12 ARG 17 HH12 ARG 17 -1.688 7.971 5.883 142 HH21 ARG 17 HH21 ARG 17 -3.176 10.584 7.667 143 HH22 ARG 17 HH22 ARG 17 -2.111 9.221 7.755 144 H LYS 18 H LYS 18 -9.372 9.133 2.301 145 HA LYS 18 HA LYS 18 -10.600 10.260 4.630 146 HB2 LYS 18 HB2 LYS 18 -10.797 10.810 1.998 147 HB3 LYS 18 HB3 LYS 18 -12.229 9.807 2.195 148 HG2 LYS 18 HG2 LYS 18 -13.193 11.290 3.733 149 HG3 LYS 18 HG3 LYS 18 -11.667 12.136 3.998 150 HD2 LYS 18 HD2 LYS 18 -11.940 12.531 1.360 151 HD3 LYS 18 HD3 LYS 18 -13.641 12.410 1.812 152 HE2 LYS 18 HE2 LYS 18 -13.449 14.217 3.340 153 HE3 LYS 18 HE3 LYS 18 -11.690 14.211 3.228 154 HZ1 LYS 18 HZ1 LYS 18 -11.723 15.390 1.334 155 HZ2 LYS 18 HZ2 LYS 18 -13.094 14.608 0.723 156 HZ3 LYS 18 HZ3 LYS 18 -13.264 15.861 1.846 157 H LYS 19 H LYS 19 -11.101 7.370 2.666 158 HA LYS 19 HA LYS 19 -13.484 6.526 3.943 159 HB2 LYS 19 HB2 LYS 19 -12.376 5.755 1.698 160 HB3 LYS 19 HB3 LYS 19 -11.546 4.592 2.723 161 HG2 LYS 19 HG2 LYS 19 -13.313 3.284 2.379 162 HG3 LYS 19 HG3 LYS 19 -14.153 4.332 3.525 163 HD2 LYS 19 HD2 LYS 19 -14.063 4.827 0.552 164 HD3 LYS 19 HD3 LYS 19 -15.363 3.949 1.362 165 HE2 LYS 19 HE2 LYS 19 -15.858 5.910 2.718 166 HE3 LYS 19 HE3 LYS 19 -14.529 6.786 1.961 167 HZ1 LYS 19 HZ1 LYS 19 -16.469 5.666 0.127 168 HZ2 LYS 19 HZ2 LYS 19 -17.064 6.896 1.125 169 HZ3 LYS 19 HZ3 LYS 19 -15.730 7.187 0.125 170 H PHE 20 H PHE 20 -10.064 5.778 4.473 171 HA PHE 20 HA PHE 20 -10.786 4.739 7.125 172 HB2 PHE 20 HB2 PHE 20 -8.687 3.489 5.342 173 HB3 PHE 20 HB3 PHE 20 -9.210 2.918 6.923 174 HD1 PHE 20 HD1 PHE 20 -9.447 2.285 3.558 175 HD2 PHE 20 HD2 PHE 20 -11.911 2.613 7.014 176 HE1 PHE 20 HE1 PHE 20 -11.145 0.868 2.478 177 HE2 PHE 20 HE2 PHE 20 -13.611 1.196 5.940 178 HZ PHE 20 HZ PHE 20 -13.230 0.320 3.670 179 HA PRO 21 HA PRO 21 -7.538 8.019 7.419 180 HB2 PRO 21 HB2 PRO 21 -8.647 9.233 9.580 181 HB3 PRO 21 HB3 PRO 21 -9.123 9.605 7.919 182 HG2 PRO 21 HG2 PRO 21 -10.462 7.826 9.920 183 HG3 PRO 21 HG3 PRO 21 -11.186 9.002 8.807 184 HD2 PRO 21 HD2 PRO 21 -11.170 6.340 8.308 185 HD3 PRO 21 HD3 PRO 21 -11.087 7.555 7.015 186 H GLN 22 H GLN 22 -9.036 5.918 9.815 187 HA GLN 22 HA GLN 22 -7.004 6.210 11.785 188 HB2 GLN 22 HB2 GLN 22 -8.080 4.423 12.942 189 HB3 GLN 22 HB3 GLN 22 -9.345 5.401 12.210 190 HG2 GLN 22 HG2 GLN 22 -8.905 3.559 10.264 191 HG3 GLN 22 HG3 GLN 22 -8.590 2.616 11.721 192 HE21 GLN 22 HE21 GLN 22 -10.695 2.051 10.026 193 HE22 GLN 22 HE22 GLN 22 -12.183 2.386 10.837 194 H VAL 23 H VAL 23 -7.369 4.244 8.951 195 HA VAL 23 HA VAL 23 -5.280 2.387 9.695 196 HB VAL 23 HB VAL 23 -7.379 2.102 8.045 197 HG11 VAL 23 HG11 VAL 23 -6.146 3.784 6.497 198 HG12 VAL 23 HG12 VAL 23 -5.159 2.388 6.063 199 HG13 VAL 23 HG13 VAL 23 -6.902 2.353 5.796 200 HG21 VAL 23 HG21 VAL 23 -5.858 0.350 8.939 201 HG22 VAL 23 HG22 VAL 23 -6.358 0.068 7.271 202 HG23 VAL 23 HG23 VAL 23 -4.747 0.695 7.614 203 H GLU 24 H GLU 24 -3.435 2.027 8.157 204 HA GLU 24 HA GLU 24 -2.126 4.578 7.676 205 HB2 GLU 24 HB2 GLU 24 -1.062 1.755 7.470 206 HB3 GLU 24 HB3 GLU 24 -0.101 3.219 7.320 207 HG2 GLU 24 HG2 GLU 24 0.279 2.538 9.499 208 HG3 GLU 24 HG3 GLU 24 -0.953 3.787 9.668 209 H VAL 25 H VAL 25 -1.845 5.472 5.735 210 HA VAL 25 HA VAL 25 -2.153 3.799 3.339 211 HB VAL 25 HB VAL 25 -3.453 6.494 3.761 212 HG11 VAL 25 HG11 VAL 25 -2.653 5.112 1.357 213 HG12 VAL 25 HG12 VAL 25 -4.399 5.351 1.405 214 HG13 VAL 25 HG13 VAL 25 -3.314 6.735 1.554 215 HG21 VAL 25 HG21 VAL 25 -4.435 4.240 4.703 216 HG22 VAL 25 HG22 VAL 25 -5.479 5.434 3.930 217 HG23 VAL 25 HG23 VAL 25 -4.938 4.019 3.027 218 H ARG 26 H ARG 26 -0.527 4.044 1.956 219 HA ARG 26 HA ARG 26 0.926 6.597 1.901 220 HB2 ARG 26 HB2 ARG 26 2.182 3.849 1.989 221 HB3 ARG 26 HB3 ARG 26 3.057 5.345 1.693 222 HG2 ARG 26 HG2 ARG 26 1.418 5.096 4.166 223 HG3 ARG 26 HG3 ARG 26 2.982 4.284 4.079 224 HD2 ARG 26 HD2 ARG 26 4.126 6.211 4.214 225 HD3 ARG 26 HD3 ARG 26 3.010 7.060 3.146 226 HE ARG 26 HE ARG 26 1.950 6.544 5.770 227 HH11 ARG 26 HH11 ARG 26 3.816 8.730 3.805 228 HH12 ARG 26 HH12 ARG 26 3.503 10.106 4.810 229 HH21 ARG 26 HH21 ARG 26 1.532 8.348 7.101 230 HH22 ARG 26 HH22 ARG 26 2.204 9.888 6.685 231 H VAL 27 H VAL 27 0.889 7.398 -0.084 232 HA VAL 27 HA VAL 27 0.358 5.639 -2.348 233 HB VAL 27 HB VAL 27 -1.002 7.620 -2.252 234 HG11 VAL 27 HG11 VAL 27 0.794 9.727 -2.776 235 HG12 VAL 27 HG12 VAL 27 -0.217 9.491 -1.350 236 HG13 VAL 27 HG13 VAL 27 1.426 8.852 -1.382 237 HG21 VAL 27 HG21 VAL 27 -0.331 6.853 -4.471 238 HG22 VAL 27 HG22 VAL 27 -0.522 8.606 -4.438 239 HG23 VAL 27 HG23 VAL 27 1.091 7.894 -4.408 240 H VAL 28 H VAL 28 1.799 5.136 -3.891 241 HA VAL 28 HA VAL 28 4.397 6.523 -3.867 242 HB VAL 28 HB VAL 28 5.556 4.458 -4.295 243 HG11 VAL 28 HG11 VAL 28 5.109 3.244 -2.186 244 HG12 VAL 28 HG12 VAL 28 5.220 4.990 -1.965 245 HG13 VAL 28 HG13 VAL 28 3.642 4.201 -1.977 246 HG21 VAL 28 HG21 VAL 28 3.942 2.338 -3.926 247 HG22 VAL 28 HG22 VAL 28 2.822 3.437 -4.731 248 HG23 VAL 28 HG23 VAL 28 4.339 2.995 -5.514 249 H THR 29 H THR 29 5.317 6.967 -5.827 250 HA THR 29 HA THR 29 3.813 6.135 -8.222 251 HB THR 29 HB THR 29 4.233 8.302 -9.244 252 HG1 THR 29 HG1 THR 29 6.069 9.075 -8.350 253 HG21 THR 29 HG21 THR 29 2.366 9.116 -8.328 254 HG22 THR 29 HG22 THR 29 2.470 7.820 -7.137 255 HG23 THR 29 HG23 THR 29 3.173 9.399 -6.785 256 H THR 30 H THR 30 6.911 6.963 -6.800 257 HA THR 30 HA THR 30 8.246 5.801 -9.158 258 HB THR 30 HB THR 30 10.072 7.338 -7.566 259 HG1 THR 30 HG1 THR 30 9.007 9.138 -7.243 260 HG21 THR 30 HG21 THR 30 10.201 8.627 -9.774 261 HG22 THR 30 HG22 THR 30 10.599 6.909 -9.817 262 HG23 THR 30 HG23 THR 30 9.023 7.464 -10.380 263 H GLU 31 H GLU 31 10.509 4.960 -8.559 264 HA GLU 31 HA GLU 31 10.193 2.873 -6.677 265 HB2 GLU 31 HB2 GLU 31 12.793 3.854 -7.857 266 HB3 GLU 31 HB3 GLU 31 12.451 2.252 -7.220 267 HG2 GLU 31 HG2 GLU 31 10.749 1.996 -9.042 268 HG3 GLU 31 HG3 GLU 31 11.366 3.497 -9.729 269 H GLU 32 H GLU 32 11.945 5.944 -6.592 270 HA GLU 32 HA GLU 32 13.224 5.538 -4.111 271 HB2 GLU 32 HB2 GLU 32 13.441 7.416 -6.015 272 HB3 GLU 32 HB3 GLU 32 12.432 8.295 -4.875 273 HG2 GLU 32 HG2 GLU 32 14.114 7.824 -3.112 274 HG3 GLU 32 HG3 GLU 32 15.142 7.102 -4.348 275 H ASP 33 H ASP 33 10.096 6.919 -4.979 276 HA ASP 33 HA ASP 33 9.385 7.932 -2.466 277 HB2 ASP 33 HB2 ASP 33 7.966 7.213 -4.956 278 HB3 ASP 33 HB3 ASP 33 6.977 7.218 -3.498 279 H ALA 34 H ALA 34 8.513 4.809 -3.951 280 HA ALA 34 HA ALA 34 7.127 3.720 -1.814 281 HB1 ALA 34 HB1 ALA 34 8.816 1.823 -3.299 282 HB2 ALA 34 HB2 ALA 34 7.072 1.830 -3.035 283 HB3 ALA 34 HB3 ALA 34 7.778 2.851 -4.289 284 H LYS 35 H LYS 35 10.606 3.701 -2.462 285 HA LYS 35 HA LYS 35 11.454 1.971 -0.475 286 HB2 LYS 35 HB2 LYS 35 12.880 3.006 -2.258 287 HB3 LYS 35 HB3 LYS 35 12.880 4.496 -1.325 288 HG2 LYS 35 HG2 LYS 35 13.936 3.285 0.547 289 HG3 LYS 35 HG3 LYS 35 14.007 1.840 -0.463 290 HD2 LYS 35 HD2 LYS 35 15.284 3.292 -2.137 291 HD3 LYS 35 HD3 LYS 35 15.460 4.447 -0.814 292 HE2 LYS 35 HE2 LYS 35 17.400 3.206 -0.636 293 HE3 LYS 35 HE3 LYS 35 16.338 2.395 0.514 294 HZ1 LYS 35 HZ1 LYS 35 16.690 0.530 -0.599 295 HZ2 LYS 35 HZ2 LYS 35 15.916 1.194 -1.950 296 HZ3 LYS 35 HZ3 LYS 35 17.594 1.337 -1.780 297 H GLN 36 H GLN 36 11.184 5.522 -0.251 298 HA GLN 36 HA GLN 36 11.841 5.759 2.443 299 HB2 GLN 36 HB2 GLN 36 10.127 7.448 0.634 300 HB3 GLN 36 HB3 GLN 36 10.430 7.894 2.309 301 HG2 GLN 36 HG2 GLN 36 12.682 8.279 1.935 302 HG3 GLN 36 HG3 GLN 36 12.705 7.309 0.464 303 HE21 GLN 36 HE21 GLN 36 13.846 9.288 -0.283 304 HE22 GLN 36 HE22 GLN 36 12.886 10.567 -0.938 305 H VAL 37 H VAL 37 8.804 4.933 0.906 306 HA VAL 37 HA VAL 37 7.179 5.223 3.226 307 HB VAL 37 HB VAL 37 6.724 3.628 0.701 308 HG11 VAL 37 HG11 VAL 37 4.841 4.284 2.962 309 HG12 VAL 37 HG12 VAL 37 4.337 3.647 1.397 310 HG13 VAL 37 HG13 VAL 37 5.374 2.683 2.449 311 HG21 VAL 37 HG21 VAL 37 5.350 5.468 -0.003 312 HG22 VAL 37 HG22 VAL 37 5.567 6.281 1.546 313 HG23 VAL 37 HG23 VAL 37 6.935 6.095 0.449 314 H VAL 38 H VAL 38 8.646 2.405 1.622 315 HA VAL 38 HA VAL 38 7.701 0.383 3.233 316 HB VAL 38 HB VAL 38 10.488 0.584 2.082 317 HG11 VAL 38 HG11 VAL 38 8.940 -1.634 3.335 318 HG12 VAL 38 HG12 VAL 38 10.057 -2.001 2.021 319 HG13 VAL 38 HG13 VAL 38 10.648 -1.224 3.490 320 HG21 VAL 38 HG21 VAL 38 7.948 0.410 0.809 321 HG22 VAL 38 HG22 VAL 38 9.553 0.394 0.077 322 HG23 VAL 38 HG23 VAL 38 8.797 -1.120 0.576 323 H LYS 39 H LYS 39 10.515 2.468 3.782 324 HA LYS 39 HA LYS 39 11.305 1.205 6.205 325 HB2 LYS 39 HB2 LYS 39 12.556 2.887 4.551 326 HB3 LYS 39 HB3 LYS 39 11.972 4.065 5.720 327 HG2 LYS 39 HG2 LYS 39 13.174 3.049 7.485 328 HG3 LYS 39 HG3 LYS 39 13.537 1.624 6.510 329 HD2 LYS 39 HD2 LYS 39 15.460 2.600 5.955 330 HD3 LYS 39 HD3 LYS 39 14.521 3.779 5.037 331 HE2 LYS 39 HE2 LYS 39 15.189 4.041 7.965 332 HE3 LYS 39 HE3 LYS 39 16.118 4.785 6.666 333 HZ1 LYS 39 HZ1 LYS 39 13.602 5.583 7.812 334 HZ2 LYS 39 HZ2 LYS 39 14.738 6.497 6.953 335 HZ3 LYS 39 HZ3 LYS 39 13.594 5.570 6.119 336 H GLU 40 H GLU 40 9.312 4.022 5.444 337 HA GLU 40 HA GLU 40 8.975 5.013 8.032 338 HB2 GLU 40 HB2 GLU 40 8.101 5.752 5.561 339 HB3 GLU 40 HB3 GLU 40 6.608 5.170 6.284 340 HG2 GLU 40 HG2 GLU 40 6.568 6.819 7.873 341 HG3 GLU 40 HG3 GLU 40 8.314 7.054 7.828 342 H VAL 41 H VAL 41 6.955 2.710 6.219 343 HA VAL 41 HA VAL 41 5.133 2.246 8.342 344 HB VAL 41 HB VAL 41 4.394 0.291 7.040 345 HG11 VAL 41 HG11 VAL 41 4.181 1.726 4.777 346 HG12 VAL 41 HG12 VAL 41 3.221 2.041 6.222 347 HG13 VAL 41 HG13 VAL 41 4.666 2.998 5.897 348 HG21 VAL 41 HG21 VAL 41 5.459 -0.150 4.841 349 HG22 VAL 41 HG22 VAL 41 6.753 0.964 5.286 350 HG23 VAL 41 HG23 VAL 41 6.506 -0.516 6.213 351 H GLN 42 H GLN 42 8.134 0.717 7.342 352 HA GLN 42 HA GLN 42 8.011 -1.627 8.830 353 HB2 GLN 42 HB2 GLN 42 10.099 -0.030 7.553 354 HB3 GLN 42 HB3 GLN 42 10.673 -0.910 8.963 355 HG2 GLN 42 HG2 GLN 42 9.036 -2.387 6.981 356 HG3 GLN 42 HG3 GLN 42 10.690 -1.962 6.541 357 HE21 GLN 42 HE21 GLN 42 8.797 -4.271 7.928 358 HE22 GLN 42 HE22 GLN 42 9.996 -5.117 8.838 359 H LYS 43 H LYS 43 9.018 1.616 9.796 360 HA LYS 43 HA LYS 43 9.799 0.815 12.437 361 HB2 LYS 43 HB2 LYS 43 9.711 3.309 10.880 362 HB3 LYS 43 HB3 LYS 43 9.414 3.520 12.600 363 HG2 LYS 43 HG2 LYS 43 11.517 2.616 13.173 364 HG3 LYS 43 HG3 LYS 43 11.780 2.003 11.539 365 HD2 LYS 43 HD2 LYS 43 13.080 3.899 11.505 366 HD3 LYS 43 HD3 LYS 43 11.553 4.533 10.886 367 HE2 LYS 43 HE2 LYS 43 11.302 4.764 13.630 368 HE3 LYS 43 HE3 LYS 43 12.990 5.176 13.330 369 HZ1 LYS 43 HZ1 LYS 43 10.555 6.536 12.411 370 HZ2 LYS 43 HZ2 LYS 43 11.972 7.193 13.061 371 HZ3 LYS 43 HZ3 LYS 43 11.953 6.636 11.463 372 H LYS 44 H LYS 44 6.915 2.154 10.945 373 HA LYS 44 HA LYS 44 5.544 2.780 13.344 374 HB2 LYS 44 HB2 LYS 44 5.069 3.049 10.589 375 HB3 LYS 44 HB3 LYS 44 3.754 2.052 11.196 376 HG2 LYS 44 HG2 LYS 44 3.062 4.328 11.281 377 HG3 LYS 44 HG3 LYS 44 3.333 3.780 12.937 378 HD2 LYS 44 HD2 LYS 44 5.235 5.060 13.188 379 HD3 LYS 44 HD3 LYS 44 5.557 5.110 11.453 380 HE2 LYS 44 HE2 LYS 44 3.914 6.742 11.085 381 HE3 LYS 44 HE3 LYS 44 3.152 6.451 12.648 382 HZ1 LYS 44 HZ1 LYS 44 5.903 7.279 12.835 383 HZ2 LYS 44 HZ2 LYS 44 4.902 8.437 12.115 384 HZ3 LYS 44 HZ3 LYS 44 4.542 7.852 13.661 385 H GLY 45 H GLY 45 5.711 -0.112 11.330 386 HA2 GLY 45 HA2 GLY 45 5.539 -2.270 12.432 387 HA3 GLY 45 HA3 GLY 45 4.319 -1.571 13.486 388 H VAL 46 H VAL 46 4.936 -2.232 10.043 389 HA VAL 46 HA VAL 46 2.054 -2.507 9.608 390 HB VAL 46 HB VAL 46 3.420 -1.125 8.034 391 HG11 VAL 46 HG11 VAL 46 4.977 -2.075 6.560 392 HG12 VAL 46 HG12 VAL 46 5.377 -2.763 8.134 393 HG13 VAL 46 HG13 VAL 46 4.479 -3.719 6.955 394 HG21 VAL 46 HG21 VAL 46 2.143 -3.524 6.728 395 HG22 VAL 46 HG22 VAL 46 1.244 -2.176 7.426 396 HG23 VAL 46 HG23 VAL 46 2.315 -1.904 6.052 397 H GLN 47 H GLN 47 1.194 -4.349 8.500 398 HA GLN 47 HA GLN 47 2.823 -6.782 8.832 399 HB2 GLN 47 HB2 GLN 47 1.138 -6.827 10.523 400 HB3 GLN 47 HB3 GLN 47 -0.111 -6.347 9.381 401 HG2 GLN 47 HG2 GLN 47 -0.312 -8.691 9.919 402 HG3 GLN 47 HG3 GLN 47 0.126 -8.485 8.224 403 HE21 GLN 47 HE21 GLN 47 1.040 -9.757 11.270 404 HE22 GLN 47 HE22 GLN 47 2.512 -10.509 10.768 405 H LYS 48 H LYS 48 0.418 -5.084 6.928 406 HA LYS 48 HA LYS 48 0.904 -6.987 4.732 407 HB2 LYS 48 HB2 LYS 48 -1.635 -5.858 5.783 408 HB3 LYS 48 HB3 LYS 48 -1.495 -6.015 4.038 409 HG2 LYS 48 HG2 LYS 48 -1.024 -8.276 5.964 410 HG3 LYS 48 HG3 LYS 48 -2.570 -7.950 5.177 411 HD2 LYS 48 HD2 LYS 48 -1.838 -8.657 3.141 412 HD3 LYS 48 HD3 LYS 48 -0.178 -8.134 3.436 413 HE2 LYS 48 HE2 LYS 48 -0.236 -10.536 3.346 414 HE3 LYS 48 HE3 LYS 48 0.089 -10.035 5.004 415 HZ1 LYS 48 HZ1 LYS 48 -2.691 -10.276 4.625 416 HZ2 LYS 48 HZ2 LYS 48 -1.942 -11.700 4.100 417 HZ3 LYS 48 HZ3 LYS 48 -1.688 -11.143 5.677 418 H VAL 49 H VAL 49 0.512 -6.030 2.554 419 HA VAL 49 HA VAL 49 0.856 -3.133 2.414 420 HB VAL 49 HB VAL 49 2.777 -5.024 1.048 421 HG11 VAL 49 HG11 VAL 49 3.382 -3.310 -0.230 422 HG12 VAL 49 HG12 VAL 49 2.018 -2.399 0.418 423 HG13 VAL 49 HG13 VAL 49 3.605 -2.277 1.181 424 HG21 VAL 49 HG21 VAL 49 4.471 -4.103 2.566 425 HG22 VAL 49 HG22 VAL 49 3.216 -3.188 3.403 426 HG23 VAL 49 HG23 VAL 49 3.199 -4.951 3.445 427 H VAL 50 H VAL 50 -0.751 -2.535 1.119 428 HA VAL 50 HA VAL 50 -1.319 -4.170 -1.267 429 HB VAL 50 HB VAL 50 -3.183 -2.313 0.218 430 HG11 VAL 50 HG11 VAL 50 -4.691 -3.888 -1.463 431 HG12 VAL 50 HG12 VAL 50 -4.255 -2.201 -1.738 432 HG13 VAL 50 HG13 VAL 50 -3.278 -3.490 -2.442 433 HG21 VAL 50 HG21 VAL 50 -3.819 -4.051 1.453 434 HG22 VAL 50 HG22 VAL 50 -4.031 -5.058 0.021 435 HG23 VAL 50 HG23 VAL 50 -2.450 -4.948 0.795 436 H VAL 51 H VAL 51 -1.410 -3.211 -3.252 437 HA VAL 51 HA VAL 51 -1.017 -0.304 -3.400 438 HB VAL 51 HB VAL 51 0.690 -0.522 -5.100 439 HG11 VAL 51 HG11 VAL 51 2.251 -0.588 -3.518 440 HG12 VAL 51 HG12 VAL 51 1.018 -1.169 -2.399 441 HG13 VAL 51 HG13 VAL 51 2.017 -2.321 -3.287 442 HG21 VAL 51 HG21 VAL 51 -0.076 -2.611 -6.112 443 HG22 VAL 51 HG22 VAL 51 1.640 -2.690 -5.710 444 HG23 VAL 51 HG23 VAL 51 0.456 -3.503 -4.686 445 H VAL 52 H VAL 52 -1.800 0.686 -5.274 446 HA VAL 52 HA VAL 52 -3.440 -1.034 -7.018 447 HB VAL 52 HB VAL 52 -4.140 1.746 -6.064 448 HG11 VAL 52 HG11 VAL 52 -6.403 0.884 -7.138 449 HG12 VAL 52 HG12 VAL 52 -5.167 1.697 -8.099 450 HG13 VAL 52 HG13 VAL 52 -5.286 -0.063 -8.122 451 HG21 VAL 52 HG21 VAL 52 -4.537 -0.798 -4.853 452 HG22 VAL 52 HG22 VAL 52 -5.094 0.782 -4.305 453 HG23 VAL 52 HG23 VAL 52 -6.102 -0.182 -5.383 454 H GLY 53 H GLY 53 -3.386 -0.637 -9.187 455 HA2 GLY 53 HA2 GLY 53 -2.626 0.189 -11.189 456 HA3 GLY 53 HA3 GLY 53 -2.530 1.755 -10.396 457 H VAL 54 H VAL 54 -0.718 -0.692 -8.877 458 HA VAL 54 HA VAL 54 1.752 0.504 -9.918 459 HB VAL 54 HB VAL 54 1.388 -1.243 -7.480 460 HG11 VAL 54 HG11 VAL 54 3.633 -1.373 -8.355 461 HG12 VAL 54 HG12 VAL 54 3.731 0.385 -8.457 462 HG13 VAL 54 HG13 VAL 54 3.636 -0.402 -6.882 463 HG21 VAL 54 HG21 VAL 54 1.475 1.747 -7.799 464 HG22 VAL 54 HG22 VAL 54 0.227 0.765 -7.034 465 HG23 VAL 54 HG23 VAL 54 1.804 0.942 -6.265 466 H SER 55 H SER 55 3.355 -0.698 -10.852 467 HA SER 55 HA SER 55 2.616 -3.102 -12.150 468 HB2 SER 55 HB2 SER 55 5.258 -1.675 -11.844 469 HB3 SER 55 HB3 SER 55 5.089 -3.166 -12.771 470 HG SER 55 HG SER 55 4.240 -2.058 -14.333 471 H GLU 56 H GLU 56 3.244 -5.215 -11.810 472 HA GLU 56 HA GLU 56 3.653 -5.992 -9.107 473 HB2 GLU 56 HB2 GLU 56 3.711 -8.279 -9.980 474 HB3 GLU 56 HB3 GLU 56 2.368 -7.373 -10.663 475 HG2 GLU 56 HG2 GLU 56 3.938 -6.918 -12.637 476 HG3 GLU 56 HG3 GLU 56 4.916 -8.229 -11.978 477 H LYS 57 H LYS 57 5.736 -5.770 -11.937 478 HA LYS 57 HA LYS 57 7.975 -7.112 -10.919 479 HB2 LYS 57 HB2 LYS 57 9.244 -5.993 -12.647 480 HB3 LYS 57 HB3 LYS 57 7.679 -6.470 -13.293 481 HG2 LYS 57 HG2 LYS 57 6.949 -4.072 -12.705 482 HG3 LYS 57 HG3 LYS 57 8.680 -3.736 -12.608 483 HD2 LYS 57 HD2 LYS 57 9.007 -4.066 -14.857 484 HD3 LYS 57 HD3 LYS 57 7.630 -5.161 -15.006 485 HE2 LYS 57 HE2 LYS 57 6.147 -3.471 -15.308 486 HE3 LYS 57 HE3 LYS 57 7.027 -2.366 -14.252 487 HZ1 LYS 57 HZ1 LYS 57 7.697 -3.067 -17.057 488 HZ2 LYS 57 HZ2 LYS 57 7.174 -1.565 -16.477 489 HZ3 LYS 57 HZ3 LYS 57 8.701 -2.154 -16.047 490 H VAL 58 H VAL 58 6.879 -3.793 -10.540 491 HA VAL 58 HA VAL 58 9.258 -2.826 -9.309 492 HB VAL 58 HB VAL 58 6.447 -1.730 -9.136 493 HG11 VAL 58 HG11 VAL 58 7.530 -0.634 -7.430 494 HG12 VAL 58 HG12 VAL 58 9.101 -0.722 -8.225 495 HG13 VAL 58 HG13 VAL 58 7.890 0.428 -8.791 496 HG21 VAL 58 HG21 VAL 58 7.051 -0.274 -10.951 497 HG22 VAL 58 HG22 VAL 58 8.696 -0.909 -10.969 498 HG23 VAL 58 HG23 VAL 58 7.347 -1.942 -11.443 499 H VAL 59 H VAL 59 6.051 -3.621 -7.959 500 HA VAL 59 HA VAL 59 6.794 -3.339 -5.263 501 HB VAL 59 HB VAL 59 4.766 -4.642 -4.739 502 HG11 VAL 59 HG11 VAL 59 3.561 -2.801 -5.085 503 HG12 VAL 59 HG12 VAL 59 4.936 -2.171 -5.993 504 HG13 VAL 59 HG13 VAL 59 3.629 -3.003 -6.836 505 HG21 VAL 59 HG21 VAL 59 3.328 -5.283 -6.746 506 HG22 VAL 59 HG22 VAL 59 4.808 -5.164 -7.699 507 HG23 VAL 59 HG23 VAL 59 4.700 -6.326 -6.376 508 H GLN 60 H GLN 60 6.933 -6.073 -7.468 509 HA GLN 60 HA GLN 60 7.378 -8.134 -5.653 510 HB2 GLN 60 HB2 GLN 60 6.963 -8.568 -8.004 511 HB3 GLN 60 HB3 GLN 60 8.468 -7.775 -8.449 512 HG2 GLN 60 HG2 GLN 60 9.773 -9.513 -7.611 513 HG3 GLN 60 HG3 GLN 60 8.450 -10.163 -6.646 514 HE21 GLN 60 HE21 GLN 60 10.133 -11.534 -8.551 515 HE22 GLN 60 HE22 GLN 60 9.086 -12.170 -9.768 516 H LYS 61 H LYS 61 9.771 -6.101 -7.331 517 HA LYS 61 HA LYS 61 12.060 -7.210 -6.181 518 HB2 LYS 61 HB2 LYS 61 11.439 -4.516 -7.351 519 HB3 LYS 61 HB3 LYS 61 13.009 -4.827 -6.622 520 HG2 LYS 61 HG2 LYS 61 12.590 -6.991 -8.310 521 HG3 LYS 61 HG3 LYS 61 11.989 -5.596 -9.210 522 HD2 LYS 61 HD2 LYS 61 14.235 -5.645 -9.788 523 HD3 LYS 61 HD3 LYS 61 14.204 -4.473 -8.469 524 HE2 LYS 61 HE2 LYS 61 14.679 -6.550 -6.975 525 HE3 LYS 61 HE3 LYS 61 15.210 -7.291 -8.484 526 HZ1 LYS 61 HZ1 LYS 61 17.119 -6.351 -7.550 527 HZ2 LYS 61 HZ2 LYS 61 16.657 -5.246 -8.745 528 HZ3 LYS 61 HZ3 LYS 61 16.330 -4.919 -7.118 529 H VAL 62 H VAL 62 10.552 -4.104 -5.270 530 HA VAL 62 HA VAL 62 11.977 -3.627 -2.963 531 HB VAL 62 HB VAL 62 9.052 -2.984 -3.357 532 HG11 VAL 62 HG11 VAL 62 11.181 -1.857 -1.555 533 HG12 VAL 62 HG12 VAL 62 9.677 -1.007 -1.913 534 HG13 VAL 62 HG13 VAL 62 9.634 -2.572 -1.101 535 HG21 VAL 62 HG21 VAL 62 11.550 -1.664 -4.365 536 HG22 VAL 62 HG22 VAL 62 10.088 -2.098 -5.252 537 HG23 VAL 62 HG23 VAL 62 10.064 -0.747 -4.119 538 H LYS 63 H LYS 63 8.853 -5.320 -3.225 539 HA LYS 63 HA LYS 63 8.449 -5.924 -0.563 540 HB2 LYS 63 HB2 LYS 63 6.709 -6.399 -2.108 541 HB3 LYS 63 HB3 LYS 63 7.745 -7.449 -3.065 542 HG2 LYS 63 HG2 LYS 63 7.518 -8.366 -0.329 543 HG3 LYS 63 HG3 LYS 63 5.945 -8.230 -1.119 544 HD2 LYS 63 HD2 LYS 63 7.370 -9.413 -3.081 545 HD3 LYS 63 HD3 LYS 63 8.192 -10.063 -1.661 546 HE2 LYS 63 HE2 LYS 63 5.350 -10.146 -1.273 547 HE3 LYS 63 HE3 LYS 63 5.768 -10.921 -2.801 548 HZ1 LYS 63 HZ1 LYS 63 5.777 -12.451 -0.885 549 HZ2 LYS 63 HZ2 LYS 63 7.277 -12.369 -1.665 550 HZ3 LYS 63 HZ3 LYS 63 7.042 -11.562 -0.196 551 H GLN 64 H GLN 64 10.437 -7.623 -2.936 552 HA GLN 64 HA GLN 64 11.056 -9.889 -1.429 553 HB2 GLN 64 HB2 GLN 64 11.569 -9.548 -3.855 554 HB3 GLN 64 HB3 GLN 64 12.887 -8.484 -3.380 555 HG2 GLN 64 HG2 GLN 64 12.982 -11.071 -2.054 556 HG3 GLN 64 HG3 GLN 64 13.059 -11.188 -3.812 557 HE21 GLN 64 HE21 GLN 64 14.587 -9.500 -4.801 558 HE22 GLN 64 HE22 GLN 64 16.127 -9.347 -4.034 559 H GLU 65 H GLU 65 12.690 -6.744 -1.599 560 HA GLU 65 HA GLU 65 14.578 -7.538 0.459 561 HB2 GLU 65 HB2 GLU 65 14.228 -4.884 -0.947 562 HB3 GLU 65 HB3 GLU 65 15.557 -5.312 0.121 563 HG2 GLU 65 HG2 GLU 65 15.544 -7.329 -1.771 564 HG3 GLU 65 HG3 GLU 65 15.186 -5.868 -2.691 565 H ALA 66 H ALA 66 11.464 -6.570 0.492 566 HA ALA 66 HA ALA 66 11.710 -4.837 2.841 567 HB1 ALA 66 HB1 ALA 66 9.419 -4.261 2.514 568 HB2 ALA 66 HB2 ALA 66 10.214 -4.191 0.942 569 HB3 ALA 66 HB3 ALA 66 9.195 -5.571 1.354 570 H ASN 67 H ASN 67 10.737 -8.032 1.878 571 HA ASN 67 HA ASN 67 10.233 -9.891 3.091 572 HB2 ASN 67 HB2 ASN 67 11.972 -8.638 4.689 573 HB3 ASN 67 HB3 ASN 67 10.544 -8.517 5.713 574 HD21 ASN 67 HD21 ASN 67 13.174 -10.181 5.539 575 HD22 ASN 67 HD22 ASN 67 12.635 -11.772 5.945 576 H VAL 68 H VAL 68 8.129 -8.502 2.178 577 HA VAL 68 HA VAL 68 6.138 -8.942 4.274 578 HB VAL 68 HB VAL 68 4.944 -6.878 3.759 579 HG11 VAL 68 HG11 VAL 68 6.528 -5.277 4.770 580 HG12 VAL 68 HG12 VAL 68 6.498 -6.828 5.608 581 HG13 VAL 68 HG13 VAL 68 7.829 -6.440 4.518 582 HG21 VAL 68 HG21 VAL 68 5.379 -6.220 1.614 583 HG22 VAL 68 HG22 VAL 68 6.466 -5.135 2.480 584 HG23 VAL 68 HG23 VAL 68 7.098 -6.601 1.729 585 H GLN 69 H GLN 69 3.857 -8.700 3.262 586 HA GLN 69 HA GLN 69 3.898 -10.180 0.729 587 HB2 GLN 69 HB2 GLN 69 2.173 -10.205 3.118 588 HB3 GLN 69 HB3 GLN 69 1.319 -10.335 1.587 589 HG2 GLN 69 HG2 GLN 69 2.199 -12.378 1.105 590 HG3 GLN 69 HG3 GLN 69 3.682 -12.077 2.010 591 HE21 GLN 69 HE21 GLN 69 0.704 -13.610 2.009 592 HE22 GLN 69 HE22 GLN 69 0.650 -14.073 3.673 593 H VAL 70 H VAL 70 3.012 -9.388 -1.088 594 HA VAL 70 HA VAL 70 1.896 -6.680 -0.969 595 HB VAL 70 HB VAL 70 2.940 -8.257 -3.324 596 HG11 VAL 70 HG11 VAL 70 1.655 -6.879 -4.530 597 HG12 VAL 70 HG12 VAL 70 1.338 -5.823 -3.153 598 HG13 VAL 70 HG13 VAL 70 2.819 -5.629 -4.091 599 HG21 VAL 70 HG21 VAL 70 4.310 -5.796 -2.760 600 HG22 VAL 70 HG22 VAL 70 4.299 -6.829 -1.332 601 HG23 VAL 70 HG23 VAL 70 4.952 -7.435 -2.854 602 H TYR 71 H TYR 71 -0.172 -6.256 -1.434 603 HA TYR 71 HA TYR 71 -1.800 -8.425 -2.589 604 HB2 TYR 71 HB2 TYR 71 -2.300 -6.641 -0.248 605 HB3 TYR 71 HB3 TYR 71 -3.674 -7.139 -1.227 606 HD1 TYR 71 HD1 TYR 71 -0.617 -8.807 0.151 607 HD2 TYR 71 HD2 TYR 71 -4.843 -8.907 -0.338 608 HE1 TYR 71 HE1 TYR 71 -0.701 -10.943 1.367 609 HE2 TYR 71 HE2 TYR 71 -4.939 -11.043 0.877 610 HH TYR 71 HH TYR 71 -2.472 -13.007 1.342 611 H ARG 72 H ARG 72 -0.863 -7.014 -4.493 612 HA ARG 72 HA ARG 72 -1.673 -4.519 -5.182 613 HB2 ARG 72 HB2 ARG 72 -1.670 -5.266 -7.538 614 HB3 ARG 72 HB3 ARG 72 -0.280 -5.864 -6.641 615 HG2 ARG 72 HG2 ARG 72 -0.775 -7.904 -7.337 616 HG3 ARG 72 HG3 ARG 72 -2.260 -7.829 -6.386 617 HD2 ARG 72 HD2 ARG 72 -3.184 -6.534 -8.449 618 HD3 ARG 72 HD3 ARG 72 -1.839 -7.294 -9.297 619 HE ARG 72 HE ARG 72 -4.242 -8.563 -8.371 620 HH11 ARG 72 HH11 ARG 72 -0.899 -9.042 -9.215 621 HH12 ARG 72 HH12 ARG 72 -1.098 -10.722 -9.585 622 HH21 ARG 72 HH21 ARG 72 -4.517 -10.776 -8.856 623 HH22 ARG 72 HH22 ARG 72 -3.155 -11.708 -9.382 624 H VAL 73 H VAL 73 -3.437 -3.654 -6.414 625 HA VAL 73 HA VAL 73 -5.914 -5.215 -6.390 626 HB VAL 73 HB VAL 73 -5.592 -2.503 -5.107 627 HG11 VAL 73 HG11 VAL 73 -7.977 -3.868 -6.215 628 HG12 VAL 73 HG12 VAL 73 -8.159 -3.050 -4.663 629 HG13 VAL 73 HG13 VAL 73 -7.615 -2.147 -6.077 630 HG21 VAL 73 HG21 VAL 73 -6.578 -3.665 -3.148 631 HG22 VAL 73 HG22 VAL 73 -6.497 -5.179 -4.050 632 HG23 VAL 73 HG23 VAL 73 -5.014 -4.320 -3.634 633 H THR 74 H THR 74 -7.335 -4.716 -8.012 634 HA THR 74 HA THR 74 -6.440 -2.659 -9.925 635 HB THR 74 HB THR 74 -8.019 -4.204 -11.463 636 HG1 THR 74 HG1 THR 74 -7.528 -6.407 -10.900 637 HG21 THR 74 HG21 THR 74 -5.337 -3.624 -11.305 638 HG22 THR 74 HG22 THR 74 -5.357 -5.386 -11.227 639 HG23 THR 74 HG23 THR 74 -6.110 -4.555 -12.588 640 H SER 75 H SER 75 -9.173 -4.062 -8.238 641 HA SER 75 HA SER 75 -10.880 -1.896 -9.276 642 HB2 SER 75 HB2 SER 75 -12.746 -3.291 -9.144 643 HB3 SER 75 HB3 SER 75 -11.483 -4.405 -9.665 644 HG SER 75 HG SER 75 -12.890 -5.049 -7.823 645 H ASN 76 H ASN 76 -12.237 -0.786 -7.826 646 HA ASN 76 HA ASN 76 -11.115 -0.132 -5.356 647 HB2 ASN 76 HB2 ASN 76 -13.151 1.134 -4.936 648 HB3 ASN 76 HB3 ASN 76 -12.662 1.334 -6.616 649 HD21 ASN 76 HD21 ASN 76 -13.903 0.439 -8.242 650 HD22 ASN 76 HD22 ASN 76 -15.504 -0.151 -7.970 651 H ASP 77 H ASP 77 -13.538 -2.510 -6.219 652 HA ASP 77 HA ASP 77 -14.535 -3.067 -3.656 653 HB2 ASP 77 HB2 ASP 77 -14.788 -4.155 -6.287 654 HB3 ASP 77 HB3 ASP 77 -14.485 -5.478 -5.165 655 H GLU 78 H GLU 78 -11.583 -3.990 -5.242 656 HA GLU 78 HA GLU 78 -10.948 -6.139 -3.456 657 HB2 GLU 78 HB2 GLU 78 -9.699 -4.814 -5.758 658 HB3 GLU 78 HB3 GLU 78 -8.550 -5.358 -4.543 659 HG2 GLU 78 HG2 GLU 78 -8.900 -7.532 -4.987 660 HG3 GLU 78 HG3 GLU 78 -10.622 -7.307 -5.287 661 H VAL 79 H VAL 79 -10.398 -2.698 -3.536 662 HA VAL 79 HA VAL 79 -8.334 -2.621 -1.579 663 HB VAL 79 HB VAL 79 -10.276 -0.464 -2.419 664 HG11 VAL 79 HG11 VAL 79 -7.715 -0.279 -0.838 665 HG12 VAL 79 HG12 VAL 79 -8.638 1.095 -1.448 666 HG13 VAL 79 HG13 VAL 79 -9.344 0.025 -0.235 667 HG21 VAL 79 HG21 VAL 79 -8.122 0.346 -3.597 668 HG22 VAL 79 HG22 VAL 79 -7.586 -1.324 -3.413 669 HG23 VAL 79 HG23 VAL 79 -9.049 -0.964 -4.328 670 H GLU 80 H GLU 80 -11.841 -2.029 -1.415 671 HA GLU 80 HA GLU 80 -11.871 -1.597 1.392 672 HB2 GLU 80 HB2 GLU 80 -13.621 -0.789 -0.202 673 HB3 GLU 80 HB3 GLU 80 -14.168 -2.450 -0.375 674 HG2 GLU 80 HG2 GLU 80 -14.488 -2.435 2.149 675 HG3 GLU 80 HG3 GLU 80 -14.302 -0.686 2.043 676 H GLN 81 H GLN 81 -12.124 -4.423 -0.636 677 HA GLN 81 HA GLN 81 -13.189 -6.182 1.319 678 HB2 GLN 81 HB2 GLN 81 -13.318 -6.708 -1.053 679 HB3 GLN 81 HB3 GLN 81 -11.563 -6.755 -1.164 680 HG2 GLN 81 HG2 GLN 81 -11.523 -8.678 0.346 681 HG3 GLN 81 HG3 GLN 81 -13.283 -8.636 0.438 682 HE21 GLN 81 HE21 GLN 81 -11.200 -10.577 -0.645 683 HE22 GLN 81 HE22 GLN 81 -11.795 -10.981 -2.216 684 H VAL 82 H VAL 82 -9.869 -5.732 0.101 685 HA VAL 82 HA VAL 82 -8.635 -7.528 1.868 686 HB VAL 82 HB VAL 82 -7.535 -6.634 -0.153 687 HG11 VAL 82 HG11 VAL 82 -6.565 -4.414 -0.164 688 HG12 VAL 82 HG12 VAL 82 -8.308 -4.304 0.083 689 HG13 VAL 82 HG13 VAL 82 -7.210 -4.096 1.446 690 HG21 VAL 82 HG21 VAL 82 -6.358 -7.466 2.063 691 HG22 VAL 82 HG22 VAL 82 -5.425 -6.858 0.696 692 HG23 VAL 82 HG23 VAL 82 -5.749 -5.812 2.078 693 H VAL 83 H VAL 83 -9.437 -4.115 2.185 694 HA VAL 83 HA VAL 83 -8.014 -3.744 4.639 695 HB VAL 83 HB VAL 83 -10.181 -2.088 3.341 696 HG11 VAL 83 HG11 VAL 83 -10.380 -1.249 5.431 697 HG12 VAL 83 HG12 VAL 83 -8.797 -1.837 5.937 698 HG13 VAL 83 HG13 VAL 83 -8.924 -0.363 4.975 699 HG21 VAL 83 HG21 VAL 83 -8.571 -1.011 2.201 700 HG22 VAL 83 HG22 VAL 83 -7.444 -1.053 3.556 701 HG23 VAL 83 HG23 VAL 83 -7.618 -2.462 2.509 702 H LYS 84 H LYS 84 -11.431 -4.217 3.791 703 HA LYS 84 HA LYS 84 -12.627 -3.961 6.240 704 HB2 LYS 84 HB2 LYS 84 -13.959 -4.357 4.286 705 HB3 LYS 84 HB3 LYS 84 -13.212 -5.928 4.026 706 HG2 LYS 84 HG2 LYS 84 -14.459 -6.946 5.637 707 HG3 LYS 84 HG3 LYS 84 -14.640 -5.470 6.588 708 HD2 LYS 84 HD2 LYS 84 -16.056 -4.648 4.576 709 HD3 LYS 84 HD3 LYS 84 -16.156 -6.360 4.162 710 HE2 LYS 84 HE2 LYS 84 -17.162 -6.869 6.284 711 HE3 LYS 84 HE3 LYS 84 -16.910 -5.218 6.849 712 HZ1 LYS 84 HZ1 LYS 84 -18.329 -4.903 4.553 713 HZ2 LYS 84 HZ2 LYS 84 -19.019 -6.290 5.230 714 HZ3 LYS 84 HZ3 LYS 84 -18.967 -4.852 6.119 715 H ASP 85 H ASP 85 -11.577 -7.100 4.903 716 HA ASP 85 HA ASP 85 -11.797 -8.441 7.395 717 HB2 ASP 85 HB2 ASP 85 -11.851 -9.452 5.033 718 HB3 ASP 85 HB3 ASP 85 -10.092 -9.373 5.093 719 H VAL 86 H VAL 86 -9.232 -6.701 5.805 720 HA VAL 86 HA VAL 86 -7.226 -5.943 6.588 721 HB VAL 86 HB VAL 86 -7.849 -7.287 9.216 722 HG11 VAL 86 HG11 VAL 86 -6.112 -4.921 8.518 723 HG12 VAL 86 HG12 VAL 86 -6.376 -5.569 10.138 724 HG13 VAL 86 HG13 VAL 86 -5.541 -6.539 8.925 725 HG21 VAL 86 HG21 VAL 86 -9.717 -5.834 8.526 726 HG22 VAL 86 HG22 VAL 86 -8.868 -5.213 9.942 727 HG23 VAL 86 HG23 VAL 86 -8.587 -4.490 8.358 728 H LYS 87 H LYS 87 -7.597 -8.994 8.391 729 HA LYS 87 HA LYS 87 -5.004 -9.907 7.994 730 HB2 LYS 87 HB2 LYS 87 -6.691 -10.820 9.620 731 HB3 LYS 87 HB3 LYS 87 -7.450 -11.658 8.273 732 HG2 LYS 87 HG2 LYS 87 -5.299 -12.832 7.867 733 HG3 LYS 87 HG3 LYS 87 -4.665 -12.079 9.332 734 HD2 LYS 87 HD2 LYS 87 -5.405 -14.239 9.961 735 HD3 LYS 87 HD3 LYS 87 -6.622 -13.108 10.557 736 HE2 LYS 87 HE2 LYS 87 -7.042 -14.200 7.842 737 HE3 LYS 87 HE3 LYS 87 -7.221 -15.332 9.182 738 HZ1 LYS 87 HZ1 LYS 87 -8.542 -12.830 9.649 739 HZ2 LYS 87 HZ2 LYS 87 -9.133 -13.629 8.281 740 HZ3 LYS 87 HZ3 LYS 87 -9.139 -14.407 9.782 741 H GLY 88 H GLY 88 -7.872 -11.287 6.374 742 HA2 GLY 88 HA2 GLY 88 -7.721 -11.175 3.842 743 HA3 GLY 88 HA3 GLY 88 -6.129 -11.886 4.068 744 H SER 89 H SER 89 -8.461 -12.903 2.599 745 HA SER 89 HA SER 89 -8.298 -15.611 3.381 746 HB2 SER 89 HB2 SER 89 -9.774 -15.003 5.196 747 HB3 SER 89 HB3 SER 89 -10.865 -14.174 4.088 748 HG SER 89 HG SER 89 -11.308 -16.481 4.812 749 H GLY 90 H GLY 90 -7.985 -16.152 1.282 750 HA2 GLY 90 HA2 GLY 90 -10.315 -15.942 -0.475 751 HA3 GLY 90 HA3 GLY 90 -8.803 -15.255 -1.051 752 H LEU 91 H LEU 91 -8.034 -16.564 -2.574 753 HA LEU 91 HA LEU 91 -7.262 -18.420 -3.635 754 HB2 LEU 91 HB2 LEU 91 -6.570 -18.701 -0.904 755 HB3 LEU 91 HB3 LEU 91 -7.086 -20.283 -1.483 756 HG LEU 91 HG LEU 91 -5.419 -19.784 -3.438 757 HD11 LEU 91 HD11 LEU 91 -4.635 -17.663 -3.138 758 HD12 LEU 91 HD12 LEU 91 -4.734 -17.752 -1.380 759 HD13 LEU 91 HD13 LEU 91 -3.418 -18.560 -2.232 760 HD21 LEU 91 HD21 LEU 91 -4.806 -20.691 -0.649 761 HD22 LEU 91 HD22 LEU 91 -4.992 -21.648 -2.119 762 HD23 LEU 91 HD23 LEU 91 -3.549 -20.660 -1.888 763 H GLU 92 H GLU 92 -8.986 -19.042 -4.851 764 HA GLU 92 HA GLU 92 -11.346 -20.213 -3.924 765 HB2 GLU 92 HB2 GLU 92 -10.128 -19.649 -6.465 766 HB3 GLU 92 HB3 GLU 92 -10.839 -21.257 -6.500 767 HG2 GLU 92 HG2 GLU 92 -12.828 -20.359 -6.822 768 HG3 GLU 92 HG3 GLU 92 -12.712 -19.554 -5.258 769 H HIS 93 H HIS 93 -12.101 -22.432 -4.264 770 HA HIS 93 HA HIS 93 -10.351 -24.313 -3.064 771 HB2 HIS 93 HB2 HIS 93 -13.067 -24.590 -4.351 772 HB3 HIS 93 HB3 HIS 93 -12.219 -25.947 -3.612 773 HD1 HIS 93 HD1 HIS 93 -14.969 -24.653 -2.629 774 HD2 HIS 93 HD2 HIS 93 -11.211 -24.059 -0.958 775 HE1 HIS 93 HE1 HIS 93 -15.393 -23.956 -0.250 776 H HIS 94 H HIS 94 -9.396 -26.167 -3.915 777 HA HIS 94 HA HIS 94 -9.004 -26.103 -6.831 778 HB2 HIS 94 HB2 HIS 94 -7.209 -26.650 -4.545 779 HB3 HIS 94 HB3 HIS 94 -6.997 -27.696 -5.946 780 HD1 HIS 94 HD1 HIS 94 -4.606 -26.437 -6.034 781 HD2 HIS 94 HD2 HIS 94 -7.942 -24.156 -6.999 782 HE1 HIS 94 HE1 HIS 94 -3.715 -24.419 -7.242 783 H HIS 95 H HIS 95 -10.737 -27.383 -7.442 784 HA HIS 95 HA HIS 95 -10.865 -30.099 -6.345 785 HB2 HIS 95 HB2 HIS 95 -12.904 -28.465 -6.639 786 HB3 HIS 95 HB3 HIS 95 -12.858 -29.029 -8.307 787 HD1 HIS 95 HD1 HIS 95 -14.885 -30.496 -8.366 788 HD2 HIS 95 HD2 HIS 95 -12.405 -31.344 -5.142 789 HE1 HIS 95 HE1 HIS 95 -15.829 -32.579 -7.322 790 H HIS 96 H HIS 96 -8.680 -30.004 -7.756 791 HA HIS 96 HA HIS 96 -9.195 -31.742 -9.975 792 HB2 HIS 96 HB2 HIS 96 -8.111 -30.382 -11.697 793 HB3 HIS 96 HB3 HIS 96 -9.538 -29.565 -11.067 794 HD1 HIS 96 HD1 HIS 96 -9.176 -27.378 -9.770 795 HD2 HIS 96 HD2 HIS 96 -5.656 -29.148 -11.089 796 HE1 HIS 96 HE1 HIS 96 -7.388 -25.638 -9.453 797 H HIS 97 H HIS 97 -7.434 -32.992 -10.492 798 HA HIS 97 HA HIS 97 -4.770 -32.298 -9.708 799 HB2 HIS 97 HB2 HIS 97 -6.044 -33.130 -7.580 800 HB3 HIS 97 HB3 HIS 97 -5.831 -34.724 -8.299 801 HD1 HIS 97 HD1 HIS 97 -4.338 -35.165 -6.115 802 HD2 HIS 97 HD2 HIS 97 -2.801 -32.455 -8.864 803 HE1 HIS 97 HE1 HIS 97 -1.901 -34.936 -5.542 804 H HIS 98 H HIS 98 -5.544 -32.847 -12.170 805 HA HIS 98 HA HIS 98 -5.162 -34.151 -13.994 806 HB2 HIS 98 HB2 HIS 98 -2.905 -34.268 -12.636 807 HB3 HIS 98 HB3 HIS 98 -3.377 -35.948 -12.401 808 HD1 HIS 98 HD1 HIS 98 -2.366 -33.520 -15.081 809 HD2 HIS 98 HD2 HIS 98 -3.114 -37.582 -14.629 810 HE1 HIS 98 HE1 HIS 98 -1.559 -34.593 -17.207 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -3.960 -9.101 11.257 2 HA2 GLY 1 HA2 GLY 1 -3.280 -7.256 12.676 3 HA3 GLY 1 HA3 GLY 1 -1.884 -7.741 11.725 4 H ARG 2 H ARG 2 -0.860 -6.181 10.671 5 HA ARG 2 HA ARG 2 -2.143 -3.573 10.435 6 HB2 ARG 2 HB2 ARG 2 0.650 -4.571 10.475 7 HB3 ARG 2 HB3 ARG 2 0.342 -3.134 9.509 8 HG2 ARG 2 HG2 ARG 2 0.965 -2.306 11.593 9 HG3 ARG 2 HG3 ARG 2 -0.796 -2.194 11.594 10 HD2 ARG 2 HD2 ARG 2 0.134 -4.758 12.576 11 HD3 ARG 2 HD3 ARG 2 0.794 -3.416 13.511 12 HE ARG 2 HE ARG 2 -1.879 -4.362 13.560 13 HH11 ARG 2 HH11 ARG 2 0.018 -1.447 13.727 14 HH12 ARG 2 HH12 ARG 2 -1.155 -0.582 14.663 15 HH21 ARG 2 HH21 ARG 2 -3.431 -3.233 14.792 16 HH22 ARG 2 HH22 ARG 2 -3.116 -1.599 15.269 17 H VAL 3 H VAL 3 -2.248 -2.406 8.486 18 HA VAL 3 HA VAL 3 -1.584 -3.765 6.003 19 HB VAL 3 HB VAL 3 -3.809 -3.554 5.046 20 HG11 VAL 3 HG11 VAL 3 -3.838 -5.047 7.669 21 HG12 VAL 3 HG12 VAL 3 -4.948 -5.308 6.324 22 HG13 VAL 3 HG13 VAL 3 -3.230 -5.658 6.130 23 HG21 VAL 3 HG21 VAL 3 -5.696 -3.145 6.800 24 HG22 VAL 3 HG22 VAL 3 -4.426 -2.300 7.687 25 HG23 VAL 3 HG23 VAL 3 -4.867 -1.774 6.063 26 H VAL 4 H VAL 4 -1.357 -2.386 4.252 27 HA VAL 4 HA VAL 4 -1.861 0.470 4.727 28 HB VAL 4 HB VAL 4 0.713 -0.686 3.646 29 HG11 VAL 4 HG11 VAL 4 -0.439 2.054 3.605 30 HG12 VAL 4 HG12 VAL 4 1.295 1.883 3.886 31 HG13 VAL 4 HG13 VAL 4 0.571 1.233 2.415 32 HG21 VAL 4 HG21 VAL 4 0.355 -0.751 6.137 33 HG22 VAL 4 HG22 VAL 4 1.764 0.166 5.601 34 HG23 VAL 4 HG23 VAL 4 0.299 1.012 6.099 35 H VAL 5 H VAL 5 -2.619 1.578 3.002 36 HA VAL 5 HA VAL 5 -2.973 0.063 0.506 37 HB VAL 5 HB VAL 5 -4.495 2.519 1.380 38 HG11 VAL 5 HG11 VAL 5 -4.382 1.964 -1.067 39 HG12 VAL 5 HG12 VAL 5 -5.220 0.459 -0.692 40 HG13 VAL 5 HG13 VAL 5 -6.007 2.007 -0.385 41 HG21 VAL 5 HG21 VAL 5 -5.384 1.138 2.921 42 HG22 VAL 5 HG22 VAL 5 -6.284 0.491 1.549 43 HG23 VAL 5 HG23 VAL 5 -4.814 -0.314 2.099 44 H VAL 6 H VAL 6 -2.082 0.750 -1.342 45 HA VAL 6 HA VAL 6 -0.956 3.469 -1.430 46 HB VAL 6 HB VAL 6 0.376 1.015 -2.581 47 HG11 VAL 6 HG11 VAL 6 0.875 3.920 -2.752 48 HG12 VAL 6 HG12 VAL 6 2.289 2.899 -2.491 49 HG13 VAL 6 HG13 VAL 6 1.256 2.632 -3.895 50 HG21 VAL 6 HG21 VAL 6 0.480 2.205 0.078 51 HG22 VAL 6 HG22 VAL 6 1.043 0.631 -0.481 52 HG23 VAL 6 HG23 VAL 6 2.066 2.055 -0.678 53 H VAL 7 H VAL 7 -1.012 4.515 -3.408 54 HA VAL 7 HA VAL 7 -2.346 3.112 -5.620 55 HB VAL 7 HB VAL 7 -3.632 5.195 -6.105 56 HG11 VAL 7 HG11 VAL 7 -5.014 3.637 -5.169 57 HG12 VAL 7 HG12 VAL 7 -4.056 3.508 -3.694 58 HG13 VAL 7 HG13 VAL 7 -5.118 4.895 -3.937 59 HG21 VAL 7 HG21 VAL 7 -2.907 6.030 -3.304 60 HG22 VAL 7 HG22 VAL 7 -2.099 6.660 -4.739 61 HG23 VAL 7 HG23 VAL 7 -3.825 6.938 -4.507 62 H THR 8 H THR 8 -2.265 4.537 -7.664 63 HA THR 8 HA THR 8 0.509 5.397 -7.982 64 HB THR 8 HB THR 8 -0.738 5.569 -10.473 65 HG1 THR 8 HG1 THR 8 -2.274 4.120 -10.501 66 HG21 THR 8 HG21 THR 8 1.493 4.456 -9.459 67 HG22 THR 8 HG22 THR 8 0.540 3.001 -9.757 68 HG23 THR 8 HG23 THR 8 0.891 4.112 -11.081 69 H SER 9 H SER 9 -2.666 6.690 -7.773 70 HA SER 9 HA SER 9 -1.662 9.319 -8.649 71 HB2 SER 9 HB2 SER 9 -3.845 7.908 -9.659 72 HB3 SER 9 HB3 SER 9 -4.562 9.115 -8.591 73 HG SER 9 HG SER 9 -3.988 9.636 -10.941 74 H GLU 10 H GLU 10 -2.138 11.112 -7.395 75 HA GLU 10 HA GLU 10 -2.374 10.681 -4.615 76 HB2 GLU 10 HB2 GLU 10 -2.352 13.088 -4.402 77 HB3 GLU 10 HB3 GLU 10 -1.191 12.608 -5.633 78 HG2 GLU 10 HG2 GLU 10 -2.145 14.257 -6.808 79 HG3 GLU 10 HG3 GLU 10 -3.356 13.029 -7.171 80 H GLN 11 H GLN 11 -4.690 11.492 -7.110 81 HA GLN 11 HA GLN 11 -6.805 12.405 -5.546 82 HB2 GLN 11 HB2 GLN 11 -6.528 12.227 -8.139 83 HB3 GLN 11 HB3 GLN 11 -7.296 10.659 -7.931 84 HG2 GLN 11 HG2 GLN 11 -8.820 12.551 -6.485 85 HG3 GLN 11 HG3 GLN 11 -8.495 13.227 -8.080 86 HE21 GLN 11 HE21 GLN 11 -9.547 12.438 -9.812 87 HE22 GLN 11 HE22 GLN 11 -10.692 11.145 -9.756 88 H VAL 12 H VAL 12 -6.053 9.086 -6.582 89 HA VAL 12 HA VAL 12 -8.223 7.832 -5.329 90 HB VAL 12 HB VAL 12 -5.503 6.592 -5.733 91 HG11 VAL 12 HG11 VAL 12 -8.260 5.370 -5.777 92 HG12 VAL 12 HG12 VAL 12 -6.723 4.517 -5.927 93 HG13 VAL 12 HG13 VAL 12 -7.149 5.309 -4.409 94 HG21 VAL 12 HG21 VAL 12 -7.695 7.165 -7.701 95 HG22 VAL 12 HG22 VAL 12 -5.970 7.507 -7.836 96 HG23 VAL 12 HG23 VAL 12 -6.551 5.845 -7.948 97 H LYS 13 H LYS 13 -4.979 8.599 -4.153 98 HA LYS 13 HA LYS 13 -5.082 7.221 -1.722 99 HB2 LYS 13 HB2 LYS 13 -3.045 8.262 -2.726 100 HB3 LYS 13 HB3 LYS 13 -3.668 9.839 -2.256 101 HG2 LYS 13 HG2 LYS 13 -3.719 8.197 0.043 102 HG3 LYS 13 HG3 LYS 13 -2.143 7.992 -0.726 103 HD2 LYS 13 HD2 LYS 13 -2.076 10.543 -0.863 104 HD3 LYS 13 HD3 LYS 13 -3.429 10.520 0.270 105 HE2 LYS 13 HE2 LYS 13 -1.398 8.756 1.218 106 HE3 LYS 13 HE3 LYS 13 -0.663 10.309 0.827 107 HZ1 LYS 13 HZ1 LYS 13 -2.392 9.616 2.993 108 HZ2 LYS 13 HZ2 LYS 13 -1.400 10.974 2.800 109 HZ3 LYS 13 HZ3 LYS 13 -2.959 10.966 2.144 110 H GLU 14 H GLU 14 -5.939 10.595 -2.459 111 HA GLU 14 HA GLU 14 -6.651 11.429 0.080 112 HB2 GLU 14 HB2 GLU 14 -7.113 12.320 -2.639 113 HB3 GLU 14 HB3 GLU 14 -8.508 12.642 -1.619 114 HG2 GLU 14 HG2 GLU 14 -7.077 13.829 -0.033 115 HG3 GLU 14 HG3 GLU 14 -5.681 13.513 -1.063 116 H GLU 15 H GLU 15 -8.701 9.878 -2.374 117 HA GLU 15 HA GLU 15 -11.074 9.879 -0.873 118 HB2 GLU 15 HB2 GLU 15 -11.525 9.397 -3.062 119 HB3 GLU 15 HB3 GLU 15 -10.067 8.434 -3.262 120 HG2 GLU 15 HG2 GLU 15 -11.052 6.522 -2.446 121 HG3 GLU 15 HG3 GLU 15 -12.279 7.412 -1.547 122 H VAL 16 H VAL 16 -8.348 7.677 -0.950 123 HA VAL 16 HA VAL 16 -9.591 5.595 0.548 124 HB VAL 16 HB VAL 16 -6.656 6.183 0.137 125 HG11 VAL 16 HG11 VAL 16 -8.034 3.697 1.148 126 HG12 VAL 16 HG12 VAL 16 -6.319 3.826 0.760 127 HG13 VAL 16 HG13 VAL 16 -6.997 4.776 2.083 128 HG21 VAL 16 HG21 VAL 16 -8.593 5.345 -1.695 129 HG22 VAL 16 HG22 VAL 16 -6.842 5.298 -1.894 130 HG23 VAL 16 HG23 VAL 16 -7.696 3.891 -1.262 131 H ARG 17 H ARG 17 -7.265 8.151 1.400 132 HA ARG 17 HA ARG 17 -7.008 7.536 4.107 133 HB2 ARG 17 HB2 ARG 17 -5.597 9.151 2.801 134 HB3 ARG 17 HB3 ARG 17 -6.918 10.306 2.909 135 HG2 ARG 17 HG2 ARG 17 -6.750 10.171 5.387 136 HG3 ARG 17 HG3 ARG 17 -5.316 9.162 5.183 137 HD2 ARG 17 HD2 ARG 17 -4.026 10.932 4.771 138 HD3 ARG 17 HD3 ARG 17 -5.168 11.577 3.593 139 HE ARG 17 HE ARG 17 -5.982 11.970 6.320 140 HH11 ARG 17 HH11 ARG 17 -4.092 13.241 3.688 141 HH12 ARG 17 HH12 ARG 17 -4.136 14.872 4.270 142 HH21 ARG 17 HH21 ARG 17 -6.049 14.113 7.098 143 HH22 ARG 17 HH22 ARG 17 -5.249 15.367 6.210 144 H LYS 18 H LYS 18 -9.505 9.263 2.384 145 HA LYS 18 HA LYS 18 -10.741 10.386 4.708 146 HB2 LYS 18 HB2 LYS 18 -11.223 10.347 1.822 147 HB3 LYS 18 HB3 LYS 18 -12.704 10.294 2.770 148 HG2 LYS 18 HG2 LYS 18 -11.162 12.260 3.987 149 HG3 LYS 18 HG3 LYS 18 -10.922 12.503 2.256 150 HD2 LYS 18 HD2 LYS 18 -12.844 13.658 2.361 151 HD3 LYS 18 HD3 LYS 18 -13.612 12.070 2.389 152 HE2 LYS 18 HE2 LYS 18 -13.850 12.115 4.731 153 HE3 LYS 18 HE3 LYS 18 -12.727 13.462 4.900 154 HZ1 LYS 18 HZ1 LYS 18 -14.646 14.611 5.056 155 HZ2 LYS 18 HZ2 LYS 18 -14.565 14.583 3.366 156 HZ3 LYS 18 HZ3 LYS 18 -15.547 13.475 4.184 157 H LYS 19 H LYS 19 -11.273 7.511 2.726 158 HA LYS 19 HA LYS 19 -13.649 6.674 4.019 159 HB2 LYS 19 HB2 LYS 19 -11.963 5.739 1.913 160 HB3 LYS 19 HB3 LYS 19 -12.234 4.410 3.034 161 HG2 LYS 19 HG2 LYS 19 -14.011 4.126 1.642 162 HG3 LYS 19 HG3 LYS 19 -14.736 5.198 2.842 163 HD2 LYS 19 HD2 LYS 19 -13.671 7.001 1.122 164 HD3 LYS 19 HD3 LYS 19 -14.075 5.686 0.016 165 HE2 LYS 19 HE2 LYS 19 -16.313 5.923 0.336 166 HE3 LYS 19 HE3 LYS 19 -16.127 6.439 2.012 167 HZ1 LYS 19 HZ1 LYS 19 -16.394 8.517 1.342 168 HZ2 LYS 19 HZ2 LYS 19 -14.995 8.406 0.396 169 HZ3 LYS 19 HZ3 LYS 19 -16.502 8.027 -0.274 170 H PHE 20 H PHE 20 -10.231 5.924 4.529 171 HA PHE 20 HA PHE 20 -10.930 4.890 7.183 172 HB2 PHE 20 HB2 PHE 20 -8.817 3.557 5.500 173 HB3 PHE 20 HB3 PHE 20 -9.577 2.964 6.973 174 HD1 PHE 20 HD1 PHE 20 -9.418 2.487 3.576 175 HD2 PHE 20 HD2 PHE 20 -12.280 2.847 6.706 176 HE1 PHE 20 HE1 PHE 20 -11.050 1.241 2.222 177 HE2 PHE 20 HE2 PHE 20 -13.917 1.602 5.357 178 HZ PHE 20 HZ PHE 20 -13.304 0.795 3.113 179 HA PRO 21 HA PRO 21 -7.568 8.062 7.381 180 HB2 PRO 21 HB2 PRO 21 -8.586 9.325 9.558 181 HB3 PRO 21 HB3 PRO 21 -9.088 9.703 7.906 182 HG2 PRO 21 HG2 PRO 21 -10.439 7.982 9.949 183 HG3 PRO 21 HG3 PRO 21 -11.149 9.174 8.845 184 HD2 PRO 21 HD2 PRO 21 -11.232 6.511 8.364 185 HD3 PRO 21 HD3 PRO 21 -11.139 7.714 7.062 186 H GLN 22 H GLN 22 -9.051 5.958 9.769 187 HA GLN 22 HA GLN 22 -7.016 6.220 11.738 188 HB2 GLN 22 HB2 GLN 22 -8.038 4.218 12.749 189 HB3 GLN 22 HB3 GLN 22 -9.237 5.438 12.340 190 HG2 GLN 22 HG2 GLN 22 -9.812 4.193 10.318 191 HG3 GLN 22 HG3 GLN 22 -8.617 2.967 10.738 192 HE21 GLN 22 HE21 GLN 22 -8.981 2.536 13.342 193 HE22 GLN 22 HE22 GLN 22 -10.578 1.960 13.664 194 H VAL 23 H VAL 23 -7.383 4.300 8.872 195 HA VAL 23 HA VAL 23 -5.278 2.445 9.578 196 HB VAL 23 HB VAL 23 -7.372 2.104 7.984 197 HG11 VAL 23 HG11 VAL 23 -6.204 3.929 6.469 198 HG12 VAL 23 HG12 VAL 23 -5.336 2.519 5.859 199 HG13 VAL 23 HG13 VAL 23 -7.096 2.579 5.767 200 HG21 VAL 23 HG21 VAL 23 -6.438 0.089 8.027 201 HG22 VAL 23 HG22 VAL 23 -5.372 0.583 6.712 202 HG23 VAL 23 HG23 VAL 23 -4.861 0.793 8.387 203 H GLU 24 H GLU 24 -3.450 2.114 8.003 204 HA GLU 24 HA GLU 24 -2.160 4.684 7.548 205 HB2 GLU 24 HB2 GLU 24 -1.215 1.841 7.668 206 HB3 GLU 24 HB3 GLU 24 -0.207 3.069 6.916 207 HG2 GLU 24 HG2 GLU 24 -0.088 4.316 8.948 208 HG3 GLU 24 HG3 GLU 24 -1.278 3.268 9.718 209 H VAL 25 H VAL 25 -1.937 5.606 5.618 210 HA VAL 25 HA VAL 25 -2.206 3.950 3.205 211 HB VAL 25 HB VAL 25 -3.593 6.595 3.660 212 HG11 VAL 25 HG11 VAL 25 -4.548 6.188 1.397 213 HG12 VAL 25 HG12 VAL 25 -2.812 6.503 1.394 214 HG13 VAL 25 HG13 VAL 25 -3.410 4.854 1.206 215 HG21 VAL 25 HG21 VAL 25 -4.540 4.409 4.656 216 HG22 VAL 25 HG22 VAL 25 -5.614 5.446 3.716 217 HG23 VAL 25 HG23 VAL 25 -4.924 3.998 2.984 218 H ARG 26 H ARG 26 -0.601 4.267 1.814 219 HA ARG 26 HA ARG 26 0.755 6.871 1.767 220 HB2 ARG 26 HB2 ARG 26 2.097 4.168 1.910 221 HB3 ARG 26 HB3 ARG 26 2.934 5.664 1.522 222 HG2 ARG 26 HG2 ARG 26 1.356 5.702 4.005 223 HG3 ARG 26 HG3 ARG 26 2.757 4.629 3.999 224 HD2 ARG 26 HD2 ARG 26 4.232 6.424 3.488 225 HD3 ARG 26 HD3 ARG 26 2.887 7.515 3.156 226 HE ARG 26 HE ARG 26 2.847 6.513 5.833 227 HH11 ARG 26 HH11 ARG 26 4.269 8.901 3.735 228 HH12 ARG 26 HH12 ARG 26 4.611 10.014 5.018 229 HH21 ARG 26 HH21 ARG 26 3.292 7.970 7.530 230 HH22 ARG 26 HH22 ARG 26 4.056 9.483 7.177 231 H VAL 27 H VAL 27 0.784 7.669 -0.221 232 HA VAL 27 HA VAL 27 0.252 5.908 -2.485 233 HB VAL 27 HB VAL 27 -1.100 7.885 -2.424 234 HG11 VAL 27 HG11 VAL 27 -0.319 9.704 -1.415 235 HG12 VAL 27 HG12 VAL 27 1.344 9.126 -1.536 236 HG13 VAL 27 HG13 VAL 27 0.626 10.033 -2.867 237 HG21 VAL 27 HG21 VAL 27 0.710 8.846 -4.514 238 HG22 VAL 27 HG22 VAL 27 0.369 7.117 -4.593 239 HG23 VAL 27 HG23 VAL 27 -0.956 8.280 -4.627 240 H VAL 28 H VAL 28 1.690 5.413 -4.038 241 HA VAL 28 HA VAL 28 4.308 6.764 -3.979 242 HB VAL 28 HB VAL 28 5.443 4.700 -4.417 243 HG11 VAL 28 HG11 VAL 28 5.119 5.103 -2.091 244 HG12 VAL 28 HG12 VAL 28 3.471 4.477 -2.151 245 HG13 VAL 28 HG13 VAL 28 4.839 3.384 -2.368 246 HG21 VAL 28 HG21 VAL 28 3.780 2.590 -4.157 247 HG22 VAL 28 HG22 VAL 28 2.720 3.731 -4.984 248 HG23 VAL 28 HG23 VAL 28 4.261 3.277 -5.710 249 H THR 29 H THR 29 5.250 7.221 -5.926 250 HA THR 29 HA THR 29 3.722 6.494 -8.339 251 HB THR 29 HB THR 29 4.566 8.710 -9.284 252 HG1 THR 29 HG1 THR 29 5.735 9.895 -7.989 253 HG21 THR 29 HG21 THR 29 2.332 8.889 -8.967 254 HG22 THR 29 HG22 THR 29 2.409 8.268 -7.318 255 HG23 THR 29 HG23 THR 29 2.817 9.952 -7.646 256 H THR 30 H THR 30 6.856 7.125 -6.899 257 HA THR 30 HA THR 30 8.133 5.955 -9.285 258 HB THR 30 HB THR 30 10.038 7.342 -7.647 259 HG1 THR 30 HG1 THR 30 7.936 8.998 -8.621 260 HG21 THR 30 HG21 THR 30 9.002 7.598 -10.457 261 HG22 THR 30 HG22 THR 30 10.229 8.692 -9.819 262 HG23 THR 30 HG23 THR 30 10.551 6.961 -9.906 263 H GLU 31 H GLU 31 10.336 4.965 -8.711 264 HA GLU 31 HA GLU 31 9.896 2.866 -6.858 265 HB2 GLU 31 HB2 GLU 31 12.458 3.717 -8.218 266 HB3 GLU 31 HB3 GLU 31 12.200 2.188 -7.391 267 HG2 GLU 31 HG2 GLU 31 10.619 1.480 -9.015 268 HG3 GLU 31 HG3 GLU 31 10.572 3.079 -9.753 269 H GLU 32 H GLU 32 11.811 5.828 -6.761 270 HA GLU 32 HA GLU 32 13.123 5.287 -4.312 271 HB2 GLU 32 HB2 GLU 32 13.120 7.353 -6.236 272 HB3 GLU 32 HB3 GLU 32 12.720 8.107 -4.700 273 HG2 GLU 32 HG2 GLU 32 14.727 7.087 -3.705 274 HG3 GLU 32 HG3 GLU 32 15.139 6.415 -5.282 275 H ASP 33 H ASP 33 10.142 7.021 -5.111 276 HA ASP 33 HA ASP 33 9.545 8.015 -2.573 277 HB2 ASP 33 HB2 ASP 33 8.370 8.243 -4.979 278 HB3 ASP 33 HB3 ASP 33 7.280 7.072 -4.243 279 H ALA 34 H ALA 34 8.526 4.961 -4.089 280 HA ALA 34 HA ALA 34 7.023 3.976 -1.949 281 HB1 ALA 34 HB1 ALA 34 7.115 1.859 -3.017 282 HB2 ALA 34 HB2 ALA 34 7.096 3.072 -4.296 283 HB3 ALA 34 HB3 ALA 34 8.607 2.274 -3.861 284 H LYS 35 H LYS 35 10.472 3.663 -2.679 285 HA LYS 35 HA LYS 35 11.231 1.814 -0.780 286 HB2 LYS 35 HB2 LYS 35 12.550 3.399 -2.567 287 HB3 LYS 35 HB3 LYS 35 13.060 4.108 -1.040 288 HG2 LYS 35 HG2 LYS 35 14.663 2.463 -1.686 289 HG3 LYS 35 HG3 LYS 35 13.770 1.851 -0.291 290 HD2 LYS 35 HD2 LYS 35 13.190 0.042 -1.444 291 HD3 LYS 35 HD3 LYS 35 12.397 1.054 -2.652 292 HE2 LYS 35 HE2 LYS 35 14.232 1.062 -4.044 293 HE3 LYS 35 HE3 LYS 35 15.364 0.755 -2.728 294 HZ1 LYS 35 HZ1 LYS 35 15.338 -1.352 -3.383 295 HZ2 LYS 35 HZ2 LYS 35 13.751 -1.460 -2.806 296 HZ3 LYS 35 HZ3 LYS 35 14.037 -1.100 -4.435 297 H GLN 36 H GLN 36 11.082 5.352 -0.376 298 HA GLN 36 HA GLN 36 11.750 5.321 2.371 299 HB2 GLN 36 HB2 GLN 36 10.654 7.324 0.464 300 HB3 GLN 36 HB3 GLN 36 10.460 7.648 2.181 301 HG2 GLN 36 HG2 GLN 36 12.816 7.604 2.533 302 HG3 GLN 36 HG3 GLN 36 13.103 7.025 0.893 303 HE21 GLN 36 HE21 GLN 36 12.021 8.533 -0.801 304 HE22 GLN 36 HE22 GLN 36 12.354 10.215 -0.591 305 H VAL 37 H VAL 37 8.757 4.928 0.640 306 HA VAL 37 HA VAL 37 7.002 5.429 2.819 307 HB VAL 37 HB VAL 37 6.620 3.918 0.238 308 HG11 VAL 37 HG11 VAL 37 4.686 4.422 2.482 309 HG12 VAL 37 HG12 VAL 37 4.152 4.131 0.826 310 HG13 VAL 37 HG13 VAL 37 5.073 2.897 1.686 311 HG21 VAL 37 HG21 VAL 37 6.361 5.962 -0.595 312 HG22 VAL 37 HG22 VAL 37 4.933 6.149 0.422 313 HG23 VAL 37 HG23 VAL 37 6.508 6.683 1.007 314 H VAL 38 H VAL 38 8.029 2.374 1.284 315 HA VAL 38 HA VAL 38 6.814 0.632 3.077 316 HB VAL 38 HB VAL 38 7.766 -0.153 0.982 317 HG11 VAL 38 HG11 VAL 38 9.724 1.281 0.877 318 HG12 VAL 38 HG12 VAL 38 10.444 0.429 2.243 319 HG13 VAL 38 HG13 VAL 38 10.195 -0.410 0.712 320 HG21 VAL 38 HG21 VAL 38 9.431 -1.632 2.933 321 HG22 VAL 38 HG22 VAL 38 7.701 -1.535 3.266 322 HG23 VAL 38 HG23 VAL 38 8.271 -2.230 1.748 323 H LYS 39 H LYS 39 9.889 2.317 3.288 324 HA LYS 39 HA LYS 39 10.890 0.902 5.534 325 HB2 LYS 39 HB2 LYS 39 11.552 3.533 4.247 326 HB3 LYS 39 HB3 LYS 39 12.301 3.074 5.771 327 HG2 LYS 39 HG2 LYS 39 12.959 0.907 4.561 328 HG3 LYS 39 HG3 LYS 39 12.573 1.789 3.081 329 HD2 LYS 39 HD2 LYS 39 14.876 2.116 3.390 330 HD3 LYS 39 HD3 LYS 39 14.132 3.608 3.968 331 HE2 LYS 39 HE2 LYS 39 14.316 1.693 6.103 332 HE3 LYS 39 HE3 LYS 39 15.894 1.917 5.351 333 HZ1 LYS 39 HZ1 LYS 39 14.438 4.362 5.841 334 HZ2 LYS 39 HZ2 LYS 39 14.869 3.518 7.243 335 HZ3 LYS 39 HZ3 LYS 39 16.061 3.991 6.138 336 H GLU 40 H GLU 40 9.066 3.917 5.180 337 HA GLU 40 HA GLU 40 9.102 4.673 7.887 338 HB2 GLU 40 HB2 GLU 40 8.182 5.812 5.595 339 HB3 GLU 40 HB3 GLU 40 6.670 5.344 6.360 340 HG2 GLU 40 HG2 GLU 40 6.793 7.002 7.825 341 HG3 GLU 40 HG3 GLU 40 8.462 6.614 8.236 342 H VAL 41 H VAL 41 6.732 2.800 6.020 343 HA VAL 41 HA VAL 41 4.948 2.384 8.185 344 HB VAL 41 HB VAL 41 3.967 0.597 6.777 345 HG11 VAL 41 HG11 VAL 41 2.990 2.626 6.310 346 HG12 VAL 41 HG12 VAL 41 4.490 3.334 5.711 347 HG13 VAL 41 HG13 VAL 41 3.604 2.174 4.720 348 HG21 VAL 41 HG21 VAL 41 5.953 -0.299 5.751 349 HG22 VAL 41 HG22 VAL 41 4.874 0.288 4.485 350 HG23 VAL 41 HG23 VAL 41 6.283 1.240 4.955 351 H GLN 42 H GLN 42 7.698 0.587 6.924 352 HA GLN 42 HA GLN 42 7.339 -1.808 8.317 353 HB2 GLN 42 HB2 GLN 42 9.567 -0.442 6.963 354 HB3 GLN 42 HB3 GLN 42 10.057 -1.570 8.220 355 HG2 GLN 42 HG2 GLN 42 8.163 -2.989 6.828 356 HG3 GLN 42 HG3 GLN 42 8.987 -2.076 5.566 357 HE21 GLN 42 HE21 GLN 42 11.382 -2.183 5.613 358 HE22 GLN 42 HE22 GLN 42 12.112 -3.690 6.036 359 H LYS 43 H LYS 43 8.878 1.215 9.288 360 HA LYS 43 HA LYS 43 9.888 0.256 11.762 361 HB2 LYS 43 HB2 LYS 43 10.062 2.623 10.283 362 HB3 LYS 43 HB3 LYS 43 9.279 3.089 11.787 363 HG2 LYS 43 HG2 LYS 43 11.129 2.032 13.036 364 HG3 LYS 43 HG3 LYS 43 11.927 1.683 11.499 365 HD2 LYS 43 HD2 LYS 43 11.821 4.162 11.023 366 HD3 LYS 43 HD3 LYS 43 11.316 4.378 12.700 367 HE2 LYS 43 HE2 LYS 43 13.600 4.685 12.846 368 HE3 LYS 43 HE3 LYS 43 13.438 2.975 13.239 369 HZ1 LYS 43 HZ1 LYS 43 14.699 4.230 10.968 370 HZ2 LYS 43 HZ2 LYS 43 14.975 2.709 11.658 371 HZ3 LYS 43 HZ3 LYS 43 13.703 2.924 10.563 372 H LYS 44 H LYS 44 6.870 1.783 10.786 373 HA LYS 44 HA LYS 44 5.843 2.260 13.368 374 HB2 LYS 44 HB2 LYS 44 4.786 2.201 10.615 375 HB3 LYS 44 HB3 LYS 44 3.601 1.879 11.873 376 HG2 LYS 44 HG2 LYS 44 5.225 4.134 12.595 377 HG3 LYS 44 HG3 LYS 44 4.525 4.363 10.992 378 HD2 LYS 44 HD2 LYS 44 2.372 4.357 11.782 379 HD3 LYS 44 HD3 LYS 44 2.772 3.344 13.172 380 HE2 LYS 44 HE2 LYS 44 3.577 5.130 14.405 381 HE3 LYS 44 HE3 LYS 44 3.885 6.112 12.974 382 HZ1 LYS 44 HZ1 LYS 44 1.142 5.558 13.096 383 HZ2 LYS 44 HZ2 LYS 44 1.625 6.118 14.618 384 HZ3 LYS 44 HZ3 LYS 44 1.917 7.056 13.240 385 H GLY 45 H GLY 45 5.934 -0.586 11.345 386 HA2 GLY 45 HA2 GLY 45 5.880 -2.720 12.582 387 HA3 GLY 45 HA3 GLY 45 4.521 -2.062 13.482 388 H VAL 46 H VAL 46 4.689 -1.393 10.104 389 HA VAL 46 HA VAL 46 2.179 -2.346 9.484 390 HB VAL 46 HB VAL 46 3.581 -0.869 8.031 391 HG11 VAL 46 HG11 VAL 46 4.769 -2.923 6.436 392 HG12 VAL 46 HG12 VAL 46 5.538 -1.551 7.234 393 HG13 VAL 46 HG13 VAL 46 5.333 -3.072 8.101 394 HG21 VAL 46 HG21 VAL 46 2.614 -1.618 5.973 395 HG22 VAL 46 HG22 VAL 46 2.480 -3.268 6.578 396 HG23 VAL 46 HG23 VAL 46 1.483 -1.991 7.273 397 H GLN 47 H GLN 47 1.444 -4.190 8.307 398 HA GLN 47 HA GLN 47 3.180 -6.555 8.554 399 HB2 GLN 47 HB2 GLN 47 1.369 -6.427 10.308 400 HB3 GLN 47 HB3 GLN 47 0.195 -6.560 9.005 401 HG2 GLN 47 HG2 GLN 47 1.334 -8.716 8.364 402 HG3 GLN 47 HG3 GLN 47 2.219 -8.596 9.884 403 HE21 GLN 47 HE21 GLN 47 1.338 -9.516 11.591 404 HE22 GLN 47 HE22 GLN 47 -0.321 -9.963 11.761 405 H LYS 48 H LYS 48 0.601 -4.925 6.823 406 HA LYS 48 HA LYS 48 1.030 -6.771 4.565 407 HB2 LYS 48 HB2 LYS 48 -1.320 -6.481 5.884 408 HB3 LYS 48 HB3 LYS 48 -1.497 -5.236 4.654 409 HG2 LYS 48 HG2 LYS 48 -2.481 -7.240 3.831 410 HG3 LYS 48 HG3 LYS 48 -0.988 -6.960 2.932 411 HD2 LYS 48 HD2 LYS 48 -1.167 -9.302 3.525 412 HD3 LYS 48 HD3 LYS 48 0.170 -8.561 4.408 413 HE2 LYS 48 HE2 LYS 48 -2.218 -8.296 5.946 414 HE3 LYS 48 HE3 LYS 48 -2.048 -9.978 5.443 415 HZ1 LYS 48 HZ1 LYS 48 -0.618 -8.570 7.433 416 HZ2 LYS 48 HZ2 LYS 48 -0.572 -10.219 7.058 417 HZ3 LYS 48 HZ3 LYS 48 0.461 -9.142 6.262 418 H VAL 49 H VAL 49 0.667 -5.809 2.421 419 HA VAL 49 HA VAL 49 0.928 -2.906 2.281 420 HB VAL 49 HB VAL 49 2.946 -4.754 0.999 421 HG11 VAL 49 HG11 VAL 49 3.152 -3.090 -0.477 422 HG12 VAL 49 HG12 VAL 49 2.174 -1.992 0.498 423 HG13 VAL 49 HG13 VAL 49 3.895 -2.176 0.835 424 HG21 VAL 49 HG21 VAL 49 4.507 -3.335 2.498 425 HG22 VAL 49 HG22 VAL 49 3.043 -2.998 3.422 426 HG23 VAL 49 HG23 VAL 49 3.598 -4.660 3.225 427 H VAL 50 H VAL 50 -0.655 -2.348 0.941 428 HA VAL 50 HA VAL 50 -1.135 -4.013 -1.444 429 HB VAL 50 HB VAL 50 -3.107 -2.170 -0.090 430 HG11 VAL 50 HG11 VAL 50 -3.586 -2.399 -2.428 431 HG12 VAL 50 HG12 VAL 50 -3.387 -4.150 -2.345 432 HG13 VAL 50 HG13 VAL 50 -4.744 -3.376 -1.527 433 HG21 VAL 50 HG21 VAL 50 -2.265 -4.798 0.633 434 HG22 VAL 50 HG22 VAL 50 -3.509 -3.791 1.375 435 HG23 VAL 50 HG23 VAL 50 -3.927 -4.873 0.046 436 H VAL 51 H VAL 51 -1.266 -3.052 -3.434 437 HA VAL 51 HA VAL 51 -0.899 -0.139 -3.570 438 HB VAL 51 HB VAL 51 0.725 -0.417 -5.404 439 HG11 VAL 51 HG11 VAL 51 2.234 -1.919 -3.500 440 HG12 VAL 51 HG12 VAL 51 2.288 -0.190 -3.844 441 HG13 VAL 51 HG13 VAL 51 1.155 -0.816 -2.645 442 HG21 VAL 51 HG21 VAL 51 1.592 -2.474 -6.076 443 HG22 VAL 51 HG22 VAL 51 0.986 -3.306 -4.643 444 HG23 VAL 51 HG23 VAL 51 -0.134 -2.792 -5.904 445 H VAL 52 H VAL 52 -1.726 0.866 -5.416 446 HA VAL 52 HA VAL 52 -3.441 -0.840 -7.104 447 HB VAL 52 HB VAL 52 -4.054 2.032 -6.432 448 HG11 VAL 52 HG11 VAL 52 -6.026 -0.074 -7.216 449 HG12 VAL 52 HG12 VAL 52 -6.114 1.675 -7.422 450 HG13 VAL 52 HG13 VAL 52 -5.043 0.718 -8.446 451 HG21 VAL 52 HG21 VAL 52 -4.584 1.409 -4.362 452 HG22 VAL 52 HG22 VAL 52 -5.865 0.419 -5.060 453 HG23 VAL 52 HG23 VAL 52 -4.283 -0.289 -4.731 454 H GLY 53 H GLY 53 -3.169 -0.685 -9.245 455 HA2 GLY 53 HA2 GLY 53 -2.462 0.076 -11.296 456 HA3 GLY 53 HA3 GLY 53 -2.391 1.686 -10.594 457 H VAL 54 H VAL 54 -0.563 -0.526 -8.828 458 HA VAL 54 HA VAL 54 1.900 0.608 -9.923 459 HB VAL 54 HB VAL 54 1.433 -0.986 -7.400 460 HG11 VAL 54 HG11 VAL 54 3.927 0.306 -8.490 461 HG12 VAL 54 HG12 VAL 54 3.749 -0.255 -6.828 462 HG13 VAL 54 HG13 VAL 54 3.661 -1.406 -8.162 463 HG21 VAL 54 HG21 VAL 54 0.450 1.175 -7.181 464 HG22 VAL 54 HG22 VAL 54 1.984 1.208 -6.311 465 HG23 VAL 54 HG23 VAL 54 1.858 1.954 -7.904 466 H SER 55 H SER 55 3.550 -0.602 -10.767 467 HA SER 55 HA SER 55 2.899 -3.016 -12.054 468 HB2 SER 55 HB2 SER 55 5.494 -1.565 -11.578 469 HB3 SER 55 HB3 SER 55 5.459 -3.127 -12.398 470 HG SER 55 HG SER 55 4.257 -0.696 -13.196 471 H GLU 56 H GLU 56 3.373 -5.135 -11.618 472 HA GLU 56 HA GLU 56 3.603 -5.879 -8.886 473 HB2 GLU 56 HB2 GLU 56 3.660 -8.193 -9.746 474 HB3 GLU 56 HB3 GLU 56 2.344 -7.253 -10.437 475 HG2 GLU 56 HG2 GLU 56 4.128 -6.814 -12.333 476 HG3 GLU 56 HG3 GLU 56 4.789 -8.330 -11.724 477 H LYS 57 H LYS 57 5.847 -5.828 -11.604 478 HA LYS 57 HA LYS 57 7.965 -7.232 -10.429 479 HB2 LYS 57 HB2 LYS 57 9.370 -6.242 -12.117 480 HB3 LYS 57 HB3 LYS 57 7.810 -6.619 -12.836 481 HG2 LYS 57 HG2 LYS 57 7.241 -4.151 -12.275 482 HG3 LYS 57 HG3 LYS 57 8.992 -3.959 -12.173 483 HD2 LYS 57 HD2 LYS 57 7.686 -5.246 -14.551 484 HD3 LYS 57 HD3 LYS 57 7.864 -3.495 -14.429 485 HE2 LYS 57 HE2 LYS 57 10.109 -3.569 -14.730 486 HE3 LYS 57 HE3 LYS 57 10.281 -5.101 -13.875 487 HZ1 LYS 57 HZ1 LYS 57 10.780 -5.444 -16.168 488 HZ2 LYS 57 HZ2 LYS 57 9.300 -6.196 -15.847 489 HZ3 LYS 57 HZ3 LYS 57 9.335 -4.714 -16.662 490 H VAL 58 H VAL 58 6.946 -3.895 -10.122 491 HA VAL 58 HA VAL 58 9.310 -2.975 -8.815 492 HB VAL 58 HB VAL 58 6.529 -1.793 -8.810 493 HG11 VAL 58 HG11 VAL 58 8.002 0.327 -8.380 494 HG12 VAL 58 HG12 VAL 58 7.534 -0.720 -7.040 495 HG13 VAL 58 HG13 VAL 58 9.149 -0.851 -7.738 496 HG21 VAL 58 HG21 VAL 58 7.679 -2.085 -11.044 497 HG22 VAL 58 HG22 VAL 58 7.207 -0.438 -10.626 498 HG23 VAL 58 HG23 VAL 58 8.891 -0.939 -10.467 499 H VAL 59 H VAL 59 6.017 -3.629 -7.600 500 HA VAL 59 HA VAL 59 6.655 -3.337 -4.877 501 HB VAL 59 HB VAL 59 4.552 -4.541 -4.424 502 HG11 VAL 59 HG11 VAL 59 3.328 -2.731 -4.951 503 HG12 VAL 59 HG12 VAL 59 4.856 -2.088 -5.553 504 HG13 VAL 59 HG13 VAL 59 3.716 -2.842 -6.667 505 HG21 VAL 59 HG21 VAL 59 4.508 -6.253 -6.044 506 HG22 VAL 59 HG22 VAL 59 3.174 -5.178 -6.463 507 HG23 VAL 59 HG23 VAL 59 4.682 -5.108 -7.375 508 H GLN 60 H GLN 60 6.753 -6.114 -7.035 509 HA GLN 60 HA GLN 60 7.053 -8.151 -5.156 510 HB2 GLN 60 HB2 GLN 60 6.663 -8.572 -7.537 511 HB3 GLN 60 HB3 GLN 60 8.263 -7.948 -7.919 512 HG2 GLN 60 HG2 GLN 60 8.167 -10.399 -7.934 513 HG3 GLN 60 HG3 GLN 60 9.306 -9.769 -6.745 514 HE21 GLN 60 HE21 GLN 60 9.299 -10.967 -4.995 515 HE22 GLN 60 HE22 GLN 60 7.911 -11.661 -4.235 516 H LYS 61 H LYS 61 9.559 -6.247 -6.818 517 HA LYS 61 HA LYS 61 11.784 -7.439 -5.633 518 HB2 LYS 61 HB2 LYS 61 11.640 -5.723 -7.565 519 HB3 LYS 61 HB3 LYS 61 11.689 -4.507 -6.294 520 HG2 LYS 61 HG2 LYS 61 13.901 -4.617 -6.557 521 HG3 LYS 61 HG3 LYS 61 13.786 -6.100 -5.608 522 HD2 LYS 61 HD2 LYS 61 13.914 -7.462 -7.496 523 HD3 LYS 61 HD3 LYS 61 13.449 -6.154 -8.586 524 HE2 LYS 61 HE2 LYS 61 15.741 -6.430 -8.959 525 HE3 LYS 61 HE3 LYS 61 15.641 -5.037 -7.882 526 HZ1 LYS 61 HZ1 LYS 61 16.991 -6.103 -6.511 527 HZ2 LYS 61 HZ2 LYS 61 15.806 -7.286 -6.269 528 HZ3 LYS 61 HZ3 LYS 61 16.972 -7.492 -7.477 529 H VAL 62 H VAL 62 10.374 -4.283 -4.737 530 HA VAL 62 HA VAL 62 11.787 -3.869 -2.406 531 HB VAL 62 HB VAL 62 8.908 -3.088 -2.892 532 HG11 VAL 62 HG11 VAL 62 9.435 -2.777 -0.589 533 HG12 VAL 62 HG12 VAL 62 10.997 -2.056 -0.981 534 HG13 VAL 62 HG13 VAL 62 9.506 -1.192 -1.360 535 HG21 VAL 62 HG21 VAL 62 9.782 -1.938 -4.607 536 HG22 VAL 62 HG22 VAL 62 10.429 -0.868 -3.363 537 HG23 VAL 62 HG23 VAL 62 11.436 -2.152 -4.032 538 H LYS 63 H LYS 63 8.644 -5.493 -2.772 539 HA LYS 63 HA LYS 63 8.093 -6.048 -0.128 540 HB2 LYS 63 HB2 LYS 63 6.438 -6.542 -1.758 541 HB3 LYS 63 HB3 LYS 63 7.518 -7.620 -2.634 542 HG2 LYS 63 HG2 LYS 63 7.047 -8.414 0.138 543 HG3 LYS 63 HG3 LYS 63 5.596 -8.402 -0.868 544 HD2 LYS 63 HD2 LYS 63 6.221 -10.288 -1.869 545 HD3 LYS 63 HD3 LYS 63 7.775 -9.581 -2.315 546 HE2 LYS 63 HE2 LYS 63 8.642 -10.147 -0.079 547 HE3 LYS 63 HE3 LYS 63 7.098 -10.902 0.312 548 HZ1 LYS 63 HZ1 LYS 63 8.767 -12.520 -0.393 549 HZ2 LYS 63 HZ2 LYS 63 7.447 -12.493 -1.451 550 HZ3 LYS 63 HZ3 LYS 63 8.901 -11.747 -1.892 551 H GLN 64 H GLN 64 10.183 -7.818 -2.361 552 HA GLN 64 HA GLN 64 10.712 -10.029 -0.714 553 HB2 GLN 64 HB2 GLN 64 11.447 -9.228 -3.252 554 HB3 GLN 64 HB3 GLN 64 12.971 -9.197 -2.373 555 HG2 GLN 64 HG2 GLN 64 12.576 -11.520 -1.662 556 HG3 GLN 64 HG3 GLN 64 11.098 -11.540 -2.623 557 HE21 GLN 64 HE21 GLN 64 12.740 -13.444 -3.254 558 HE22 GLN 64 HE22 GLN 64 13.622 -13.117 -4.704 559 H GLU 65 H GLU 65 12.421 -6.939 -1.084 560 HA GLU 65 HA GLU 65 14.330 -7.622 0.976 561 HB2 GLU 65 HB2 GLU 65 15.206 -5.345 0.593 562 HB3 GLU 65 HB3 GLU 65 15.077 -6.272 -0.895 563 HG2 GLU 65 HG2 GLU 65 13.227 -5.048 -1.634 564 HG3 GLU 65 HG3 GLU 65 12.920 -4.380 -0.033 565 H ALA 66 H ALA 66 11.187 -6.730 1.068 566 HA ALA 66 HA ALA 66 11.455 -4.994 3.415 567 HB1 ALA 66 HB1 ALA 66 9.947 -4.292 1.576 568 HB2 ALA 66 HB2 ALA 66 8.952 -5.713 1.896 569 HB3 ALA 66 HB3 ALA 66 9.127 -4.464 3.128 570 H ASN 67 H ASN 67 10.512 -8.189 2.444 571 HA ASN 67 HA ASN 67 9.996 -10.055 3.640 572 HB2 ASN 67 HB2 ASN 67 11.815 -8.962 5.175 573 HB3 ASN 67 HB3 ASN 67 10.447 -8.601 6.225 574 HD21 ASN 67 HD21 ASN 67 10.025 -10.060 7.703 575 HD22 ASN 67 HD22 ASN 67 10.412 -11.742 7.618 576 H VAL 68 H VAL 68 7.892 -8.572 2.801 577 HA VAL 68 HA VAL 68 5.934 -9.072 4.914 578 HB VAL 68 HB VAL 68 4.734 -6.937 4.252 579 HG11 VAL 68 HG11 VAL 68 5.836 -7.151 6.393 580 HG12 VAL 68 HG12 VAL 68 7.391 -6.745 5.666 581 HG13 VAL 68 HG13 VAL 68 6.113 -5.534 5.745 582 HG21 VAL 68 HG21 VAL 68 6.595 -6.783 2.284 583 HG22 VAL 68 HG22 VAL 68 5.651 -5.416 2.872 584 HG23 VAL 68 HG23 VAL 68 7.281 -5.690 3.486 585 H GLN 69 H GLN 69 3.638 -8.765 3.959 586 HA GLN 69 HA GLN 69 3.556 -10.321 1.506 587 HB2 GLN 69 HB2 GLN 69 1.837 -9.945 3.813 588 HB3 GLN 69 HB3 GLN 69 0.935 -9.795 2.310 589 HG2 GLN 69 HG2 GLN 69 1.842 -11.979 1.594 590 HG3 GLN 69 HG3 GLN 69 2.625 -12.132 3.166 591 HE21 GLN 69 HE21 GLN 69 0.912 -11.514 4.991 592 HE22 GLN 69 HE22 GLN 69 -0.548 -12.429 4.892 593 H VAL 70 H VAL 70 3.119 -9.517 -0.440 594 HA VAL 70 HA VAL 70 2.207 -6.727 -0.616 595 HB VAL 70 HB VAL 70 4.349 -7.076 -1.678 596 HG11 VAL 70 HG11 VAL 70 4.891 -8.978 -2.687 597 HG12 VAL 70 HG12 VAL 70 3.261 -9.578 -2.386 598 HG13 VAL 70 HG13 VAL 70 3.626 -8.734 -3.890 599 HG21 VAL 70 HG21 VAL 70 3.813 -6.334 -3.966 600 HG22 VAL 70 HG22 VAL 70 2.128 -6.782 -3.698 601 HG23 VAL 70 HG23 VAL 70 2.859 -5.490 -2.745 602 H TYR 71 H TYR 71 0.326 -6.228 -1.568 603 HA TYR 71 HA TYR 71 -1.067 -8.327 -3.092 604 HB2 TYR 71 HB2 TYR 71 -2.050 -6.706 -0.779 605 HB3 TYR 71 HB3 TYR 71 -3.189 -7.165 -2.040 606 HD1 TYR 71 HD1 TYR 71 -0.481 -8.789 -0.029 607 HD2 TYR 71 HD2 TYR 71 -4.401 -9.081 -1.655 608 HE1 TYR 71 HE1 TYR 71 -0.745 -10.995 1.024 609 HE2 TYR 71 HE2 TYR 71 -4.677 -11.289 -0.606 610 HH TYR 71 HH TYR 71 -2.168 -13.090 0.574 611 H ARG 72 H ARG 72 -2.159 -7.673 -4.890 612 HA ARG 72 HA ARG 72 -1.926 -4.820 -5.585 613 HB2 ARG 72 HB2 ARG 72 -1.722 -5.437 -7.873 614 HB3 ARG 72 HB3 ARG 72 -0.632 -6.484 -6.974 615 HG2 ARG 72 HG2 ARG 72 -2.446 -8.225 -7.015 616 HG3 ARG 72 HG3 ARG 72 -3.306 -7.184 -8.150 617 HD2 ARG 72 HD2 ARG 72 -1.390 -7.270 -9.674 618 HD3 ARG 72 HD3 ARG 72 -0.539 -8.317 -8.538 619 HE ARG 72 HE ARG 72 -3.022 -9.468 -9.186 620 HH11 ARG 72 HH11 ARG 72 0.085 -8.789 -10.601 621 HH12 ARG 72 HH12 ARG 72 0.017 -10.119 -11.710 622 HH21 ARG 72 HH21 ARG 72 -3.124 -11.223 -10.639 623 HH22 ARG 72 HH22 ARG 72 -1.810 -11.502 -11.731 624 H VAL 73 H VAL 73 -3.653 -3.798 -6.654 625 HA VAL 73 HA VAL 73 -6.177 -5.244 -6.879 626 HB VAL 73 HB VAL 73 -7.362 -3.348 -5.688 627 HG11 VAL 73 HG11 VAL 73 -6.748 -5.697 -4.783 628 HG12 VAL 73 HG12 VAL 73 -5.586 -4.823 -3.785 629 HG13 VAL 73 HG13 VAL 73 -7.307 -4.462 -3.656 630 HG21 VAL 73 HG21 VAL 73 -4.774 -2.282 -5.607 631 HG22 VAL 73 HG22 VAL 73 -6.224 -1.636 -4.838 632 HG23 VAL 73 HG23 VAL 73 -5.161 -2.725 -3.945 633 H THR 74 H THR 74 -7.591 -4.379 -8.367 634 HA THR 74 HA THR 74 -6.567 -2.084 -9.906 635 HB THR 74 HB THR 74 -8.271 -3.273 -11.647 636 HG1 THR 74 HG1 THR 74 -8.196 -5.452 -11.430 637 HG21 THR 74 HG21 THR 74 -5.377 -4.052 -11.270 638 HG22 THR 74 HG22 THR 74 -6.305 -4.148 -12.767 639 HG23 THR 74 HG23 THR 74 -5.934 -2.576 -12.059 640 H SER 75 H SER 75 -9.314 -3.497 -8.311 641 HA SER 75 HA SER 75 -10.970 -1.199 -9.112 642 HB2 SER 75 HB2 SER 75 -11.584 -4.045 -8.537 643 HB3 SER 75 HB3 SER 75 -12.767 -2.859 -7.986 644 HG SER 75 HG SER 75 -13.100 -3.647 -10.162 645 H ASN 76 H ASN 76 -12.513 -0.430 -7.425 646 HA ASN 76 HA ASN 76 -11.083 0.230 -5.050 647 HB2 ASN 76 HB2 ASN 76 -13.718 0.912 -6.235 648 HB3 ASN 76 HB3 ASN 76 -13.577 1.077 -4.487 649 HD21 ASN 76 HD21 ASN 76 -13.879 3.085 -6.623 650 HD22 ASN 76 HD22 ASN 76 -12.558 4.179 -6.416 651 H ASP 77 H ASP 77 -13.575 -2.086 -5.864 652 HA ASP 77 HA ASP 77 -14.384 -2.743 -3.242 653 HB2 ASP 77 HB2 ASP 77 -15.159 -3.482 -5.783 654 HB3 ASP 77 HB3 ASP 77 -14.450 -4.965 -5.149 655 H GLU 78 H GLU 78 -11.623 -3.634 -5.141 656 HA GLU 78 HA GLU 78 -10.910 -5.953 -3.637 657 HB2 GLU 78 HB2 GLU 78 -9.128 -4.210 -5.346 658 HB3 GLU 78 HB3 GLU 78 -8.805 -5.862 -4.837 659 HG2 GLU 78 HG2 GLU 78 -11.019 -4.977 -6.674 660 HG3 GLU 78 HG3 GLU 78 -9.524 -5.777 -7.154 661 H VAL 79 H VAL 79 -10.226 -2.529 -3.396 662 HA VAL 79 HA VAL 79 -8.109 -2.768 -1.497 663 HB VAL 79 HB VAL 79 -9.888 -0.407 -2.123 664 HG11 VAL 79 HG11 VAL 79 -8.977 0.053 -0.018 665 HG12 VAL 79 HG12 VAL 79 -7.429 -0.689 -0.426 666 HG13 VAL 79 HG13 VAL 79 -7.885 0.855 -1.149 667 HG21 VAL 79 HG21 VAL 79 -7.236 -0.058 -3.040 668 HG22 VAL 79 HG22 VAL 79 -7.778 -1.646 -3.586 669 HG23 VAL 79 HG23 VAL 79 -8.711 -0.206 -3.995 670 H GLU 80 H GLU 80 -11.590 -2.160 -1.262 671 HA GLU 80 HA GLU 80 -11.604 -1.785 1.556 672 HB2 GLU 80 HB2 GLU 80 -13.422 -0.873 0.322 673 HB3 GLU 80 HB3 GLU 80 -13.772 -2.418 -0.439 674 HG2 GLU 80 HG2 GLU 80 -15.430 -1.941 1.232 675 HG3 GLU 80 HG3 GLU 80 -14.456 -3.318 1.741 676 H GLN 81 H GLN 81 -11.819 -4.568 -0.534 677 HA GLN 81 HA GLN 81 -12.798 -6.378 1.440 678 HB2 GLN 81 HB2 GLN 81 -11.635 -6.629 -1.297 679 HB3 GLN 81 HB3 GLN 81 -11.700 -8.064 -0.283 680 HG2 GLN 81 HG2 GLN 81 -14.128 -6.371 -0.730 681 HG3 GLN 81 HG3 GLN 81 -13.641 -7.606 -1.891 682 HE21 GLN 81 HE21 GLN 81 -16.004 -7.379 -0.127 683 HE22 GLN 81 HE22 GLN 81 -16.037 -8.848 0.783 684 H VAL 82 H VAL 82 -9.569 -5.882 0.012 685 HA VAL 82 HA VAL 82 -8.172 -7.726 1.551 686 HB VAL 82 HB VAL 82 -7.120 -6.679 -0.348 687 HG11 VAL 82 HG11 VAL 82 -8.249 -4.457 -0.007 688 HG12 VAL 82 HG12 VAL 82 -7.016 -4.099 1.202 689 HG13 VAL 82 HG13 VAL 82 -6.552 -4.376 -0.477 690 HG21 VAL 82 HG21 VAL 82 -5.911 -7.000 2.164 691 HG22 VAL 82 HG22 VAL 82 -5.130 -7.015 0.583 692 HG23 VAL 82 HG23 VAL 82 -5.254 -5.508 1.492 693 H VAL 83 H VAL 83 -8.857 -4.308 2.218 694 HA VAL 83 HA VAL 83 -7.444 -4.258 4.693 695 HB VAL 83 HB VAL 83 -7.872 -2.206 3.420 696 HG11 VAL 83 HG11 VAL 83 -10.735 -2.283 4.296 697 HG12 VAL 83 HG12 VAL 83 -9.977 -1.300 3.043 698 HG13 VAL 83 HG13 VAL 83 -10.236 -3.024 2.775 699 HG21 VAL 83 HG21 VAL 83 -7.835 -2.461 6.091 700 HG22 VAL 83 HG22 VAL 83 -7.958 -0.904 5.271 701 HG23 VAL 83 HG23 VAL 83 -9.410 -1.692 5.891 702 H LYS 84 H LYS 84 -10.818 -4.756 3.783 703 HA LYS 84 HA LYS 84 -12.085 -4.613 6.211 704 HB2 LYS 84 HB2 LYS 84 -12.557 -6.023 3.681 705 HB3 LYS 84 HB3 LYS 84 -13.315 -6.786 5.073 706 HG2 LYS 84 HG2 LYS 84 -14.537 -4.801 5.584 707 HG3 LYS 84 HG3 LYS 84 -13.648 -3.879 4.370 708 HD2 LYS 84 HD2 LYS 84 -14.610 -5.267 2.604 709 HD3 LYS 84 HD3 LYS 84 -15.482 -6.212 3.814 710 HE2 LYS 84 HE2 LYS 84 -15.874 -3.281 3.878 711 HE3 LYS 84 HE3 LYS 84 -16.562 -4.137 2.500 712 HZ1 LYS 84 HZ1 LYS 84 -17.063 -5.351 5.081 713 HZ2 LYS 84 HZ2 LYS 84 -17.798 -3.844 4.848 714 HZ3 LYS 84 HZ3 LYS 84 -18.111 -5.113 3.773 715 H ASP 85 H ASP 85 -11.007 -7.708 4.802 716 HA ASP 85 HA ASP 85 -11.157 -9.074 7.291 717 HB2 ASP 85 HB2 ASP 85 -10.635 -9.740 4.536 718 HB3 ASP 85 HB3 ASP 85 -9.450 -10.523 5.579 719 H VAL 86 H VAL 86 -8.712 -7.209 5.725 720 HA VAL 86 HA VAL 86 -6.657 -6.505 6.416 721 HB VAL 86 HB VAL 86 -7.164 -7.938 9.020 722 HG11 VAL 86 HG11 VAL 86 -4.877 -6.876 8.263 723 HG12 VAL 86 HG12 VAL 86 -5.670 -5.378 8.750 724 HG13 VAL 86 HG13 VAL 86 -5.467 -6.687 9.914 725 HG21 VAL 86 HG21 VAL 86 -7.941 -5.112 8.307 726 HG22 VAL 86 HG22 VAL 86 -9.065 -6.465 8.433 727 HG23 VAL 86 HG23 VAL 86 -8.182 -5.916 9.858 728 H LYS 87 H LYS 87 -6.448 -8.486 4.758 729 HA LYS 87 HA LYS 87 -4.029 -9.747 5.353 730 HB2 LYS 87 HB2 LYS 87 -6.320 -11.116 6.403 731 HB3 LYS 87 HB3 LYS 87 -5.599 -12.093 5.131 732 HG2 LYS 87 HG2 LYS 87 -3.643 -12.400 6.283 733 HG3 LYS 87 HG3 LYS 87 -3.830 -10.911 7.214 734 HD2 LYS 87 HD2 LYS 87 -4.625 -12.130 8.896 735 HD3 LYS 87 HD3 LYS 87 -6.021 -12.529 7.892 736 HE2 LYS 87 HE2 LYS 87 -3.422 -14.057 7.993 737 HE3 LYS 87 HE3 LYS 87 -4.929 -14.539 8.770 738 HZ1 LYS 87 HZ1 LYS 87 -4.155 -14.685 5.974 739 HZ2 LYS 87 HZ2 LYS 87 -5.178 -15.691 6.870 740 HZ3 LYS 87 HZ3 LYS 87 -5.755 -14.219 6.268 741 H GLY 88 H GLY 88 -7.040 -9.843 3.540 742 HA2 GLY 88 HA2 GLY 88 -7.382 -9.923 1.262 743 HA3 GLY 88 HA3 GLY 88 -5.640 -9.823 1.050 744 H SER 89 H SER 89 -8.188 -11.671 0.331 745 HA SER 89 HA SER 89 -6.685 -14.195 0.561 746 HB2 SER 89 HB2 SER 89 -9.421 -13.547 1.143 747 HB3 SER 89 HB3 SER 89 -9.371 -14.738 -0.156 748 HG SER 89 HG SER 89 -9.323 -15.502 2.134 749 H GLY 90 H GLY 90 -8.520 -12.107 -1.594 750 HA2 GLY 90 HA2 GLY 90 -8.357 -11.880 -3.887 751 HA3 GLY 90 HA3 GLY 90 -7.095 -13.102 -3.875 752 H LEU 91 H LEU 91 -9.417 -12.717 -5.672 753 HA LEU 91 HA LEU 91 -10.232 -15.469 -5.778 754 HB2 LEU 91 HB2 LEU 91 -11.800 -14.418 -4.125 755 HB3 LEU 91 HB3 LEU 91 -12.381 -13.387 -5.431 756 HG LEU 91 HG LEU 91 -12.933 -15.602 -6.636 757 HD11 LEU 91 HD11 LEU 91 -13.440 -16.896 -4.090 758 HD12 LEU 91 HD12 LEU 91 -12.720 -17.541 -5.565 759 HD13 LEU 91 HD13 LEU 91 -11.718 -16.676 -4.400 760 HD21 LEU 91 HD21 LEU 91 -15.104 -15.423 -5.912 761 HD22 LEU 91 HD22 LEU 91 -14.639 -15.186 -4.227 762 HD23 LEU 91 HD23 LEU 91 -14.454 -13.870 -5.386 763 H GLU 92 H GLU 92 -10.484 -16.058 -7.841 764 HA GLU 92 HA GLU 92 -10.589 -13.938 -9.863 765 HB2 GLU 92 HB2 GLU 92 -9.055 -16.272 -9.638 766 HB3 GLU 92 HB3 GLU 92 -10.209 -16.604 -10.921 767 HG2 GLU 92 HG2 GLU 92 -9.029 -15.398 -12.343 768 HG3 GLU 92 HG3 GLU 92 -9.156 -13.986 -11.296 769 H HIS 93 H HIS 93 -12.071 -13.977 -11.563 770 HA HIS 93 HA HIS 93 -14.588 -15.267 -10.916 771 HB2 HIS 93 HB2 HIS 93 -15.532 -13.875 -12.682 772 HB3 HIS 93 HB3 HIS 93 -14.550 -12.894 -11.597 773 HD1 HIS 93 HD1 HIS 93 -12.255 -12.039 -12.540 774 HD2 HIS 93 HD2 HIS 93 -14.686 -13.951 -15.314 775 HE1 HIS 93 HE1 HIS 93 -11.291 -11.462 -14.789 776 H HIS 94 H HIS 94 -15.805 -15.775 -13.231 777 HA HIS 94 HA HIS 94 -14.265 -17.165 -15.157 778 HB2 HIS 94 HB2 HIS 94 -14.935 -19.467 -14.610 779 HB3 HIS 94 HB3 HIS 94 -13.947 -18.766 -13.331 780 HD1 HIS 94 HD1 HIS 94 -16.949 -20.641 -13.807 781 HD2 HIS 94 HD2 HIS 94 -15.718 -17.696 -11.147 782 HE1 HIS 94 HE1 HIS 94 -18.513 -20.812 -11.845 783 H HIS 95 H HIS 95 -15.833 -18.768 -16.406 784 HA HIS 95 HA HIS 95 -18.537 -17.628 -16.471 785 HB2 HIS 95 HB2 HIS 95 -16.648 -16.892 -18.305 786 HB3 HIS 95 HB3 HIS 95 -17.409 -18.257 -19.116 787 HD1 HIS 95 HD1 HIS 95 -20.323 -17.865 -18.423 788 HD2 HIS 95 HD2 HIS 95 -17.799 -14.730 -19.455 789 HE1 HIS 95 HE1 HIS 95 -21.832 -16.031 -19.248 790 H HIS 96 H HIS 96 -16.544 -20.060 -18.163 791 HA HIS 96 HA HIS 96 -16.947 -22.229 -18.724 792 HB2 HIS 96 HB2 HIS 96 -17.510 -21.953 -15.998 793 HB3 HIS 96 HB3 HIS 96 -18.859 -22.880 -16.645 794 HD1 HIS 96 HD1 HIS 96 -16.428 -23.889 -14.757 795 HD2 HIS 96 HD2 HIS 96 -16.966 -24.630 -18.809 796 HE1 HIS 96 HE1 HIS 96 -15.133 -25.990 -15.234 797 H HIS 97 H HIS 97 -18.986 -23.914 -18.774 798 HA HIS 97 HA HIS 97 -21.440 -22.610 -19.565 799 HB2 HIS 97 HB2 HIS 97 -19.913 -22.480 -21.577 800 HB3 HIS 97 HB3 HIS 97 -19.955 -24.239 -21.631 801 HD1 HIS 97 HD1 HIS 97 -22.617 -25.165 -21.677 802 HD2 HIS 97 HD2 HIS 97 -21.777 -21.386 -23.185 803 HE1 HIS 97 HE1 HIS 97 -24.551 -24.596 -23.181 804 H HIS 98 H HIS 98 -22.391 -23.874 -17.963 805 HA HIS 98 HA HIS 98 -22.958 -26.606 -18.776 806 HB2 HIS 98 HB2 HIS 98 -20.989 -26.811 -17.296 807 HB3 HIS 98 HB3 HIS 98 -21.875 -25.977 -16.022 808 HD1 HIS 98 HD1 HIS 98 -21.407 -29.285 -17.582 809 HD2 HIS 98 HD2 HIS 98 -24.024 -27.500 -14.894 810 HE1 HIS 98 HE1 HIS 98 -22.631 -31.182 -16.474 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -4.710 -8.634 12.368 2 HA2 GLY 1 HA2 GLY 1 -2.507 -7.425 12.603 3 HA3 GLY 1 HA3 GLY 1 -2.783 -8.088 11.000 4 H ARG 2 H ARG 2 -1.082 -6.240 10.776 5 HA ARG 2 HA ARG 2 -2.340 -3.621 10.512 6 HB2 ARG 2 HB2 ARG 2 0.398 -4.626 10.793 7 HB3 ARG 2 HB3 ARG 2 0.241 -3.343 9.601 8 HG2 ARG 2 HG2 ARG 2 -1.162 -2.791 12.100 9 HG3 ARG 2 HG3 ARG 2 0.582 -2.987 12.285 10 HD2 ARG 2 HD2 ARG 2 0.628 -0.803 11.737 11 HD3 ARG 2 HD3 ARG 2 0.500 -1.420 10.091 12 HE ARG 2 HE ARG 2 -2.078 -1.164 10.820 13 HH11 ARG 2 HH11 ARG 2 0.644 1.001 10.986 14 HH12 ARG 2 HH12 ARG 2 -0.317 2.432 10.808 15 HH21 ARG 2 HH21 ARG 2 -3.354 0.713 10.585 16 HH22 ARG 2 HH22 ARG 2 -2.591 2.266 10.581 17 H VAL 3 H VAL 3 -2.365 -2.446 8.560 18 HA VAL 3 HA VAL 3 -1.639 -3.801 6.096 19 HB VAL 3 HB VAL 3 -4.495 -2.965 6.621 20 HG11 VAL 3 HG11 VAL 3 -3.874 -2.479 4.342 21 HG12 VAL 3 HG12 VAL 3 -3.178 -4.088 4.153 22 HG13 VAL 3 HG13 VAL 3 -4.918 -3.901 4.369 23 HG21 VAL 3 HG21 VAL 3 -3.276 -5.695 6.216 24 HG22 VAL 3 HG22 VAL 3 -3.970 -5.067 7.710 25 HG23 VAL 3 HG23 VAL 3 -5.004 -5.356 6.311 26 H VAL 4 H VAL 4 -1.403 -2.415 4.338 27 HA VAL 4 HA VAL 4 -1.897 0.441 4.825 28 HB VAL 4 HB VAL 4 0.678 -0.714 3.749 29 HG11 VAL 4 HG11 VAL 4 -0.424 2.057 3.821 30 HG12 VAL 4 HG12 VAL 4 1.313 1.809 3.986 31 HG13 VAL 4 HG13 VAL 4 0.474 1.237 2.544 32 HG21 VAL 4 HG21 VAL 4 0.429 1.025 6.171 33 HG22 VAL 4 HG22 VAL 4 0.148 -0.712 6.289 34 HG23 VAL 4 HG23 VAL 4 1.709 -0.108 5.734 35 H VAL 5 H VAL 5 -2.626 1.566 3.098 36 HA VAL 5 HA VAL 5 -2.967 0.067 0.590 37 HB VAL 5 HB VAL 5 -4.497 2.498 1.525 38 HG11 VAL 5 HG11 VAL 5 -4.716 0.701 -0.867 39 HG12 VAL 5 HG12 VAL 5 -6.096 1.630 -0.284 40 HG13 VAL 5 HG13 VAL 5 -4.631 2.461 -0.808 41 HG21 VAL 5 HG21 VAL 5 -6.350 0.644 1.638 42 HG22 VAL 5 HG22 VAL 5 -4.968 -0.426 1.872 43 HG23 VAL 5 HG23 VAL 5 -5.254 0.904 2.995 44 H VAL 6 H VAL 6 -2.060 0.765 -1.247 45 HA VAL 6 HA VAL 6 -0.927 3.483 -1.305 46 HB VAL 6 HB VAL 6 0.416 1.029 -2.445 47 HG11 VAL 6 HG11 VAL 6 0.924 3.935 -2.609 48 HG12 VAL 6 HG12 VAL 6 2.331 2.902 -2.352 49 HG13 VAL 6 HG13 VAL 6 1.297 2.650 -3.758 50 HG21 VAL 6 HG21 VAL 6 1.234 0.651 -0.414 51 HG22 VAL 6 HG22 VAL 6 2.016 2.231 -0.468 52 HG23 VAL 6 HG23 VAL 6 0.402 2.070 0.224 53 H VAL 7 H VAL 7 -0.953 4.537 -3.282 54 HA VAL 7 HA VAL 7 -2.257 3.144 -5.519 55 HB VAL 7 HB VAL 7 -3.574 5.187 -6.005 56 HG11 VAL 7 HG11 VAL 7 -5.016 3.757 -5.026 57 HG12 VAL 7 HG12 VAL 7 -3.956 3.465 -3.647 58 HG13 VAL 7 HG13 VAL 7 -4.953 4.918 -3.701 59 HG21 VAL 7 HG21 VAL 7 -3.786 6.954 -4.411 60 HG22 VAL 7 HG22 VAL 7 -2.777 6.098 -3.244 61 HG23 VAL 7 HG23 VAL 7 -2.066 6.727 -4.731 62 H THR 8 H THR 8 -2.198 4.674 -7.528 63 HA THR 8 HA THR 8 0.586 5.544 -7.801 64 HB THR 8 HB THR 8 -0.499 5.692 -10.325 65 HG1 THR 8 HG1 THR 8 -1.535 3.319 -9.151 66 HG21 THR 8 HG21 THR 8 0.532 3.043 -9.504 67 HG22 THR 8 HG22 THR 8 1.048 4.106 -10.814 68 HG23 THR 8 HG23 THR 8 1.568 4.429 -9.160 69 H SER 9 H SER 9 -2.607 6.773 -7.624 70 HA SER 9 HA SER 9 -1.648 9.420 -8.495 71 HB2 SER 9 HB2 SER 9 -4.477 9.400 -8.552 72 HB3 SER 9 HB3 SER 9 -3.372 9.486 -9.923 73 HG SER 9 HG SER 9 -3.494 7.314 -10.169 74 H GLU 10 H GLU 10 -2.188 11.204 -7.252 75 HA GLU 10 HA GLU 10 -2.454 10.774 -4.477 76 HB2 GLU 10 HB2 GLU 10 -2.608 13.219 -4.307 77 HB3 GLU 10 HB3 GLU 10 -1.299 12.726 -5.372 78 HG2 GLU 10 HG2 GLU 10 -3.090 13.039 -7.243 79 HG3 GLU 10 HG3 GLU 10 -3.884 14.046 -6.034 80 H GLN 11 H GLN 11 -4.761 11.484 -7.005 81 HA GLN 11 HA GLN 11 -6.924 12.344 -5.473 82 HB2 GLN 11 HB2 GLN 11 -6.589 12.128 -8.073 83 HB3 GLN 11 HB3 GLN 11 -7.367 10.569 -7.838 84 HG2 GLN 11 HG2 GLN 11 -8.533 13.212 -6.995 85 HG3 GLN 11 HG3 GLN 11 -8.930 12.361 -8.488 86 HE21 GLN 11 HE21 GLN 11 -9.745 10.118 -8.205 87 HE22 GLN 11 HE22 GLN 11 -10.805 9.814 -6.875 88 H VAL 12 H VAL 12 -6.102 9.043 -6.524 89 HA VAL 12 HA VAL 12 -8.232 7.732 -5.274 90 HB VAL 12 HB VAL 12 -5.474 6.570 -5.658 91 HG11 VAL 12 HG11 VAL 12 -8.227 5.349 -5.528 92 HG12 VAL 12 HG12 VAL 12 -6.770 4.472 -5.994 93 HG13 VAL 12 HG13 VAL 12 -6.911 5.145 -4.370 94 HG21 VAL 12 HG21 VAL 12 -6.713 5.759 -7.855 95 HG22 VAL 12 HG22 VAL 12 -7.586 7.275 -7.626 96 HG23 VAL 12 HG23 VAL 12 -5.830 7.284 -7.797 97 H LYS 13 H LYS 13 -5.006 8.554 -4.075 98 HA LYS 13 HA LYS 13 -5.095 7.186 -1.645 99 HB2 LYS 13 HB2 LYS 13 -3.081 8.287 -2.633 100 HB3 LYS 13 HB3 LYS 13 -3.752 9.843 -2.164 101 HG2 LYS 13 HG2 LYS 13 -3.821 8.356 0.169 102 HG3 LYS 13 HG3 LYS 13 -2.292 7.904 -0.591 103 HD2 LYS 13 HD2 LYS 13 -1.845 10.372 -0.879 104 HD3 LYS 13 HD3 LYS 13 -3.244 10.663 0.157 105 HE2 LYS 13 HE2 LYS 13 -2.191 9.387 1.949 106 HE3 LYS 13 HE3 LYS 13 -0.803 9.058 0.912 107 HZ1 LYS 13 HZ1 LYS 13 -0.240 11.355 0.891 108 HZ2 LYS 13 HZ2 LYS 13 -1.670 11.789 1.685 109 HZ3 LYS 13 HZ3 LYS 13 -0.477 10.914 2.507 110 H GLU 14 H GLU 14 -6.069 10.522 -2.402 111 HA GLU 14 HA GLU 14 -6.819 11.332 0.143 112 HB2 GLU 14 HB2 GLU 14 -7.858 12.086 -2.582 113 HB3 GLU 14 HB3 GLU 14 -8.466 12.840 -1.115 114 HG2 GLU 14 HG2 GLU 14 -6.514 13.959 -0.709 115 HG3 GLU 14 HG3 GLU 14 -5.530 12.780 -1.575 116 H GLU 15 H GLU 15 -8.765 9.696 -2.336 117 HA GLU 15 HA GLU 15 -11.171 9.643 -0.873 118 HB2 GLU 15 HB2 GLU 15 -11.580 9.157 -3.068 119 HB3 GLU 15 HB3 GLU 15 -10.092 8.241 -3.255 120 HG2 GLU 15 HG2 GLU 15 -11.025 6.295 -2.452 121 HG3 GLU 15 HG3 GLU 15 -12.298 7.144 -1.576 122 H VAL 16 H VAL 16 -8.397 7.491 -0.951 123 HA VAL 16 HA VAL 16 -9.601 5.382 0.537 124 HB VAL 16 HB VAL 16 -6.676 6.036 0.159 125 HG11 VAL 16 HG11 VAL 16 -6.283 3.696 0.774 126 HG12 VAL 16 HG12 VAL 16 -7.035 4.596 2.090 127 HG13 VAL 16 HG13 VAL 16 -8.003 3.498 1.106 128 HG21 VAL 16 HG21 VAL 16 -7.788 3.748 -1.267 129 HG22 VAL 16 HG22 VAL 16 -8.501 5.287 -1.751 130 HG23 VAL 16 HG23 VAL 16 -6.756 5.054 -1.849 131 H ARG 17 H ARG 17 -7.480 8.091 1.400 132 HA ARG 17 HA ARG 17 -7.185 7.438 4.120 133 HB2 ARG 17 HB2 ARG 17 -5.938 9.189 2.632 134 HB3 ARG 17 HB3 ARG 17 -7.209 10.280 3.168 135 HG2 ARG 17 HG2 ARG 17 -6.463 9.270 5.536 136 HG3 ARG 17 HG3 ARG 17 -4.939 9.133 4.656 137 HD2 ARG 17 HD2 ARG 17 -4.677 11.385 4.486 138 HD3 ARG 17 HD3 ARG 17 -6.412 11.689 4.409 139 HE ARG 17 HE ARG 17 -5.888 10.800 6.973 140 HH11 ARG 17 HH11 ARG 17 -4.945 13.470 4.947 141 HH12 ARG 17 HH12 ARG 17 -4.718 14.564 6.271 142 HH21 ARG 17 HH21 ARG 17 -5.592 12.231 8.725 143 HH22 ARG 17 HH22 ARG 17 -5.086 13.858 8.420 144 H LYS 18 H LYS 18 -9.703 9.093 2.360 145 HA LYS 18 HA LYS 18 -10.997 10.201 4.656 146 HB2 LYS 18 HB2 LYS 18 -11.189 10.628 1.966 147 HB3 LYS 18 HB3 LYS 18 -12.649 9.697 2.271 148 HG2 LYS 18 HG2 LYS 18 -13.318 11.309 3.983 149 HG3 LYS 18 HG3 LYS 18 -11.855 12.245 3.669 150 HD2 LYS 18 HD2 LYS 18 -12.860 12.055 1.169 151 HD3 LYS 18 HD3 LYS 18 -14.352 12.041 2.113 152 HE2 LYS 18 HE2 LYS 18 -13.874 14.136 3.084 153 HE3 LYS 18 HE3 LYS 18 -12.194 14.087 2.550 154 HZ1 LYS 18 HZ1 LYS 18 -12.999 14.237 0.248 155 HZ2 LYS 18 HZ2 LYS 18 -14.585 14.390 0.816 156 HZ3 LYS 18 HZ3 LYS 18 -13.441 15.585 1.171 157 H LYS 19 H LYS 19 -11.391 7.271 2.730 158 HA LYS 19 HA LYS 19 -13.770 6.380 3.981 159 HB2 LYS 19 HB2 LYS 19 -11.862 5.365 2.038 160 HB3 LYS 19 HB3 LYS 19 -12.420 4.099 3.123 161 HG2 LYS 19 HG2 LYS 19 -14.777 4.941 2.585 162 HG3 LYS 19 HG3 LYS 19 -14.017 5.792 1.239 163 HD2 LYS 19 HD2 LYS 19 -12.965 3.256 1.045 164 HD3 LYS 19 HD3 LYS 19 -14.626 2.957 1.562 165 HE2 LYS 19 HE2 LYS 19 -15.358 4.500 -0.289 166 HE3 LYS 19 HE3 LYS 19 -13.691 4.483 -0.861 167 HZ1 LYS 19 HZ1 LYS 19 -15.447 2.104 -0.573 168 HZ2 LYS 19 HZ2 LYS 19 -15.040 2.861 -2.031 169 HZ3 LYS 19 HZ3 LYS 19 -13.846 2.083 -1.118 170 H PHE 20 H PHE 20 -10.342 5.782 4.608 171 HA PHE 20 HA PHE 20 -11.058 4.848 7.288 172 HB2 PHE 20 HB2 PHE 20 -9.002 3.395 5.622 173 HB3 PHE 20 HB3 PHE 20 -9.668 2.912 7.179 174 HD1 PHE 20 HD1 PHE 20 -9.800 2.357 3.742 175 HD2 PHE 20 HD2 PHE 20 -12.304 2.618 7.174 176 HE1 PHE 20 HE1 PHE 20 -11.514 1.022 2.588 177 HE2 PHE 20 HE2 PHE 20 -14.022 1.282 6.027 178 HZ PHE 20 HZ PHE 20 -13.629 0.483 3.730 179 HA PRO 21 HA PRO 21 -7.655 7.976 7.329 180 HB2 PRO 21 HB2 PRO 21 -8.649 9.353 9.447 181 HB3 PRO 21 HB3 PRO 21 -9.152 9.659 7.780 182 HG2 PRO 21 HG2 PRO 21 -10.516 8.053 9.906 183 HG3 PRO 21 HG3 PRO 21 -11.216 9.200 8.750 184 HD2 PRO 21 HD2 PRO 21 -11.334 6.518 8.394 185 HD3 PRO 21 HD3 PRO 21 -11.229 7.657 7.036 186 H GLN 22 H GLN 22 -9.132 5.957 9.777 187 HA GLN 22 HA GLN 22 -7.129 6.305 11.763 188 HB2 GLN 22 HB2 GLN 22 -9.467 4.556 11.347 189 HB3 GLN 22 HB3 GLN 22 -8.185 3.864 12.334 190 HG2 GLN 22 HG2 GLN 22 -8.314 5.673 13.890 191 HG3 GLN 22 HG3 GLN 22 -9.436 6.549 12.851 192 HE21 GLN 22 HE21 GLN 22 -10.153 6.164 15.397 193 HE22 GLN 22 HE22 GLN 22 -11.403 4.978 15.517 194 H VAL 23 H VAL 23 -7.416 4.307 8.942 195 HA VAL 23 HA VAL 23 -5.294 2.504 9.726 196 HB VAL 23 HB VAL 23 -7.340 2.059 8.124 197 HG11 VAL 23 HG11 VAL 23 -6.207 3.936 6.602 198 HG12 VAL 23 HG12 VAL 23 -5.374 2.521 5.959 199 HG13 VAL 23 HG13 VAL 23 -7.136 2.596 5.928 200 HG21 VAL 23 HG21 VAL 23 -5.251 0.619 8.830 201 HG22 VAL 23 HG22 VAL 23 -6.320 0.096 7.527 202 HG23 VAL 23 HG23 VAL 23 -4.785 0.880 7.148 203 H GLU 24 H GLU 24 -3.464 2.155 8.113 204 HA GLU 24 HA GLU 24 -2.189 4.738 7.663 205 HB2 GLU 24 HB2 GLU 24 -1.292 2.092 8.359 206 HB3 GLU 24 HB3 GLU 24 -0.440 2.654 6.929 207 HG2 GLU 24 HG2 GLU 24 -0.587 4.027 9.600 208 HG3 GLU 24 HG3 GLU 24 0.817 3.238 8.883 209 H VAL 25 H VAL 25 -1.962 5.635 5.722 210 HA VAL 25 HA VAL 25 -2.172 3.938 3.332 211 HB VAL 25 HB VAL 25 -3.607 6.568 3.729 212 HG11 VAL 25 HG11 VAL 25 -4.512 5.426 1.386 213 HG12 VAL 25 HG12 VAL 25 -3.400 6.788 1.518 214 HG13 VAL 25 HG13 VAL 25 -2.771 5.151 1.334 215 HG21 VAL 25 HG21 VAL 25 -4.934 3.985 3.033 216 HG22 VAL 25 HG22 VAL 25 -4.501 4.317 4.710 217 HG23 VAL 25 HG23 VAL 25 -5.593 5.403 3.850 218 H ARG 26 H ARG 26 -0.549 4.258 1.961 219 HA ARG 26 HA ARG 26 0.778 6.879 1.911 220 HB2 ARG 26 HB2 ARG 26 2.147 4.185 2.016 221 HB3 ARG 26 HB3 ARG 26 2.964 5.706 1.683 222 HG2 ARG 26 HG2 ARG 26 1.383 5.792 4.120 223 HG3 ARG 26 HG3 ARG 26 2.633 4.546 4.151 224 HD2 ARG 26 HD2 ARG 26 4.301 6.050 4.226 225 HD3 ARG 26 HD3 ARG 26 3.512 7.127 3.074 226 HE ARG 26 HE ARG 26 2.663 8.319 4.829 227 HH11 ARG 26 HH11 ARG 26 3.750 5.219 5.983 228 HH12 ARG 26 HH12 ARG 26 3.510 5.612 7.655 229 HH21 ARG 26 HH21 ARG 26 2.343 8.847 7.025 230 HH22 ARG 26 HH22 ARG 26 2.709 7.675 8.245 231 H VAL 27 H VAL 27 0.805 7.687 -0.072 232 HA VAL 27 HA VAL 27 0.288 5.934 -2.345 233 HB VAL 27 HB VAL 27 -1.080 7.901 -2.271 234 HG11 VAL 27 HG11 VAL 27 0.213 9.347 -0.879 235 HG12 VAL 27 HG12 VAL 27 1.513 9.421 -2.068 236 HG13 VAL 27 HG13 VAL 27 -0.043 10.174 -2.415 237 HG21 VAL 27 HG21 VAL 27 0.751 8.849 -4.364 238 HG22 VAL 27 HG22 VAL 27 0.344 7.135 -4.450 239 HG23 VAL 27 HG23 VAL 27 -0.936 8.347 -4.471 240 H VAL 28 H VAL 28 1.736 5.446 -3.888 241 HA VAL 28 HA VAL 28 4.346 6.812 -3.811 242 HB VAL 28 HB VAL 28 5.480 4.751 -4.299 243 HG11 VAL 28 HG11 VAL 28 4.888 3.412 -2.258 244 HG12 VAL 28 HG12 VAL 28 5.191 5.125 -1.968 245 HG13 VAL 28 HG13 VAL 28 3.535 4.516 -2.011 246 HG21 VAL 28 HG21 VAL 28 3.819 2.642 -4.046 247 HG22 VAL 28 HG22 VAL 28 2.745 3.793 -4.841 248 HG23 VAL 28 HG23 VAL 28 4.276 3.349 -5.595 249 H THR 29 H THR 29 5.309 7.283 -5.751 250 HA THR 29 HA THR 29 3.785 6.601 -8.181 251 HB THR 29 HB THR 29 4.264 8.778 -9.117 252 HG1 THR 29 HG1 THR 29 6.175 9.411 -8.258 253 HG21 THR 29 HG21 THR 29 2.547 9.788 -8.072 254 HG22 THR 29 HG22 THR 29 2.477 8.318 -7.100 255 HG23 THR 29 HG23 THR 29 3.346 9.729 -6.500 256 H THR 30 H THR 30 6.912 7.256 -6.726 257 HA THR 30 HA THR 30 8.204 6.110 -9.117 258 HB THR 30 HB THR 30 10.090 7.525 -7.480 259 HG1 THR 30 HG1 THR 30 9.182 9.635 -7.781 260 HG21 THR 30 HG21 THR 30 10.742 8.475 -9.511 261 HG22 THR 30 HG22 THR 30 10.058 6.922 -9.993 262 HG23 THR 30 HG23 THR 30 9.112 8.398 -10.180 263 H GLU 31 H GLU 31 10.424 5.155 -8.545 264 HA GLU 31 HA GLU 31 10.019 3.043 -6.702 265 HB2 GLU 31 HB2 GLU 31 12.626 3.922 -7.951 266 HB3 GLU 31 HB3 GLU 31 12.267 2.342 -7.269 267 HG2 GLU 31 HG2 GLU 31 10.488 2.102 -9.024 268 HG3 GLU 31 HG3 GLU 31 11.131 3.566 -9.766 269 H GLU 32 H GLU 32 11.849 6.054 -6.572 270 HA GLU 32 HA GLU 32 13.163 5.522 -4.119 271 HB2 GLU 32 HB2 GLU 32 13.108 7.613 -6.032 272 HB3 GLU 32 HB3 GLU 32 12.733 8.333 -4.471 273 HG2 GLU 32 HG2 GLU 32 14.768 7.443 -3.528 274 HG3 GLU 32 HG3 GLU 32 15.129 6.599 -5.033 275 H ASP 33 H ASP 33 10.148 7.181 -4.938 276 HA ASP 33 HA ASP 33 9.513 8.168 -2.406 277 HB2 ASP 33 HB2 ASP 33 8.028 7.580 -4.893 278 HB3 ASP 33 HB3 ASP 33 7.056 7.643 -3.425 279 H ALA 34 H ALA 34 8.530 5.101 -3.925 280 HA ALA 34 HA ALA 34 7.066 4.087 -1.773 281 HB1 ALA 34 HB1 ALA 34 8.612 2.598 -3.892 282 HB2 ALA 34 HB2 ALA 34 7.419 1.878 -2.811 283 HB3 ALA 34 HB3 ALA 34 6.925 3.105 -3.978 284 H LYS 35 H LYS 35 10.510 3.831 -2.536 285 HA LYS 35 HA LYS 35 11.316 1.983 -0.655 286 HB2 LYS 35 HB2 LYS 35 12.571 3.779 -2.391 287 HB3 LYS 35 HB3 LYS 35 13.192 4.189 -0.797 288 HG2 LYS 35 HG2 LYS 35 14.118 2.068 -0.482 289 HG3 LYS 35 HG3 LYS 35 13.154 1.358 -1.779 290 HD2 LYS 35 HD2 LYS 35 15.053 3.558 -2.440 291 HD3 LYS 35 HD3 LYS 35 15.697 1.943 -2.136 292 HE2 LYS 35 HE2 LYS 35 14.790 1.079 -4.026 293 HE3 LYS 35 HE3 LYS 35 13.368 2.118 -3.949 294 HZ1 LYS 35 HZ1 LYS 35 14.791 3.974 -4.681 295 HZ2 LYS 35 HZ2 LYS 35 16.082 2.895 -4.869 296 HZ3 LYS 35 HZ3 LYS 35 14.696 2.732 -5.827 297 H GLN 36 H GLN 36 11.125 5.516 -0.228 298 HA GLN 36 HA GLN 36 11.816 5.481 2.512 299 HB2 GLN 36 HB2 GLN 36 10.487 7.504 0.730 300 HB3 GLN 36 HB3 GLN 36 10.664 7.796 2.455 301 HG2 GLN 36 HG2 GLN 36 13.185 7.077 1.816 302 HG3 GLN 36 HG3 GLN 36 12.669 7.838 0.312 303 HE21 GLN 36 HE21 GLN 36 12.543 8.386 3.816 304 HE22 GLN 36 HE22 GLN 36 12.861 10.081 3.735 305 H VAL 37 H VAL 37 8.812 5.048 0.809 306 HA VAL 37 HA VAL 37 7.067 5.512 3.001 307 HB VAL 37 HB VAL 37 6.687 3.964 0.440 308 HG11 VAL 37 HG11 VAL 37 4.225 4.167 1.034 309 HG12 VAL 37 HG12 VAL 37 5.158 2.968 1.927 310 HG13 VAL 37 HG13 VAL 37 4.759 4.512 2.679 311 HG21 VAL 37 HG21 VAL 37 4.995 6.207 0.626 312 HG22 VAL 37 HG22 VAL 37 6.598 6.739 1.132 313 HG23 VAL 37 HG23 VAL 37 6.378 5.978 -0.444 314 H VAL 38 H VAL 38 8.157 2.476 1.474 315 HA VAL 38 HA VAL 38 6.991 0.721 3.294 316 HB VAL 38 HB VAL 38 8.708 -0.924 2.564 317 HG11 VAL 38 HG11 VAL 38 7.918 0.362 0.032 318 HG12 VAL 38 HG12 VAL 38 7.628 -1.278 0.614 319 HG13 VAL 38 HG13 VAL 38 6.614 0.051 1.178 320 HG21 VAL 38 HG21 VAL 38 9.818 1.413 1.011 321 HG22 VAL 38 HG22 VAL 38 10.603 0.597 2.364 322 HG23 VAL 38 HG23 VAL 38 10.330 -0.267 0.851 323 H LYS 39 H LYS 39 10.037 2.463 3.438 324 HA LYS 39 HA LYS 39 11.079 1.072 5.694 325 HB2 LYS 39 HB2 LYS 39 11.743 3.782 4.534 326 HB3 LYS 39 HB3 LYS 39 12.646 3.023 5.838 327 HG2 LYS 39 HG2 LYS 39 12.314 1.321 3.488 328 HG3 LYS 39 HG3 LYS 39 13.219 2.806 3.182 329 HD2 LYS 39 HD2 LYS 39 14.915 2.228 4.630 330 HD3 LYS 39 HD3 LYS 39 13.878 1.171 5.591 331 HE2 LYS 39 HE2 LYS 39 14.541 -0.594 4.418 332 HE3 LYS 39 HE3 LYS 39 14.016 0.170 2.919 333 HZ1 LYS 39 HZ1 LYS 39 16.126 0.409 2.348 334 HZ2 LYS 39 HZ2 LYS 39 16.418 1.363 3.715 335 HZ3 LYS 39 HZ3 LYS 39 16.631 -0.314 3.793 336 H GLU 40 H GLU 40 9.460 4.219 5.316 337 HA GLU 40 HA GLU 40 9.482 4.931 8.031 338 HB2 GLU 40 HB2 GLU 40 7.849 5.748 5.661 339 HB3 GLU 40 HB3 GLU 40 7.356 6.278 7.264 340 HG2 GLU 40 HG2 GLU 40 10.114 6.779 7.071 341 HG3 GLU 40 HG3 GLU 40 9.391 7.326 5.559 342 H VAL 41 H VAL 41 7.036 3.239 6.094 343 HA VAL 41 HA VAL 41 5.160 2.958 8.203 344 HB VAL 41 HB VAL 41 4.638 2.752 5.751 345 HG11 VAL 41 HG11 VAL 41 4.960 0.586 4.679 346 HG12 VAL 41 HG12 VAL 41 6.508 1.296 5.139 347 HG13 VAL 41 HG13 VAL 41 5.812 -0.004 6.107 348 HG21 VAL 41 HG21 VAL 41 3.446 0.305 6.574 349 HG22 VAL 41 HG22 VAL 41 3.553 1.368 7.977 350 HG23 VAL 41 HG23 VAL 41 2.729 1.914 6.516 351 H GLN 42 H GLN 42 7.887 1.049 7.115 352 HA GLN 42 HA GLN 42 7.290 -1.338 8.482 353 HB2 GLN 42 HB2 GLN 42 9.672 -0.138 7.210 354 HB3 GLN 42 HB3 GLN 42 9.996 -1.353 8.439 355 HG2 GLN 42 HG2 GLN 42 8.710 -2.986 7.250 356 HG3 GLN 42 HG3 GLN 42 8.175 -1.777 6.083 357 HE21 GLN 42 HE21 GLN 42 9.359 -4.095 5.250 358 HE22 GLN 42 HE22 GLN 42 10.919 -3.750 4.592 359 H LYS 43 H LYS 43 8.992 1.591 9.459 360 HA LYS 43 HA LYS 43 9.906 0.599 11.956 361 HB2 LYS 43 HB2 LYS 43 10.291 2.907 10.468 362 HB3 LYS 43 HB3 LYS 43 9.420 3.474 11.888 363 HG2 LYS 43 HG2 LYS 43 11.103 2.798 13.344 364 HG3 LYS 43 HG3 LYS 43 11.818 1.703 12.159 365 HD2 LYS 43 HD2 LYS 43 12.974 3.360 11.127 366 HD3 LYS 43 HD3 LYS 43 11.715 4.564 11.417 367 HE2 LYS 43 HE2 LYS 43 12.589 5.193 13.406 368 HE3 LYS 43 HE3 LYS 43 13.120 3.561 13.809 369 HZ1 LYS 43 HZ1 LYS 43 14.530 5.673 12.387 370 HZ2 LYS 43 HZ2 LYS 43 15.129 4.481 13.428 371 HZ3 LYS 43 HZ3 LYS 43 14.772 4.097 11.818 372 H LYS 44 H LYS 44 6.984 2.261 10.917 373 HA LYS 44 HA LYS 44 5.948 2.789 13.494 374 HB2 LYS 44 HB2 LYS 44 5.238 3.626 11.079 375 HB3 LYS 44 HB3 LYS 44 4.114 2.278 11.196 376 HG2 LYS 44 HG2 LYS 44 2.980 4.226 11.934 377 HG3 LYS 44 HG3 LYS 44 3.313 3.238 13.358 378 HD2 LYS 44 HD2 LYS 44 4.443 4.907 14.297 379 HD3 LYS 44 HD3 LYS 44 5.509 5.016 12.895 380 HE2 LYS 44 HE2 LYS 44 4.390 6.770 12.019 381 HE3 LYS 44 HE3 LYS 44 2.820 6.161 12.538 382 HZ1 LYS 44 HZ1 LYS 44 3.614 8.261 13.638 383 HZ2 LYS 44 HZ2 LYS 44 3.135 7.024 14.688 384 HZ3 LYS 44 HZ3 LYS 44 4.780 7.324 14.429 385 H GLY 45 H GLY 45 5.929 -0.031 11.445 386 HA2 GLY 45 HA2 GLY 45 5.689 -2.185 12.570 387 HA3 GLY 45 HA3 GLY 45 4.421 -1.457 13.547 388 H VAL 46 H VAL 46 5.203 -2.033 10.115 389 HA VAL 46 HA VAL 46 2.356 -2.302 9.529 390 HB VAL 46 HB VAL 46 3.864 -0.959 8.038 391 HG11 VAL 46 HG11 VAL 46 5.457 -1.966 6.649 392 HG12 VAL 46 HG12 VAL 46 5.738 -2.691 8.233 393 HG13 VAL 46 HG13 VAL 46 4.862 -3.590 6.994 394 HG21 VAL 46 HG21 VAL 46 2.531 -3.305 6.690 395 HG22 VAL 46 HG22 VAL 46 1.684 -1.887 7.309 396 HG23 VAL 46 HG23 VAL 46 2.843 -1.716 5.990 397 H GLN 47 H GLN 47 1.519 -4.133 8.391 398 HA GLN 47 HA GLN 47 3.093 -6.593 8.772 399 HB2 GLN 47 HB2 GLN 47 1.404 -6.636 10.446 400 HB3 GLN 47 HB3 GLN 47 0.170 -6.094 9.316 401 HG2 GLN 47 HG2 GLN 47 -0.109 -8.440 9.805 402 HG3 GLN 47 HG3 GLN 47 0.339 -8.216 8.115 403 HE21 GLN 47 HE21 GLN 47 1.368 -9.355 11.233 404 HE22 GLN 47 HE22 GLN 47 2.752 -10.232 10.682 405 H LYS 48 H LYS 48 0.707 -4.873 6.855 406 HA LYS 48 HA LYS 48 1.234 -6.745 4.643 407 HB2 LYS 48 HB2 LYS 48 -1.344 -5.730 5.714 408 HB3 LYS 48 HB3 LYS 48 -1.202 -5.855 3.966 409 HG2 LYS 48 HG2 LYS 48 -1.791 -7.982 4.177 410 HG3 LYS 48 HG3 LYS 48 -0.208 -8.266 4.904 411 HD2 LYS 48 HD2 LYS 48 -1.272 -7.591 7.113 412 HD3 LYS 48 HD3 LYS 48 -2.825 -7.724 6.284 413 HE2 LYS 48 HE2 LYS 48 -2.313 -9.784 7.465 414 HE3 LYS 48 HE3 LYS 48 -2.314 -10.057 5.723 415 HZ1 LYS 48 HZ1 LYS 48 0.280 -9.358 6.466 416 HZ2 LYS 48 HZ2 LYS 48 -0.248 -10.531 7.565 417 HZ3 LYS 48 HZ3 LYS 48 -0.274 -10.856 5.905 418 H VAL 49 H VAL 49 0.775 -5.769 2.478 419 HA VAL 49 HA VAL 49 0.995 -2.864 2.370 420 HB VAL 49 HB VAL 49 3.052 -4.671 1.090 421 HG11 VAL 49 HG11 VAL 49 3.047 -3.006 -0.438 422 HG12 VAL 49 HG12 VAL 49 2.287 -1.854 0.661 423 HG13 VAL 49 HG13 VAL 49 4.017 -2.178 0.780 424 HG21 VAL 49 HG21 VAL 49 3.129 -2.837 3.461 425 HG22 VAL 49 HG22 VAL 49 3.668 -4.511 3.335 426 HG23 VAL 49 HG23 VAL 49 4.592 -3.226 2.556 427 H VAL 50 H VAL 50 -0.595 -2.315 1.037 428 HA VAL 50 HA VAL 50 -1.068 -3.976 -1.353 429 HB VAL 50 HB VAL 50 -3.061 -2.100 -0.085 430 HG11 VAL 50 HG11 VAL 50 -4.341 -2.564 -1.839 431 HG12 VAL 50 HG12 VAL 50 -2.992 -3.449 -2.553 432 HG13 VAL 50 HG13 VAL 50 -4.170 -4.296 -1.550 433 HG21 VAL 50 HG21 VAL 50 -2.494 -4.992 0.455 434 HG22 VAL 50 HG22 VAL 50 -2.791 -3.681 1.598 435 HG23 VAL 50 HG23 VAL 50 -4.122 -4.341 0.647 436 H VAL 51 H VAL 51 -1.163 -3.026 -3.342 437 HA VAL 51 HA VAL 51 -0.817 -0.110 -3.485 438 HB VAL 51 HB VAL 51 0.799 -0.415 -5.342 439 HG11 VAL 51 HG11 VAL 51 2.402 -1.769 -3.454 440 HG12 VAL 51 HG12 VAL 51 2.289 -0.033 -3.742 441 HG13 VAL 51 HG13 VAL 51 1.239 -0.799 -2.549 442 HG21 VAL 51 HG21 VAL 51 1.257 -3.232 -4.490 443 HG22 VAL 51 HG22 VAL 51 -0.055 -2.891 -5.618 444 HG23 VAL 51 HG23 VAL 51 1.601 -2.450 -6.033 445 H VAL 52 H VAL 52 -1.657 0.890 -5.322 446 HA VAL 52 HA VAL 52 -3.334 -0.827 -7.035 447 HB VAL 52 HB VAL 52 -4.021 2.017 -6.320 448 HG11 VAL 52 HG11 VAL 52 -6.350 0.891 -6.878 449 HG12 VAL 52 HG12 VAL 52 -5.301 1.529 -8.144 450 HG13 VAL 52 HG13 VAL 52 -5.321 -0.202 -7.805 451 HG21 VAL 52 HG21 VAL 52 -5.807 0.393 -4.968 452 HG22 VAL 52 HG22 VAL 52 -4.241 -0.368 -4.681 453 HG23 VAL 52 HG23 VAL 52 -4.491 1.324 -4.251 454 H GLY 53 H GLY 53 -3.158 -0.567 -9.189 455 HA2 GLY 53 HA2 GLY 53 -2.492 0.276 -11.223 456 HA3 GLY 53 HA3 GLY 53 -2.335 1.845 -10.445 457 H VAL 54 H VAL 54 -0.549 -0.510 -8.834 458 HA VAL 54 HA VAL 54 1.926 0.569 -9.958 459 HB VAL 54 HB VAL 54 1.453 -1.094 -7.480 460 HG11 VAL 54 HG11 VAL 54 3.613 -1.673 -8.021 461 HG12 VAL 54 HG12 VAL 54 3.943 -0.130 -8.809 462 HG13 VAL 54 HG13 VAL 54 3.884 -0.226 -7.049 463 HG21 VAL 54 HG21 VAL 54 0.642 1.012 -6.962 464 HG22 VAL 54 HG22 VAL 54 2.325 1.125 -6.449 465 HG23 VAL 54 HG23 VAL 54 1.822 1.831 -7.984 466 H SER 55 H SER 55 3.531 -0.690 -10.848 467 HA SER 55 HA SER 55 2.721 -3.043 -12.197 468 HB2 SER 55 HB2 SER 55 5.574 -2.145 -11.766 469 HB3 SER 55 HB3 SER 55 4.935 -3.107 -13.098 470 HG SER 55 HG SER 55 5.009 -1.119 -13.936 471 H GLU 56 H GLU 56 3.280 -5.187 -11.886 472 HA GLU 56 HA GLU 56 3.562 -6.029 -9.188 473 HB2 GLU 56 HB2 GLU 56 3.617 -8.304 -10.122 474 HB3 GLU 56 HB3 GLU 56 2.300 -7.354 -10.793 475 HG2 GLU 56 HG2 GLU 56 3.777 -6.890 -12.768 476 HG3 GLU 56 HG3 GLU 56 4.900 -8.079 -12.112 477 H LYS 57 H LYS 57 5.763 -5.838 -11.934 478 HA LYS 57 HA LYS 57 7.919 -7.257 -10.858 479 HB2 LYS 57 HB2 LYS 57 9.287 -6.147 -12.509 480 HB3 LYS 57 HB3 LYS 57 7.728 -6.532 -13.227 481 HG2 LYS 57 HG2 LYS 57 7.008 -4.211 -12.872 482 HG3 LYS 57 HG3 LYS 57 8.598 -3.836 -12.201 483 HD2 LYS 57 HD2 LYS 57 8.733 -5.150 -14.801 484 HD3 LYS 57 HD3 LYS 57 7.864 -3.615 -14.847 485 HE2 LYS 57 HE2 LYS 57 9.844 -2.662 -13.542 486 HE3 LYS 57 HE3 LYS 57 10.691 -4.146 -13.978 487 HZ1 LYS 57 HZ1 LYS 57 9.690 -3.331 -16.343 488 HZ2 LYS 57 HZ2 LYS 57 10.046 -1.853 -15.600 489 HZ3 LYS 57 HZ3 LYS 57 11.261 -3.014 -15.801 490 H VAL 58 H VAL 58 6.852 -3.957 -10.366 491 HA VAL 58 HA VAL 58 9.222 -3.073 -9.041 492 HB VAL 58 HB VAL 58 6.427 -1.929 -8.954 493 HG11 VAL 58 HG11 VAL 58 7.541 -1.042 -7.090 494 HG12 VAL 58 HG12 VAL 58 9.068 -0.901 -7.962 495 HG13 VAL 58 HG13 VAL 58 7.729 0.182 -8.346 496 HG21 VAL 58 HG21 VAL 58 7.645 -2.104 -11.200 497 HG22 VAL 58 HG22 VAL 58 7.028 -0.521 -10.727 498 HG23 VAL 58 HG23 VAL 58 8.745 -0.887 -10.552 499 H VAL 59 H VAL 59 5.951 -3.821 -7.825 500 HA VAL 59 HA VAL 59 6.606 -3.655 -5.099 501 HB VAL 59 HB VAL 59 4.535 -4.968 -4.706 502 HG11 VAL 59 HG11 VAL 59 3.455 -3.166 -6.670 503 HG12 VAL 59 HG12 VAL 59 3.440 -3.045 -4.910 504 HG13 VAL 59 HG13 VAL 59 4.811 -2.418 -5.826 505 HG21 VAL 59 HG21 VAL 59 3.141 -5.417 -6.793 506 HG22 VAL 59 HG22 VAL 59 4.649 -5.260 -7.696 507 HG23 VAL 59 HG23 VAL 59 4.481 -6.519 -6.472 508 H GLN 60 H GLN 60 6.686 -6.349 -7.373 509 HA GLN 60 HA GLN 60 7.067 -8.450 -5.590 510 HB2 GLN 60 HB2 GLN 60 6.641 -8.744 -7.999 511 HB3 GLN 60 HB3 GLN 60 8.252 -8.134 -8.353 512 HG2 GLN 60 HG2 GLN 60 9.237 -10.082 -7.866 513 HG3 GLN 60 HG3 GLN 60 8.193 -10.380 -6.478 514 HE21 GLN 60 HE21 GLN 60 9.107 -12.047 -8.813 515 HE22 GLN 60 HE22 GLN 60 7.650 -12.715 -9.457 516 H LYS 61 H LYS 61 9.523 -6.474 -7.245 517 HA LYS 61 HA LYS 61 11.787 -7.665 -6.159 518 HB2 LYS 61 HB2 LYS 61 11.163 -5.000 -7.321 519 HB3 LYS 61 HB3 LYS 61 12.663 -5.149 -6.414 520 HG2 LYS 61 HG2 LYS 61 13.505 -6.789 -7.883 521 HG3 LYS 61 HG3 LYS 61 11.929 -7.022 -8.643 522 HD2 LYS 61 HD2 LYS 61 12.095 -5.103 -9.887 523 HD3 LYS 61 HD3 LYS 61 13.156 -4.310 -8.721 524 HE2 LYS 61 HE2 LYS 61 14.454 -4.798 -10.659 525 HE3 LYS 61 HE3 LYS 61 14.953 -5.915 -9.390 526 HZ1 LYS 61 HZ1 LYS 61 13.326 -6.467 -11.792 527 HZ2 LYS 61 HZ2 LYS 61 14.735 -7.243 -11.265 528 HZ3 LYS 61 HZ3 LYS 61 13.274 -7.497 -10.450 529 H VAL 62 H VAL 62 10.385 -4.568 -5.067 530 HA VAL 62 HA VAL 62 11.835 -4.293 -2.736 531 HB VAL 62 HB VAL 62 8.969 -3.449 -3.194 532 HG11 VAL 62 HG11 VAL 62 9.530 -3.396 -0.836 533 HG12 VAL 62 HG12 VAL 62 11.002 -2.489 -1.183 534 HG13 VAL 62 HG13 VAL 62 9.426 -1.753 -1.470 535 HG21 VAL 62 HG21 VAL 62 10.247 -1.203 -3.570 536 HG22 VAL 62 HG22 VAL 62 11.609 -2.262 -3.933 537 HG23 VAL 62 HG23 VAL 62 10.125 -2.378 -4.878 538 H LYS 63 H LYS 63 8.777 -6.010 -3.235 539 HA LYS 63 HA LYS 63 8.136 -6.649 -0.627 540 HB2 LYS 63 HB2 LYS 63 6.596 -7.179 -2.372 541 HB3 LYS 63 HB3 LYS 63 7.765 -8.220 -3.176 542 HG2 LYS 63 HG2 LYS 63 7.107 -8.992 -0.421 543 HG3 LYS 63 HG3 LYS 63 5.774 -9.098 -1.574 544 HD2 LYS 63 HD2 LYS 63 7.392 -10.362 -3.082 545 HD3 LYS 63 HD3 LYS 63 8.441 -10.485 -1.669 546 HE2 LYS 63 HE2 LYS 63 7.219 -12.473 -1.639 547 HE3 LYS 63 HE3 LYS 63 6.387 -11.447 -0.472 548 HZ1 LYS 63 HZ1 LYS 63 4.535 -11.530 -1.666 549 HZ2 LYS 63 HZ2 LYS 63 5.336 -11.105 -3.096 550 HZ3 LYS 63 HZ3 LYS 63 5.260 -12.727 -2.618 551 H GLN 64 H GLN 64 10.329 -8.353 -2.830 552 HA GLN 64 HA GLN 64 10.929 -10.506 -1.128 553 HB2 GLN 64 HB2 GLN 64 12.147 -9.298 -3.546 554 HB3 GLN 64 HB3 GLN 64 13.192 -10.317 -2.566 555 HG2 GLN 64 HG2 GLN 64 10.507 -11.352 -3.289 556 HG3 GLN 64 HG3 GLN 64 11.747 -11.291 -4.541 557 HE21 GLN 64 HE21 GLN 64 10.465 -13.066 -2.021 558 HE22 GLN 64 HE22 GLN 64 11.741 -14.216 -1.831 559 H GLU 65 H GLU 65 12.537 -7.378 -1.591 560 HA GLU 65 HA GLU 65 14.513 -7.937 0.429 561 HB2 GLU 65 HB2 GLU 65 13.840 -5.342 -0.969 562 HB3 GLU 65 HB3 GLU 65 15.257 -5.630 0.031 563 HG2 GLU 65 HG2 GLU 65 16.217 -7.069 -1.538 564 HG3 GLU 65 HG3 GLU 65 14.695 -7.289 -2.399 565 H ALA 66 H ALA 66 11.325 -7.243 0.619 566 HA ALA 66 HA ALA 66 11.563 -5.529 2.989 567 HB1 ALA 66 HB1 ALA 66 9.919 -4.532 1.785 568 HB2 ALA 66 HB2 ALA 66 9.425 -6.035 1.006 569 HB3 ALA 66 HB3 ALA 66 8.922 -5.693 2.661 570 H ASN 67 H ASN 67 10.577 -8.712 1.935 571 HA ASN 67 HA ASN 67 10.122 -10.623 3.084 572 HB2 ASN 67 HB2 ASN 67 12.045 -9.469 4.564 573 HB3 ASN 67 HB3 ASN 67 10.733 -9.443 5.740 574 HD21 ASN 67 HD21 ASN 67 12.276 -11.635 3.418 575 HD22 ASN 67 HD22 ASN 67 12.189 -13.035 4.424 576 H VAL 68 H VAL 68 7.980 -9.082 2.497 577 HA VAL 68 HA VAL 68 6.197 -9.667 4.734 578 HB VAL 68 HB VAL 68 5.060 -7.529 4.609 579 HG11 VAL 68 HG11 VAL 68 7.019 -7.837 6.132 580 HG12 VAL 68 HG12 VAL 68 8.015 -7.028 4.922 581 HG13 VAL 68 HG13 VAL 68 6.690 -6.160 5.696 582 HG21 VAL 68 HG21 VAL 68 6.784 -5.837 3.234 583 HG22 VAL 68 HG22 VAL 68 6.627 -7.252 2.193 584 HG23 VAL 68 HG23 VAL 68 5.187 -6.372 2.709 585 H GLN 69 H GLN 69 3.838 -9.244 3.999 586 HA GLN 69 HA GLN 69 3.527 -10.580 1.428 587 HB2 GLN 69 HB2 GLN 69 2.040 -10.475 3.920 588 HB3 GLN 69 HB3 GLN 69 0.996 -10.203 2.531 589 HG2 GLN 69 HG2 GLN 69 0.970 -12.522 2.969 590 HG3 GLN 69 HG3 GLN 69 1.952 -12.287 1.524 591 HE21 GLN 69 HE21 GLN 69 2.149 -12.718 5.021 592 HE22 GLN 69 HE22 GLN 69 3.674 -13.531 5.015 593 H VAL 70 H VAL 70 3.087 -9.492 -0.361 594 HA VAL 70 HA VAL 70 1.914 -6.801 -0.122 595 HB VAL 70 HB VAL 70 3.592 -7.970 -2.347 596 HG11 VAL 70 HG11 VAL 70 1.917 -5.543 -2.173 597 HG12 VAL 70 HG12 VAL 70 3.518 -5.343 -2.883 598 HG13 VAL 70 HG13 VAL 70 2.385 -6.503 -3.576 599 HG21 VAL 70 HG21 VAL 70 5.125 -6.062 -1.623 600 HG22 VAL 70 HG22 VAL 70 4.155 -5.997 -0.153 601 HG23 VAL 70 HG23 VAL 70 5.035 -7.469 -0.564 602 H TYR 71 H TYR 71 0.193 -6.199 -1.421 603 HA TYR 71 HA TYR 71 -1.052 -8.319 -3.035 604 HB2 TYR 71 HB2 TYR 71 -2.257 -6.719 -0.809 605 HB3 TYR 71 HB3 TYR 71 -3.275 -7.232 -2.149 606 HD1 TYR 71 HD1 TYR 71 -0.717 -8.700 0.154 607 HD2 TYR 71 HD2 TYR 71 -4.410 -9.220 -1.894 608 HE1 TYR 71 HE1 TYR 71 -0.986 -10.904 1.212 609 HE2 TYR 71 HE2 TYR 71 -4.690 -11.425 -0.841 610 HH TYR 71 HH TYR 71 -2.145 -12.927 0.982 611 H ARG 72 H ARG 72 -2.078 -7.661 -4.885 612 HA ARG 72 HA ARG 72 -1.649 -4.857 -5.637 613 HB2 ARG 72 HB2 ARG 72 -2.028 -5.734 -7.979 614 HB3 ARG 72 HB3 ARG 72 -0.585 -6.325 -7.168 615 HG2 ARG 72 HG2 ARG 72 -1.257 -8.437 -7.312 616 HG3 ARG 72 HG3 ARG 72 -2.868 -8.046 -6.708 617 HD2 ARG 72 HD2 ARG 72 -2.406 -7.079 -9.414 618 HD3 ARG 72 HD3 ARG 72 -2.234 -8.828 -9.274 619 HE ARG 72 HE ARG 72 -4.656 -7.327 -9.127 620 HH11 ARG 72 HH11 ARG 72 -3.060 -10.202 -7.985 621 HH12 ARG 72 HH12 ARG 72 -4.535 -11.066 -7.704 622 HH21 ARG 72 HH21 ARG 72 -6.605 -8.454 -8.762 623 HH22 ARG 72 HH22 ARG 72 -6.551 -10.072 -8.147 624 H VAL 73 H VAL 73 -3.288 -3.591 -6.471 625 HA VAL 73 HA VAL 73 -6.006 -4.587 -5.962 626 HB VAL 73 HB VAL 73 -4.953 -1.761 -6.114 627 HG11 VAL 73 HG11 VAL 73 -7.771 -2.748 -5.695 628 HG12 VAL 73 HG12 VAL 73 -7.239 -1.081 -5.469 629 HG13 VAL 73 HG13 VAL 73 -7.170 -1.819 -7.069 630 HG21 VAL 73 HG21 VAL 73 -5.480 -3.661 -3.942 631 HG22 VAL 73 HG22 VAL 73 -4.433 -2.243 -3.982 632 HG23 VAL 73 HG23 VAL 73 -6.163 -2.053 -3.694 633 H THR 74 H THR 74 -7.532 -4.614 -7.529 634 HA THR 74 HA THR 74 -6.695 -3.742 -10.218 635 HB THR 74 HB THR 74 -6.966 -6.187 -10.022 636 HG1 THR 74 HG1 THR 74 -7.556 -4.972 -11.981 637 HG21 THR 74 HG21 THR 74 -9.214 -5.506 -8.482 638 HG22 THR 74 HG22 THR 74 -9.839 -6.278 -9.939 639 HG23 THR 74 HG23 THR 74 -8.668 -7.123 -8.926 640 H SER 75 H SER 75 -9.084 -3.497 -7.746 641 HA SER 75 HA SER 75 -10.414 -1.374 -9.167 642 HB2 SER 75 HB2 SER 75 -11.619 -4.066 -8.936 643 HB3 SER 75 HB3 SER 75 -12.675 -2.719 -8.513 644 HG SER 75 HG SER 75 -11.169 -2.799 -10.910 645 H ASN 76 H ASN 76 -12.324 -0.549 -7.781 646 HA ASN 76 HA ASN 76 -11.339 0.192 -5.274 647 HB2 ASN 76 HB2 ASN 76 -13.329 1.385 -4.984 648 HB3 ASN 76 HB3 ASN 76 -13.181 1.288 -6.736 649 HD21 ASN 76 HD21 ASN 76 -15.166 0.755 -4.107 650 HD22 ASN 76 HD22 ASN 76 -16.387 -0.188 -4.885 651 H ASP 77 H ASP 77 -13.434 -2.447 -6.240 652 HA ASP 77 HA ASP 77 -14.349 -3.183 -3.677 653 HB2 ASP 77 HB2 ASP 77 -14.176 -4.528 -6.335 654 HB3 ASP 77 HB3 ASP 77 -14.489 -5.524 -4.916 655 H GLU 78 H GLU 78 -11.356 -3.720 -5.343 656 HA GLU 78 HA GLU 78 -10.472 -5.906 -3.724 657 HB2 GLU 78 HB2 GLU 78 -9.402 -4.283 -5.915 658 HB3 GLU 78 HB3 GLU 78 -8.185 -4.758 -4.739 659 HG2 GLU 78 HG2 GLU 78 -8.562 -6.287 -6.736 660 HG3 GLU 78 HG3 GLU 78 -8.507 -7.029 -5.138 661 H VAL 79 H VAL 79 -10.247 -2.420 -3.558 662 HA VAL 79 HA VAL 79 -8.227 -2.311 -1.553 663 HB VAL 79 HB VAL 79 -10.312 -0.257 -2.301 664 HG11 VAL 79 HG11 VAL 79 -7.853 -0.074 -0.574 665 HG12 VAL 79 HG12 VAL 79 -8.675 1.335 -1.247 666 HG13 VAL 79 HG13 VAL 79 -9.523 0.272 -0.123 667 HG21 VAL 79 HG21 VAL 79 -8.679 0.721 -3.714 668 HG22 VAL 79 HG22 VAL 79 -7.409 -0.331 -3.090 669 HG23 VAL 79 HG23 VAL 79 -8.696 -1.002 -4.092 670 H GLU 80 H GLU 80 -11.773 -2.079 -1.458 671 HA GLU 80 HA GLU 80 -11.928 -1.764 1.359 672 HB2 GLU 80 HB2 GLU 80 -13.764 -1.954 -0.866 673 HB3 GLU 80 HB3 GLU 80 -14.337 -2.907 0.495 674 HG2 GLU 80 HG2 GLU 80 -13.451 -0.440 1.531 675 HG3 GLU 80 HG3 GLU 80 -14.432 -0.089 0.110 676 H GLN 81 H GLN 81 -11.808 -4.526 -0.772 677 HA GLN 81 HA GLN 81 -12.714 -6.474 1.069 678 HB2 GLN 81 HB2 GLN 81 -11.265 -6.497 -1.527 679 HB3 GLN 81 HB3 GLN 81 -11.164 -7.946 -0.536 680 HG2 GLN 81 HG2 GLN 81 -13.512 -8.252 -0.587 681 HG3 GLN 81 HG3 GLN 81 -13.770 -6.656 -1.289 682 HE21 GLN 81 HE21 GLN 81 -14.907 -7.536 -3.023 683 HE22 GLN 81 HE22 GLN 81 -14.112 -8.376 -4.306 684 H VAL 82 H VAL 82 -9.416 -5.584 0.045 685 HA VAL 82 HA VAL 82 -8.056 -7.278 1.814 686 HB VAL 82 HB VAL 82 -6.114 -5.750 1.497 687 HG11 VAL 82 HG11 VAL 82 -6.287 -7.457 -0.096 688 HG12 VAL 82 HG12 VAL 82 -7.689 -6.717 -0.868 689 HG13 VAL 82 HG13 VAL 82 -6.094 -5.988 -1.052 690 HG21 VAL 82 HG21 VAL 82 -8.159 -4.104 0.017 691 HG22 VAL 82 HG22 VAL 82 -7.173 -3.616 1.395 692 HG23 VAL 82 HG23 VAL 82 -6.417 -3.901 -0.173 693 H VAL 83 H VAL 83 -9.186 -3.950 2.193 694 HA VAL 83 HA VAL 83 -7.992 -3.541 4.745 695 HB VAL 83 HB VAL 83 -10.312 -2.106 3.447 696 HG11 VAL 83 HG11 VAL 83 -9.151 -0.328 5.157 697 HG12 VAL 83 HG12 VAL 83 -10.606 -1.264 5.504 698 HG13 VAL 83 HG13 VAL 83 -9.034 -1.835 6.067 699 HG21 VAL 83 HG21 VAL 83 -7.662 -2.160 2.682 700 HG22 VAL 83 HG22 VAL 83 -8.838 -0.914 2.267 701 HG23 VAL 83 HG23 VAL 83 -7.778 -0.698 3.661 702 H LYS 84 H LYS 84 -11.263 -4.427 3.689 703 HA LYS 84 HA LYS 84 -12.609 -4.416 6.079 704 HB2 LYS 84 HB2 LYS 84 -12.839 -5.993 3.575 705 HB3 LYS 84 HB3 LYS 84 -13.704 -6.609 4.977 706 HG2 LYS 84 HG2 LYS 84 -14.097 -3.758 4.595 707 HG3 LYS 84 HG3 LYS 84 -14.612 -4.713 3.203 708 HD2 LYS 84 HD2 LYS 84 -16.505 -4.575 4.595 709 HD3 LYS 84 HD3 LYS 84 -15.845 -6.189 4.869 710 HE2 LYS 84 HE2 LYS 84 -14.868 -5.524 6.935 711 HE3 LYS 84 HE3 LYS 84 -15.201 -3.822 6.616 712 HZ1 LYS 84 HZ1 LYS 84 -16.737 -5.093 8.200 713 HZ2 LYS 84 HZ2 LYS 84 -17.449 -4.102 7.028 714 HZ3 LYS 84 HZ3 LYS 84 -17.401 -5.778 6.803 715 H ASP 85 H ASP 85 -11.223 -7.398 4.697 716 HA ASP 85 HA ASP 85 -11.327 -8.794 7.164 717 HB2 ASP 85 HB2 ASP 85 -9.761 -9.396 4.646 718 HB3 ASP 85 HB3 ASP 85 -9.981 -10.514 5.990 719 H VAL 86 H VAL 86 -8.951 -6.761 5.653 720 HA VAL 86 HA VAL 86 -7.031 -5.833 6.471 721 HB VAL 86 HB VAL 86 -7.507 -7.347 9.036 722 HG11 VAL 86 HG11 VAL 86 -6.062 -4.753 8.507 723 HG12 VAL 86 HG12 VAL 86 -6.179 -5.603 10.048 724 HG13 VAL 86 HG13 VAL 86 -5.280 -6.321 8.711 725 HG21 VAL 86 HG21 VAL 86 -8.733 -5.424 9.850 726 HG22 VAL 86 HG22 VAL 86 -8.522 -4.602 8.305 727 HG23 VAL 86 HG23 VAL 86 -9.513 -6.057 8.402 728 H LYS 87 H LYS 87 -7.081 -8.983 8.137 729 HA LYS 87 HA LYS 87 -4.383 -9.545 7.357 730 HB2 LYS 87 HB2 LYS 87 -5.832 -10.335 9.450 731 HB3 LYS 87 HB3 LYS 87 -6.163 -11.698 8.390 732 HG2 LYS 87 HG2 LYS 87 -3.346 -10.816 8.829 733 HG3 LYS 87 HG3 LYS 87 -4.168 -11.792 10.050 734 HD2 LYS 87 HD2 LYS 87 -4.786 -13.198 7.843 735 HD3 LYS 87 HD3 LYS 87 -3.235 -12.520 7.342 736 HE2 LYS 87 HE2 LYS 87 -2.102 -13.889 8.691 737 HE3 LYS 87 HE3 LYS 87 -3.157 -13.534 10.058 738 HZ1 LYS 87 HZ1 LYS 87 -3.356 -15.830 9.590 739 HZ2 LYS 87 HZ2 LYS 87 -4.782 -15.108 9.033 740 HZ3 LYS 87 HZ3 LYS 87 -3.577 -15.560 7.934 741 H GLY 88 H GLY 88 -4.236 -9.684 5.142 742 HA2 GLY 88 HA2 GLY 88 -4.324 -10.691 3.081 743 HA3 GLY 88 HA3 GLY 88 -4.754 -12.163 3.940 744 H SER 89 H SER 89 -6.607 -13.026 3.320 745 HA SER 89 HA SER 89 -9.034 -11.599 3.149 746 HB2 SER 89 HB2 SER 89 -7.455 -11.380 0.829 747 HB3 SER 89 HB3 SER 89 -8.715 -12.551 0.441 748 HG SER 89 HG SER 89 -10.087 -10.793 1.567 749 H GLY 90 H GLY 90 -10.845 -12.963 2.567 750 HA2 GLY 90 HA2 GLY 90 -10.177 -15.839 2.523 751 HA3 GLY 90 HA3 GLY 90 -11.375 -15.204 3.641 752 H LEU 91 H LEU 91 -10.891 -14.274 0.266 753 HA LEU 91 HA LEU 91 -13.331 -15.683 -0.500 754 HB2 LEU 91 HB2 LEU 91 -13.806 -13.285 0.279 755 HB3 LEU 91 HB3 LEU 91 -12.995 -12.785 -1.204 756 HG LEU 91 HG LEU 91 -14.886 -14.625 -2.059 757 HD11 LEU 91 HD11 LEU 91 -16.974 -13.949 -1.081 758 HD12 LEU 91 HD12 LEU 91 -15.902 -14.521 0.198 759 HD13 LEU 91 HD13 LEU 91 -16.155 -12.790 -0.032 760 HD21 LEU 91 HD21 LEU 91 -14.990 -11.612 -1.958 761 HD22 LEU 91 HD22 LEU 91 -14.269 -12.602 -3.227 762 HD23 LEU 91 HD23 LEU 91 -16.013 -12.628 -2.973 763 H GLU 92 H GLU 92 -11.533 -16.905 -1.536 764 HA GLU 92 HA GLU 92 -10.181 -15.646 -3.753 765 HB2 GLU 92 HB2 GLU 92 -10.238 -18.431 -2.628 766 HB3 GLU 92 HB3 GLU 92 -9.498 -18.108 -4.189 767 HG2 GLU 92 HG2 GLU 92 -8.032 -16.436 -3.088 768 HG3 GLU 92 HG3 GLU 92 -8.709 -16.932 -1.537 769 H HIS 93 H HIS 93 -12.644 -18.187 -3.379 770 HA HIS 93 HA HIS 93 -14.209 -19.020 -4.807 771 HB2 HIS 93 HB2 HIS 93 -14.045 -16.138 -5.425 772 HB3 HIS 93 HB3 HIS 93 -14.798 -17.130 -6.669 773 HD1 HIS 93 HD1 HIS 93 -17.161 -16.273 -6.279 774 HD2 HIS 93 HD2 HIS 93 -15.400 -17.856 -2.865 775 HE1 HIS 93 HE1 HIS 93 -19.016 -16.464 -4.592 776 H HIS 94 H HIS 94 -12.506 -20.480 -5.576 777 HA HIS 94 HA HIS 94 -12.361 -20.453 -8.432 778 HB2 HIS 94 HB2 HIS 94 -10.467 -18.926 -7.726 779 HB3 HIS 94 HB3 HIS 94 -9.719 -20.332 -6.975 780 HD1 HIS 94 HD1 HIS 94 -11.302 -19.862 -10.410 781 HD2 HIS 94 HD2 HIS 94 -7.759 -21.128 -8.647 782 HE1 HIS 94 HE1 HIS 94 -9.836 -20.613 -12.310 783 H HIS 95 H HIS 95 -12.870 -22.491 -8.855 784 HA HIS 95 HA HIS 95 -11.253 -24.673 -8.199 785 HB2 HIS 95 HB2 HIS 95 -12.689 -23.970 -5.992 786 HB3 HIS 95 HB3 HIS 95 -13.770 -25.144 -6.736 787 HD1 HIS 95 HD1 HIS 95 -13.053 -27.597 -6.708 788 HD2 HIS 95 HD2 HIS 95 -10.230 -25.021 -5.076 789 HE1 HIS 95 HE1 HIS 95 -11.371 -29.078 -5.566 790 H HIS 96 H HIS 96 -11.665 -26.267 -9.606 791 HA HIS 96 HA HIS 96 -14.216 -26.154 -11.072 792 HB2 HIS 96 HB2 HIS 96 -11.675 -26.014 -12.080 793 HB3 HIS 96 HB3 HIS 96 -12.028 -27.731 -12.249 794 HD1 HIS 96 HD1 HIS 96 -14.211 -24.668 -12.856 795 HD2 HIS 96 HD2 HIS 96 -12.829 -28.065 -14.806 796 HE1 HIS 96 HE1 HIS 96 -15.305 -24.635 -15.120 797 H HIS 97 H HIS 97 -14.852 -28.339 -12.032 798 HA HIS 97 HA HIS 97 -14.238 -30.551 -10.206 799 HB2 HIS 97 HB2 HIS 97 -16.988 -29.526 -10.912 800 HB3 HIS 97 HB3 HIS 97 -16.712 -31.142 -10.268 801 HD1 HIS 97 HD1 HIS 97 -16.210 -31.351 -7.776 802 HD2 HIS 97 HD2 HIS 97 -16.554 -27.418 -9.070 803 HE1 HIS 97 HE1 HIS 97 -16.311 -29.960 -5.683 804 H HIS 98 H HIS 98 -12.928 -31.013 -12.191 805 HA HIS 98 HA HIS 98 -14.573 -32.443 -14.175 806 HB2 HIS 98 HB2 HIS 98 -13.203 -30.330 -14.894 807 HB3 HIS 98 HB3 HIS 98 -11.828 -31.429 -14.832 808 HD1 HIS 98 HD1 HIS 98 -12.195 -30.452 -17.518 809 HD2 HIS 98 HD2 HIS 98 -14.502 -33.606 -16.110 810 HE1 HIS 98 HE1 HIS 98 -13.024 -31.646 -19.569 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -4.196 -8.262 13.309 2 HA2 GLY 1 HA2 GLY 1 -2.155 -8.111 11.582 3 HA3 GLY 1 HA3 GLY 1 -3.819 -8.132 11.019 4 H ARG 2 H ARG 2 -1.011 -6.579 10.622 5 HA ARG 2 HA ARG 2 -2.145 -3.892 10.402 6 HB2 ARG 2 HB2 ARG 2 0.570 -5.017 10.657 7 HB3 ARG 2 HB3 ARG 2 0.435 -3.636 9.578 8 HG2 ARG 2 HG2 ARG 2 -0.934 -3.301 12.144 9 HG3 ARG 2 HG3 ARG 2 0.818 -3.486 12.259 10 HD2 ARG 2 HD2 ARG 2 0.881 -1.725 10.363 11 HD3 ARG 2 HD3 ARG 2 -0.776 -1.376 10.853 12 HE ARG 2 HE ARG 2 1.622 -0.666 12.247 13 HH11 ARG 2 HH11 ARG 2 -1.759 -1.409 12.619 14 HH12 ARG 2 HH12 ARG 2 -1.925 -0.519 14.097 15 HH21 ARG 2 HH21 ARG 2 1.415 0.510 14.192 16 HH22 ARG 2 HH22 ARG 2 -0.120 0.573 14.989 17 H VAL 3 H VAL 3 -2.081 -2.702 8.461 18 HA VAL 3 HA VAL 3 -1.284 -3.984 6.000 19 HB VAL 3 HB VAL 3 -3.508 -4.958 6.319 20 HG11 VAL 3 HG11 VAL 3 -4.635 -2.174 6.151 21 HG12 VAL 3 HG12 VAL 3 -5.485 -3.677 6.511 22 HG13 VAL 3 HG13 VAL 3 -4.354 -3.001 7.683 23 HG21 VAL 3 HG21 VAL 3 -4.159 -4.702 4.142 24 HG22 VAL 3 HG22 VAL 3 -3.945 -2.952 4.167 25 HG23 VAL 3 HG23 VAL 3 -2.539 -4.011 4.051 26 H VAL 4 H VAL 4 -1.159 -2.553 4.244 27 HA VAL 4 HA VAL 4 -1.784 0.263 4.810 28 HB VAL 4 HB VAL 4 0.826 -0.722 3.648 29 HG11 VAL 4 HG11 VAL 4 1.287 1.852 4.098 30 HG12 VAL 4 HG12 VAL 4 0.606 1.276 2.576 31 HG13 VAL 4 HG13 VAL 4 -0.452 1.951 3.815 32 HG21 VAL 4 HG21 VAL 4 0.404 0.777 6.222 33 HG22 VAL 4 HG22 VAL 4 0.487 -0.982 6.139 34 HG23 VAL 4 HG23 VAL 4 1.874 -0.010 5.648 35 H VAL 5 H VAL 5 -2.567 1.405 3.114 36 HA VAL 5 HA VAL 5 -2.918 -0.060 0.591 37 HB VAL 5 HB VAL 5 -4.429 2.391 1.494 38 HG11 VAL 5 HG11 VAL 5 -4.458 0.673 -0.885 39 HG12 VAL 5 HG12 VAL 5 -6.046 1.014 -0.199 40 HG13 VAL 5 HG13 VAL 5 -4.990 2.342 -0.682 41 HG21 VAL 5 HG21 VAL 5 -5.053 -0.528 1.882 42 HG22 VAL 5 HG22 VAL 5 -4.929 0.732 3.110 43 HG23 VAL 5 HG23 VAL 5 -6.276 0.740 1.974 44 H VAL 6 H VAL 6 -2.088 0.678 -1.275 45 HA VAL 6 HA VAL 6 -0.925 3.382 -1.311 46 HB VAL 6 HB VAL 6 0.346 0.897 -2.466 47 HG11 VAL 6 HG11 VAL 6 1.012 3.808 -2.671 48 HG12 VAL 6 HG12 VAL 6 2.276 2.585 -2.784 49 HG13 VAL 6 HG13 VAL 6 0.946 2.588 -3.941 50 HG21 VAL 6 HG21 VAL 6 0.476 2.042 0.135 51 HG22 VAL 6 HG22 VAL 6 1.355 0.651 -0.502 52 HG23 VAL 6 HG23 VAL 6 2.038 2.271 -0.655 53 H VAL 7 H VAL 7 -1.014 4.484 -3.258 54 HA VAL 7 HA VAL 7 -2.424 3.156 -5.472 55 HB VAL 7 HB VAL 7 -3.756 5.162 -5.875 56 HG11 VAL 7 HG11 VAL 7 -4.927 3.588 -4.617 57 HG12 VAL 7 HG12 VAL 7 -3.941 3.862 -3.180 58 HG13 VAL 7 HG13 VAL 7 -5.112 5.077 -3.690 59 HG21 VAL 7 HG21 VAL 7 -3.789 7.023 -4.360 60 HG22 VAL 7 HG22 VAL 7 -2.646 6.225 -3.281 61 HG23 VAL 7 HG23 VAL 7 -2.124 6.757 -4.878 62 H THR 8 H THR 8 -2.324 4.549 -7.504 63 HA THR 8 HA THR 8 0.441 5.463 -7.815 64 HB THR 8 HB THR 8 -0.516 5.480 -10.343 65 HG1 THR 8 HG1 THR 8 -1.858 3.296 -9.105 66 HG21 THR 8 HG21 THR 8 0.776 3.593 -10.687 67 HG22 THR 8 HG22 THR 8 1.412 4.175 -9.148 68 HG23 THR 8 HG23 THR 8 0.262 2.839 -9.178 69 H SER 9 H SER 9 -2.780 6.637 -7.700 70 HA SER 9 HA SER 9 -1.861 9.269 -8.657 71 HB2 SER 9 HB2 SER 9 -4.330 7.738 -9.233 72 HB3 SER 9 HB3 SER 9 -4.546 9.463 -8.932 73 HG SER 9 HG SER 9 -3.780 9.818 -10.844 74 H GLU 10 H GLU 10 -2.474 11.085 -7.494 75 HA GLU 10 HA GLU 10 -2.756 10.770 -4.713 76 HB2 GLU 10 HB2 GLU 10 -2.899 13.165 -4.602 77 HB3 GLU 10 HB3 GLU 10 -1.728 12.742 -5.843 78 HG2 GLU 10 HG2 GLU 10 -3.976 12.930 -7.327 79 HG3 GLU 10 HG3 GLU 10 -4.311 14.117 -6.068 80 H GLN 11 H GLN 11 -5.084 11.268 -7.277 81 HA GLN 11 HA GLN 11 -7.299 12.078 -5.802 82 HB2 GLN 11 HB2 GLN 11 -6.854 10.767 -8.410 83 HB3 GLN 11 HB3 GLN 11 -8.452 10.539 -7.714 84 HG2 GLN 11 HG2 GLN 11 -9.014 12.733 -7.921 85 HG3 GLN 11 HG3 GLN 11 -7.348 13.289 -7.770 86 HE21 GLN 11 HE21 GLN 11 -9.878 12.551 -9.883 87 HE22 GLN 11 HE22 GLN 11 -9.018 12.728 -11.370 88 H VAL 12 H VAL 12 -6.292 8.772 -6.657 89 HA VAL 12 HA VAL 12 -8.365 7.441 -5.310 90 HB VAL 12 HB VAL 12 -5.577 6.359 -5.708 91 HG11 VAL 12 HG11 VAL 12 -7.250 5.097 -4.295 92 HG12 VAL 12 HG12 VAL 12 -8.205 4.895 -5.764 93 HG13 VAL 12 HG13 VAL 12 -6.581 4.215 -5.668 94 HG21 VAL 12 HG21 VAL 12 -6.869 5.412 -7.838 95 HG22 VAL 12 HG22 VAL 12 -7.729 6.941 -7.662 96 HG23 VAL 12 HG23 VAL 12 -5.978 6.934 -7.871 97 H LYS 13 H LYS 13 -5.206 8.564 -4.226 98 HA LYS 13 HA LYS 13 -5.109 7.269 -1.750 99 HB2 LYS 13 HB2 LYS 13 -3.170 8.398 -2.686 100 HB3 LYS 13 HB3 LYS 13 -3.983 9.952 -2.569 101 HG2 LYS 13 HG2 LYS 13 -4.013 8.786 0.007 102 HG3 LYS 13 HG3 LYS 13 -2.377 8.630 -0.636 103 HD2 LYS 13 HD2 LYS 13 -2.098 10.922 -0.834 104 HD3 LYS 13 HD3 LYS 13 -3.835 11.232 -0.863 105 HE2 LYS 13 HE2 LYS 13 -3.767 11.653 1.316 106 HE3 LYS 13 HE3 LYS 13 -3.264 9.989 1.602 107 HZ1 LYS 13 HZ1 LYS 13 -1.636 11.355 2.577 108 HZ2 LYS 13 HZ2 LYS 13 -0.941 10.786 1.143 109 HZ3 LYS 13 HZ3 LYS 13 -1.539 12.366 1.224 110 H GLU 14 H GLU 14 -6.353 10.501 -2.574 111 HA GLU 14 HA GLU 14 -7.142 11.276 -0.020 112 HB2 GLU 14 HB2 GLU 14 -7.719 12.108 -2.767 113 HB3 GLU 14 HB3 GLU 14 -9.044 12.415 -1.653 114 HG2 GLU 14 HG2 GLU 14 -7.470 13.617 -0.176 115 HG3 GLU 14 HG3 GLU 14 -6.208 13.384 -1.384 116 H GLU 15 H GLU 15 -8.941 9.492 -2.500 117 HA GLU 15 HA GLU 15 -11.375 9.327 -1.095 118 HB2 GLU 15 HB2 GLU 15 -10.286 7.345 -3.100 119 HB3 GLU 15 HB3 GLU 15 -11.972 7.571 -2.657 120 HG2 GLU 15 HG2 GLU 15 -10.793 10.043 -3.558 121 HG3 GLU 15 HG3 GLU 15 -10.611 8.767 -4.760 122 H VAL 16 H VAL 16 -8.500 7.294 -1.097 123 HA VAL 16 HA VAL 16 -9.619 5.191 0.458 124 HB VAL 16 HB VAL 16 -6.723 5.955 0.058 125 HG11 VAL 16 HG11 VAL 16 -6.306 3.571 0.697 126 HG12 VAL 16 HG12 VAL 16 -6.885 4.594 2.012 127 HG13 VAL 16 HG13 VAL 16 -7.990 3.477 1.210 128 HG21 VAL 16 HG21 VAL 16 -7.654 3.561 -1.278 129 HG22 VAL 16 HG22 VAL 16 -8.558 4.988 -1.787 130 HG23 VAL 16 HG23 VAL 16 -6.801 4.958 -1.935 131 H ARG 17 H ARG 17 -7.441 7.890 1.269 132 HA ARG 17 HA ARG 17 -7.183 7.370 3.990 133 HB2 ARG 17 HB2 ARG 17 -5.785 8.998 2.838 134 HB3 ARG 17 HB3 ARG 17 -7.181 10.029 2.552 135 HG2 ARG 17 HG2 ARG 17 -7.343 10.635 4.803 136 HG3 ARG 17 HG3 ARG 17 -6.322 9.294 5.327 137 HD2 ARG 17 HD2 ARG 17 -4.375 10.317 4.412 138 HD3 ARG 17 HD3 ARG 17 -5.336 11.545 3.588 139 HE ARG 17 HE ARG 17 -5.343 12.757 5.519 140 HH11 ARG 17 HH11 ARG 17 -4.573 9.449 6.283 141 HH12 ARG 17 HH12 ARG 17 -4.244 9.774 7.953 142 HH21 ARG 17 HH21 ARG 17 -4.912 13.198 7.715 143 HH22 ARG 17 HH22 ARG 17 -4.438 11.906 8.767 144 H LYS 18 H LYS 18 -9.768 8.903 2.208 145 HA LYS 18 HA LYS 18 -11.097 9.991 4.495 146 HB2 LYS 18 HB2 LYS 18 -11.305 10.668 1.994 147 HB3 LYS 18 HB3 LYS 18 -12.467 9.351 1.899 148 HG2 LYS 18 HG2 LYS 18 -13.798 10.412 3.665 149 HG3 LYS 18 HG3 LYS 18 -12.642 11.744 3.719 150 HD2 LYS 18 HD2 LYS 18 -13.129 12.006 1.212 151 HD3 LYS 18 HD3 LYS 18 -14.535 10.983 1.516 152 HE2 LYS 18 HE2 LYS 18 -14.054 13.355 3.259 153 HE3 LYS 18 HE3 LYS 18 -14.716 13.599 1.644 154 HZ1 LYS 18 HZ1 LYS 18 -16.063 11.491 2.988 155 HZ2 LYS 18 HZ2 LYS 18 -16.109 12.909 3.912 156 HZ3 LYS 18 HZ3 LYS 18 -16.696 12.913 2.325 157 H LYS 19 H LYS 19 -11.388 7.028 2.601 158 HA LYS 19 HA LYS 19 -13.734 6.067 3.865 159 HB2 LYS 19 HB2 LYS 19 -11.534 4.688 2.329 160 HB3 LYS 19 HB3 LYS 19 -12.931 3.826 2.962 161 HG2 LYS 19 HG2 LYS 19 -13.302 6.218 1.209 162 HG3 LYS 19 HG3 LYS 19 -12.944 4.637 0.511 163 HD2 LYS 19 HD2 LYS 19 -14.929 3.703 1.314 164 HD3 LYS 19 HD3 LYS 19 -15.162 4.990 2.500 165 HE2 LYS 19 HE2 LYS 19 -15.163 5.607 -0.429 166 HE3 LYS 19 HE3 LYS 19 -16.608 4.954 0.342 167 HZ1 LYS 19 HZ1 LYS 19 -15.244 7.520 0.877 168 HZ2 LYS 19 HZ2 LYS 19 -16.861 7.252 0.459 169 HZ3 LYS 19 HZ3 LYS 19 -16.307 6.837 2.003 170 H PHE 20 H PHE 20 -10.284 5.559 4.475 171 HA PHE 20 HA PHE 20 -10.969 4.619 7.164 172 HB2 PHE 20 HB2 PHE 20 -8.919 3.267 5.398 173 HB3 PHE 20 HB3 PHE 20 -9.345 2.811 7.044 174 HD1 PHE 20 HD1 PHE 20 -9.817 2.016 3.707 175 HD2 PHE 20 HD2 PHE 20 -11.974 2.391 7.357 176 HE1 PHE 20 HE1 PHE 20 -11.549 0.503 2.835 177 HE2 PHE 20 HE2 PHE 20 -13.710 0.878 6.491 178 HZ PHE 20 HZ PHE 20 -13.500 -0.067 4.227 179 HA PRO 21 HA PRO 21 -7.736 7.922 7.231 180 HB2 PRO 21 HB2 PRO 21 -8.815 9.241 9.345 181 HB3 PRO 21 HB3 PRO 21 -9.324 9.522 7.676 182 HG2 PRO 21 HG2 PRO 21 -10.613 7.842 9.792 183 HG3 PRO 21 HG3 PRO 21 -11.365 8.953 8.632 184 HD2 PRO 21 HD2 PRO 21 -11.340 6.270 8.273 185 HD3 PRO 21 HD3 PRO 21 -11.288 7.415 6.917 186 H GLN 22 H GLN 22 -9.149 5.879 9.714 187 HA GLN 22 HA GLN 22 -7.136 6.310 11.675 188 HB2 GLN 22 HB2 GLN 22 -9.356 4.361 11.285 189 HB3 GLN 22 HB3 GLN 22 -8.088 3.947 12.430 190 HG2 GLN 22 HG2 GLN 22 -8.501 6.155 13.541 191 HG3 GLN 22 HG3 GLN 22 -9.910 6.335 12.496 192 HE21 GLN 22 HE21 GLN 22 -11.429 4.425 12.549 193 HE22 GLN 22 HE22 GLN 22 -11.759 3.740 14.099 194 H VAL 23 H VAL 23 -7.398 4.260 8.890 195 HA VAL 23 HA VAL 23 -5.237 2.511 9.687 196 HB VAL 23 HB VAL 23 -7.287 2.045 8.069 197 HG11 VAL 23 HG11 VAL 23 -5.238 2.468 5.961 198 HG12 VAL 23 HG12 VAL 23 -6.998 2.476 5.847 199 HG13 VAL 23 HG13 VAL 23 -6.152 3.869 6.521 200 HG21 VAL 23 HG21 VAL 23 -6.297 0.059 8.115 201 HG22 VAL 23 HG22 VAL 23 -5.147 0.597 6.890 202 HG23 VAL 23 HG23 VAL 23 -4.782 0.820 8.601 203 H GLU 24 H GLU 24 -3.422 2.174 8.035 204 HA GLU 24 HA GLU 24 -2.185 4.776 7.573 205 HB2 GLU 24 HB2 GLU 24 -1.241 2.155 8.287 206 HB3 GLU 24 HB3 GLU 24 -0.412 2.708 6.839 207 HG2 GLU 24 HG2 GLU 24 0.898 3.379 8.684 208 HG3 GLU 24 HG3 GLU 24 0.114 4.829 8.060 209 H VAL 25 H VAL 25 -1.940 5.657 5.623 210 HA VAL 25 HA VAL 25 -2.189 3.943 3.247 211 HB VAL 25 HB VAL 25 -4.350 4.999 3.513 212 HG11 VAL 25 HG11 VAL 25 -2.985 7.678 3.383 213 HG12 VAL 25 HG12 VAL 25 -4.686 7.340 3.702 214 HG13 VAL 25 HG13 VAL 25 -3.461 6.910 4.897 215 HG21 VAL 25 HG21 VAL 25 -3.505 4.741 1.242 216 HG22 VAL 25 HG22 VAL 25 -4.492 6.196 1.376 217 HG23 VAL 25 HG23 VAL 25 -2.734 6.324 1.336 218 H ARG 26 H ARG 26 -0.524 4.193 1.919 219 HA ARG 26 HA ARG 26 0.862 6.788 1.855 220 HB2 ARG 26 HB2 ARG 26 2.013 4.034 2.148 221 HB3 ARG 26 HB3 ARG 26 2.950 5.301 1.366 222 HG2 ARG 26 HG2 ARG 26 3.577 5.202 3.666 223 HG3 ARG 26 HG3 ARG 26 2.666 6.690 3.403 224 HD2 ARG 26 HD2 ARG 26 0.939 6.019 4.698 225 HD3 ARG 26 HD3 ARG 26 1.085 4.333 4.201 226 HE ARG 26 HE ARG 26 2.310 3.963 6.082 227 HH11 ARG 26 HH11 ARG 26 2.489 7.352 5.305 228 HH12 ARG 26 HH12 ARG 26 3.400 7.762 6.721 229 HH21 ARG 26 HH21 ARG 26 3.510 4.490 7.948 230 HH22 ARG 26 HH22 ARG 26 3.982 6.133 8.223 231 H VAL 27 H VAL 27 0.802 7.645 -0.105 232 HA VAL 27 HA VAL 27 0.213 5.959 -2.408 233 HB VAL 27 HB VAL 27 -1.114 7.958 -2.224 234 HG11 VAL 27 HG11 VAL 27 0.763 10.025 -2.741 235 HG12 VAL 27 HG12 VAL 27 -0.300 9.828 -1.347 236 HG13 VAL 27 HG13 VAL 27 1.317 9.122 -1.331 237 HG21 VAL 27 HG21 VAL 27 -1.072 8.396 -4.427 238 HG22 VAL 27 HG22 VAL 27 0.618 8.899 -4.395 239 HG23 VAL 27 HG23 VAL 27 0.209 7.185 -4.476 240 H VAL 28 H VAL 28 1.636 5.443 -3.956 241 HA VAL 28 HA VAL 28 4.240 6.822 -3.973 242 HB VAL 28 HB VAL 28 3.914 3.887 -4.574 243 HG11 VAL 28 HG11 VAL 28 6.393 5.370 -3.746 244 HG12 VAL 28 HG12 VAL 28 6.262 3.785 -4.507 245 HG13 VAL 28 HG13 VAL 28 5.893 5.239 -5.432 246 HG21 VAL 28 HG21 VAL 28 3.247 4.265 -2.259 247 HG22 VAL 28 HG22 VAL 28 4.800 3.435 -2.336 248 HG23 VAL 28 HG23 VAL 28 4.738 5.156 -1.963 249 H THR 29 H THR 29 5.149 7.232 -5.952 250 HA THR 29 HA THR 29 3.559 6.469 -8.314 251 HB THR 29 HB THR 29 4.247 8.635 -9.344 252 HG1 THR 29 HG1 THR 29 5.819 9.601 -8.294 253 HG21 THR 29 HG21 THR 29 2.883 9.831 -7.171 254 HG22 THR 29 HG22 THR 29 2.212 9.272 -8.703 255 HG23 THR 29 HG23 THR 29 2.283 8.179 -7.321 256 H THR 30 H THR 30 6.706 6.961 -6.904 257 HA THR 30 HA THR 30 7.929 5.812 -9.329 258 HB THR 30 HB THR 30 9.870 7.165 -7.685 259 HG1 THR 30 HG1 THR 30 8.500 8.716 -7.068 260 HG21 THR 30 HG21 THR 30 8.881 7.382 -10.514 261 HG22 THR 30 HG22 THR 30 10.113 8.474 -9.881 262 HG23 THR 30 HG23 THR 30 10.412 6.736 -9.926 263 H GLU 31 H GLU 31 10.100 4.749 -8.807 264 HA GLU 31 HA GLU 31 9.637 2.673 -6.928 265 HB2 GLU 31 HB2 GLU 31 12.078 2.100 -7.479 266 HB3 GLU 31 HB3 GLU 31 10.910 2.045 -8.792 267 HG2 GLU 31 HG2 GLU 31 11.669 4.116 -9.668 268 HG3 GLU 31 HG3 GLU 31 12.660 4.424 -8.244 269 H GLU 32 H GLU 32 11.747 5.514 -6.947 270 HA GLU 32 HA GLU 32 13.150 4.979 -4.585 271 HB2 GLU 32 HB2 GLU 32 12.887 7.152 -6.420 272 HB3 GLU 32 HB3 GLU 32 12.751 7.786 -4.786 273 HG2 GLU 32 HG2 GLU 32 14.898 7.283 -4.257 274 HG3 GLU 32 HG3 GLU 32 14.950 5.880 -5.323 275 H ASP 33 H ASP 33 10.087 6.667 -5.123 276 HA ASP 33 HA ASP 33 9.663 7.575 -2.514 277 HB2 ASP 33 HB2 ASP 33 8.328 8.321 -4.442 278 HB3 ASP 33 HB3 ASP 33 7.600 6.721 -4.557 279 H ALA 34 H ALA 34 8.630 4.550 -4.068 280 HA ALA 34 HA ALA 34 7.208 3.449 -1.953 281 HB1 ALA 34 HB1 ALA 34 8.063 2.603 -4.473 282 HB2 ALA 34 HB2 ALA 34 8.694 1.410 -3.338 283 HB3 ALA 34 HB3 ALA 34 6.967 1.762 -3.378 284 H LYS 35 H LYS 35 10.678 3.265 -2.660 285 HA LYS 35 HA LYS 35 11.471 1.480 -0.704 286 HB2 LYS 35 HB2 LYS 35 12.730 3.292 -2.471 287 HB3 LYS 35 HB3 LYS 35 13.389 3.613 -0.872 288 HG2 LYS 35 HG2 LYS 35 14.794 1.939 -1.271 289 HG3 LYS 35 HG3 LYS 35 13.416 0.864 -1.023 290 HD2 LYS 35 HD2 LYS 35 13.712 0.149 -3.111 291 HD3 LYS 35 HD3 LYS 35 13.179 1.740 -3.659 292 HE2 LYS 35 HE2 LYS 35 15.827 2.133 -2.972 293 HE3 LYS 35 HE3 LYS 35 15.825 0.533 -3.714 294 HZ1 LYS 35 HZ1 LYS 35 14.623 1.531 -5.616 295 HZ2 LYS 35 HZ2 LYS 35 14.831 3.058 -4.918 296 HZ3 LYS 35 HZ3 LYS 35 16.179 2.159 -5.404 297 H GLN 36 H GLN 36 11.282 5.030 -0.427 298 HA GLN 36 HA GLN 36 11.954 5.110 2.315 299 HB2 GLN 36 HB2 GLN 36 10.764 7.029 0.364 300 HB3 GLN 36 HB3 GLN 36 10.660 7.409 2.077 301 HG2 GLN 36 HG2 GLN 36 13.128 7.141 2.219 302 HG3 GLN 36 HG3 GLN 36 13.158 6.952 0.467 303 HE21 GLN 36 HE21 GLN 36 13.022 8.718 -0.813 304 HE22 GLN 36 HE22 GLN 36 12.934 10.339 -0.222 305 H VAL 37 H VAL 37 8.951 4.627 0.613 306 HA VAL 37 HA VAL 37 7.205 5.163 2.788 307 HB VAL 37 HB VAL 37 6.787 3.494 0.306 308 HG11 VAL 37 HG11 VAL 37 5.175 2.689 1.792 309 HG12 VAL 37 HG12 VAL 37 4.915 4.277 2.514 310 HG13 VAL 37 HG13 VAL 37 4.327 3.941 0.885 311 HG21 VAL 37 HG21 VAL 37 5.269 5.926 0.456 312 HG22 VAL 37 HG22 VAL 37 6.986 6.269 0.669 313 HG23 VAL 37 HG23 VAL 37 6.430 5.408 -0.767 314 H VAL 38 H VAL 38 8.284 2.081 1.347 315 HA VAL 38 HA VAL 38 7.102 0.379 3.206 316 HB VAL 38 HB VAL 38 8.778 -1.300 2.521 317 HG11 VAL 38 HG11 VAL 38 7.979 0.140 0.029 318 HG12 VAL 38 HG12 VAL 38 7.930 -1.584 0.393 319 HG13 VAL 38 HG13 VAL 38 6.741 -0.496 1.110 320 HG21 VAL 38 HG21 VAL 38 10.007 0.954 0.935 321 HG22 VAL 38 HG22 VAL 38 10.708 0.219 2.377 322 HG23 VAL 38 HG23 VAL 38 10.506 -0.738 0.910 323 H LYS 39 H LYS 39 10.098 2.184 3.359 324 HA LYS 39 HA LYS 39 11.187 0.831 5.612 325 HB2 LYS 39 HB2 LYS 39 12.235 2.533 3.836 326 HB3 LYS 39 HB3 LYS 39 11.868 3.685 5.114 327 HG2 LYS 39 HG2 LYS 39 13.149 2.195 6.679 328 HG3 LYS 39 HG3 LYS 39 13.669 1.282 5.261 329 HD2 LYS 39 HD2 LYS 39 14.956 3.020 4.451 330 HD3 LYS 39 HD3 LYS 39 14.029 4.247 5.317 331 HE2 LYS 39 HE2 LYS 39 15.418 4.163 7.052 332 HE3 LYS 39 HE3 LYS 39 15.256 2.410 7.164 333 HZ1 LYS 39 HZ1 LYS 39 17.499 3.779 6.425 334 HZ2 LYS 39 HZ2 LYS 39 17.227 2.123 6.210 335 HZ3 LYS 39 HZ3 LYS 39 16.885 3.206 4.955 336 H GLU 40 H GLU 40 9.307 3.816 5.232 337 HA GLU 40 HA GLU 40 9.333 4.608 7.920 338 HB2 GLU 40 HB2 GLU 40 8.378 5.701 5.641 339 HB3 GLU 40 HB3 GLU 40 6.873 5.158 6.370 340 HG2 GLU 40 HG2 GLU 40 7.654 6.368 8.473 341 HG3 GLU 40 HG3 GLU 40 8.861 7.130 7.438 342 H VAL 41 H VAL 41 6.999 2.627 6.120 343 HA VAL 41 HA VAL 41 5.246 2.201 8.304 344 HB VAL 41 HB VAL 41 4.324 0.343 6.956 345 HG11 VAL 41 HG11 VAL 41 4.351 2.119 4.776 346 HG12 VAL 41 HG12 VAL 41 3.135 1.982 6.047 347 HG13 VAL 41 HG13 VAL 41 4.480 3.109 6.230 348 HG21 VAL 41 HG21 VAL 41 5.242 -0.014 4.675 349 HG22 VAL 41 HG22 VAL 41 6.625 0.988 5.117 350 HG23 VAL 41 HG23 VAL 41 6.331 -0.532 5.963 351 H GLN 42 H GLN 42 8.061 0.471 7.092 352 HA GLN 42 HA GLN 42 7.802 -1.898 8.538 353 HB2 GLN 42 HB2 GLN 42 9.459 -1.520 6.738 354 HB3 GLN 42 HB3 GLN 42 10.362 -0.463 7.815 355 HG2 GLN 42 HG2 GLN 42 10.732 -2.342 9.339 356 HG3 GLN 42 HG3 GLN 42 9.849 -3.398 8.238 357 HE21 GLN 42 HE21 GLN 42 12.821 -1.848 8.931 358 HE22 GLN 42 HE22 GLN 42 13.723 -2.485 7.602 359 H LYS 43 H LYS 43 9.256 1.192 9.456 360 HA LYS 43 HA LYS 43 10.208 0.308 11.985 361 HB2 LYS 43 HB2 LYS 43 10.929 2.374 10.626 362 HB3 LYS 43 HB3 LYS 43 9.517 3.161 11.318 363 HG2 LYS 43 HG2 LYS 43 10.387 2.738 13.566 364 HG3 LYS 43 HG3 LYS 43 11.812 1.969 12.862 365 HD2 LYS 43 HD2 LYS 43 12.498 4.026 11.845 366 HD3 LYS 43 HD3 LYS 43 10.986 4.815 12.300 367 HE2 LYS 43 HE2 LYS 43 11.569 4.885 14.562 368 HE3 LYS 43 HE3 LYS 43 12.819 3.657 14.372 369 HZ1 LYS 43 HZ1 LYS 43 12.905 6.472 13.445 370 HZ2 LYS 43 HZ2 LYS 43 13.895 5.737 14.604 371 HZ3 LYS 43 HZ3 LYS 43 14.038 5.307 12.975 372 H LYS 44 H LYS 44 7.227 1.821 10.880 373 HA LYS 44 HA LYS 44 6.147 2.329 13.452 374 HB2 LYS 44 HB2 LYS 44 5.337 2.649 10.719 375 HB3 LYS 44 HB3 LYS 44 4.029 1.895 11.622 376 HG2 LYS 44 HG2 LYS 44 4.444 3.776 13.342 377 HG3 LYS 44 HG3 LYS 44 5.295 4.574 12.017 378 HD2 LYS 44 HD2 LYS 44 3.363 4.738 10.718 379 HD3 LYS 44 HD3 LYS 44 2.525 3.487 11.639 380 HE2 LYS 44 HE2 LYS 44 3.337 5.821 13.216 381 HE3 LYS 44 HE3 LYS 44 2.162 6.172 11.949 382 HZ1 LYS 44 HZ1 LYS 44 1.472 3.810 13.374 383 HZ2 LYS 44 HZ2 LYS 44 1.638 5.121 14.431 384 HZ3 LYS 44 HZ3 LYS 44 0.564 5.216 13.127 385 H GLY 45 H GLY 45 6.098 -0.448 11.307 386 HA2 GLY 45 HA2 GLY 45 5.934 -2.641 12.373 387 HA3 GLY 45 HA3 GLY 45 4.714 -1.956 13.438 388 H VAL 46 H VAL 46 5.325 -2.429 9.957 389 HA VAL 46 HA VAL 46 2.451 -2.697 9.508 390 HB VAL 46 HB VAL 46 3.898 -1.295 7.992 391 HG11 VAL 46 HG11 VAL 46 5.713 -3.154 8.009 392 HG12 VAL 46 HG12 VAL 46 4.759 -3.850 6.699 393 HG13 VAL 46 HG13 VAL 46 5.433 -2.229 6.534 394 HG21 VAL 46 HG21 VAL 46 2.662 -1.839 6.056 395 HG22 VAL 46 HG22 VAL 46 2.526 -3.534 6.525 396 HG23 VAL 46 HG23 VAL 46 1.640 -2.297 7.417 397 H GLN 47 H GLN 47 1.611 -4.484 8.249 398 HA GLN 47 HA GLN 47 3.201 -6.948 8.519 399 HB2 GLN 47 HB2 GLN 47 1.585 -7.113 10.233 400 HB3 GLN 47 HB3 GLN 47 0.312 -6.464 9.208 401 HG2 GLN 47 HG2 GLN 47 0.230 -8.475 7.922 402 HG3 GLN 47 HG3 GLN 47 1.655 -9.114 8.740 403 HE21 GLN 47 HE21 GLN 47 1.314 -8.965 11.270 404 HE22 GLN 47 HE22 GLN 47 -0.155 -9.691 11.817 405 H LYS 48 H LYS 48 0.726 -5.192 6.748 406 HA LYS 48 HA LYS 48 1.186 -6.989 4.459 407 HB2 LYS 48 HB2 LYS 48 -1.351 -5.924 5.602 408 HB3 LYS 48 HB3 LYS 48 -1.244 -6.085 3.854 409 HG2 LYS 48 HG2 LYS 48 -0.598 -8.355 5.707 410 HG3 LYS 48 HG3 LYS 48 -2.239 -8.030 5.143 411 HD2 LYS 48 HD2 LYS 48 -1.530 -8.283 2.839 412 HD3 LYS 48 HD3 LYS 48 0.145 -8.503 3.353 413 HE2 LYS 48 HE2 LYS 48 -2.193 -10.329 3.884 414 HE3 LYS 48 HE3 LYS 48 -0.787 -10.657 2.872 415 HZ1 LYS 48 HZ1 LYS 48 0.292 -10.050 5.288 416 HZ2 LYS 48 HZ2 LYS 48 -1.094 -10.924 5.710 417 HZ3 LYS 48 HZ3 LYS 48 0.059 -11.611 4.679 418 H VAL 49 H VAL 49 0.665 -5.936 2.336 419 HA VAL 49 HA VAL 49 0.889 -3.039 2.288 420 HB VAL 49 HB VAL 49 2.987 -4.793 1.004 421 HG11 VAL 49 HG11 VAL 49 2.262 -1.925 0.683 422 HG12 VAL 49 HG12 VAL 49 3.965 -2.379 0.621 423 HG13 VAL 49 HG13 VAL 49 2.821 -3.090 -0.517 424 HG21 VAL 49 HG21 VAL 49 4.542 -3.568 2.491 425 HG22 VAL 49 HG22 VAL 49 3.155 -2.810 3.271 426 HG23 VAL 49 HG23 VAL 49 3.379 -4.556 3.373 427 H VAL 50 H VAL 50 -0.637 -2.439 0.910 428 HA VAL 50 HA VAL 50 -1.086 -4.076 -1.501 429 HB VAL 50 HB VAL 50 -3.073 -2.332 -0.037 430 HG11 VAL 50 HG11 VAL 50 -4.714 -3.262 -1.621 431 HG12 VAL 50 HG12 VAL 50 -3.479 -2.293 -2.424 432 HG13 VAL 50 HG13 VAL 50 -3.401 -4.054 -2.492 433 HG21 VAL 50 HG21 VAL 50 -3.681 -5.166 -0.358 434 HG22 VAL 50 HG22 VAL 50 -2.240 -4.870 0.616 435 HG23 VAL 50 HG23 VAL 50 -3.779 -4.140 1.074 436 H VAL 51 H VAL 51 -1.300 -3.061 -3.476 437 HA VAL 51 HA VAL 51 -0.899 -0.150 -3.544 438 HB VAL 51 HB VAL 51 0.698 -0.373 -5.389 439 HG11 VAL 51 HG11 VAL 51 2.330 -0.328 -3.881 440 HG12 VAL 51 HG12 VAL 51 1.171 -0.899 -2.680 441 HG13 VAL 51 HG13 VAL 51 2.158 -2.056 -3.572 442 HG21 VAL 51 HG21 VAL 51 0.549 -2.290 -6.549 443 HG22 VAL 51 HG22 VAL 51 1.668 -2.918 -5.338 444 HG23 VAL 51 HG23 VAL 51 -0.066 -3.194 -5.164 445 H VAL 52 H VAL 52 -1.750 0.910 -5.349 446 HA VAL 52 HA VAL 52 -3.527 -0.731 -7.036 447 HB VAL 52 HB VAL 52 -4.084 2.138 -6.321 448 HG11 VAL 52 HG11 VAL 52 -6.078 1.865 -7.370 449 HG12 VAL 52 HG12 VAL 52 -5.161 0.649 -8.260 450 HG13 VAL 52 HG13 VAL 52 -6.206 0.164 -6.924 451 HG21 VAL 52 HG21 VAL 52 -5.862 0.568 -4.874 452 HG22 VAL 52 HG22 VAL 52 -4.291 -0.193 -4.617 453 HG23 VAL 52 HG23 VAL 52 -4.520 1.512 -4.227 454 H GLY 53 H GLY 53 -3.255 -0.568 -9.172 455 HA2 GLY 53 HA2 GLY 53 -2.527 0.180 -11.217 456 HA3 GLY 53 HA3 GLY 53 -2.551 1.799 -10.536 457 H VAL 54 H VAL 54 -0.622 -0.337 -8.758 458 HA VAL 54 HA VAL 54 1.788 0.929 -9.835 459 HB VAL 54 HB VAL 54 1.459 -0.702 -7.313 460 HG11 VAL 54 HG11 VAL 54 3.746 1.013 -8.276 461 HG12 VAL 54 HG12 VAL 54 3.648 0.214 -6.706 462 HG13 VAL 54 HG13 VAL 54 3.734 -0.749 -8.181 463 HG21 VAL 54 HG21 VAL 54 0.178 1.329 -7.136 464 HG22 VAL 54 HG22 VAL 54 1.642 1.493 -6.167 465 HG23 VAL 54 HG23 VAL 54 1.533 2.282 -7.740 466 H SER 55 H SER 55 3.500 -0.207 -10.656 467 HA SER 55 HA SER 55 3.007 -2.632 -11.954 468 HB2 SER 55 HB2 SER 55 5.656 -1.353 -11.237 469 HB3 SER 55 HB3 SER 55 5.454 -2.675 -12.385 470 HG SER 55 HG SER 55 3.828 -1.041 -13.333 471 H GLU 56 H GLU 56 3.329 -4.731 -11.444 472 HA GLU 56 HA GLU 56 3.563 -5.454 -8.707 473 HB2 GLU 56 HB2 GLU 56 3.521 -7.781 -9.550 474 HB3 GLU 56 HB3 GLU 56 2.222 -6.796 -10.210 475 HG2 GLU 56 HG2 GLU 56 2.875 -7.763 -12.132 476 HG3 GLU 56 HG3 GLU 56 4.037 -6.438 -12.132 477 H LYS 57 H LYS 57 5.768 -5.528 -11.455 478 HA LYS 57 HA LYS 57 7.839 -7.014 -10.308 479 HB2 LYS 57 HB2 LYS 57 9.281 -6.018 -11.996 480 HB3 LYS 57 HB3 LYS 57 7.725 -6.437 -12.701 481 HG2 LYS 57 HG2 LYS 57 7.037 -4.058 -12.426 482 HG3 LYS 57 HG3 LYS 57 8.688 -3.697 -11.916 483 HD2 LYS 57 HD2 LYS 57 8.619 -3.183 -14.213 484 HD3 LYS 57 HD3 LYS 57 9.429 -4.748 -14.112 485 HE2 LYS 57 HE2 LYS 57 7.890 -5.659 -15.429 486 HE3 LYS 57 HE3 LYS 57 6.614 -5.171 -14.316 487 HZ1 LYS 57 HZ1 LYS 57 7.664 -3.709 -16.658 488 HZ2 LYS 57 HZ2 LYS 57 6.068 -4.154 -16.320 489 HZ3 LYS 57 HZ3 LYS 57 6.803 -2.912 -15.438 490 H VAL 58 H VAL 58 6.985 -3.627 -10.005 491 HA VAL 58 HA VAL 58 9.399 -2.828 -8.708 492 HB VAL 58 HB VAL 58 6.686 -1.498 -8.708 493 HG11 VAL 58 HG11 VAL 58 7.772 -0.506 -6.923 494 HG12 VAL 58 HG12 VAL 58 9.363 -0.665 -7.668 495 HG13 VAL 58 HG13 VAL 58 8.226 0.546 -8.263 496 HG21 VAL 58 HG21 VAL 58 7.503 -0.138 -10.500 497 HG22 VAL 58 HG22 VAL 58 9.108 -0.858 -10.383 498 HG23 VAL 58 HG23 VAL 58 7.746 -1.827 -10.945 499 H VAL 59 H VAL 59 6.078 -3.283 -7.480 500 HA VAL 59 HA VAL 59 6.721 -3.008 -4.764 501 HB VAL 59 HB VAL 59 4.572 -4.134 -4.307 502 HG11 VAL 59 HG11 VAL 59 4.962 -1.793 -5.959 503 HG12 VAL 59 HG12 VAL 59 3.392 -2.539 -6.251 504 HG13 VAL 59 HG13 VAL 59 3.847 -2.052 -4.618 505 HG21 VAL 59 HG21 VAL 59 3.182 -4.691 -6.383 506 HG22 VAL 59 HG22 VAL 59 4.721 -4.740 -7.244 507 HG23 VAL 59 HG23 VAL 59 4.426 -5.845 -5.901 508 H GLN 60 H GLN 60 6.681 -5.823 -6.881 509 HA GLN 60 HA GLN 60 6.929 -7.830 -4.961 510 HB2 GLN 60 HB2 GLN 60 6.454 -8.365 -7.270 511 HB3 GLN 60 HB3 GLN 60 7.999 -7.699 -7.783 512 HG2 GLN 60 HG2 GLN 60 9.102 -9.575 -7.301 513 HG3 GLN 60 HG3 GLN 60 8.246 -9.799 -5.775 514 HE21 GLN 60 HE21 GLN 60 7.817 -10.083 -9.275 515 HE22 GLN 60 HE22 GLN 60 6.775 -11.459 -9.213 516 H LYS 61 H LYS 61 9.463 -6.039 -6.697 517 HA LYS 61 HA LYS 61 11.678 -7.310 -5.588 518 HB2 LYS 61 HB2 LYS 61 11.641 -5.642 -7.495 519 HB3 LYS 61 HB3 LYS 61 11.546 -4.374 -6.280 520 HG2 LYS 61 HG2 LYS 61 13.678 -5.604 -5.332 521 HG3 LYS 61 HG3 LYS 61 13.814 -6.147 -7.006 522 HD2 LYS 61 HD2 LYS 61 13.360 -3.253 -6.389 523 HD3 LYS 61 HD3 LYS 61 14.982 -3.943 -6.275 524 HE2 LYS 61 HE2 LYS 61 14.588 -4.830 -8.631 525 HE3 LYS 61 HE3 LYS 61 13.195 -3.750 -8.685 526 HZ1 LYS 61 HZ1 LYS 61 15.559 -2.992 -9.506 527 HZ2 LYS 61 HZ2 LYS 61 14.504 -1.911 -8.742 528 HZ3 LYS 61 HZ3 LYS 61 15.767 -2.622 -7.868 529 H VAL 62 H VAL 62 10.432 -4.113 -4.603 530 HA VAL 62 HA VAL 62 11.911 -3.837 -2.285 531 HB VAL 62 HB VAL 62 10.063 -2.336 -1.480 532 HG11 VAL 62 HG11 VAL 62 11.899 -1.503 -2.860 533 HG12 VAL 62 HG12 VAL 62 10.997 -1.918 -4.318 534 HG13 VAL 62 HG13 VAL 62 10.392 -0.666 -3.234 535 HG21 VAL 62 HG21 VAL 62 8.767 -3.332 -4.008 536 HG22 VAL 62 HG22 VAL 62 8.127 -3.383 -2.365 537 HG23 VAL 62 HG23 VAL 62 8.288 -1.839 -3.203 538 H LYS 63 H LYS 63 8.745 -5.367 -2.718 539 HA LYS 63 HA LYS 63 8.078 -5.872 -0.088 540 HB2 LYS 63 HB2 LYS 63 6.483 -6.365 -1.779 541 HB3 LYS 63 HB3 LYS 63 7.581 -7.472 -2.594 542 HG2 LYS 63 HG2 LYS 63 7.073 -8.283 0.137 543 HG3 LYS 63 HG3 LYS 63 5.583 -8.137 -0.800 544 HD2 LYS 63 HD2 LYS 63 6.767 -9.504 -2.594 545 HD3 LYS 63 HD3 LYS 63 7.988 -9.854 -1.367 546 HE2 LYS 63 HE2 LYS 63 5.353 -10.281 -0.303 547 HE3 LYS 63 HE3 LYS 63 5.556 -11.185 -1.803 548 HZ1 LYS 63 HZ1 LYS 63 6.264 -12.258 0.411 549 HZ2 LYS 63 HZ2 LYS 63 7.284 -12.414 -0.930 550 HZ3 LYS 63 HZ3 LYS 63 7.641 -11.283 0.276 551 H GLN 64 H GLN 64 10.150 -7.784 -2.236 552 HA GLN 64 HA GLN 64 10.610 -9.922 -0.478 553 HB2 GLN 64 HB2 GLN 64 11.219 -9.546 -3.027 554 HB3 GLN 64 HB3 GLN 64 12.759 -9.038 -2.349 555 HG2 GLN 64 HG2 GLN 64 13.195 -11.144 -1.448 556 HG3 GLN 64 HG3 GLN 64 11.513 -11.653 -1.592 557 HE21 GLN 64 HE21 GLN 64 14.095 -10.424 -3.701 558 HE22 GLN 64 HE22 GLN 64 13.836 -11.568 -4.969 559 H GLU 65 H GLU 65 12.415 -6.915 -1.007 560 HA GLU 65 HA GLU 65 14.348 -7.544 1.031 561 HB2 GLU 65 HB2 GLU 65 13.820 -5.142 -0.696 562 HB3 GLU 65 HB3 GLU 65 14.968 -5.064 0.633 563 HG2 GLU 65 HG2 GLU 65 16.166 -6.998 -0.389 564 HG3 GLU 65 HG3 GLU 65 15.093 -6.852 -1.780 565 H ALA 66 H ALA 66 11.202 -6.632 1.183 566 HA ALA 66 HA ALA 66 11.543 -4.914 3.537 567 HB1 ALA 66 HB1 ALA 66 8.938 -4.807 3.234 568 HB2 ALA 66 HB2 ALA 66 10.008 -3.849 2.208 569 HB3 ALA 66 HB3 ALA 66 9.322 -5.356 1.602 570 H ASN 67 H ASN 67 10.574 -8.084 2.560 571 HA ASN 67 HA ASN 67 10.051 -9.952 3.754 572 HB2 ASN 67 HB2 ASN 67 11.793 -8.758 5.358 573 HB3 ASN 67 HB3 ASN 67 10.368 -8.546 6.371 574 HD21 ASN 67 HD21 ASN 67 12.768 -10.689 5.280 575 HD22 ASN 67 HD22 ASN 67 12.214 -12.103 6.103 576 H VAL 68 H VAL 68 7.953 -8.555 2.833 577 HA VAL 68 HA VAL 68 5.937 -9.051 4.882 578 HB VAL 68 HB VAL 68 4.745 -6.941 4.345 579 HG11 VAL 68 HG11 VAL 68 7.512 -6.370 5.381 580 HG12 VAL 68 HG12 VAL 68 6.000 -5.572 5.815 581 HG13 VAL 68 HG13 VAL 68 6.294 -7.238 6.317 582 HG21 VAL 68 HG21 VAL 68 6.173 -5.108 3.333 583 HG22 VAL 68 HG22 VAL 68 7.264 -6.386 2.795 584 HG23 VAL 68 HG23 VAL 68 5.596 -6.350 2.221 585 H GLN 69 H GLN 69 3.671 -8.742 3.853 586 HA GLN 69 HA GLN 69 3.691 -10.248 1.362 587 HB2 GLN 69 HB2 GLN 69 1.918 -10.009 3.642 588 HB3 GLN 69 HB3 GLN 69 1.039 -9.827 2.130 589 HG2 GLN 69 HG2 GLN 69 0.937 -12.050 2.136 590 HG3 GLN 69 HG3 GLN 69 2.617 -11.986 1.606 591 HE21 GLN 69 HE21 GLN 69 4.215 -11.791 3.460 592 HE22 GLN 69 HE22 GLN 69 3.929 -12.812 4.825 593 H VAL 70 H VAL 70 3.074 -9.476 -0.571 594 HA VAL 70 HA VAL 70 2.163 -6.677 -0.678 595 HB VAL 70 HB VAL 70 4.306 -6.941 -1.754 596 HG11 VAL 70 HG11 VAL 70 4.615 -8.446 -3.668 597 HG12 VAL 70 HG12 VAL 70 4.232 -9.330 -2.191 598 HG13 VAL 70 HG13 VAL 70 2.990 -9.085 -3.418 599 HG21 VAL 70 HG21 VAL 70 2.287 -6.799 -3.976 600 HG22 VAL 70 HG22 VAL 70 2.476 -5.509 -2.788 601 HG23 VAL 70 HG23 VAL 70 3.825 -5.948 -3.835 602 H TYR 71 H TYR 71 0.291 -6.181 -1.666 603 HA TYR 71 HA TYR 71 -1.077 -8.297 -3.187 604 HB2 TYR 71 HB2 TYR 71 -2.056 -6.703 -0.866 605 HB3 TYR 71 HB3 TYR 71 -3.203 -7.079 -2.147 606 HD1 TYR 71 HD1 TYR 71 -0.576 -8.848 -0.151 607 HD2 TYR 71 HD2 TYR 71 -4.471 -8.977 -1.859 608 HE1 TYR 71 HE1 TYR 71 -0.923 -11.079 0.823 609 HE2 TYR 71 HE2 TYR 71 -4.829 -11.208 -0.888 610 HH TYR 71 HH TYR 71 -3.627 -12.448 1.366 611 H ARG 72 H ARG 72 -2.127 -7.668 -5.012 612 HA ARG 72 HA ARG 72 -1.887 -4.827 -5.739 613 HB2 ARG 72 HB2 ARG 72 -0.602 -6.148 -7.241 614 HB3 ARG 72 HB3 ARG 72 -1.891 -7.332 -7.412 615 HG2 ARG 72 HG2 ARG 72 -3.080 -6.038 -8.877 616 HG3 ARG 72 HG3 ARG 72 -2.416 -4.528 -8.249 617 HD2 ARG 72 HD2 ARG 72 -0.649 -4.585 -9.638 618 HD3 ARG 72 HD3 ARG 72 -0.435 -6.325 -9.451 619 HE ARG 72 HE ARG 72 -1.782 -4.998 -11.569 620 HH11 ARG 72 HH11 ARG 72 -1.866 -7.871 -9.604 621 HH12 ARG 72 HH12 ARG 72 -2.662 -8.829 -10.808 622 HH21 ARG 72 HH21 ARG 72 -2.830 -6.248 -13.162 623 HH22 ARG 72 HH22 ARG 72 -3.209 -7.905 -12.832 624 H VAL 73 H VAL 73 -3.610 -3.768 -6.745 625 HA VAL 73 HA VAL 73 -6.160 -5.175 -6.954 626 HB VAL 73 HB VAL 73 -7.322 -3.313 -5.737 627 HG11 VAL 73 HG11 VAL 73 -6.475 -5.630 -4.798 628 HG12 VAL 73 HG12 VAL 73 -5.476 -4.588 -3.785 629 HG13 VAL 73 HG13 VAL 73 -7.232 -4.433 -3.747 630 HG21 VAL 73 HG21 VAL 73 -5.107 -2.556 -4.081 631 HG22 VAL 73 HG22 VAL 73 -4.751 -2.178 -5.767 632 HG23 VAL 73 HG23 VAL 73 -6.207 -1.535 -5.006 633 H THR 74 H THR 74 -7.499 -4.369 -8.505 634 HA THR 74 HA THR 74 -6.511 -2.026 -9.995 635 HB THR 74 HB THR 74 -8.238 -3.406 -11.695 636 HG1 THR 74 HG1 THR 74 -8.053 -5.231 -10.285 637 HG21 THR 74 HG21 THR 74 -5.404 -2.742 -11.514 638 HG22 THR 74 HG22 THR 74 -5.710 -4.207 -12.447 639 HG23 THR 74 HG23 THR 74 -6.490 -2.692 -12.903 640 H SER 75 H SER 75 -9.243 -3.534 -8.472 641 HA SER 75 HA SER 75 -10.967 -1.307 -9.329 642 HB2 SER 75 HB2 SER 75 -11.874 -3.916 -8.104 643 HB3 SER 75 HB3 SER 75 -12.866 -2.708 -8.918 644 HG SER 75 HG SER 75 -12.081 -3.332 -10.842 645 H ASN 76 H ASN 76 -12.557 -0.558 -7.688 646 HA ASN 76 HA ASN 76 -11.206 0.169 -5.290 647 HB2 ASN 76 HB2 ASN 76 -13.779 0.800 -6.590 648 HB3 ASN 76 HB3 ASN 76 -13.792 0.896 -4.831 649 HD21 ASN 76 HD21 ASN 76 -13.588 2.764 -7.371 650 HD22 ASN 76 HD22 ASN 76 -12.480 3.973 -6.827 651 H ASP 77 H ASP 77 -13.620 -2.223 -6.128 652 HA ASP 77 HA ASP 77 -14.546 -2.879 -3.575 653 HB2 ASP 77 HB2 ASP 77 -14.215 -4.612 -6.031 654 HB3 ASP 77 HB3 ASP 77 -15.086 -5.109 -4.583 655 H GLU 78 H GLU 78 -11.571 -3.667 -5.199 656 HA GLU 78 HA GLU 78 -10.833 -5.787 -3.413 657 HB2 GLU 78 HB2 GLU 78 -9.036 -4.192 -5.243 658 HB3 GLU 78 HB3 GLU 78 -8.708 -5.776 -4.554 659 HG2 GLU 78 HG2 GLU 78 -11.151 -5.943 -5.973 660 HG3 GLU 78 HG3 GLU 78 -9.975 -5.132 -7.006 661 H VAL 79 H VAL 79 -10.389 -2.331 -3.547 662 HA VAL 79 HA VAL 79 -8.276 -2.138 -1.670 663 HB VAL 79 HB VAL 79 -10.384 -0.098 -2.391 664 HG11 VAL 79 HG11 VAL 79 -8.229 1.337 -1.626 665 HG12 VAL 79 HG12 VAL 79 -9.570 0.926 -0.556 666 HG13 VAL 79 HG13 VAL 79 -8.098 -0.045 -0.539 667 HG21 VAL 79 HG21 VAL 79 -7.742 0.424 -3.396 668 HG22 VAL 79 HG22 VAL 79 -8.296 -1.163 -3.925 669 HG23 VAL 79 HG23 VAL 79 -9.262 0.269 -4.276 670 H GLU 80 H GLU 80 -11.788 -1.632 -1.317 671 HA GLU 80 HA GLU 80 -11.681 -1.297 1.500 672 HB2 GLU 80 HB2 GLU 80 -14.134 -1.528 1.408 673 HB3 GLU 80 HB3 GLU 80 -13.529 -0.396 0.207 674 HG2 GLU 80 HG2 GLU 80 -14.671 -1.506 -1.322 675 HG3 GLU 80 HG3 GLU 80 -13.580 -2.870 -1.080 676 H GLN 81 H GLN 81 -12.054 -4.064 -0.604 677 HA GLN 81 HA GLN 81 -12.966 -5.890 1.362 678 HB2 GLN 81 HB2 GLN 81 -13.291 -6.410 -0.960 679 HB3 GLN 81 HB3 GLN 81 -11.565 -6.308 -1.279 680 HG2 GLN 81 HG2 GLN 81 -11.147 -8.374 -0.460 681 HG3 GLN 81 HG3 GLN 81 -12.429 -8.277 0.746 682 HE21 GLN 81 HE21 GLN 81 -13.881 -9.789 0.420 683 HE22 GLN 81 HE22 GLN 81 -14.488 -10.310 -1.111 684 H VAL 82 H VAL 82 -9.739 -5.347 -0.047 685 HA VAL 82 HA VAL 82 -8.358 -7.202 1.527 686 HB VAL 82 HB VAL 82 -7.393 -4.644 0.247 687 HG11 VAL 82 HG11 VAL 82 -6.020 -6.560 2.002 688 HG12 VAL 82 HG12 VAL 82 -5.174 -6.178 0.503 689 HG13 VAL 82 HG13 VAL 82 -5.623 -4.886 1.615 690 HG21 VAL 82 HG21 VAL 82 -6.730 -7.410 -0.665 691 HG22 VAL 82 HG22 VAL 82 -8.289 -6.701 -1.086 692 HG23 VAL 82 HG23 VAL 82 -6.796 -5.908 -1.589 693 H VAL 83 H VAL 83 -8.828 -3.707 2.016 694 HA VAL 83 HA VAL 83 -7.408 -3.529 4.437 695 HB VAL 83 HB VAL 83 -9.691 -1.810 3.457 696 HG11 VAL 83 HG11 VAL 83 -8.275 -1.827 5.946 697 HG12 VAL 83 HG12 VAL 83 -7.912 -0.342 5.067 698 HG13 VAL 83 HG13 VAL 83 -9.587 -0.773 5.418 699 HG21 VAL 83 HG21 VAL 83 -7.601 -2.038 2.013 700 HG22 VAL 83 HG22 VAL 83 -8.092 -0.405 2.462 701 HG23 VAL 83 HG23 VAL 83 -6.755 -1.187 3.306 702 H LYS 84 H LYS 84 -10.862 -4.013 3.778 703 HA LYS 84 HA LYS 84 -11.922 -3.897 6.295 704 HB2 LYS 84 HB2 LYS 84 -13.355 -4.252 4.408 705 HB3 LYS 84 HB3 LYS 84 -12.579 -5.784 4.032 706 HG2 LYS 84 HG2 LYS 84 -13.807 -6.922 5.527 707 HG3 LYS 84 HG3 LYS 84 -13.755 -5.618 6.718 708 HD2 LYS 84 HD2 LYS 84 -15.326 -4.439 4.934 709 HD3 LYS 84 HD3 LYS 84 -15.689 -6.115 4.515 710 HE2 LYS 84 HE2 LYS 84 -17.205 -5.995 6.160 711 HE3 LYS 84 HE3 LYS 84 -15.824 -6.170 7.242 712 HZ1 LYS 84 HZ1 LYS 84 -16.384 -4.217 8.092 713 HZ2 LYS 84 HZ2 LYS 84 -15.959 -3.488 6.626 714 HZ3 LYS 84 HZ3 LYS 84 -17.562 -3.953 6.907 715 H ASP 85 H ASP 85 -10.936 -6.977 4.783 716 HA ASP 85 HA ASP 85 -10.940 -8.387 7.246 717 HB2 ASP 85 HB2 ASP 85 -10.564 -8.996 4.467 718 HB3 ASP 85 HB3 ASP 85 -9.277 -9.749 5.404 719 H VAL 86 H VAL 86 -8.568 -6.502 5.567 720 HA VAL 86 HA VAL 86 -6.513 -5.750 6.214 721 HB VAL 86 HB VAL 86 -6.845 -7.296 8.781 722 HG11 VAL 86 HG11 VAL 86 -5.552 -4.832 9.163 723 HG12 VAL 86 HG12 VAL 86 -4.846 -6.446 9.239 724 HG13 VAL 86 HG13 VAL 86 -4.835 -5.549 7.720 725 HG21 VAL 86 HG21 VAL 86 -7.843 -5.294 9.746 726 HG22 VAL 86 HG22 VAL 86 -7.785 -4.493 8.176 727 HG23 VAL 86 HG23 VAL 86 -8.824 -5.897 8.411 728 H LYS 87 H LYS 87 -6.649 -8.930 7.813 729 HA LYS 87 HA LYS 87 -4.490 -9.827 6.020 730 HB2 LYS 87 HB2 LYS 87 -3.506 -11.070 7.876 731 HB3 LYS 87 HB3 LYS 87 -3.599 -9.356 8.259 732 HG2 LYS 87 HG2 LYS 87 -4.530 -9.974 10.178 733 HG3 LYS 87 HG3 LYS 87 -5.974 -10.356 9.238 734 HD2 LYS 87 HD2 LYS 87 -5.195 -12.652 8.959 735 HD3 LYS 87 HD3 LYS 87 -3.729 -12.273 9.867 736 HE2 LYS 87 HE2 LYS 87 -5.860 -11.444 11.482 737 HE3 LYS 87 HE3 LYS 87 -6.343 -13.008 10.826 738 HZ1 LYS 87 HZ1 LYS 87 -4.664 -14.080 11.896 739 HZ2 LYS 87 HZ2 LYS 87 -3.629 -12.742 11.888 740 HZ3 LYS 87 HZ3 LYS 87 -4.905 -12.818 12.997 741 H GLY 88 H GLY 88 -4.517 -11.994 5.386 742 HA2 GLY 88 HA2 GLY 88 -5.774 -14.176 6.164 743 HA3 GLY 88 HA3 GLY 88 -7.150 -13.246 5.593 744 H SER 89 H SER 89 -7.574 -14.839 4.009 745 HA SER 89 HA SER 89 -5.633 -15.565 2.049 746 HB2 SER 89 HB2 SER 89 -7.294 -16.899 1.102 747 HB3 SER 89 HB3 SER 89 -7.800 -16.819 2.790 748 HG SER 89 HG SER 89 -9.360 -15.358 2.255 749 H GLY 90 H GLY 90 -6.846 -15.371 -0.374 750 HA2 GLY 90 HA2 GLY 90 -7.354 -12.500 -0.783 751 HA3 GLY 90 HA3 GLY 90 -6.088 -13.297 -1.704 752 H LEU 91 H LEU 91 -7.304 -15.716 -2.287 753 HA LEU 91 HA LEU 91 -8.666 -16.698 -3.820 754 HB2 LEU 91 HB2 LEU 91 -10.365 -15.917 -2.122 755 HB3 LEU 91 HB3 LEU 91 -10.652 -14.532 -3.174 756 HG LEU 91 HG LEU 91 -11.238 -16.233 -4.981 757 HD11 LEU 91 HD11 LEU 91 -12.166 -18.374 -3.878 758 HD12 LEU 91 HD12 LEU 91 -10.437 -18.268 -4.213 759 HD13 LEU 91 HD13 LEU 91 -11.036 -18.002 -2.576 760 HD21 LEU 91 HD21 LEU 91 -13.428 -15.980 -4.458 761 HD22 LEU 91 HD22 LEU 91 -13.209 -16.519 -2.793 762 HD23 LEU 91 HD23 LEU 91 -12.764 -14.875 -3.254 763 H GLU 92 H GLU 92 -7.080 -15.865 -5.389 764 HA GLU 92 HA GLU 92 -8.014 -13.612 -7.002 765 HB2 GLU 92 HB2 GLU 92 -5.442 -14.770 -6.398 766 HB3 GLU 92 HB3 GLU 92 -5.678 -14.688 -8.138 767 HG2 GLU 92 HG2 GLU 92 -5.855 -12.377 -8.136 768 HG3 GLU 92 HG3 GLU 92 -6.234 -12.310 -6.417 769 H HIS 93 H HIS 93 -8.668 -13.787 -9.104 770 HA HIS 93 HA HIS 93 -8.441 -16.255 -10.565 771 HB2 HIS 93 HB2 HIS 93 -10.951 -15.516 -9.176 772 HB3 HIS 93 HB3 HIS 93 -11.118 -16.066 -10.840 773 HD1 HIS 93 HD1 HIS 93 -10.716 -17.280 -7.432 774 HD2 HIS 93 HD2 HIS 93 -10.009 -18.739 -11.258 775 HE1 HIS 93 HE1 HIS 93 -10.477 -19.770 -7.168 776 H HIS 94 H HIS 94 -9.758 -16.058 -12.687 777 HA HIS 94 HA HIS 94 -10.361 -13.421 -13.611 778 HB2 HIS 94 HB2 HIS 94 -7.694 -13.917 -13.618 779 HB3 HIS 94 HB3 HIS 94 -8.135 -14.532 -15.208 780 HD1 HIS 94 HD1 HIS 94 -7.167 -12.700 -16.632 781 HD2 HIS 94 HD2 HIS 94 -9.666 -11.257 -13.644 782 HE1 HIS 94 HE1 HIS 94 -7.468 -10.254 -17.130 783 H HIS 95 H HIS 95 -10.456 -13.542 -16.188 784 HA HIS 95 HA HIS 95 -11.603 -16.152 -16.922 785 HB2 HIS 95 HB2 HIS 95 -13.455 -15.094 -18.019 786 HB3 HIS 95 HB3 HIS 95 -13.367 -14.444 -16.384 787 HD1 HIS 95 HD1 HIS 95 -12.704 -11.958 -16.130 788 HD2 HIS 95 HD2 HIS 95 -12.944 -13.260 -20.069 789 HE1 HIS 95 HE1 HIS 95 -12.676 -9.870 -17.531 790 H HIS 96 H HIS 96 -11.882 -16.358 -19.339 791 HA HIS 96 HA HIS 96 -10.432 -14.739 -21.130 792 HB2 HIS 96 HB2 HIS 96 -8.841 -16.586 -19.617 793 HB3 HIS 96 HB3 HIS 96 -8.846 -17.078 -21.308 794 HD1 HIS 96 HD1 HIS 96 -8.231 -14.994 -23.019 795 HD2 HIS 96 HD2 HIS 96 -7.008 -14.677 -19.061 796 HE1 HIS 96 HE1 HIS 96 -6.415 -13.254 -23.014 797 H HIS 97 H HIS 97 -11.218 -18.153 -20.489 798 HA HIS 97 HA HIS 97 -12.350 -19.707 -21.705 799 HB2 HIS 97 HB2 HIS 97 -13.427 -17.391 -23.318 800 HB3 HIS 97 HB3 HIS 97 -14.153 -18.983 -23.117 801 HD1 HIS 97 HD1 HIS 97 -13.531 -18.858 -19.902 802 HD2 HIS 97 HD2 HIS 97 -15.729 -16.194 -22.212 803 HE1 HIS 97 HE1 HIS 97 -15.082 -17.698 -18.299 804 H HIS 98 H HIS 98 -12.893 -20.188 -24.247 805 HA HIS 98 HA HIS 98 -10.540 -19.497 -25.844 806 HB2 HIS 98 HB2 HIS 98 -10.251 -21.717 -24.572 807 HB3 HIS 98 HB3 HIS 98 -11.472 -22.355 -25.670 808 HD1 HIS 98 HD1 HIS 98 -10.709 -23.045 -27.961 809 HD2 HIS 98 HD2 HIS 98 -7.821 -20.891 -25.893 810 HE1 HIS 98 HE1 HIS 98 -8.623 -23.205 -29.358 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -4.798 -7.278 12.660 2 HA2 GLY 1 HA2 GLY 1 -2.396 -7.786 12.332 3 HA3 GLY 1 HA3 GLY 1 -2.837 -8.360 10.730 4 H ARG 2 H ARG 2 -0.907 -6.641 10.622 5 HA ARG 2 HA ARG 2 -1.979 -3.938 10.353 6 HB2 ARG 2 HB2 ARG 2 0.599 -5.065 10.955 7 HB3 ARG 2 HB3 ARG 2 0.728 -4.000 9.561 8 HG2 ARG 2 HG2 ARG 2 0.930 -2.356 11.047 9 HG3 ARG 2 HG3 ARG 2 -0.809 -2.531 11.290 10 HD2 ARG 2 HD2 ARG 2 0.993 -4.334 12.813 11 HD3 ARG 2 HD3 ARG 2 0.927 -2.640 13.300 12 HE ARG 2 HE ARG 2 -1.102 -4.626 13.679 13 HH11 ARG 2 HH11 ARG 2 -0.508 -1.221 13.272 14 HH12 ARG 2 HH12 ARG 2 -1.956 -0.737 14.091 15 HH21 ARG 2 HH21 ARG 2 -3.013 -4.003 14.757 16 HH22 ARG 2 HH22 ARG 2 -3.380 -2.321 14.935 17 H VAL 3 H VAL 3 -1.798 -2.734 8.421 18 HA VAL 3 HA VAL 3 -0.933 -3.996 5.983 19 HB VAL 3 HB VAL 3 -3.204 -4.966 6.301 20 HG11 VAL 3 HG11 VAL 3 -4.027 -2.756 7.378 21 HG12 VAL 3 HG12 VAL 3 -4.350 -2.266 5.715 22 HG13 VAL 3 HG13 VAL 3 -5.138 -3.695 6.381 23 HG21 VAL 3 HG21 VAL 3 -3.429 -3.145 3.961 24 HG22 VAL 3 HG22 VAL 3 -2.048 -4.240 4.041 25 HG23 VAL 3 HG23 VAL 3 -3.690 -4.885 4.067 26 H VAL 4 H VAL 4 -0.887 -2.552 4.192 27 HA VAL 4 HA VAL 4 -1.487 0.257 4.809 28 HB VAL 4 HB VAL 4 1.071 -0.620 3.471 29 HG11 VAL 4 HG11 VAL 4 0.563 1.545 2.744 30 HG12 VAL 4 HG12 VAL 4 -0.052 2.028 4.325 31 HG13 VAL 4 HG13 VAL 4 1.679 1.789 4.088 32 HG21 VAL 4 HG21 VAL 4 0.679 0.338 6.304 33 HG22 VAL 4 HG22 VAL 4 1.029 -1.323 5.827 34 HG23 VAL 4 HG23 VAL 4 2.217 -0.053 5.535 35 H VAL 5 H VAL 5 -2.321 1.413 3.151 36 HA VAL 5 HA VAL 5 -2.743 -0.020 0.624 37 HB VAL 5 HB VAL 5 -4.160 2.471 1.570 38 HG11 VAL 5 HG11 VAL 5 -4.717 0.479 -0.621 39 HG12 VAL 5 HG12 VAL 5 -5.869 1.702 -0.086 40 HG13 VAL 5 HG13 VAL 5 -4.331 2.191 -0.796 41 HG21 VAL 5 HG21 VAL 5 -5.139 1.166 3.098 42 HG22 VAL 5 HG22 VAL 5 -5.962 0.396 1.743 43 HG23 VAL 5 HG23 VAL 5 -4.477 -0.306 2.386 44 H VAL 6 H VAL 6 -1.856 0.655 -1.227 45 HA VAL 6 HA VAL 6 -0.617 3.330 -1.286 46 HB VAL 6 HB VAL 6 0.497 0.874 -2.643 47 HG11 VAL 6 HG11 VAL 6 2.520 2.359 -2.845 48 HG12 VAL 6 HG12 VAL 6 1.132 2.834 -3.824 49 HG13 VAL 6 HG13 VAL 6 1.493 3.698 -2.330 50 HG21 VAL 6 HG21 VAL 6 1.170 0.296 -0.582 51 HG22 VAL 6 HG22 VAL 6 2.343 1.599 -0.773 52 HG23 VAL 6 HG23 VAL 6 0.829 1.893 0.082 53 H VAL 7 H VAL 7 -0.804 4.499 -3.161 54 HA VAL 7 HA VAL 7 -2.317 3.267 -5.365 55 HB VAL 7 HB VAL 7 -3.615 5.296 -5.664 56 HG11 VAL 7 HG11 VAL 7 -4.844 5.267 -3.411 57 HG12 VAL 7 HG12 VAL 7 -4.745 3.758 -4.321 58 HG13 VAL 7 HG13 VAL 7 -3.674 4.031 -2.945 59 HG21 VAL 7 HG21 VAL 7 -2.188 6.317 -3.209 60 HG22 VAL 7 HG22 VAL 7 -1.977 6.911 -4.857 61 HG23 VAL 7 HG23 VAL 7 -3.522 7.124 -4.034 62 H THR 8 H THR 8 -2.113 4.429 -7.423 63 HA THR 8 HA THR 8 0.608 5.454 -7.740 64 HB THR 8 HB THR 8 0.090 3.653 -9.235 65 HG1 THR 8 HG1 THR 8 1.174 5.645 -10.066 66 HG21 THR 8 HG21 THR 8 -2.321 3.734 -9.221 67 HG22 THR 8 HG22 THR 8 -2.311 5.291 -10.048 68 HG23 THR 8 HG23 THR 8 -1.757 3.843 -10.888 69 H SER 9 H SER 9 -2.631 6.528 -7.678 70 HA SER 9 HA SER 9 -1.799 9.131 -8.783 71 HB2 SER 9 HB2 SER 9 -4.615 8.053 -8.927 72 HB3 SER 9 HB3 SER 9 -3.941 9.445 -9.775 73 HG SER 9 HG SER 9 -2.524 7.880 -10.834 74 H GLU 10 H GLU 10 -2.505 10.971 -7.726 75 HA GLU 10 HA GLU 10 -2.865 10.800 -4.951 76 HB2 GLU 10 HB2 GLU 10 -3.203 13.193 -4.996 77 HB3 GLU 10 HB3 GLU 10 -1.923 12.768 -6.125 78 HG2 GLU 10 HG2 GLU 10 -3.819 12.762 -7.888 79 HG3 GLU 10 HG3 GLU 10 -4.701 13.704 -6.687 80 H GLN 11 H GLN 11 -5.157 11.016 -7.588 81 HA GLN 11 HA GLN 11 -7.452 11.767 -6.214 82 HB2 GLN 11 HB2 GLN 11 -6.818 10.794 -8.788 83 HB3 GLN 11 HB3 GLN 11 -8.096 9.757 -8.165 84 HG2 GLN 11 HG2 GLN 11 -8.512 12.639 -7.778 85 HG3 GLN 11 HG3 GLN 11 -8.513 12.088 -9.452 86 HE21 GLN 11 HE21 GLN 11 -10.248 11.039 -10.225 87 HE22 GLN 11 HE22 GLN 11 -11.645 10.632 -9.294 88 H VAL 12 H VAL 12 -6.241 8.477 -6.850 89 HA VAL 12 HA VAL 12 -8.255 7.108 -5.460 90 HB VAL 12 HB VAL 12 -5.394 6.185 -5.728 91 HG11 VAL 12 HG11 VAL 12 -6.870 4.857 -4.259 92 HG12 VAL 12 HG12 VAL 12 -7.976 4.629 -5.614 93 HG13 VAL 12 HG13 VAL 12 -6.345 3.963 -5.684 94 HG21 VAL 12 HG21 VAL 12 -5.923 6.760 -7.922 95 HG22 VAL 12 HG22 VAL 12 -6.354 5.052 -7.835 96 HG23 VAL 12 HG23 VAL 12 -7.612 6.285 -7.742 97 H LYS 13 H LYS 13 -5.198 8.487 -4.377 98 HA LYS 13 HA LYS 13 -5.076 7.362 -1.827 99 HB2 LYS 13 HB2 LYS 13 -3.179 8.541 -2.681 100 HB3 LYS 13 HB3 LYS 13 -4.108 10.022 -2.874 101 HG2 LYS 13 HG2 LYS 13 -4.194 9.143 -0.141 102 HG3 LYS 13 HG3 LYS 13 -2.524 9.271 -0.700 103 HD2 LYS 13 HD2 LYS 13 -2.969 11.557 -1.472 104 HD3 LYS 13 HD3 LYS 13 -4.631 11.426 -0.892 105 HE2 LYS 13 HE2 LYS 13 -3.918 11.277 1.368 106 HE3 LYS 13 HE3 LYS 13 -2.234 11.058 0.892 107 HZ1 LYS 13 HZ1 LYS 13 -3.361 13.483 -0.130 108 HZ2 LYS 13 HZ2 LYS 13 -3.411 13.419 1.560 109 HZ3 LYS 13 HZ3 LYS 13 -1.936 13.244 0.749 110 H GLU 14 H GLU 14 -6.498 10.470 -2.834 111 HA GLU 14 HA GLU 14 -7.443 11.264 -0.332 112 HB2 GLU 14 HB2 GLU 14 -8.366 11.865 -3.133 113 HB3 GLU 14 HB3 GLU 14 -9.173 12.555 -1.732 114 HG2 GLU 14 HG2 GLU 14 -6.933 13.457 -1.026 115 HG3 GLU 14 HG3 GLU 14 -6.330 12.965 -2.608 116 H GLU 15 H GLU 15 -8.901 9.193 -2.785 117 HA GLU 15 HA GLU 15 -11.437 8.976 -1.522 118 HB2 GLU 15 HB2 GLU 15 -11.619 8.351 -3.713 119 HB3 GLU 15 HB3 GLU 15 -10.025 7.612 -3.748 120 HG2 GLU 15 HG2 GLU 15 -11.813 5.971 -4.027 121 HG3 GLU 15 HG3 GLU 15 -10.857 5.671 -2.576 122 H VAL 16 H VAL 16 -8.480 7.046 -1.418 123 HA VAL 16 HA VAL 16 -9.547 4.940 0.158 124 HB VAL 16 HB VAL 16 -6.677 5.828 -0.164 125 HG11 VAL 16 HG11 VAL 16 -6.983 4.477 1.842 126 HG12 VAL 16 HG12 VAL 16 -7.805 3.237 0.894 127 HG13 VAL 16 HG13 VAL 16 -6.098 3.578 0.609 128 HG21 VAL 16 HG21 VAL 16 -8.398 4.755 -2.052 129 HG22 VAL 16 HG22 VAL 16 -6.637 4.781 -2.133 130 HG23 VAL 16 HG23 VAL 16 -7.470 3.369 -1.480 131 H ARG 17 H ARG 17 -7.508 7.742 0.988 132 HA ARG 17 HA ARG 17 -7.375 7.266 3.741 133 HB2 ARG 17 HB2 ARG 17 -6.623 9.532 3.960 134 HB3 ARG 17 HB3 ARG 17 -5.963 8.886 2.464 135 HG2 ARG 17 HG2 ARG 17 -7.741 10.031 1.209 136 HG3 ARG 17 HG3 ARG 17 -8.337 10.719 2.721 137 HD2 ARG 17 HD2 ARG 17 -5.786 11.472 2.905 138 HD3 ARG 17 HD3 ARG 17 -5.913 11.381 1.149 139 HE ARG 17 HE ARG 17 -7.139 13.300 1.200 140 HH11 ARG 17 HH11 ARG 17 -7.268 11.820 4.349 141 HH12 ARG 17 HH12 ARG 17 -8.142 13.130 5.073 142 HH21 ARG 17 HH21 ARG 17 -8.290 15.030 2.142 143 HH22 ARG 17 HH22 ARG 17 -8.723 14.955 3.817 144 H LYS 18 H LYS 18 -9.840 8.773 1.775 145 HA LYS 18 HA LYS 18 -11.286 9.952 3.933 146 HB2 LYS 18 HB2 LYS 18 -11.497 10.764 1.625 147 HB3 LYS 18 HB3 LYS 18 -12.199 9.226 1.142 148 HG2 LYS 18 HG2 LYS 18 -14.226 9.774 1.907 149 HG3 LYS 18 HG3 LYS 18 -13.580 10.519 3.371 150 HD2 LYS 18 HD2 LYS 18 -13.406 11.829 0.668 151 HD3 LYS 18 HD3 LYS 18 -14.780 12.061 1.752 152 HE2 LYS 18 HE2 LYS 18 -13.170 12.825 3.500 153 HE3 LYS 18 HE3 LYS 18 -11.894 12.748 2.287 154 HZ1 LYS 18 HZ1 LYS 18 -14.069 14.667 2.575 155 HZ2 LYS 18 HZ2 LYS 18 -12.481 14.902 2.043 156 HZ3 LYS 18 HZ3 LYS 18 -13.635 14.244 0.996 157 H LYS 19 H LYS 19 -11.449 6.880 2.218 158 HA LYS 19 HA LYS 19 -13.861 5.995 3.447 159 HB2 LYS 19 HB2 LYS 19 -12.562 5.157 1.292 160 HB3 LYS 19 HB3 LYS 19 -11.832 4.050 2.447 161 HG2 LYS 19 HG2 LYS 19 -14.009 3.191 3.054 162 HG3 LYS 19 HG3 LYS 19 -14.793 4.358 1.986 163 HD2 LYS 19 HD2 LYS 19 -12.789 2.870 0.553 164 HD3 LYS 19 HD3 LYS 19 -13.922 1.773 1.345 165 HE2 LYS 19 HE2 LYS 19 -15.037 4.114 -0.101 166 HE3 LYS 19 HE3 LYS 19 -14.382 2.791 -1.064 167 HZ1 LYS 19 HZ1 LYS 19 -16.832 2.927 0.380 168 HZ2 LYS 19 HZ2 LYS 19 -16.330 1.797 -0.775 169 HZ3 LYS 19 HZ3 LYS 19 -15.923 1.581 0.853 170 H PHE 20 H PHE 20 -10.425 5.514 4.130 171 HA PHE 20 HA PHE 20 -11.143 4.678 6.840 172 HB2 PHE 20 HB2 PHE 20 -9.113 3.195 5.160 173 HB3 PHE 20 HB3 PHE 20 -9.591 2.814 6.811 174 HD1 PHE 20 HD1 PHE 20 -10.400 2.484 3.303 175 HD2 PHE 20 HD2 PHE 20 -11.850 1.917 7.264 176 HE1 PHE 20 HE1 PHE 20 -12.161 0.997 2.441 177 HE2 PHE 20 HE2 PHE 20 -13.612 0.428 6.409 178 HZ PHE 20 HZ PHE 20 -13.768 -0.035 3.995 179 HA PRO 21 HA PRO 21 -7.821 7.890 6.782 180 HB2 PRO 21 HB2 PRO 21 -8.859 9.315 8.846 181 HB3 PRO 21 HB3 PRO 21 -9.364 9.546 7.169 182 HG2 PRO 21 HG2 PRO 21 -10.694 7.982 9.347 183 HG3 PRO 21 HG3 PRO 21 -11.419 9.068 8.147 184 HD2 PRO 21 HD2 PRO 21 -11.464 6.373 7.889 185 HD3 PRO 21 HD3 PRO 21 -11.385 7.465 6.491 186 H GLN 22 H GLN 22 -9.259 5.930 9.305 187 HA GLN 22 HA GLN 22 -7.268 6.400 11.278 188 HB2 GLN 22 HB2 GLN 22 -9.404 4.329 10.899 189 HB3 GLN 22 HB3 GLN 22 -8.208 4.144 12.174 190 HG2 GLN 22 HG2 GLN 22 -8.868 6.320 13.092 191 HG3 GLN 22 HG3 GLN 22 -10.092 6.466 11.831 192 HE21 GLN 22 HE21 GLN 22 -12.052 5.770 12.296 193 HE22 GLN 22 HE22 GLN 22 -12.470 4.696 13.583 194 H VAL 23 H VAL 23 -7.483 4.318 8.520 195 HA VAL 23 HA VAL 23 -5.352 2.563 9.376 196 HB VAL 23 HB VAL 23 -7.360 2.083 7.724 197 HG11 VAL 23 HG11 VAL 23 -5.303 2.523 5.633 198 HG12 VAL 23 HG12 VAL 23 -7.062 2.537 5.513 199 HG13 VAL 23 HG13 VAL 23 -6.213 3.924 6.197 200 HG21 VAL 23 HG21 VAL 23 -4.944 0.835 8.364 201 HG22 VAL 23 HG22 VAL 23 -6.370 0.093 7.638 202 HG23 VAL 23 HG23 VAL 23 -5.082 0.718 6.609 203 H GLU 24 H GLU 24 -3.496 2.206 7.777 204 HA GLU 24 HA GLU 24 -2.132 4.734 7.471 205 HB2 GLU 24 HB2 GLU 24 -1.366 2.031 7.873 206 HB3 GLU 24 HB3 GLU 24 -0.644 2.558 6.359 207 HG2 GLU 24 HG2 GLU 24 0.868 2.934 8.208 208 HG3 GLU 24 HG3 GLU 24 0.364 4.466 7.497 209 H VAL 25 H VAL 25 -1.871 5.853 5.645 210 HA VAL 25 HA VAL 25 -2.402 4.522 3.077 211 HB VAL 25 HB VAL 25 -4.418 5.753 3.619 212 HG11 VAL 25 HG11 VAL 25 -4.480 8.062 4.133 213 HG12 VAL 25 HG12 VAL 25 -3.236 7.360 5.169 214 HG13 VAL 25 HG13 VAL 25 -2.775 8.271 3.731 215 HG21 VAL 25 HG21 VAL 25 -3.497 7.687 1.687 216 HG22 VAL 25 HG22 VAL 25 -2.894 6.075 1.304 217 HG23 VAL 25 HG23 VAL 25 -4.627 6.348 1.484 218 H ARG 26 H ARG 26 -0.786 4.783 1.692 219 HA ARG 26 HA ARG 26 0.759 7.267 1.723 220 HB2 ARG 26 HB2 ARG 26 2.013 4.518 1.809 221 HB3 ARG 26 HB3 ARG 26 2.883 6.033 1.615 222 HG2 ARG 26 HG2 ARG 26 1.169 5.465 4.012 223 HG3 ARG 26 HG3 ARG 26 2.871 5.003 3.927 224 HD2 ARG 26 HD2 ARG 26 3.544 7.090 4.336 225 HD3 ARG 26 HD3 ARG 26 2.457 7.751 3.115 226 HE ARG 26 HE ARG 26 0.879 7.106 5.286 227 HH11 ARG 26 HH11 ARG 26 3.568 9.215 4.623 228 HH12 ARG 26 HH12 ARG 26 3.108 10.390 5.811 229 HH21 ARG 26 HH21 ARG 26 0.264 8.645 6.853 230 HH22 ARG 26 HH22 ARG 26 1.228 10.063 7.079 231 H VAL 27 H VAL 27 0.775 8.051 -0.270 232 HA VAL 27 HA VAL 27 0.277 6.276 -2.529 233 HB VAL 27 HB VAL 27 -1.076 8.259 -2.488 234 HG11 VAL 27 HG11 VAL 27 -0.324 10.141 -1.585 235 HG12 VAL 27 HG12 VAL 27 1.312 9.487 -1.530 236 HG13 VAL 27 HG13 VAL 27 0.758 10.356 -2.961 237 HG21 VAL 27 HG21 VAL 27 0.414 7.458 -4.641 238 HG22 VAL 27 HG22 VAL 27 -0.927 8.601 -4.698 239 HG23 VAL 27 HG23 VAL 27 0.731 9.192 -4.588 240 H VAL 28 H VAL 28 1.807 5.629 -3.898 241 HA VAL 28 HA VAL 28 4.425 6.980 -3.798 242 HB VAL 28 HB VAL 28 5.496 4.903 -4.328 243 HG11 VAL 28 HG11 VAL 28 5.004 3.597 -2.353 244 HG12 VAL 28 HG12 VAL 28 4.916 5.315 -1.964 245 HG13 VAL 28 HG13 VAL 28 3.434 4.384 -2.188 246 HG21 VAL 28 HG21 VAL 28 2.713 3.991 -4.878 247 HG22 VAL 28 HG22 VAL 28 4.191 3.725 -5.802 248 HG23 VAL 28 HG23 VAL 28 3.901 2.811 -4.323 249 H THR 29 H THR 29 5.539 7.334 -5.724 250 HA THR 29 HA THR 29 3.995 6.907 -8.197 251 HB THR 29 HB THR 29 5.030 9.084 -9.011 252 HG1 THR 29 HG1 THR 29 6.188 10.213 -7.644 253 HG21 THR 29 HG21 THR 29 2.998 9.071 -6.782 254 HG22 THR 29 HG22 THR 29 3.348 10.488 -7.772 255 HG23 THR 29 HG23 THR 29 2.694 9.029 -8.519 256 H THR 30 H THR 30 7.149 7.258 -6.683 257 HA THR 30 HA THR 30 8.363 6.017 -9.067 258 HB THR 30 HB THR 30 10.300 7.345 -7.379 259 HG1 THR 30 HG1 THR 30 9.430 9.267 -7.192 260 HG21 THR 30 HG21 THR 30 9.461 7.480 -10.263 261 HG22 THR 30 HG22 THR 30 10.716 8.533 -9.609 262 HG23 THR 30 HG23 THR 30 10.927 6.782 -9.573 263 H GLU 31 H GLU 31 10.514 4.915 -8.472 264 HA GLU 31 HA GLU 31 9.942 2.852 -6.612 265 HB2 GLU 31 HB2 GLU 31 12.622 3.516 -7.837 266 HB3 GLU 31 HB3 GLU 31 12.115 1.968 -7.175 267 HG2 GLU 31 HG2 GLU 31 10.385 1.844 -8.954 268 HG3 GLU 31 HG3 GLU 31 11.069 3.308 -9.655 269 H GLU 32 H GLU 32 11.875 5.779 -6.472 270 HA GLU 32 HA GLU 32 13.179 5.161 -4.016 271 HB2 GLU 32 HB2 GLU 32 12.813 7.654 -5.642 272 HB3 GLU 32 HB3 GLU 32 13.482 7.755 -4.020 273 HG2 GLU 32 HG2 GLU 32 15.406 6.637 -4.593 274 HG3 GLU 32 HG3 GLU 32 14.653 5.825 -5.964 275 H ASP 33 H ASP 33 10.272 6.975 -4.878 276 HA ASP 33 HA ASP 33 9.693 8.035 -2.353 277 HB2 ASP 33 HB2 ASP 33 8.572 8.318 -4.772 278 HB3 ASP 33 HB3 ASP 33 7.421 7.184 -4.070 279 H ALA 34 H ALA 34 8.527 5.035 -3.874 280 HA ALA 34 HA ALA 34 6.983 4.143 -1.710 281 HB1 ALA 34 HB1 ALA 34 8.388 2.286 -3.602 282 HB2 ALA 34 HB2 ALA 34 6.814 2.095 -2.829 283 HB3 ALA 34 HB3 ALA 34 7.026 3.280 -4.117 284 H LYS 35 H LYS 35 10.382 3.599 -2.529 285 HA LYS 35 HA LYS 35 11.055 1.677 -0.670 286 HB2 LYS 35 HB2 LYS 35 12.527 2.711 -2.463 287 HB3 LYS 35 HB3 LYS 35 12.818 4.032 -1.340 288 HG2 LYS 35 HG2 LYS 35 14.579 2.812 -0.705 289 HG3 LYS 35 HG3 LYS 35 13.391 1.886 0.217 290 HD2 LYS 35 HD2 LYS 35 13.166 0.318 -1.650 291 HD3 LYS 35 HD3 LYS 35 14.348 1.248 -2.575 292 HE2 LYS 35 HE2 LYS 35 16.070 0.743 -0.968 293 HE3 LYS 35 HE3 LYS 35 14.904 -0.048 0.090 294 HZ1 LYS 35 HZ1 LYS 35 14.654 -1.817 -1.405 295 HZ2 LYS 35 HZ2 LYS 35 15.419 -0.990 -2.668 296 HZ3 LYS 35 HZ3 LYS 35 16.322 -1.539 -1.347 297 H GLN 36 H GLN 36 11.107 5.210 -0.223 298 HA GLN 36 HA GLN 36 11.857 5.100 2.507 299 HB2 GLN 36 HB2 GLN 36 10.918 7.180 0.621 300 HB3 GLN 36 HB3 GLN 36 10.657 7.508 2.329 301 HG2 GLN 36 HG2 GLN 36 13.347 6.589 1.470 302 HG3 GLN 36 HG3 GLN 36 12.862 8.242 1.091 303 HE21 GLN 36 HE21 GLN 36 13.169 9.730 2.591 304 HE22 GLN 36 HE22 GLN 36 13.482 9.432 4.263 305 H VAL 37 H VAL 37 8.799 4.954 0.843 306 HA VAL 37 HA VAL 37 7.134 5.531 3.070 307 HB VAL 37 HB VAL 37 6.547 4.009 0.528 308 HG11 VAL 37 HG11 VAL 37 4.160 4.456 1.101 309 HG12 VAL 37 HG12 VAL 37 4.959 3.311 2.179 310 HG13 VAL 37 HG13 VAL 37 4.693 4.975 2.700 311 HG21 VAL 37 HG21 VAL 37 6.944 6.755 1.038 312 HG22 VAL 37 HG22 VAL 37 6.376 5.996 -0.449 313 HG23 VAL 37 HG23 VAL 37 5.216 6.526 0.770 314 H VAL 38 H VAL 38 7.940 2.436 1.485 315 HA VAL 38 HA VAL 38 6.652 0.765 3.310 316 HB VAL 38 HB VAL 38 7.458 -0.048 1.157 317 HG11 VAL 38 HG11 VAL 38 9.543 1.228 1.056 318 HG12 VAL 38 HG12 VAL 38 10.223 0.219 2.332 319 HG13 VAL 38 HG13 VAL 38 9.823 -0.488 0.766 320 HG21 VAL 38 HG21 VAL 38 8.447 -2.181 1.921 321 HG22 VAL 38 HG22 VAL 38 8.681 -1.472 3.518 322 HG23 VAL 38 HG23 VAL 38 7.051 -1.693 2.881 323 H LYS 39 H LYS 39 9.864 2.195 3.382 324 HA LYS 39 HA LYS 39 10.873 0.688 5.552 325 HB2 LYS 39 HB2 LYS 39 12.022 2.349 3.814 326 HB3 LYS 39 HB3 LYS 39 11.789 3.491 5.133 327 HG2 LYS 39 HG2 LYS 39 13.011 1.951 6.630 328 HG3 LYS 39 HG3 LYS 39 13.318 0.899 5.247 329 HD2 LYS 39 HD2 LYS 39 14.713 2.465 4.216 330 HD3 LYS 39 HD3 LYS 39 14.092 3.798 5.193 331 HE2 LYS 39 HE2 LYS 39 15.166 2.862 7.170 332 HE3 LYS 39 HE3 LYS 39 15.751 1.496 6.222 333 HZ1 LYS 39 HZ1 LYS 39 17.538 2.977 6.355 334 HZ2 LYS 39 HZ2 LYS 39 16.906 3.225 4.805 335 HZ3 LYS 39 HZ3 LYS 39 16.575 4.332 6.041 336 H GLU 40 H GLU 40 9.108 3.738 5.352 337 HA GLU 40 HA GLU 40 9.358 4.511 8.038 338 HB2 GLU 40 HB2 GLU 40 7.970 5.417 5.731 339 HB3 GLU 40 HB3 GLU 40 6.797 5.295 7.035 340 HG2 GLU 40 HG2 GLU 40 7.638 7.055 8.116 341 HG3 GLU 40 HG3 GLU 40 9.305 6.558 7.830 342 H VAL 41 H VAL 41 6.694 2.786 6.415 343 HA VAL 41 HA VAL 41 5.249 2.290 8.806 344 HB VAL 41 HB VAL 41 4.306 2.257 6.457 345 HG11 VAL 41 HG11 VAL 41 4.421 0.182 5.208 346 HG12 VAL 41 HG12 VAL 41 6.045 0.815 5.475 347 HG13 VAL 41 HG13 VAL 41 5.454 -0.533 6.446 348 HG21 VAL 41 HG21 VAL 41 3.183 -0.187 7.271 349 HG22 VAL 41 HG22 VAL 41 3.652 0.658 8.747 350 HG23 VAL 41 HG23 VAL 41 2.576 1.439 7.587 351 H GLN 42 H GLN 42 7.762 0.566 7.094 352 HA GLN 42 HA GLN 42 7.477 -1.960 8.265 353 HB2 GLN 42 HB2 GLN 42 8.917 -1.706 6.375 354 HB3 GLN 42 HB3 GLN 42 9.906 -0.515 7.210 355 HG2 GLN 42 HG2 GLN 42 11.140 -2.072 8.231 356 HG3 GLN 42 HG3 GLN 42 9.745 -3.096 8.571 357 HE21 GLN 42 HE21 GLN 42 11.199 -4.842 8.017 358 HE22 GLN 42 HE22 GLN 42 11.421 -5.267 6.357 359 H LYS 43 H LYS 43 9.227 0.912 9.348 360 HA LYS 43 HA LYS 43 10.393 -0.343 11.627 361 HB2 LYS 43 HB2 LYS 43 10.626 2.134 10.318 362 HB3 LYS 43 HB3 LYS 43 10.079 2.508 11.947 363 HG2 LYS 43 HG2 LYS 43 11.957 1.378 12.907 364 HG3 LYS 43 HG3 LYS 43 12.456 0.769 11.327 365 HD2 LYS 43 HD2 LYS 43 12.758 3.136 10.593 366 HD3 LYS 43 HD3 LYS 43 12.435 3.639 12.254 367 HE2 LYS 43 HE2 LYS 43 14.564 3.290 12.776 368 HE3 LYS 43 HE3 LYS 43 14.402 1.594 12.322 369 HZ1 LYS 43 HZ1 LYS 43 15.487 3.835 10.787 370 HZ2 LYS 43 HZ2 LYS 43 16.022 2.233 10.886 371 HZ3 LYS 43 HZ3 LYS 43 14.679 2.619 9.932 372 H LYS 44 H LYS 44 7.429 1.438 11.026 373 HA LYS 44 HA LYS 44 6.692 1.786 13.745 374 HB2 LYS 44 HB2 LYS 44 5.456 2.188 11.111 375 HB3 LYS 44 HB3 LYS 44 4.314 1.778 12.384 376 HG2 LYS 44 HG2 LYS 44 4.778 3.693 13.597 377 HG3 LYS 44 HG3 LYS 44 6.338 3.935 12.809 378 HD2 LYS 44 HD2 LYS 44 4.871 4.213 10.659 379 HD3 LYS 44 HD3 LYS 44 3.589 4.562 11.820 380 HE2 LYS 44 HE2 LYS 44 6.255 5.961 11.827 381 HE3 LYS 44 HE3 LYS 44 4.851 6.562 10.946 382 HZ1 LYS 44 HZ1 LYS 44 4.468 7.641 12.861 383 HZ2 LYS 44 HZ2 LYS 44 3.805 6.168 13.366 384 HZ3 LYS 44 HZ3 LYS 44 5.391 6.573 13.793 385 H GLY 45 H GLY 45 6.199 -0.774 11.394 386 HA2 GLY 45 HA2 GLY 45 6.046 -3.025 12.486 387 HA3 GLY 45 HA3 GLY 45 4.777 -2.318 13.476 388 H VAL 46 H VAL 46 5.601 -2.699 10.026 389 HA VAL 46 HA VAL 46 2.775 -2.842 9.354 390 HB VAL 46 HB VAL 46 4.443 -1.581 7.946 391 HG11 VAL 46 HG11 VAL 46 6.007 -2.664 6.615 392 HG12 VAL 46 HG12 VAL 46 6.121 -3.538 8.142 393 HG13 VAL 46 HG13 VAL 46 5.222 -4.232 6.794 394 HG21 VAL 46 HG21 VAL 46 2.166 -2.477 7.209 395 HG22 VAL 46 HG22 VAL 46 3.312 -2.039 5.943 396 HG23 VAL 46 HG23 VAL 46 3.071 -3.734 6.365 397 H GLN 47 H GLN 47 1.901 -4.593 8.081 398 HA GLN 47 HA GLN 47 3.319 -7.148 8.410 399 HB2 GLN 47 HB2 GLN 47 0.509 -6.458 9.209 400 HB3 GLN 47 HB3 GLN 47 0.937 -8.110 8.787 401 HG2 GLN 47 HG2 GLN 47 2.604 -6.676 10.786 402 HG3 GLN 47 HG3 GLN 47 1.013 -7.264 11.269 403 HE21 GLN 47 HE21 GLN 47 0.607 -9.495 11.240 404 HE22 GLN 47 HE22 GLN 47 1.893 -10.647 11.258 405 H LYS 48 H LYS 48 0.854 -5.301 6.701 406 HA LYS 48 HA LYS 48 1.204 -7.106 4.399 407 HB2 LYS 48 HB2 LYS 48 -1.281 -5.918 5.567 408 HB3 LYS 48 HB3 LYS 48 -1.205 -6.207 3.833 409 HG2 LYS 48 HG2 LYS 48 -2.120 -8.173 4.521 410 HG3 LYS 48 HG3 LYS 48 -0.408 -8.595 4.608 411 HD2 LYS 48 HD2 LYS 48 -0.391 -8.119 6.993 412 HD3 LYS 48 HD3 LYS 48 -2.083 -7.620 6.923 413 HE2 LYS 48 HE2 LYS 48 -2.830 -9.738 6.927 414 HE3 LYS 48 HE3 LYS 48 -1.567 -10.286 5.825 415 HZ1 LYS 48 HZ1 LYS 48 -0.019 -10.274 7.720 416 HZ2 LYS 48 HZ2 LYS 48 -1.295 -9.863 8.752 417 HZ3 LYS 48 HZ3 LYS 48 -1.306 -11.350 7.946 418 H VAL 49 H VAL 49 0.700 -6.052 2.291 419 HA VAL 49 HA VAL 49 0.975 -3.157 2.234 420 HB VAL 49 HB VAL 49 3.001 -4.957 0.894 421 HG11 VAL 49 HG11 VAL 49 2.458 -2.013 0.716 422 HG12 VAL 49 HG12 VAL 49 4.067 -2.668 0.405 423 HG13 VAL 49 HG13 VAL 49 2.700 -3.180 -0.584 424 HG21 VAL 49 HG21 VAL 49 4.589 -3.612 2.361 425 HG22 VAL 49 HG22 VAL 49 3.159 -3.119 3.267 426 HG23 VAL 49 HG23 VAL 49 3.595 -4.825 3.168 427 H VAL 50 H VAL 50 -0.594 -2.544 0.908 428 HA VAL 50 HA VAL 50 -1.114 -4.160 -1.503 429 HB VAL 50 HB VAL 50 -3.048 -2.396 0.006 430 HG11 VAL 50 HG11 VAL 50 -4.719 -3.475 -1.546 431 HG12 VAL 50 HG12 VAL 50 -3.628 -2.306 -2.290 432 HG13 VAL 50 HG13 VAL 50 -3.345 -4.034 -2.501 433 HG21 VAL 50 HG21 VAL 50 -2.222 -4.972 0.604 434 HG22 VAL 50 HG22 VAL 50 -3.692 -4.182 1.175 435 HG23 VAL 50 HG23 VAL 50 -3.739 -5.198 -0.265 436 H VAL 51 H VAL 51 -1.338 -3.135 -3.468 437 HA VAL 51 HA VAL 51 -0.902 -0.227 -3.527 438 HB VAL 51 HB VAL 51 0.627 -0.472 -5.429 439 HG11 VAL 51 HG11 VAL 51 2.310 -0.451 -3.976 440 HG12 VAL 51 HG12 VAL 51 1.179 -0.994 -2.736 441 HG13 VAL 51 HG13 VAL 51 2.117 -2.174 -3.652 442 HG21 VAL 51 HG21 VAL 51 1.446 -3.156 -5.209 443 HG22 VAL 51 HG22 VAL 51 -0.311 -3.177 -5.361 444 HG23 VAL 51 HG23 VAL 51 0.672 -2.370 -6.584 445 H VAL 52 H VAL 52 -1.811 0.866 -5.275 446 HA VAL 52 HA VAL 52 -3.661 -0.730 -6.926 447 HB VAL 52 HB VAL 52 -4.151 2.144 -6.184 448 HG11 VAL 52 HG11 VAL 52 -6.348 1.768 -6.919 449 HG12 VAL 52 HG12 VAL 52 -5.329 0.968 -8.116 450 HG13 VAL 52 HG13 VAL 52 -6.152 0.015 -6.880 451 HG21 VAL 52 HG21 VAL 52 -4.483 1.519 -4.069 452 HG22 VAL 52 HG22 VAL 52 -5.889 0.627 -4.654 453 HG23 VAL 52 HG23 VAL 52 -4.337 -0.192 -4.474 454 H GLY 53 H GLY 53 -3.443 -0.556 -9.067 455 HA2 GLY 53 HA2 GLY 53 -2.736 0.174 -11.125 456 HA3 GLY 53 HA3 GLY 53 -2.780 1.797 -10.454 457 H VAL 54 H VAL 54 -0.782 -0.363 -8.746 458 HA VAL 54 HA VAL 54 1.587 0.964 -9.856 459 HB VAL 54 HB VAL 54 1.387 -0.674 -7.327 460 HG11 VAL 54 HG11 VAL 54 3.531 1.064 -8.514 461 HG12 VAL 54 HG12 VAL 54 3.496 0.650 -6.800 462 HG13 VAL 54 HG13 VAL 54 3.636 -0.624 -8.012 463 HG21 VAL 54 HG21 VAL 54 1.552 1.637 -6.246 464 HG22 VAL 54 HG22 VAL 54 1.055 2.270 -7.815 465 HG23 VAL 54 HG23 VAL 54 -0.005 1.172 -6.932 466 H SER 55 H SER 55 3.302 -0.152 -10.698 467 HA SER 55 HA SER 55 2.836 -2.583 -11.979 468 HB2 SER 55 HB2 SER 55 5.664 -2.073 -11.393 469 HB3 SER 55 HB3 SER 55 4.839 -2.199 -12.947 470 HG SER 55 HG SER 55 4.099 -0.039 -12.607 471 H GLU 56 H GLU 56 3.117 -4.675 -11.449 472 HA GLU 56 HA GLU 56 3.381 -5.392 -8.713 473 HB2 GLU 56 HB2 GLU 56 3.233 -7.700 -9.503 474 HB3 GLU 56 HB3 GLU 56 2.015 -6.694 -10.274 475 HG2 GLU 56 HG2 GLU 56 3.889 -6.481 -12.127 476 HG3 GLU 56 HG3 GLU 56 4.396 -8.021 -11.435 477 H LYS 57 H LYS 57 5.556 -5.464 -11.480 478 HA LYS 57 HA LYS 57 7.624 -6.985 -10.373 479 HB2 LYS 57 HB2 LYS 57 9.035 -6.058 -12.083 480 HB3 LYS 57 HB3 LYS 57 7.436 -6.313 -12.769 481 HG2 LYS 57 HG2 LYS 57 7.008 -3.854 -12.231 482 HG3 LYS 57 HG3 LYS 57 8.754 -3.733 -12.002 483 HD2 LYS 57 HD2 LYS 57 8.623 -3.194 -14.218 484 HD3 LYS 57 HD3 LYS 57 8.781 -4.947 -14.354 485 HE2 LYS 57 HE2 LYS 57 6.604 -5.230 -14.982 486 HE3 LYS 57 HE3 LYS 57 6.048 -3.815 -14.090 487 HZ1 LYS 57 HZ1 LYS 57 6.914 -2.388 -15.772 488 HZ2 LYS 57 HZ2 LYS 57 7.658 -3.675 -16.579 489 HZ3 LYS 57 HZ3 LYS 57 5.970 -3.564 -16.538 490 H VAL 58 H VAL 58 6.797 -3.598 -10.008 491 HA VAL 58 HA VAL 58 9.231 -2.829 -8.734 492 HB VAL 58 HB VAL 58 6.521 -1.496 -8.656 493 HG11 VAL 58 HG11 VAL 58 7.938 0.543 -8.137 494 HG12 VAL 58 HG12 VAL 58 7.759 -0.640 -6.841 495 HG13 VAL 58 HG13 VAL 58 9.249 -0.583 -7.783 496 HG21 VAL 58 HG21 VAL 58 7.631 -1.830 -10.917 497 HG22 VAL 58 HG22 VAL 58 7.216 -0.172 -10.480 498 HG23 VAL 58 HG23 VAL 58 8.885 -0.728 -10.349 499 H VAL 59 H VAL 59 5.933 -3.322 -7.462 500 HA VAL 59 HA VAL 59 6.630 -3.096 -4.750 501 HB VAL 59 HB VAL 59 4.483 -4.236 -4.283 502 HG11 VAL 59 HG11 VAL 59 3.931 -2.065 -4.474 503 HG12 VAL 59 HG12 VAL 59 4.802 -1.874 -5.996 504 HG13 VAL 59 HG13 VAL 59 3.182 -2.572 -5.988 505 HG21 VAL 59 HG21 VAL 59 3.043 -4.692 -6.347 506 HG22 VAL 59 HG22 VAL 59 4.560 -4.712 -7.247 507 HG23 VAL 59 HG23 VAL 59 4.289 -5.874 -5.948 508 H GLN 60 H GLN 60 6.538 -5.859 -6.930 509 HA GLN 60 HA GLN 60 6.792 -7.919 -5.070 510 HB2 GLN 60 HB2 GLN 60 6.308 -8.348 -7.415 511 HB3 GLN 60 HB3 GLN 60 7.889 -7.733 -7.881 512 HG2 GLN 60 HG2 GLN 60 9.000 -9.586 -7.020 513 HG3 GLN 60 HG3 GLN 60 7.628 -10.062 -6.021 514 HE21 GLN 60 HE21 GLN 60 8.173 -12.154 -7.075 515 HE22 GLN 60 HE22 GLN 60 7.411 -12.511 -8.584 516 H LYS 61 H LYS 61 9.339 -6.130 -6.794 517 HA LYS 61 HA LYS 61 11.540 -7.434 -5.695 518 HB2 LYS 61 HB2 LYS 61 11.413 -5.668 -7.585 519 HB3 LYS 61 HB3 LYS 61 11.559 -4.487 -6.290 520 HG2 LYS 61 HG2 LYS 61 13.755 -4.710 -6.416 521 HG3 LYS 61 HG3 LYS 61 13.580 -6.366 -5.829 522 HD2 LYS 61 HD2 LYS 61 13.149 -7.014 -8.250 523 HD3 LYS 61 HD3 LYS 61 13.722 -5.399 -8.675 524 HE2 LYS 61 HE2 LYS 61 15.753 -6.336 -8.731 525 HE3 LYS 61 HE3 LYS 61 15.674 -6.277 -6.971 526 HZ1 LYS 61 HZ1 LYS 61 16.065 -8.467 -7.176 527 HZ2 LYS 61 HZ2 LYS 61 14.398 -8.563 -7.453 528 HZ3 LYS 61 HZ3 LYS 61 15.473 -8.554 -8.760 529 H VAL 62 H VAL 62 10.305 -4.237 -4.692 530 HA VAL 62 HA VAL 62 11.804 -3.951 -2.392 531 HB VAL 62 HB VAL 62 8.972 -2.993 -2.829 532 HG11 VAL 62 HG11 VAL 62 11.002 -2.467 -0.722 533 HG12 VAL 62 HG12 VAL 62 9.987 -1.127 -1.257 534 HG13 VAL 62 HG13 VAL 62 9.246 -2.587 -0.598 535 HG21 VAL 62 HG21 VAL 62 9.908 -1.791 -4.466 536 HG22 VAL 62 HG22 VAL 62 10.662 -0.855 -3.174 537 HG23 VAL 62 HG23 VAL 62 11.545 -2.179 -3.935 538 H LYS 63 H LYS 63 8.615 -5.468 -2.755 539 HA LYS 63 HA LYS 63 8.039 -6.018 -0.113 540 HB2 LYS 63 HB2 LYS 63 6.367 -6.477 -1.720 541 HB3 LYS 63 HB3 LYS 63 7.429 -7.534 -2.642 542 HG2 LYS 63 HG2 LYS 63 7.034 -8.452 0.086 543 HG3 LYS 63 HG3 LYS 63 5.527 -8.325 -0.822 544 HD2 LYS 63 HD2 LYS 63 6.490 -9.694 -2.609 545 HD3 LYS 63 HD3 LYS 63 8.000 -9.815 -1.703 546 HE2 LYS 63 HE2 LYS 63 7.136 -11.286 -0.194 547 HE3 LYS 63 HE3 LYS 63 5.507 -10.619 -0.313 548 HZ1 LYS 63 HZ1 LYS 63 5.264 -11.695 -2.464 549 HZ2 LYS 63 HZ2 LYS 63 6.823 -12.342 -2.343 550 HZ3 LYS 63 HZ3 LYS 63 5.618 -12.832 -1.262 551 H GLN 64 H GLN 64 10.046 -7.879 -2.359 552 HA GLN 64 HA GLN 64 10.535 -10.075 -0.684 553 HB2 GLN 64 HB2 GLN 64 11.740 -8.941 -3.127 554 HB3 GLN 64 HB3 GLN 64 12.813 -9.941 -2.157 555 HG2 GLN 64 HG2 GLN 64 11.106 -11.741 -2.229 556 HG3 GLN 64 HG3 GLN 64 10.164 -10.743 -3.335 557 HE21 GLN 64 HE21 GLN 64 11.047 -10.266 -5.401 558 HE22 GLN 64 HE22 GLN 64 12.222 -11.309 -6.119 559 H GLU 65 H GLU 65 12.339 -7.052 -1.134 560 HA GLU 65 HA GLU 65 14.279 -7.759 0.879 561 HB2 GLU 65 HB2 GLU 65 13.830 -5.442 -0.941 562 HB3 GLU 65 HB3 GLU 65 14.799 -5.180 0.503 563 HG2 GLU 65 HG2 GLU 65 15.877 -7.479 -0.503 564 HG3 GLU 65 HG3 GLU 65 15.447 -6.592 -1.964 565 H ALA 66 H ALA 66 11.153 -6.819 1.066 566 HA ALA 66 HA ALA 66 11.520 -5.112 3.423 567 HB1 ALA 66 HB1 ALA 66 8.919 -4.994 3.160 568 HB2 ALA 66 HB2 ALA 66 9.969 -4.055 2.098 569 HB3 ALA 66 HB3 ALA 66 9.264 -5.568 1.527 570 H ASN 67 H ASN 67 10.536 -8.281 2.450 571 HA ASN 67 HA ASN 67 10.025 -10.150 3.644 572 HB2 ASN 67 HB2 ASN 67 11.829 -9.057 5.192 573 HB3 ASN 67 HB3 ASN 67 10.455 -8.693 6.231 574 HD21 ASN 67 HD21 ASN 67 9.632 -10.252 7.485 575 HD22 ASN 67 HD22 ASN 67 10.169 -11.895 7.494 576 H VAL 68 H VAL 68 7.916 -8.726 2.779 577 HA VAL 68 HA VAL 68 5.942 -9.226 4.871 578 HB VAL 68 HB VAL 68 4.751 -7.107 4.369 579 HG11 VAL 68 HG11 VAL 68 7.557 -6.802 5.435 580 HG12 VAL 68 HG12 VAL 68 6.240 -5.653 5.679 581 HG13 VAL 68 HG13 VAL 68 6.131 -7.277 6.358 582 HG21 VAL 68 HG21 VAL 68 5.574 -6.527 2.223 583 HG22 VAL 68 HG22 VAL 68 6.145 -5.277 3.328 584 HG23 VAL 68 HG23 VAL 68 7.246 -6.542 2.783 585 H GLN 69 H GLN 69 3.656 -8.903 3.896 586 HA GLN 69 HA GLN 69 3.606 -10.411 1.409 587 HB2 GLN 69 HB2 GLN 69 1.791 -10.003 3.681 588 HB3 GLN 69 HB3 GLN 69 0.983 -10.044 2.120 589 HG2 GLN 69 HG2 GLN 69 2.956 -12.164 2.846 590 HG3 GLN 69 HG3 GLN 69 1.305 -12.232 3.459 591 HE21 GLN 69 HE21 GLN 69 0.682 -14.014 2.322 592 HE22 GLN 69 HE22 GLN 69 0.518 -14.041 0.604 593 H VAL 70 H VAL 70 3.089 -9.597 -0.521 594 HA VAL 70 HA VAL 70 2.144 -6.809 -0.627 595 HB VAL 70 HB VAL 70 4.302 -7.014 -1.660 596 HG11 VAL 70 HG11 VAL 70 3.094 -9.235 -3.305 597 HG12 VAL 70 HG12 VAL 70 4.690 -8.533 -3.564 598 HG13 VAL 70 HG13 VAL 70 4.342 -9.398 -2.068 599 HG21 VAL 70 HG21 VAL 70 2.348 -6.966 -3.944 600 HG22 VAL 70 HG22 VAL 70 2.456 -5.657 -2.766 601 HG23 VAL 70 HG23 VAL 70 3.852 -6.061 -3.765 602 H TYR 71 H TYR 71 0.321 -6.304 -1.719 603 HA TYR 71 HA TYR 71 -0.980 -8.401 -3.312 604 HB2 TYR 71 HB2 TYR 71 -2.337 -6.697 -1.213 605 HB3 TYR 71 HB3 TYR 71 -3.157 -7.803 -2.308 606 HD1 TYR 71 HD1 TYR 71 -2.581 -7.575 0.921 607 HD2 TYR 71 HD2 TYR 71 -1.453 -10.168 -2.259 608 HE1 TYR 71 HE1 TYR 71 -2.258 -9.403 2.534 609 HE2 TYR 71 HE2 TYR 71 -1.128 -12.003 -0.654 610 HH TYR 71 HH TYR 71 -1.576 -11.497 2.831 611 H ARG 72 H ARG 72 -2.223 -7.687 -5.031 612 HA ARG 72 HA ARG 72 -1.976 -4.815 -5.642 613 HB2 ARG 72 HB2 ARG 72 -1.174 -7.082 -7.126 614 HB3 ARG 72 HB3 ARG 72 -2.559 -6.398 -7.967 615 HG2 ARG 72 HG2 ARG 72 -1.482 -4.324 -8.269 616 HG3 ARG 72 HG3 ARG 72 -0.209 -4.735 -7.117 617 HD2 ARG 72 HD2 ARG 72 1.010 -5.709 -8.704 618 HD3 ARG 72 HD3 ARG 72 -0.358 -6.692 -9.228 619 HE ARG 72 HE ARG 72 0.631 -4.323 -10.476 620 HH11 ARG 72 HH11 ARG 72 -2.244 -6.196 -9.886 621 HH12 ARG 72 HH12 ARG 72 -3.068 -5.616 -11.296 622 HH21 ARG 72 HH21 ARG 72 -0.443 -3.554 -12.335 623 HH22 ARG 72 HH22 ARG 72 -2.043 -4.114 -12.689 624 H VAL 73 H VAL 73 -3.721 -3.769 -6.684 625 HA VAL 73 HA VAL 73 -6.265 -5.205 -6.802 626 HB VAL 73 HB VAL 73 -7.404 -3.291 -5.639 627 HG11 VAL 73 HG11 VAL 73 -7.258 -4.316 -3.589 628 HG12 VAL 73 HG12 VAL 73 -6.594 -5.572 -4.632 629 HG13 VAL 73 HG13 VAL 73 -5.513 -4.535 -3.701 630 HG21 VAL 73 HG21 VAL 73 -4.951 -2.068 -5.836 631 HG22 VAL 73 HG22 VAL 73 -6.289 -1.534 -4.818 632 HG23 VAL 73 HG23 VAL 73 -5.016 -2.549 -4.141 633 H THR 74 H THR 74 -7.739 -4.362 -8.255 634 HA THR 74 HA THR 74 -6.728 -2.170 -9.945 635 HB THR 74 HB THR 74 -8.783 -3.909 -11.121 636 HG1 THR 74 HG1 THR 74 -7.736 -5.743 -10.954 637 HG21 THR 74 HG21 THR 74 -6.062 -2.981 -12.050 638 HG22 THR 74 HG22 THR 74 -7.268 -3.793 -13.049 639 HG23 THR 74 HG23 THR 74 -7.600 -2.189 -12.394 640 H SER 75 H SER 75 -9.477 -3.474 -8.231 641 HA SER 75 HA SER 75 -11.068 -1.122 -9.009 642 HB2 SER 75 HB2 SER 75 -11.953 -3.494 -9.452 643 HB3 SER 75 HB3 SER 75 -12.173 -3.605 -7.705 644 HG SER 75 HG SER 75 -14.056 -2.861 -8.812 645 H ASN 76 H ASN 76 -12.544 -0.291 -7.292 646 HA ASN 76 HA ASN 76 -11.040 0.344 -4.961 647 HB2 ASN 76 HB2 ASN 76 -13.333 1.360 -6.284 648 HB3 ASN 76 HB3 ASN 76 -13.811 1.000 -4.628 649 HD21 ASN 76 HD21 ASN 76 -12.803 3.396 -6.504 650 HD22 ASN 76 HD22 ASN 76 -11.921 4.353 -5.367 651 H ASP 77 H ASP 77 -13.602 -1.922 -5.688 652 HA ASP 77 HA ASP 77 -14.431 -2.539 -3.086 653 HB2 ASP 77 HB2 ASP 77 -15.576 -3.262 -5.188 654 HB3 ASP 77 HB3 ASP 77 -14.292 -4.444 -5.430 655 H GLU 78 H GLU 78 -11.587 -3.441 -4.860 656 HA GLU 78 HA GLU 78 -10.876 -5.639 -3.153 657 HB2 GLU 78 HB2 GLU 78 -9.127 -4.096 -5.075 658 HB3 GLU 78 HB3 GLU 78 -8.786 -5.678 -4.387 659 HG2 GLU 78 HG2 GLU 78 -11.325 -5.743 -5.693 660 HG3 GLU 78 HG3 GLU 78 -10.115 -5.077 -6.787 661 H VAL 79 H VAL 79 -10.247 -2.208 -3.260 662 HA VAL 79 HA VAL 79 -8.048 -2.174 -1.471 663 HB VAL 79 HB VAL 79 -10.045 0.010 -2.079 664 HG11 VAL 79 HG11 VAL 79 -7.501 1.030 -1.380 665 HG12 VAL 79 HG12 VAL 79 -9.031 1.225 -0.525 666 HG13 VAL 79 HG13 VAL 79 -7.969 -0.129 -0.136 667 HG21 VAL 79 HG21 VAL 79 -7.384 -0.696 -3.304 668 HG22 VAL 79 HG22 VAL 79 -8.959 -0.647 -4.098 669 HG23 VAL 79 HG23 VAL 79 -8.199 0.848 -3.555 670 H GLU 80 H GLU 80 -11.509 -1.477 -0.980 671 HA GLU 80 HA GLU 80 -11.275 -1.161 1.832 672 HB2 GLU 80 HB2 GLU 80 -13.657 -1.044 1.867 673 HB3 GLU 80 HB3 GLU 80 -13.122 -0.236 0.400 674 HG2 GLU 80 HG2 GLU 80 -13.591 -2.362 -0.834 675 HG3 GLU 80 HG3 GLU 80 -14.331 -2.976 0.644 676 H GLN 81 H GLN 81 -11.863 -3.891 -0.267 677 HA GLN 81 HA GLN 81 -12.825 -5.683 1.699 678 HB2 GLN 81 HB2 GLN 81 -13.174 -6.145 -0.647 679 HB3 GLN 81 HB3 GLN 81 -11.440 -6.186 -0.938 680 HG2 GLN 81 HG2 GLN 81 -11.225 -8.289 -0.183 681 HG3 GLN 81 HG3 GLN 81 -12.421 -8.069 1.093 682 HE21 GLN 81 HE21 GLN 81 -14.712 -7.809 0.239 683 HE22 GLN 81 HE22 GLN 81 -15.188 -8.905 -1.009 684 H VAL 82 H VAL 82 -9.586 -5.281 0.268 685 HA VAL 82 HA VAL 82 -8.280 -7.207 1.820 686 HB VAL 82 HB VAL 82 -7.180 -4.674 0.596 687 HG11 VAL 82 HG11 VAL 82 -5.938 -6.702 2.287 688 HG12 VAL 82 HG12 VAL 82 -5.107 -6.465 0.750 689 HG13 VAL 82 HG13 VAL 82 -5.364 -5.097 1.832 690 HG21 VAL 82 HG21 VAL 82 -6.739 -7.431 -0.462 691 HG22 VAL 82 HG22 VAL 82 -8.255 -6.600 -0.807 692 HG23 VAL 82 HG23 VAL 82 -6.723 -5.885 -1.312 693 H VAL 83 H VAL 83 -8.553 -3.693 2.331 694 HA VAL 83 HA VAL 83 -7.125 -3.610 4.751 695 HB VAL 83 HB VAL 83 -9.310 -1.764 3.776 696 HG11 VAL 83 HG11 VAL 83 -7.963 -0.153 5.316 697 HG12 VAL 83 HG12 VAL 83 -9.164 -1.237 6.018 698 HG13 VAL 83 HG13 VAL 83 -7.450 -1.642 6.111 699 HG21 VAL 83 HG21 VAL 83 -6.534 -0.852 3.704 700 HG22 VAL 83 HG22 VAL 83 -6.859 -2.224 2.645 701 HG23 VAL 83 HG23 VAL 83 -7.798 -0.741 2.478 702 H LYS 84 H LYS 84 -10.595 -3.932 4.092 703 HA LYS 84 HA LYS 84 -11.662 -3.760 6.599 704 HB2 LYS 84 HB2 LYS 84 -13.104 -4.079 4.720 705 HB3 LYS 84 HB3 LYS 84 -12.374 -5.634 4.346 706 HG2 LYS 84 HG2 LYS 84 -13.484 -6.719 6.043 707 HG3 LYS 84 HG3 LYS 84 -13.715 -5.241 6.980 708 HD2 LYS 84 HD2 LYS 84 -15.333 -4.454 5.304 709 HD3 LYS 84 HD3 LYS 84 -15.120 -5.959 4.406 710 HE2 LYS 84 HE2 LYS 84 -16.627 -6.966 5.688 711 HE3 LYS 84 HE3 LYS 84 -15.693 -6.578 7.132 712 HZ1 LYS 84 HZ1 LYS 84 -17.939 -5.689 7.252 713 HZ2 LYS 84 HZ2 LYS 84 -16.799 -4.438 7.237 714 HZ3 LYS 84 HZ3 LYS 84 -17.684 -4.793 5.839 715 H ASP 85 H ASP 85 -10.766 -6.883 5.123 716 HA ASP 85 HA ASP 85 -10.609 -8.087 7.762 717 HB2 ASP 85 HB2 ASP 85 -10.035 -9.415 5.112 718 HB3 ASP 85 HB3 ASP 85 -10.462 -10.188 6.636 719 H VAL 86 H VAL 86 -8.588 -6.164 6.259 720 HA VAL 86 HA VAL 86 -6.305 -5.991 5.966 721 HB VAL 86 HB VAL 86 -5.073 -6.324 8.078 722 HG11 VAL 86 HG11 VAL 86 -7.731 -5.118 8.763 723 HG12 VAL 86 HG12 VAL 86 -6.116 -4.593 9.239 724 HG13 VAL 86 HG13 VAL 86 -6.664 -4.362 7.579 725 HG21 VAL 86 HG21 VAL 86 -6.073 -7.270 10.011 726 HG22 VAL 86 HG22 VAL 86 -7.653 -7.366 9.231 727 HG23 VAL 86 HG23 VAL 86 -6.339 -8.417 8.698 728 H LYS 87 H LYS 87 -7.129 -8.290 4.687 729 HA LYS 87 HA LYS 87 -4.727 -9.760 4.530 730 HB2 LYS 87 HB2 LYS 87 -5.345 -11.876 5.430 731 HB3 LYS 87 HB3 LYS 87 -5.688 -10.680 6.673 732 HG2 LYS 87 HG2 LYS 87 -7.655 -11.732 6.821 733 HG3 LYS 87 HG3 LYS 87 -8.072 -10.790 5.387 734 HD2 LYS 87 HD2 LYS 87 -8.655 -13.056 4.941 735 HD3 LYS 87 HD3 LYS 87 -7.205 -12.694 4.001 736 HE2 LYS 87 HE2 LYS 87 -6.032 -14.270 5.054 737 HE3 LYS 87 HE3 LYS 87 -6.548 -13.693 6.638 738 HZ1 LYS 87 HZ1 LYS 87 -8.043 -15.545 4.861 739 HZ2 LYS 87 HZ2 LYS 87 -7.280 -15.942 6.319 740 HZ3 LYS 87 HZ3 LYS 87 -8.635 -14.928 6.320 741 H GLY 88 H GLY 88 -4.650 -11.047 2.702 742 HA2 GLY 88 HA2 GLY 88 -7.068 -10.925 1.014 743 HA3 GLY 88 HA3 GLY 88 -5.421 -10.941 0.401 744 H SER 89 H SER 89 -6.593 -12.686 -0.909 745 HA SER 89 HA SER 89 -6.513 -15.255 0.525 746 HB2 SER 89 HB2 SER 89 -8.590 -14.351 -0.864 747 HB3 SER 89 HB3 SER 89 -7.682 -15.033 -2.214 748 HG SER 89 HG SER 89 -8.557 -16.840 -1.598 749 H GLY 90 H GLY 90 -5.556 -17.087 -0.542 750 HA2 GLY 90 HA2 GLY 90 -4.317 -17.660 -2.714 751 HA3 GLY 90 HA3 GLY 90 -3.321 -16.276 -2.285 752 H LEU 91 H LEU 91 -4.632 -19.045 -0.459 753 HA LEU 91 HA LEU 91 -2.078 -19.344 0.891 754 HB2 LEU 91 HB2 LEU 91 -4.826 -20.034 1.421 755 HB3 LEU 91 HB3 LEU 91 -3.776 -21.430 1.652 756 HG LEU 91 HG LEU 91 -4.169 -20.207 3.740 757 HD11 LEU 91 HD11 LEU 91 -1.530 -20.670 2.557 758 HD12 LEU 91 HD12 LEU 91 -1.530 -19.573 3.938 759 HD13 LEU 91 HD13 LEU 91 -2.193 -21.199 4.103 760 HD21 LEU 91 HD21 LEU 91 -2.476 -17.944 3.219 761 HD22 LEU 91 HD22 LEU 91 -3.856 -17.945 2.121 762 HD23 LEU 91 HD23 LEU 91 -4.116 -17.992 3.865 763 H GLU 92 H GLU 92 -0.734 -21.114 0.755 764 HA GLU 92 HA GLU 92 -1.314 -22.996 -1.438 765 HB2 GLU 92 HB2 GLU 92 1.430 -22.143 -0.514 766 HB3 GLU 92 HB3 GLU 92 1.031 -23.091 -1.939 767 HG2 GLU 92 HG2 GLU 92 -0.406 -20.711 -2.200 768 HG3 GLU 92 HG3 GLU 92 1.192 -20.243 -1.624 769 H HIS 93 H HIS 93 -2.254 -24.548 -0.097 770 HA HIS 93 HA HIS 93 -0.324 -26.074 1.486 771 HB2 HIS 93 HB2 HIS 93 -2.640 -24.650 2.539 772 HB3 HIS 93 HB3 HIS 93 -2.678 -26.367 2.925 773 HD1 HIS 93 HD1 HIS 93 -1.855 -23.547 4.613 774 HD2 HIS 93 HD2 HIS 93 0.394 -26.918 3.697 775 HE1 HIS 93 HE1 HIS 93 0.000 -23.599 6.312 776 H HIS 94 H HIS 94 -0.259 -28.009 0.566 777 HA HIS 94 HA HIS 94 -2.754 -29.146 -0.511 778 HB2 HIS 94 HB2 HIS 94 -0.760 -28.718 -2.068 779 HB3 HIS 94 HB3 HIS 94 0.026 -30.057 -1.236 780 HD1 HIS 94 HD1 HIS 94 -3.352 -29.511 -2.921 781 HD2 HIS 94 HD2 HIS 94 -0.360 -32.370 -2.558 782 HE1 HIS 94 HE1 HIS 94 -4.092 -31.445 -4.349 783 H HIS 95 H HIS 95 -2.744 -29.483 2.064 784 HA HIS 95 HA HIS 95 -1.271 -31.772 2.966 785 HB2 HIS 95 HB2 HIS 95 -2.615 -31.564 5.010 786 HB3 HIS 95 HB3 HIS 95 -1.943 -30.009 4.530 787 HD1 HIS 95 HD1 HIS 95 -3.579 -28.156 3.917 788 HD2 HIS 95 HD2 HIS 95 -5.427 -31.794 4.703 789 HE1 HIS 95 HE1 HIS 95 -6.036 -27.643 4.068 790 H HIS 96 H HIS 96 -1.913 -33.864 3.126 791 HA HIS 96 HA HIS 96 -4.498 -34.541 1.892 792 HB2 HIS 96 HB2 HIS 96 -2.632 -35.399 0.611 793 HB3 HIS 96 HB3 HIS 96 -1.932 -36.132 2.051 794 HD1 HIS 96 HD1 HIS 96 -5.525 -36.384 0.856 795 HD2 HIS 96 HD2 HIS 96 -2.193 -38.781 1.491 796 HE1 HIS 96 HE1 HIS 96 -6.312 -38.742 0.476 797 H HIS 97 H HIS 97 -5.996 -35.522 3.087 798 HA HIS 97 HA HIS 97 -5.393 -37.348 5.185 799 HB2 HIS 97 HB2 HIS 97 -5.147 -34.793 6.034 800 HB3 HIS 97 HB3 HIS 97 -6.868 -35.044 6.316 801 HD1 HIS 97 HD1 HIS 97 -7.415 -37.252 7.834 802 HD2 HIS 97 HD2 HIS 97 -3.551 -35.738 8.012 803 HE1 HIS 97 HE1 HIS 97 -6.413 -38.214 9.931 804 H HIS 98 H HIS 98 -7.147 -38.586 5.721 805 HA HIS 98 HA HIS 98 -9.835 -37.736 5.152 806 HB2 HIS 98 HB2 HIS 98 -8.806 -38.516 2.925 807 HB3 HIS 98 HB3 HIS 98 -8.866 -40.136 3.612 808 HD1 HIS 98 HD1 HIS 98 -11.710 -39.442 5.065 809 HD2 HIS 98 HD2 HIS 98 -10.764 -39.209 1.026 810 HE1 HIS 98 HE1 HIS 98 -13.904 -39.622 3.849 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -5.213 -8.336 11.350 2 HA2 GLY 1 HA2 GLY 1 -2.746 -7.542 12.636 3 HA3 GLY 1 HA3 GLY 1 -2.915 -8.214 11.021 4 H ARG 2 H ARG 2 -1.202 -6.444 10.777 5 HA ARG 2 HA ARG 2 -2.350 -3.777 10.496 6 HB2 ARG 2 HB2 ARG 2 0.357 -4.896 10.762 7 HB3 ARG 2 HB3 ARG 2 0.230 -3.555 9.631 8 HG2 ARG 2 HG2 ARG 2 0.434 -2.211 11.383 9 HG3 ARG 2 HG3 ARG 2 -1.200 -2.700 11.838 10 HD2 ARG 2 HD2 ARG 2 -0.332 -4.467 13.229 11 HD3 ARG 2 HD3 ARG 2 1.312 -4.135 12.685 12 HE ARG 2 HE ARG 2 0.058 -1.868 13.906 13 HH11 ARG 2 HH11 ARG 2 1.801 -4.818 14.517 14 HH12 ARG 2 HH12 ARG 2 2.422 -4.287 16.045 15 HH21 ARG 2 HH21 ARG 2 0.869 -1.157 15.915 16 HH22 ARG 2 HH22 ARG 2 1.891 -2.206 16.840 17 H VAL 3 H VAL 3 -2.328 -2.612 8.546 18 HA VAL 3 HA VAL 3 -1.614 -3.990 6.091 19 HB VAL 3 HB VAL 3 -3.782 -3.752 5.043 20 HG11 VAL 3 HG11 VAL 3 -3.315 -5.835 6.238 21 HG12 VAL 3 HG12 VAL 3 -4.024 -5.156 7.703 22 HG13 VAL 3 HG13 VAL 3 -5.033 -5.439 6.284 23 HG21 VAL 3 HG21 VAL 3 -5.716 -3.249 6.777 24 HG22 VAL 3 HG22 VAL 3 -4.436 -2.328 7.568 25 HG23 VAL 3 HG23 VAL 3 -4.894 -1.954 5.906 26 H VAL 4 H VAL 4 -1.407 -2.611 4.298 27 HA VAL 4 HA VAL 4 -1.752 0.261 4.821 28 HB VAL 4 HB VAL 4 0.731 -1.040 3.697 29 HG11 VAL 4 HG11 VAL 4 1.438 1.511 3.837 30 HG12 VAL 4 HG12 VAL 4 0.684 0.830 2.395 31 HG13 VAL 4 HG13 VAL 4 -0.287 1.745 3.550 32 HG21 VAL 4 HG21 VAL 4 0.418 -0.988 6.194 33 HG22 VAL 4 HG22 VAL 4 1.862 -0.171 5.598 34 HG23 VAL 4 HG23 VAL 4 0.454 0.772 6.086 35 H VAL 5 H VAL 5 -2.486 1.438 3.129 36 HA VAL 5 HA VAL 5 -2.989 -0.022 0.624 37 HB VAL 5 HB VAL 5 -4.376 2.479 1.590 38 HG11 VAL 5 HG11 VAL 5 -4.538 2.272 -0.777 39 HG12 VAL 5 HG12 VAL 5 -4.919 0.554 -0.662 40 HG13 VAL 5 HG13 VAL 5 -6.081 1.754 -0.101 41 HG21 VAL 5 HG21 VAL 5 -5.231 1.060 3.134 42 HG22 VAL 5 HG22 VAL 5 -6.268 0.588 1.787 43 HG23 VAL 5 HG23 VAL 5 -4.846 -0.377 2.186 44 H VAL 6 H VAL 6 -2.043 0.616 -1.205 45 HA VAL 6 HA VAL 6 -0.786 3.282 -1.270 46 HB VAL 6 HB VAL 6 0.295 0.696 -2.394 47 HG11 VAL 6 HG11 VAL 6 2.275 2.330 -2.921 48 HG12 VAL 6 HG12 VAL 6 0.927 2.164 -4.045 49 HG13 VAL 6 HG13 VAL 6 0.994 3.542 -2.945 50 HG21 VAL 6 HG21 VAL 6 0.637 1.990 0.096 51 HG22 VAL 6 HG22 VAL 6 1.476 0.566 -0.519 52 HG23 VAL 6 HG23 VAL 6 2.143 2.173 -0.803 53 H VAL 7 H VAL 7 -0.961 4.454 -3.142 54 HA VAL 7 HA VAL 7 -2.470 3.231 -5.356 55 HB VAL 7 HB VAL 7 -3.659 5.375 -5.682 56 HG11 VAL 7 HG11 VAL 7 -4.961 3.789 -4.592 57 HG12 VAL 7 HG12 VAL 7 -3.977 3.841 -3.129 58 HG13 VAL 7 HG13 VAL 7 -5.054 5.183 -3.517 59 HG21 VAL 7 HG21 VAL 7 -2.079 6.124 -3.260 60 HG22 VAL 7 HG22 VAL 7 -2.390 7.050 -4.728 61 HG23 VAL 7 HG23 VAL 7 -3.665 6.847 -3.528 62 H THR 8 H THR 8 -2.286 4.481 -7.401 63 HA THR 8 HA THR 8 0.480 5.353 -7.751 64 HB THR 8 HB THR 8 -0.772 5.394 -10.249 65 HG1 THR 8 HG1 THR 8 -2.549 4.257 -9.467 66 HG21 THR 8 HG21 THR 8 0.530 2.870 -9.482 67 HG22 THR 8 HG22 THR 8 0.919 3.998 -10.781 68 HG23 THR 8 HG23 THR 8 1.465 4.325 -9.136 69 H SER 9 H SER 9 -2.719 6.620 -7.647 70 HA SER 9 HA SER 9 -1.709 9.227 -8.583 71 HB2 SER 9 HB2 SER 9 -4.192 7.760 -9.228 72 HB3 SER 9 HB3 SER 9 -4.398 9.477 -8.887 73 HG SER 9 HG SER 9 -3.393 9.959 -10.682 74 H GLU 10 H GLU 10 -2.287 11.056 -7.421 75 HA GLU 10 HA GLU 10 -2.617 10.747 -4.649 76 HB2 GLU 10 HB2 GLU 10 -2.644 13.119 -4.521 77 HB3 GLU 10 HB3 GLU 10 -1.563 12.707 -5.845 78 HG2 GLU 10 HG2 GLU 10 -3.674 13.023 -7.322 79 HG3 GLU 10 HG3 GLU 10 -4.283 13.926 -5.936 80 H GLN 11 H GLN 11 -4.907 11.269 -7.239 81 HA GLN 11 HA GLN 11 -7.124 12.134 -5.806 82 HB2 GLN 11 HB2 GLN 11 -6.617 10.932 -8.409 83 HB3 GLN 11 HB3 GLN 11 -8.170 10.443 -7.744 84 HG2 GLN 11 HG2 GLN 11 -8.752 12.812 -7.427 85 HG3 GLN 11 HG3 GLN 11 -7.221 13.266 -8.175 86 HE21 GLN 11 HE21 GLN 11 -7.068 13.323 -10.340 87 HE22 GLN 11 HE22 GLN 11 -8.344 12.902 -11.425 88 H VAL 12 H VAL 12 -6.164 8.796 -6.587 89 HA VAL 12 HA VAL 12 -8.273 7.532 -5.226 90 HB VAL 12 HB VAL 12 -5.516 6.369 -5.588 91 HG11 VAL 12 HG11 VAL 12 -7.167 5.130 -4.194 92 HG12 VAL 12 HG12 VAL 12 -8.219 5.037 -5.606 93 HG13 VAL 12 HG13 VAL 12 -6.640 4.251 -5.629 94 HG21 VAL 12 HG21 VAL 12 -7.502 7.151 -7.587 95 HG22 VAL 12 HG22 VAL 12 -5.790 6.772 -7.776 96 HG23 VAL 12 HG23 VAL 12 -6.979 5.471 -7.715 97 H LYS 13 H LYS 13 -5.127 8.666 -4.151 98 HA LYS 13 HA LYS 13 -5.019 7.387 -1.665 99 HB2 LYS 13 HB2 LYS 13 -3.116 8.576 -2.695 100 HB3 LYS 13 HB3 LYS 13 -3.931 10.109 -2.411 101 HG2 LYS 13 HG2 LYS 13 -3.633 8.459 -0.016 102 HG3 LYS 13 HG3 LYS 13 -2.108 8.965 -0.746 103 HD2 LYS 13 HD2 LYS 13 -2.800 11.286 -0.657 104 HD3 LYS 13 HD3 LYS 13 -4.383 10.816 -0.034 105 HE2 LYS 13 HE2 LYS 13 -2.415 9.642 1.633 106 HE3 LYS 13 HE3 LYS 13 -1.976 11.334 1.400 107 HZ1 LYS 13 HZ1 LYS 13 -3.664 12.003 2.663 108 HZ2 LYS 13 HZ2 LYS 13 -4.772 10.969 1.910 109 HZ3 LYS 13 HZ3 LYS 13 -3.805 10.397 3.176 110 H GLU 14 H GLU 14 -6.256 10.621 -2.500 111 HA GLU 14 HA GLU 14 -7.072 11.373 0.060 112 HB2 GLU 14 HB2 GLU 14 -7.896 12.167 -2.706 113 HB3 GLU 14 HB3 GLU 14 -8.827 12.749 -1.333 114 HG2 GLU 14 HG2 GLU 14 -6.673 13.617 -0.375 115 HG3 GLU 14 HG3 GLU 14 -5.923 13.236 -1.924 116 H GLU 15 H GLU 15 -8.778 9.561 -2.452 117 HA GLU 15 HA GLU 15 -11.272 9.441 -1.126 118 HB2 GLU 15 HB2 GLU 15 -10.144 7.461 -3.110 119 HB3 GLU 15 HB3 GLU 15 -11.839 7.696 -2.711 120 HG2 GLU 15 HG2 GLU 15 -10.780 10.196 -3.522 121 HG3 GLU 15 HG3 GLU 15 -10.289 8.982 -4.702 122 H VAL 16 H VAL 16 -8.436 7.342 -1.103 123 HA VAL 16 HA VAL 16 -9.619 5.268 0.442 124 HB VAL 16 HB VAL 16 -6.701 5.961 0.066 125 HG11 VAL 16 HG11 VAL 16 -8.024 3.490 1.176 126 HG12 VAL 16 HG12 VAL 16 -6.322 3.594 0.728 127 HG13 VAL 16 HG13 VAL 16 -6.954 4.601 2.030 128 HG21 VAL 16 HG21 VAL 16 -6.781 4.952 -1.922 129 HG22 VAL 16 HG22 VAL 16 -7.698 3.591 -1.277 130 HG23 VAL 16 HG23 VAL 16 -8.537 5.052 -1.799 131 H ARG 17 H ARG 17 -7.375 7.906 1.278 132 HA ARG 17 HA ARG 17 -7.166 7.373 4.004 133 HB2 ARG 17 HB2 ARG 17 -5.743 8.977 2.753 134 HB3 ARG 17 HB3 ARG 17 -7.106 10.085 2.669 135 HG2 ARG 17 HG2 ARG 17 -6.552 9.228 5.384 136 HG3 ARG 17 HG3 ARG 17 -5.167 10.015 4.625 137 HD2 ARG 17 HD2 ARG 17 -7.924 11.199 4.523 138 HD3 ARG 17 HD3 ARG 17 -6.833 11.496 5.875 139 HE ARG 17 HE ARG 17 -5.319 12.144 3.746 140 HH11 ARG 17 HH11 ARG 17 -8.539 13.048 4.712 141 HH12 ARG 17 HH12 ARG 17 -8.464 14.609 3.966 142 HH21 ARG 17 HH21 ARG 17 -5.209 14.198 2.761 143 HH22 ARG 17 HH22 ARG 17 -6.570 15.263 2.855 144 H LYS 18 H LYS 18 -9.671 8.998 2.188 145 HA LYS 18 HA LYS 18 -10.989 10.136 4.454 146 HB2 LYS 18 HB2 LYS 18 -11.657 9.772 1.561 147 HB3 LYS 18 HB3 LYS 18 -12.940 10.197 2.687 148 HG2 LYS 18 HG2 LYS 18 -11.606 12.165 3.386 149 HG3 LYS 18 HG3 LYS 18 -10.428 11.762 2.134 150 HD2 LYS 18 HD2 LYS 18 -12.163 11.997 0.426 151 HD3 LYS 18 HD3 LYS 18 -13.345 12.390 1.677 152 HE2 LYS 18 HE2 LYS 18 -11.741 14.290 2.312 153 HE3 LYS 18 HE3 LYS 18 -10.983 13.994 0.748 154 HZ1 LYS 18 HZ1 LYS 18 -13.894 14.419 0.935 155 HZ2 LYS 18 HZ2 LYS 18 -12.839 15.742 0.917 156 HZ3 LYS 18 HZ3 LYS 18 -12.864 14.664 -0.386 157 H LYS 19 H LYS 19 -11.362 7.179 2.567 158 HA LYS 19 HA LYS 19 -13.753 6.305 3.812 159 HB2 LYS 19 HB2 LYS 19 -11.729 5.161 1.995 160 HB3 LYS 19 HB3 LYS 19 -12.577 3.989 2.997 161 HG2 LYS 19 HG2 LYS 19 -14.624 4.446 2.031 162 HG3 LYS 19 HG3 LYS 19 -14.118 6.041 1.470 163 HD2 LYS 19 HD2 LYS 19 -12.426 4.670 0.023 164 HD3 LYS 19 HD3 LYS 19 -13.562 3.348 0.300 165 HE2 LYS 19 HE2 LYS 19 -14.963 5.752 -0.438 166 HE3 LYS 19 HE3 LYS 19 -13.727 5.366 -1.635 167 HZ1 LYS 19 HZ1 LYS 19 -14.908 3.651 -2.372 168 HZ2 LYS 19 HZ2 LYS 19 -15.205 3.060 -0.815 169 HZ3 LYS 19 HZ3 LYS 19 -16.210 4.253 -1.473 170 H PHE 20 H PHE 20 -10.328 5.679 4.451 171 HA PHE 20 HA PHE 20 -11.055 4.806 7.148 172 HB2 PHE 20 HB2 PHE 20 -9.024 3.287 5.514 173 HB3 PHE 20 HB3 PHE 20 -9.709 2.843 7.074 174 HD1 PHE 20 HD1 PHE 20 -9.856 2.291 3.622 175 HD2 PHE 20 HD2 PHE 20 -12.323 2.543 7.081 176 HE1 PHE 20 HE1 PHE 20 -11.589 0.970 2.478 177 HE2 PHE 20 HE2 PHE 20 -14.058 1.222 5.943 178 HZ PHE 20 HZ PHE 20 -13.692 0.432 3.639 179 HA PRO 21 HA PRO 21 -7.594 7.874 7.121 180 HB2 PRO 21 HB2 PRO 21 -8.563 9.314 9.209 181 HB3 PRO 21 HB3 PRO 21 -9.061 9.594 7.536 182 HG2 PRO 21 HG2 PRO 21 -10.454 8.060 9.696 183 HG3 PRO 21 HG3 PRO 21 -11.132 9.194 8.515 184 HD2 PRO 21 HD2 PRO 21 -11.301 6.508 8.217 185 HD3 PRO 21 HD3 PRO 21 -11.175 7.616 6.835 186 H GLN 22 H GLN 22 -9.101 5.914 9.596 187 HA GLN 22 HA GLN 22 -7.109 6.276 11.589 188 HB2 GLN 22 HB2 GLN 22 -8.119 4.266 12.633 189 HB3 GLN 22 HB3 GLN 22 -9.308 5.491 12.211 190 HG2 GLN 22 HG2 GLN 22 -9.100 3.792 9.986 191 HG3 GLN 22 HG3 GLN 22 -9.164 2.753 11.409 192 HE21 GLN 22 HE21 GLN 22 -11.055 2.467 12.425 193 HE22 GLN 22 HE22 GLN 22 -12.530 3.261 12.004 194 H VAL 23 H VAL 23 -7.385 4.245 8.791 195 HA VAL 23 HA VAL 23 -5.275 2.444 9.614 196 HB VAL 23 HB VAL 23 -7.313 1.976 8.014 197 HG11 VAL 23 HG11 VAL 23 -5.346 2.416 5.845 198 HG12 VAL 23 HG12 VAL 23 -7.109 2.488 5.812 199 HG13 VAL 23 HG13 VAL 23 -6.183 3.837 6.470 200 HG21 VAL 23 HG21 VAL 23 -6.283 0.010 7.428 201 HG22 VAL 23 HG22 VAL 23 -4.747 0.795 7.063 202 HG23 VAL 23 HG23 VAL 23 -5.233 0.542 8.740 203 H GLU 24 H GLU 24 -3.432 2.068 8.032 204 HA GLU 24 HA GLU 24 -2.054 4.580 7.674 205 HB2 GLU 24 HB2 GLU 24 -1.315 1.704 7.630 206 HB3 GLU 24 HB3 GLU 24 -0.309 2.798 6.692 207 HG2 GLU 24 HG2 GLU 24 -0.960 3.303 9.577 208 HG3 GLU 24 HG3 GLU 24 0.408 2.311 9.075 209 H VAL 25 H VAL 25 -1.798 5.667 5.829 210 HA VAL 25 HA VAL 25 -2.363 4.298 3.288 211 HB VAL 25 HB VAL 25 -4.352 5.577 3.835 212 HG11 VAL 25 HG11 VAL 25 -2.697 8.085 3.826 213 HG12 VAL 25 HG12 VAL 25 -4.375 7.877 4.327 214 HG13 VAL 25 HG13 VAL 25 -3.072 7.209 5.310 215 HG21 VAL 25 HG21 VAL 25 -3.549 7.455 1.850 216 HG22 VAL 25 HG22 VAL 25 -2.784 5.905 1.501 217 HG23 VAL 25 HG23 VAL 25 -4.537 6.006 1.665 218 H ARG 26 H ARG 26 -0.778 4.533 1.859 219 HA ARG 26 HA ARG 26 0.836 6.975 1.878 220 HB2 ARG 26 HB2 ARG 26 1.835 4.179 2.272 221 HB3 ARG 26 HB3 ARG 26 2.846 5.354 1.440 222 HG2 ARG 26 HG2 ARG 26 1.676 5.821 4.169 223 HG3 ARG 26 HG3 ARG 26 3.268 5.111 3.897 224 HD2 ARG 26 HD2 ARG 26 3.708 7.201 2.455 225 HD3 ARG 26 HD3 ARG 26 2.304 7.881 3.275 226 HE ARG 26 HE ARG 26 3.839 7.005 5.317 227 HH11 ARG 26 HH11 ARG 26 4.474 9.025 2.554 228 HH12 ARG 26 HH12 ARG 26 5.696 9.957 3.352 229 HH21 ARG 26 HH21 ARG 26 5.447 8.226 6.380 230 HH22 ARG 26 HH22 ARG 26 6.249 9.502 5.528 231 H VAL 27 H VAL 27 0.741 7.793 -0.098 232 HA VAL 27 HA VAL 27 0.198 6.050 -2.373 233 HB VAL 27 HB VAL 27 -1.178 8.015 -2.257 234 HG11 VAL 27 HG11 VAL 27 0.175 9.453 -0.895 235 HG12 VAL 27 HG12 VAL 27 1.413 9.552 -2.147 236 HG13 VAL 27 HG13 VAL 27 -0.168 10.287 -2.410 237 HG21 VAL 27 HG21 VAL 27 -0.423 7.256 -4.486 238 HG22 VAL 27 HG22 VAL 27 -0.773 8.984 -4.433 239 HG23 VAL 27 HG23 VAL 27 0.898 8.422 -4.407 240 H VAL 28 H VAL 28 1.645 5.539 -3.900 241 HA VAL 28 HA VAL 28 4.259 6.903 -3.832 242 HB VAL 28 HB VAL 28 3.900 4.052 -4.719 243 HG11 VAL 28 HG11 VAL 28 6.163 3.953 -4.817 244 HG12 VAL 28 HG12 VAL 28 5.983 5.687 -5.078 245 HG13 VAL 28 HG13 VAL 28 6.382 5.073 -3.474 246 HG21 VAL 28 HG21 VAL 28 4.641 3.346 -2.486 247 HG22 VAL 28 HG22 VAL 28 4.545 5.020 -1.936 248 HG23 VAL 28 HG23 VAL 28 3.082 4.170 -2.433 249 H THR 29 H THR 29 5.230 7.412 -5.766 250 HA THR 29 HA THR 29 3.619 6.942 -8.191 251 HB THR 29 HB THR 29 4.441 9.118 -9.048 252 HG1 THR 29 HG1 THR 29 6.091 9.922 -7.996 253 HG21 THR 29 HG21 THR 29 2.874 10.442 -7.904 254 HG22 THR 29 HG22 THR 29 2.267 8.796 -7.727 255 HG23 THR 29 HG23 THR 29 3.114 9.572 -6.389 256 H THR 30 H THR 30 6.819 7.219 -6.784 257 HA THR 30 HA THR 30 7.944 6.062 -9.251 258 HB THR 30 HB THR 30 9.950 7.306 -7.580 259 HG1 THR 30 HG1 THR 30 7.972 9.059 -8.644 260 HG21 THR 30 HG21 THR 30 10.759 8.105 -9.605 261 HG22 THR 30 HG22 THR 30 9.903 6.643 -10.094 262 HG23 THR 30 HG23 THR 30 9.150 8.221 -10.318 263 H GLU 31 H GLU 31 10.083 4.899 -8.782 264 HA GLU 31 HA GLU 31 9.546 2.815 -6.916 265 HB2 GLU 31 HB2 GLU 31 12.142 3.370 -8.357 266 HB3 GLU 31 HB3 GLU 31 11.622 1.840 -7.666 267 HG2 GLU 31 HG2 GLU 31 9.653 2.007 -9.306 268 HG3 GLU 31 HG3 GLU 31 10.629 3.225 -10.124 269 H GLU 32 H GLU 32 11.906 5.462 -7.022 270 HA GLU 32 HA GLU 32 13.296 4.818 -4.680 271 HB2 GLU 32 HB2 GLU 32 13.184 7.013 -6.532 272 HB3 GLU 32 HB3 GLU 32 13.235 7.633 -4.888 273 HG2 GLU 32 HG2 GLU 32 15.423 7.336 -4.904 274 HG3 GLU 32 HG3 GLU 32 15.142 5.597 -4.971 275 H ASP 33 H ASP 33 10.375 6.730 -5.194 276 HA ASP 33 HA ASP 33 10.116 7.746 -2.589 277 HB2 ASP 33 HB2 ASP 33 8.249 7.312 -4.879 278 HB3 ASP 33 HB3 ASP 33 7.569 7.698 -3.301 279 H ALA 34 H ALA 34 8.837 4.792 -4.076 280 HA ALA 34 HA ALA 34 7.340 3.890 -1.886 281 HB1 ALA 34 HB1 ALA 34 8.310 1.613 -3.199 282 HB2 ALA 34 HB2 ALA 34 6.768 2.428 -3.456 283 HB3 ALA 34 HB3 ALA 34 8.169 2.862 -4.436 284 H LYS 35 H LYS 35 10.739 3.442 -2.727 285 HA LYS 35 HA LYS 35 11.424 1.512 -0.840 286 HB2 LYS 35 HB2 LYS 35 12.994 2.083 -2.548 287 HB3 LYS 35 HB3 LYS 35 13.025 3.768 -2.045 288 HG2 LYS 35 HG2 LYS 35 14.303 3.304 -0.150 289 HG3 LYS 35 HG3 LYS 35 13.924 1.581 -0.205 290 HD2 LYS 35 HD2 LYS 35 15.286 1.285 -2.161 291 HD3 LYS 35 HD3 LYS 35 15.541 3.026 -2.302 292 HE2 LYS 35 HE2 LYS 35 16.353 2.407 0.283 293 HE3 LYS 35 HE3 LYS 35 16.950 1.069 -0.698 294 HZ1 LYS 35 HZ1 LYS 35 18.284 3.325 -0.393 295 HZ2 LYS 35 HZ2 LYS 35 18.381 2.398 -1.805 296 HZ3 LYS 35 HZ3 LYS 35 17.370 3.754 -1.750 297 H GLN 36 H GLN 36 11.711 5.056 -0.553 298 HA GLN 36 HA GLN 36 12.546 5.090 2.119 299 HB2 GLN 36 HB2 GLN 36 10.906 7.225 0.751 300 HB3 GLN 36 HB3 GLN 36 11.997 7.433 2.114 301 HG2 GLN 36 HG2 GLN 36 13.706 6.406 0.321 302 HG3 GLN 36 HG3 GLN 36 12.576 7.215 -0.764 303 HE21 GLN 36 HE21 GLN 36 14.435 7.774 2.198 304 HE22 GLN 36 HE22 GLN 36 14.813 9.424 1.857 305 H VAL 37 H VAL 37 9.342 4.972 0.688 306 HA VAL 37 HA VAL 37 7.884 5.509 3.059 307 HB VAL 37 HB VAL 37 7.040 4.020 0.570 308 HG11 VAL 37 HG11 VAL 37 5.591 3.420 2.403 309 HG12 VAL 37 HG12 VAL 37 5.397 5.115 2.850 310 HG13 VAL 37 HG13 VAL 37 4.737 4.524 1.325 311 HG21 VAL 37 HG21 VAL 37 7.734 6.634 0.762 312 HG22 VAL 37 HG22 VAL 37 6.560 5.998 -0.391 313 HG23 VAL 37 HG23 VAL 37 6.009 6.716 1.123 314 H VAL 38 H VAL 38 8.668 2.461 1.390 315 HA VAL 38 HA VAL 38 7.432 0.666 3.066 316 HB VAL 38 HB VAL 38 10.113 0.333 1.714 317 HG11 VAL 38 HG11 VAL 38 10.152 -1.490 3.066 318 HG12 VAL 38 HG12 VAL 38 8.400 -1.515 3.268 319 HG13 VAL 38 HG13 VAL 38 9.127 -2.146 1.791 320 HG21 VAL 38 HG21 VAL 38 8.977 0.275 -0.192 321 HG22 VAL 38 HG22 VAL 38 8.037 -1.087 0.419 322 HG23 VAL 38 HG23 VAL 38 7.470 0.562 0.678 323 H LYS 39 H LYS 39 10.724 1.977 3.392 324 HA LYS 39 HA LYS 39 11.413 0.610 5.738 325 HB2 LYS 39 HB2 LYS 39 12.827 2.102 4.096 326 HB3 LYS 39 HB3 LYS 39 12.420 3.383 5.232 327 HG2 LYS 39 HG2 LYS 39 13.325 1.829 7.041 328 HG3 LYS 39 HG3 LYS 39 14.017 0.891 5.715 329 HD2 LYS 39 HD2 LYS 39 15.424 2.639 5.058 330 HD3 LYS 39 HD3 LYS 39 14.482 3.847 5.934 331 HE2 LYS 39 HE2 LYS 39 16.314 3.601 7.310 332 HE3 LYS 39 HE3 LYS 39 15.177 2.463 8.029 333 HZ1 LYS 39 HZ1 LYS 39 17.066 1.538 5.971 334 HZ2 LYS 39 HZ2 LYS 39 17.592 1.724 7.569 335 HZ3 LYS 39 HZ3 LYS 39 16.325 0.661 7.214 336 H GLU 40 H GLU 40 9.945 3.810 5.279 337 HA GLU 40 HA GLU 40 9.854 4.550 7.983 338 HB2 GLU 40 HB2 GLU 40 8.391 5.383 5.519 339 HB3 GLU 40 HB3 GLU 40 7.768 5.908 7.077 340 HG2 GLU 40 HG2 GLU 40 10.550 6.388 7.082 341 HG3 GLU 40 HG3 GLU 40 9.911 6.985 5.551 342 H VAL 41 H VAL 41 7.486 2.858 5.958 343 HA VAL 41 HA VAL 41 5.485 2.659 7.952 344 HB VAL 41 HB VAL 41 5.871 0.776 5.626 345 HG11 VAL 41 HG11 VAL 41 3.830 -0.028 6.075 346 HG12 VAL 41 HG12 VAL 41 4.057 0.689 7.671 347 HG13 VAL 41 HG13 VAL 41 3.175 1.573 6.425 348 HG21 VAL 41 HG21 VAL 41 5.363 3.598 5.605 349 HG22 VAL 41 HG22 VAL 41 5.545 2.489 4.247 350 HG23 VAL 41 HG23 VAL 41 3.960 2.732 4.981 351 H GLN 42 H GLN 42 8.044 0.451 6.880 352 HA GLN 42 HA GLN 42 7.384 -1.776 8.394 353 HB2 GLN 42 HB2 GLN 42 9.612 -0.889 6.861 354 HB3 GLN 42 HB3 GLN 42 10.223 -1.500 8.393 355 HG2 GLN 42 HG2 GLN 42 8.825 -3.564 7.973 356 HG3 GLN 42 HG3 GLN 42 8.593 -2.953 6.336 357 HE21 GLN 42 HE21 GLN 42 10.548 -4.770 8.355 358 HE22 GLN 42 HE22 GLN 42 11.922 -4.924 7.319 359 H LYS 43 H LYS 43 9.173 1.120 9.317 360 HA LYS 43 HA LYS 43 9.993 0.208 11.867 361 HB2 LYS 43 HB2 LYS 43 10.961 2.165 10.642 362 HB3 LYS 43 HB3 LYS 43 9.494 3.063 11.010 363 HG2 LYS 43 HG2 LYS 43 9.946 2.936 13.368 364 HG3 LYS 43 HG3 LYS 43 11.337 1.888 13.081 365 HD2 LYS 43 HD2 LYS 43 12.421 3.708 11.826 366 HD3 LYS 43 HD3 LYS 43 11.040 4.751 12.170 367 HE2 LYS 43 HE2 LYS 43 11.528 4.832 14.459 368 HE3 LYS 43 HE3 LYS 43 12.589 3.427 14.372 369 HZ1 LYS 43 HZ1 LYS 43 13.162 6.210 13.829 370 HZ2 LYS 43 HZ2 LYS 43 14.194 4.972 14.344 371 HZ3 LYS 43 HZ3 LYS 43 13.810 5.126 12.703 372 H LYS 44 H LYS 44 7.117 1.891 10.722 373 HA LYS 44 HA LYS 44 6.022 2.483 13.258 374 HB2 LYS 44 HB2 LYS 44 5.117 2.524 10.462 375 HB3 LYS 44 HB3 LYS 44 3.834 2.221 11.627 376 HG2 LYS 44 HG2 LYS 44 5.627 4.422 12.347 377 HG3 LYS 44 HG3 LYS 44 4.701 4.677 10.866 378 HD2 LYS 44 HD2 LYS 44 2.701 3.828 12.322 379 HD3 LYS 44 HD3 LYS 44 3.739 4.302 13.668 380 HE2 LYS 44 HE2 LYS 44 3.634 6.327 11.591 381 HE3 LYS 44 HE3 LYS 44 2.036 5.950 12.233 382 HZ1 LYS 44 HZ1 LYS 44 4.340 6.532 13.996 383 HZ2 LYS 44 HZ2 LYS 44 3.333 7.755 13.402 384 HZ3 LYS 44 HZ3 LYS 44 2.695 6.537 14.388 385 H GLY 45 H GLY 45 6.012 -0.385 11.273 386 HA2 GLY 45 HA2 GLY 45 5.719 -2.521 12.386 387 HA3 GLY 45 HA3 GLY 45 4.505 -1.762 13.404 388 H VAL 46 H VAL 46 5.161 -2.414 9.964 389 HA VAL 46 HA VAL 46 2.281 -2.626 9.488 390 HB VAL 46 HB VAL 46 3.694 -1.256 7.947 391 HG11 VAL 46 HG11 VAL 46 5.661 -2.792 8.021 392 HG12 VAL 46 HG12 VAL 46 4.761 -3.908 6.994 393 HG13 VAL 46 HG13 VAL 46 5.183 -2.304 6.395 394 HG21 VAL 46 HG21 VAL 46 2.403 -3.618 6.589 395 HG22 VAL 46 HG22 VAL 46 1.509 -2.273 7.298 396 HG23 VAL 46 HG23 VAL 46 2.603 -1.989 5.944 397 H GLN 47 H GLN 47 1.399 -4.437 8.343 398 HA GLN 47 HA GLN 47 2.984 -6.904 8.618 399 HB2 GLN 47 HB2 GLN 47 0.142 -6.346 9.404 400 HB3 GLN 47 HB3 GLN 47 0.649 -7.980 8.996 401 HG2 GLN 47 HG2 GLN 47 2.434 -6.674 10.885 402 HG3 GLN 47 HG3 GLN 47 0.779 -6.817 11.475 403 HE21 GLN 47 HE21 GLN 47 3.482 -8.629 10.136 404 HE22 GLN 47 HE22 GLN 47 3.068 -10.140 10.862 405 H LYS 48 H LYS 48 0.502 -5.160 6.849 406 HA LYS 48 HA LYS 48 0.870 -7.038 4.609 407 HB2 LYS 48 HB2 LYS 48 -1.477 -6.649 5.933 408 HB3 LYS 48 HB3 LYS 48 -1.616 -5.454 4.650 409 HG2 LYS 48 HG2 LYS 48 -2.645 -7.460 3.898 410 HG3 LYS 48 HG3 LYS 48 -1.133 -7.265 3.008 411 HD2 LYS 48 HD2 LYS 48 -0.252 -9.139 3.873 412 HD3 LYS 48 HD3 LYS 48 -0.856 -8.784 5.493 413 HE2 LYS 48 HE2 LYS 48 -3.009 -9.443 3.678 414 HE3 LYS 48 HE3 LYS 48 -1.801 -10.725 3.734 415 HZ1 LYS 48 HZ1 LYS 48 -3.634 -10.886 5.412 416 HZ2 LYS 48 HZ2 LYS 48 -2.069 -10.943 6.053 417 HZ3 LYS 48 HZ3 LYS 48 -2.981 -9.523 6.171 418 H VAL 49 H VAL 49 0.530 -6.077 2.458 419 HA VAL 49 HA VAL 49 0.895 -3.181 2.318 420 HB VAL 49 HB VAL 49 2.770 -5.079 0.903 421 HG11 VAL 49 HG11 VAL 49 2.466 -3.081 -0.365 422 HG12 VAL 49 HG12 VAL 49 2.631 -2.075 1.074 423 HG13 VAL 49 HG13 VAL 49 4.025 -2.958 0.452 424 HG21 VAL 49 HG21 VAL 49 4.484 -4.028 2.449 425 HG22 VAL 49 HG22 VAL 49 3.121 -3.456 3.411 426 HG23 VAL 49 HG23 VAL 49 3.375 -5.187 3.182 427 H VAL 50 H VAL 50 -0.728 -2.569 1.048 428 HA VAL 50 HA VAL 50 -1.318 -4.178 -1.351 429 HB VAL 50 HB VAL 50 -3.184 -2.357 0.175 430 HG11 VAL 50 HG11 VAL 50 -4.694 -3.934 -1.500 431 HG12 VAL 50 HG12 VAL 50 -4.275 -2.242 -1.771 432 HG13 VAL 50 HG13 VAL 50 -3.296 -3.520 -2.492 433 HG21 VAL 50 HG21 VAL 50 -3.916 -5.161 -0.071 434 HG22 VAL 50 HG22 VAL 50 -2.409 -4.925 0.814 435 HG23 VAL 50 HG23 VAL 50 -3.883 -4.120 1.354 436 H VAL 51 H VAL 51 -1.484 -3.177 -3.319 437 HA VAL 51 HA VAL 51 -1.069 -0.271 -3.417 438 HB VAL 51 HB VAL 51 0.581 -0.461 -5.167 439 HG11 VAL 51 HG11 VAL 51 2.204 -0.628 -3.657 440 HG12 VAL 51 HG12 VAL 51 0.991 -1.194 -2.508 441 HG13 VAL 51 HG13 VAL 51 1.919 -2.357 -3.455 442 HG21 VAL 51 HG21 VAL 51 1.486 -2.651 -5.845 443 HG22 VAL 51 HG22 VAL 51 0.249 -3.445 -4.870 444 HG23 VAL 51 HG23 VAL 51 -0.219 -2.470 -6.263 445 H VAL 52 H VAL 52 -1.890 0.768 -5.255 446 HA VAL 52 HA VAL 52 -3.641 -0.892 -6.949 447 HB VAL 52 HB VAL 52 -4.273 1.964 -6.256 448 HG11 VAL 52 HG11 VAL 52 -5.488 1.172 -8.128 449 HG12 VAL 52 HG12 VAL 52 -5.840 -0.366 -7.338 450 HG13 VAL 52 HG13 VAL 52 -6.598 1.117 -6.758 451 HG21 VAL 52 HG21 VAL 52 -4.549 1.309 -4.128 452 HG22 VAL 52 HG22 VAL 52 -6.000 0.508 -4.727 453 HG23 VAL 52 HG23 VAL 52 -4.502 -0.404 -4.548 454 H GLY 53 H GLY 53 -3.474 -0.626 -9.101 455 HA2 GLY 53 HA2 GLY 53 -2.720 0.139 -11.129 456 HA3 GLY 53 HA3 GLY 53 -2.739 1.745 -10.415 457 H VAL 54 H VAL 54 -0.805 -0.519 -8.759 458 HA VAL 54 HA VAL 54 1.604 0.786 -9.812 459 HB VAL 54 HB VAL 54 1.361 -0.892 -7.313 460 HG11 VAL 54 HG11 VAL 54 3.531 0.745 -8.551 461 HG12 VAL 54 HG12 VAL 54 3.457 0.571 -6.797 462 HG13 VAL 54 HG13 VAL 54 3.610 -0.858 -7.818 463 HG21 VAL 54 HG21 VAL 54 -0.041 0.958 -6.919 464 HG22 VAL 54 HG22 VAL 54 1.500 1.378 -6.171 465 HG23 VAL 54 HG23 VAL 54 1.059 2.070 -7.733 466 H SER 55 H SER 55 3.290 -0.353 -10.670 467 HA SER 55 HA SER 55 2.756 -2.808 -11.921 468 HB2 SER 55 HB2 SER 55 5.597 -2.356 -11.578 469 HB3 SER 55 HB3 SER 55 4.630 -2.312 -13.052 470 HG SER 55 HG SER 55 5.704 -0.290 -12.366 471 H GLU 56 H GLU 56 3.170 -4.891 -11.398 472 HA GLU 56 HA GLU 56 3.543 -5.559 -8.663 473 HB2 GLU 56 HB2 GLU 56 2.187 -7.001 -10.000 474 HB3 GLU 56 HB3 GLU 56 3.475 -7.227 -11.175 475 HG2 GLU 56 HG2 GLU 56 4.762 -8.505 -9.605 476 HG3 GLU 56 HG3 GLU 56 3.602 -8.167 -8.321 477 H LYS 57 H LYS 57 5.643 -5.528 -11.480 478 HA LYS 57 HA LYS 57 7.804 -6.968 -10.437 479 HB2 LYS 57 HB2 LYS 57 9.142 -5.916 -12.162 480 HB3 LYS 57 HB3 LYS 57 7.564 -6.335 -12.816 481 HG2 LYS 57 HG2 LYS 57 6.849 -3.999 -12.526 482 HG3 LYS 57 HG3 LYS 57 8.464 -3.597 -11.939 483 HD2 LYS 57 HD2 LYS 57 9.033 -4.864 -14.283 484 HD3 LYS 57 HD3 LYS 57 7.508 -4.066 -14.674 485 HE2 LYS 57 HE2 LYS 57 8.847 -2.087 -13.366 486 HE3 LYS 57 HE3 LYS 57 10.166 -2.928 -14.179 487 HZ1 LYS 57 HZ1 LYS 57 9.072 -2.630 -16.275 488 HZ2 LYS 57 HZ2 LYS 57 7.713 -1.947 -15.534 489 HZ3 LYS 57 HZ3 LYS 57 9.191 -1.123 -15.514 490 H VAL 58 H VAL 58 6.882 -3.594 -10.088 491 HA VAL 58 HA VAL 58 9.303 -2.755 -8.837 492 HB VAL 58 HB VAL 58 6.558 -1.494 -8.741 493 HG11 VAL 58 HG11 VAL 58 8.022 0.586 -8.303 494 HG12 VAL 58 HG12 VAL 58 7.709 -0.523 -6.968 495 HG13 VAL 58 HG13 VAL 58 9.256 -0.576 -7.815 496 HG21 VAL 58 HG21 VAL 58 8.349 -1.781 -10.885 497 HG22 VAL 58 HG22 VAL 58 6.912 -0.762 -10.809 498 HG23 VAL 58 HG23 VAL 58 8.483 -0.106 -10.351 499 H VAL 59 H VAL 59 6.033 -3.336 -7.528 500 HA VAL 59 HA VAL 59 6.739 -3.061 -4.826 501 HB VAL 59 HB VAL 59 4.521 -4.834 -5.838 502 HG11 VAL 59 HG11 VAL 59 3.497 -4.487 -3.773 503 HG12 VAL 59 HG12 VAL 59 5.200 -4.683 -3.359 504 HG13 VAL 59 HG13 VAL 59 4.484 -3.072 -3.412 505 HG21 VAL 59 HG21 VAL 59 4.884 -1.968 -6.166 506 HG22 VAL 59 HG22 VAL 59 3.704 -3.051 -6.905 507 HG23 VAL 59 HG23 VAL 59 3.397 -2.369 -5.307 508 H GLN 60 H GLN 60 6.791 -5.833 -6.988 509 HA GLN 60 HA GLN 60 7.116 -7.875 -5.121 510 HB2 GLN 60 HB2 GLN 60 7.849 -7.523 -7.991 511 HB3 GLN 60 HB3 GLN 60 8.522 -8.896 -7.121 512 HG2 GLN 60 HG2 GLN 60 5.583 -8.281 -7.285 513 HG3 GLN 60 HG3 GLN 60 6.430 -9.383 -8.370 514 HE21 GLN 60 HE21 GLN 60 7.920 -10.940 -6.984 515 HE22 GLN 60 HE22 GLN 60 7.077 -11.764 -5.723 516 H LYS 61 H LYS 61 9.602 -5.981 -6.824 517 HA LYS 61 HA LYS 61 11.844 -7.177 -5.682 518 HB2 LYS 61 HB2 LYS 61 11.603 -5.384 -7.580 519 HB3 LYS 61 HB3 LYS 61 11.810 -4.238 -6.262 520 HG2 LYS 61 HG2 LYS 61 13.935 -5.390 -5.677 521 HG3 LYS 61 HG3 LYS 61 13.738 -6.383 -7.123 522 HD2 LYS 61 HD2 LYS 61 13.399 -3.814 -8.067 523 HD3 LYS 61 HD3 LYS 61 14.667 -3.634 -6.852 524 HE2 LYS 61 HE2 LYS 61 15.723 -5.698 -8.001 525 HE3 LYS 61 HE3 LYS 61 14.653 -5.300 -9.343 526 HZ1 LYS 61 HZ1 LYS 61 16.259 -3.925 -9.987 527 HZ2 LYS 61 HZ2 LYS 61 15.804 -2.921 -8.702 528 HZ3 LYS 61 HZ3 LYS 61 17.074 -4.021 -8.507 529 H VAL 62 H VAL 62 10.465 -4.022 -4.736 530 HA VAL 62 HA VAL 62 11.915 -3.638 -2.423 531 HB VAL 62 HB VAL 62 9.026 -2.844 -2.802 532 HG11 VAL 62 HG11 VAL 62 11.132 -2.156 -0.845 533 HG12 VAL 62 HG12 VAL 62 10.135 -0.826 -1.434 534 HG13 VAL 62 HG13 VAL 62 9.380 -2.215 -0.655 535 HG21 VAL 62 HG21 VAL 62 10.231 -0.642 -3.524 536 HG22 VAL 62 HG22 VAL 62 11.568 -1.729 -3.901 537 HG23 VAL 62 HG23 VAL 62 10.004 -1.947 -4.688 538 H LYS 63 H LYS 63 8.744 -5.222 -2.743 539 HA LYS 63 HA LYS 63 8.258 -5.808 -0.091 540 HB2 LYS 63 HB2 LYS 63 6.512 -6.274 -1.581 541 HB3 LYS 63 HB3 LYS 63 7.545 -7.226 -2.640 542 HG2 LYS 63 HG2 LYS 63 7.321 -8.321 0.053 543 HG3 LYS 63 HG3 LYS 63 5.782 -8.227 -0.808 544 HD2 LYS 63 HD2 LYS 63 7.150 -9.272 -2.773 545 HD3 LYS 63 HD3 LYS 63 8.248 -9.773 -1.485 546 HE2 LYS 63 HE2 LYS 63 6.612 -11.092 -0.452 547 HE3 LYS 63 HE3 LYS 63 5.299 -10.303 -1.325 548 HZ1 LYS 63 HZ1 LYS 63 6.694 -11.317 -3.346 549 HZ2 LYS 63 HZ2 LYS 63 7.041 -12.471 -2.159 550 HZ3 LYS 63 HZ3 LYS 63 5.434 -12.148 -2.581 551 H GLN 64 H GLN 64 10.226 -7.597 -2.421 552 HA GLN 64 HA GLN 64 10.758 -9.860 -0.881 553 HB2 GLN 64 HB2 GLN 64 11.769 -8.665 -3.297 554 HB3 GLN 64 HB3 GLN 64 13.102 -9.294 -2.337 555 HG2 GLN 64 HG2 GLN 64 10.669 -10.863 -3.162 556 HG3 GLN 64 HG3 GLN 64 12.240 -10.920 -3.960 557 HE21 GLN 64 HE21 GLN 64 10.312 -12.459 -1.817 558 HE22 GLN 64 HE22 GLN 64 11.503 -13.322 -0.910 559 H GLU 65 H GLU 65 12.487 -6.767 -1.053 560 HA GLU 65 HA GLU 65 14.330 -7.596 1.031 561 HB2 GLU 65 HB2 GLU 65 14.063 -4.894 -0.295 562 HB3 GLU 65 HB3 GLU 65 15.414 -5.460 0.677 563 HG2 GLU 65 HG2 GLU 65 15.660 -7.303 -1.084 564 HG3 GLU 65 HG3 GLU 65 14.608 -6.300 -2.081 565 H ALA 66 H ALA 66 11.236 -6.561 1.032 566 HA ALA 66 HA ALA 66 11.501 -4.853 3.399 567 HB1 ALA 66 HB1 ALA 66 8.981 -5.472 1.872 568 HB2 ALA 66 HB2 ALA 66 9.251 -4.172 3.033 569 HB3 ALA 66 HB3 ALA 66 10.064 -4.141 1.467 570 H ASN 67 H ASN 67 10.501 -8.013 2.394 571 HA ASN 67 HA ASN 67 9.952 -9.870 3.595 572 HB2 ASN 67 HB2 ASN 67 11.586 -8.664 5.283 573 HB3 ASN 67 HB3 ASN 67 10.103 -8.401 6.195 574 HD21 ASN 67 HD21 ASN 67 10.549 -9.745 7.868 575 HD22 ASN 67 HD22 ASN 67 10.688 -11.460 7.710 576 H VAL 68 H VAL 68 7.903 -8.567 2.508 577 HA VAL 68 HA VAL 68 5.773 -8.973 4.464 578 HB VAL 68 HB VAL 68 4.585 -6.928 3.675 579 HG11 VAL 68 HG11 VAL 68 7.233 -6.600 5.072 580 HG12 VAL 68 HG12 VAL 68 6.017 -5.326 4.972 581 HG13 VAL 68 HG13 VAL 68 5.646 -6.837 5.805 582 HG21 VAL 68 HG21 VAL 68 6.800 -6.839 1.865 583 HG22 VAL 68 HG22 VAL 68 5.346 -5.842 1.893 584 HG23 VAL 68 HG23 VAL 68 6.763 -5.359 2.825 585 H GLN 69 H GLN 69 3.565 -8.733 3.260 586 HA GLN 69 HA GLN 69 3.806 -10.294 0.785 587 HB2 GLN 69 HB2 GLN 69 2.168 -10.552 3.087 588 HB3 GLN 69 HB3 GLN 69 1.111 -10.153 1.740 589 HG2 GLN 69 HG2 GLN 69 1.115 -12.379 1.449 590 HG3 GLN 69 HG3 GLN 69 2.611 -12.042 0.578 591 HE21 GLN 69 HE21 GLN 69 1.395 -14.223 2.481 592 HE22 GLN 69 HE22 GLN 69 2.748 -14.635 3.471 593 H VAL 70 H VAL 70 2.973 -9.605 -1.114 594 HA VAL 70 HA VAL 70 2.005 -6.848 -1.204 595 HB VAL 70 HB VAL 70 2.892 -8.681 -3.436 596 HG11 VAL 70 HG11 VAL 70 1.448 -7.249 -4.520 597 HG12 VAL 70 HG12 VAL 70 1.771 -5.914 -3.414 598 HG13 VAL 70 HG13 VAL 70 2.967 -6.360 -4.631 599 HG21 VAL 70 HG21 VAL 70 4.286 -6.792 -1.673 600 HG22 VAL 70 HG22 VAL 70 4.914 -8.148 -2.610 601 HG23 VAL 70 HG23 VAL 70 4.630 -6.592 -3.392 602 H TYR 71 H TYR 71 -0.078 -6.399 -1.435 603 HA TYR 71 HA TYR 71 -1.845 -8.471 -2.563 604 HB2 TYR 71 HB2 TYR 71 -2.175 -6.658 -0.213 605 HB3 TYR 71 HB3 TYR 71 -3.606 -7.097 -1.139 606 HD1 TYR 71 HD1 TYR 71 -0.576 -8.974 0.002 607 HD2 TYR 71 HD2 TYR 71 -4.822 -8.730 -0.065 608 HE1 TYR 71 HE1 TYR 71 -0.711 -11.100 1.233 609 HE2 TYR 71 HE2 TYR 71 -4.970 -10.854 1.166 610 HH TYR 71 HH TYR 71 -2.112 -12.785 1.846 611 H ARG 72 H ARG 72 -0.800 -6.991 -4.439 612 HA ARG 72 HA ARG 72 -1.714 -4.474 -5.035 613 HB2 ARG 72 HB2 ARG 72 -1.545 -5.183 -7.453 614 HB3 ARG 72 HB3 ARG 72 -0.113 -5.481 -6.476 615 HG2 ARG 72 HG2 ARG 72 -0.431 -7.772 -6.471 616 HG3 ARG 72 HG3 ARG 72 -2.148 -7.634 -6.854 617 HD2 ARG 72 HD2 ARG 72 -1.087 -6.483 -9.042 618 HD3 ARG 72 HD3 ARG 72 0.207 -7.609 -8.634 619 HE ARG 72 HE ARG 72 -2.314 -8.906 -8.590 620 HH11 ARG 72 HH11 ARG 72 0.111 -7.660 -10.755 621 HH12 ARG 72 HH12 ARG 72 -0.283 -8.756 -12.037 622 HH21 ARG 72 HH21 ARG 72 -2.843 -10.355 -10.271 623 HH22 ARG 72 HH22 ARG 72 -1.964 -10.288 -11.761 624 H VAL 73 H VAL 73 -3.394 -3.775 -6.567 625 HA VAL 73 HA VAL 73 -5.714 -5.503 -6.835 626 HB VAL 73 HB VAL 73 -7.270 -3.999 -5.774 627 HG11 VAL 73 HG11 VAL 73 -6.076 -5.709 -4.398 628 HG12 VAL 73 HG12 VAL 73 -4.976 -4.437 -3.870 629 HG13 VAL 73 HG13 VAL 73 -6.692 -4.336 -3.478 630 HG21 VAL 73 HG21 VAL 73 -5.809 -2.186 -4.301 631 HG22 VAL 73 HG22 VAL 73 -5.010 -2.171 -5.872 632 HG23 VAL 73 HG23 VAL 73 -6.737 -1.830 -5.758 633 H THR 74 H THR 74 -7.284 -4.703 -8.322 634 HA THR 74 HA THR 74 -6.236 -2.585 -10.085 635 HB THR 74 HB THR 74 -6.248 -4.808 -11.148 636 HG1 THR 74 HG1 THR 74 -7.475 -4.133 -12.998 637 HG21 THR 74 HG21 THR 74 -9.253 -4.721 -10.940 638 HG22 THR 74 HG22 THR 74 -8.242 -6.035 -11.542 639 HG23 THR 74 HG23 THR 74 -8.239 -5.636 -9.824 640 H SER 75 H SER 75 -9.060 -3.885 -8.470 641 HA SER 75 HA SER 75 -10.625 -1.562 -9.378 642 HB2 SER 75 HB2 SER 75 -11.289 -4.253 -9.442 643 HB3 SER 75 HB3 SER 75 -12.136 -3.656 -8.015 644 HG SER 75 HG SER 75 -12.263 -2.164 -10.381 645 H ASN 76 H ASN 76 -12.228 -0.746 -7.756 646 HA ASN 76 HA ASN 76 -10.867 -0.054 -5.351 647 HB2 ASN 76 HB2 ASN 76 -13.511 0.587 -6.574 648 HB3 ASN 76 HB3 ASN 76 -13.306 0.881 -4.850 649 HD21 ASN 76 HD21 ASN 76 -11.710 2.364 -4.167 650 HD22 ASN 76 HD22 ASN 76 -11.127 3.593 -5.232 651 H ASP 77 H ASP 77 -13.373 -2.349 -6.192 652 HA ASP 77 HA ASP 77 -14.355 -2.951 -3.651 653 HB2 ASP 77 HB2 ASP 77 -14.593 -4.014 -6.280 654 HB3 ASP 77 HB3 ASP 77 -14.232 -5.353 -5.193 655 H GLU 78 H GLU 78 -11.373 -3.841 -5.203 656 HA GLU 78 HA GLU 78 -10.734 -5.982 -3.409 657 HB2 GLU 78 HB2 GLU 78 -9.184 -4.440 -5.472 658 HB3 GLU 78 HB3 GLU 78 -8.382 -5.584 -4.405 659 HG2 GLU 78 HG2 GLU 78 -10.680 -6.840 -5.511 660 HG3 GLU 78 HG3 GLU 78 -9.757 -6.093 -6.816 661 H VAL 79 H VAL 79 -10.196 -2.534 -3.497 662 HA VAL 79 HA VAL 79 -8.160 -2.425 -1.525 663 HB VAL 79 HB VAL 79 -10.149 -0.306 -2.351 664 HG11 VAL 79 HG11 VAL 79 -9.282 0.280 -0.207 665 HG12 VAL 79 HG12 VAL 79 -7.640 -0.142 -0.693 666 HG13 VAL 79 HG13 VAL 79 -8.437 1.260 -1.406 667 HG21 VAL 79 HG21 VAL 79 -8.572 -1.263 -4.103 668 HG22 VAL 79 HG22 VAL 79 -8.531 0.485 -3.868 669 HG23 VAL 79 HG23 VAL 79 -7.266 -0.527 -3.172 670 H GLU 80 H GLU 80 -11.664 -1.795 -1.343 671 HA GLU 80 HA GLU 80 -11.702 -1.428 1.463 672 HB2 GLU 80 HB2 GLU 80 -14.133 -1.598 1.264 673 HB3 GLU 80 HB3 GLU 80 -13.471 -0.565 0.004 674 HG2 GLU 80 HG2 GLU 80 -14.947 -1.802 -1.210 675 HG3 GLU 80 HG3 GLU 80 -13.493 -2.782 -1.391 676 H GLN 81 H GLN 81 -11.963 -4.238 -0.595 677 HA GLN 81 HA GLN 81 -12.987 -6.018 1.362 678 HB2 GLN 81 HB2 GLN 81 -13.189 -6.562 -0.981 679 HB3 GLN 81 HB3 GLN 81 -11.442 -6.522 -1.183 680 HG2 GLN 81 HG2 GLN 81 -11.182 -8.484 0.171 681 HG3 GLN 81 HG3 GLN 81 -12.898 -8.480 0.577 682 HE21 GLN 81 HE21 GLN 81 -13.582 -10.331 -0.301 683 HE22 GLN 81 HE22 GLN 81 -13.443 -10.745 -1.973 684 H VAL 82 H VAL 82 -9.694 -5.500 0.108 685 HA VAL 82 HA VAL 82 -8.365 -7.336 1.716 686 HB VAL 82 HB VAL 82 -7.400 -4.703 0.601 687 HG11 VAL 82 HG11 VAL 82 -6.120 -6.539 2.457 688 HG12 VAL 82 HG12 VAL 82 -5.181 -6.294 0.983 689 HG13 VAL 82 HG13 VAL 82 -5.651 -4.910 1.971 690 HG21 VAL 82 HG21 VAL 82 -6.877 -5.808 -1.291 691 HG22 VAL 82 HG22 VAL 82 -6.382 -7.264 -0.426 692 HG23 VAL 82 HG23 VAL 82 -8.093 -6.957 -0.732 693 H VAL 83 H VAL 83 -8.926 -3.870 2.314 694 HA VAL 83 HA VAL 83 -7.708 -3.830 4.864 695 HB VAL 83 HB VAL 83 -8.055 -1.776 3.606 696 HG11 VAL 83 HG11 VAL 83 -10.985 -1.881 4.211 697 HG12 VAL 83 HG12 VAL 83 -10.124 -0.886 3.038 698 HG13 VAL 83 HG13 VAL 83 -10.341 -2.611 2.741 699 HG21 VAL 83 HG21 VAL 83 -9.747 -1.590 6.084 700 HG22 VAL 83 HG22 VAL 83 -8.001 -1.833 6.150 701 HG23 VAL 83 HG23 VAL 83 -8.661 -0.379 5.401 702 H LYS 84 H LYS 84 -11.040 -4.325 3.803 703 HA LYS 84 HA LYS 84 -12.414 -4.184 6.171 704 HB2 LYS 84 HB2 LYS 84 -13.617 -4.560 4.147 705 HB3 LYS 84 HB3 LYS 84 -12.762 -6.067 3.841 706 HG2 LYS 84 HG2 LYS 84 -14.069 -7.258 5.253 707 HG3 LYS 84 HG3 LYS 84 -14.312 -5.900 6.353 708 HD2 LYS 84 HD2 LYS 84 -16.389 -5.908 5.463 709 HD3 LYS 84 HD3 LYS 84 -15.609 -4.982 4.177 710 HE2 LYS 84 HE2 LYS 84 -16.236 -6.553 2.737 711 HE3 LYS 84 HE3 LYS 84 -15.170 -7.686 3.568 712 HZ1 LYS 84 HZ1 LYS 84 -17.257 -8.693 3.595 713 HZ2 LYS 84 HZ2 LYS 84 -17.113 -8.029 5.144 714 HZ3 LYS 84 HZ3 LYS 84 -18.065 -7.257 3.977 715 H ASP 85 H ASP 85 -11.308 -7.294 4.820 716 HA ASP 85 HA ASP 85 -11.557 -8.649 7.302 717 HB2 ASP 85 HB2 ASP 85 -10.920 -9.322 4.576 718 HB3 ASP 85 HB3 ASP 85 -9.774 -10.099 5.667 719 H VAL 86 H VAL 86 -8.993 -6.877 5.774 720 HA VAL 86 HA VAL 86 -6.987 -6.143 6.581 721 HB VAL 86 HB VAL 86 -7.605 -7.585 9.156 722 HG11 VAL 86 HG11 VAL 86 -5.853 -5.213 8.523 723 HG12 VAL 86 HG12 VAL 86 -6.145 -5.868 10.134 724 HG13 VAL 86 HG13 VAL 86 -5.304 -6.840 8.926 725 HG21 VAL 86 HG21 VAL 86 -9.472 -6.100 8.508 726 HG22 VAL 86 HG22 VAL 86 -8.636 -5.552 9.963 727 HG23 VAL 86 HG23 VAL 86 -8.337 -4.753 8.420 728 H LYS 87 H LYS 87 -7.347 -9.259 8.270 729 HA LYS 87 HA LYS 87 -4.864 -10.151 6.972 730 HB2 LYS 87 HB2 LYS 87 -4.756 -11.822 8.813 731 HB3 LYS 87 HB3 LYS 87 -4.706 -10.156 9.375 732 HG2 LYS 87 HG2 LYS 87 -6.450 -10.515 10.686 733 HG3 LYS 87 HG3 LYS 87 -7.422 -11.024 9.302 734 HD2 LYS 87 HD2 LYS 87 -6.694 -13.290 9.539 735 HD3 LYS 87 HD3 LYS 87 -5.497 -12.835 10.753 736 HE2 LYS 87 HE2 LYS 87 -7.845 -11.870 11.809 737 HE3 LYS 87 HE3 LYS 87 -8.352 -13.372 11.037 738 HZ1 LYS 87 HZ1 LYS 87 -6.042 -14.028 12.332 739 HZ2 LYS 87 HZ2 LYS 87 -6.816 -12.985 13.415 740 HZ3 LYS 87 HZ3 LYS 87 -7.612 -14.372 12.862 741 H GLY 88 H GLY 88 -4.733 -12.522 6.510 742 HA2 GLY 88 HA2 GLY 88 -5.886 -14.586 6.035 743 HA3 GLY 88 HA3 GLY 88 -7.349 -13.650 5.759 744 H SER 89 H SER 89 -6.201 -15.604 3.999 745 HA SER 89 HA SER 89 -5.269 -13.942 1.759 746 HB2 SER 89 HB2 SER 89 -5.040 -16.569 0.935 747 HB3 SER 89 HB3 SER 89 -3.738 -15.588 1.608 748 HG SER 89 HG SER 89 -4.244 -17.723 2.622 749 H GLY 90 H GLY 90 -6.368 -13.852 -0.152 750 HA2 GLY 90 HA2 GLY 90 -9.146 -14.654 -0.073 751 HA3 GLY 90 HA3 GLY 90 -8.363 -13.717 -1.337 752 H LEU 91 H LEU 91 -9.211 -14.882 -3.039 753 HA LEU 91 HA LEU 91 -8.419 -17.713 -3.199 754 HB2 LEU 91 HB2 LEU 91 -10.209 -18.044 -4.755 755 HB3 LEU 91 HB3 LEU 91 -10.842 -17.254 -3.311 756 HG LEU 91 HG LEU 91 -10.396 -15.096 -4.854 757 HD11 LEU 91 HD11 LEU 91 -11.524 -16.038 -7.097 758 HD12 LEU 91 HD12 LEU 91 -9.783 -15.840 -6.894 759 HD13 LEU 91 HD13 LEU 91 -10.523 -17.424 -6.662 760 HD21 LEU 91 HD21 LEU 91 -12.472 -15.520 -3.750 761 HD22 LEU 91 HD22 LEU 91 -12.813 -15.255 -5.460 762 HD23 LEU 91 HD23 LEU 91 -12.815 -16.892 -4.804 763 H GLU 92 H GLU 92 -7.489 -18.505 -5.113 764 HA GLU 92 HA GLU 92 -6.899 -16.777 -7.321 765 HB2 GLU 92 HB2 GLU 92 -5.203 -16.371 -5.284 766 HB3 GLU 92 HB3 GLU 92 -4.409 -17.752 -6.029 767 HG2 GLU 92 HG2 GLU 92 -3.714 -16.566 -7.798 768 HG3 GLU 92 HG3 GLU 92 -5.211 -15.640 -7.898 769 H HIS 93 H HIS 93 -5.325 -17.911 -8.867 770 HA HIS 93 HA HIS 93 -5.636 -20.831 -8.675 771 HB2 HIS 93 HB2 HIS 93 -6.157 -19.084 -11.086 772 HB3 HIS 93 HB3 HIS 93 -6.015 -20.838 -11.160 773 HD1 HIS 93 HD1 HIS 93 -8.478 -18.279 -10.903 774 HD2 HIS 93 HD2 HIS 93 -8.040 -22.087 -9.300 775 HE1 HIS 93 HE1 HIS 93 -10.784 -18.973 -10.180 776 H HIS 94 H HIS 94 -3.981 -22.071 -9.539 777 HA HIS 94 HA HIS 94 -1.410 -20.849 -9.591 778 HB2 HIS 94 HB2 HIS 94 -2.257 -23.654 -10.344 779 HB3 HIS 94 HB3 HIS 94 -0.591 -23.122 -10.133 780 HD1 HIS 94 HD1 HIS 94 0.334 -23.179 -7.806 781 HD2 HIS 94 HD2 HIS 94 -3.796 -23.622 -7.886 782 HE1 HIS 94 HE1 HIS 94 -0.327 -23.756 -5.449 783 H HIS 95 H HIS 95 0.063 -20.699 -11.315 784 HA HIS 95 HA HIS 95 -0.955 -19.744 -13.725 785 HB2 HIS 95 HB2 HIS 95 1.304 -19.658 -14.503 786 HB3 HIS 95 HB3 HIS 95 1.344 -19.318 -12.776 787 HD1 HIS 95 HD1 HIS 95 1.378 -22.114 -11.603 788 HD2 HIS 95 HD2 HIS 95 3.615 -21.006 -14.925 789 HE1 HIS 95 HE1 HIS 95 3.278 -23.757 -11.713 790 H HIS 96 H HIS 96 0.001 -20.736 -15.902 791 HA HIS 96 HA HIS 96 -0.215 -23.619 -16.024 792 HB2 HIS 96 HB2 HIS 96 -2.557 -22.208 -16.270 793 HB3 HIS 96 HB3 HIS 96 -2.051 -22.378 -17.947 794 HD1 HIS 96 HD1 HIS 96 -1.417 -25.004 -18.588 795 HD2 HIS 96 HD2 HIS 96 -3.946 -24.338 -15.358 796 HE1 HIS 96 HE1 HIS 96 -2.611 -27.184 -18.207 797 H HIS 97 H HIS 97 0.887 -24.458 -17.719 798 HA HIS 97 HA HIS 97 2.717 -22.885 -19.123 799 HB2 HIS 97 HB2 HIS 97 1.946 -25.686 -19.039 800 HB3 HIS 97 HB3 HIS 97 2.384 -25.182 -20.668 801 HD1 HIS 97 HD1 HIS 97 3.972 -26.975 -18.353 802 HD2 HIS 97 HD2 HIS 97 4.926 -23.253 -19.934 803 HE1 HIS 97 HE1 HIS 97 6.444 -26.701 -17.982 804 H HIS 98 H HIS 98 2.893 -22.744 -21.529 805 HA HIS 98 HA HIS 98 0.257 -22.287 -22.763 806 HB2 HIS 98 HB2 HIS 98 2.593 -20.487 -22.512 807 HB3 HIS 98 HB3 HIS 98 1.802 -20.506 -24.086 808 HD1 HIS 98 HD1 HIS 98 1.406 -19.301 -20.617 809 HD2 HIS 98 HD2 HIS 98 -0.905 -19.597 -24.056 810 HE1 HIS 98 HE1 HIS 98 -0.591 -17.828 -20.213 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -3.684 -8.007 13.596 2 HA2 GLY 1 HA2 GLY 1 -2.198 -7.956 11.843 3 HA3 GLY 1 HA3 GLY 1 -3.629 -8.159 10.844 4 H ARG 2 H ARG 2 -1.046 -6.531 10.646 5 HA ARG 2 HA ARG 2 -2.152 -3.836 10.421 6 HB2 ARG 2 HB2 ARG 2 0.504 -4.973 10.824 7 HB3 ARG 2 HB3 ARG 2 0.487 -3.726 9.583 8 HG2 ARG 2 HG2 ARG 2 0.712 -2.287 11.265 9 HG3 ARG 2 HG3 ARG 2 -0.997 -2.589 11.584 10 HD2 ARG 2 HD2 ARG 2 1.043 -4.429 12.743 11 HD3 ARG 2 HD3 ARG 2 0.803 -2.846 13.481 12 HE ARG 2 HE ARG 2 -0.932 -5.100 13.663 13 HH11 ARG 2 HH11 ARG 2 -0.865 -1.620 13.583 14 HH12 ARG 2 HH12 ARG 2 -2.346 -1.442 14.465 15 HH21 ARG 2 HH21 ARG 2 -2.883 -4.878 14.824 16 HH22 ARG 2 HH22 ARG 2 -3.492 -3.295 15.170 17 H VAL 3 H VAL 3 -2.030 -2.626 8.486 18 HA VAL 3 HA VAL 3 -1.223 -3.890 6.026 19 HB VAL 3 HB VAL 3 -3.438 -4.886 6.297 20 HG11 VAL 3 HG11 VAL 3 -4.587 -2.107 6.198 21 HG12 VAL 3 HG12 VAL 3 -5.433 -3.626 6.494 22 HG13 VAL 3 HG13 VAL 3 -4.321 -2.985 7.705 23 HG21 VAL 3 HG21 VAL 3 -2.464 -3.824 4.059 24 HG22 VAL 3 HG22 VAL 3 -4.039 -4.615 4.118 25 HG23 VAL 3 HG23 VAL 3 -3.932 -2.856 4.191 26 H VAL 4 H VAL 4 -1.113 -2.444 4.273 27 HA VAL 4 HA VAL 4 -1.740 0.365 4.870 28 HB VAL 4 HB VAL 4 0.844 -0.539 3.596 29 HG11 VAL 4 HG11 VAL 4 0.805 1.557 2.813 30 HG12 VAL 4 HG12 VAL 4 -0.497 2.037 3.902 31 HG13 VAL 4 HG13 VAL 4 1.172 2.036 4.470 32 HG21 VAL 4 HG21 VAL 4 1.950 0.074 5.648 33 HG22 VAL 4 HG22 VAL 4 0.420 0.580 6.364 34 HG23 VAL 4 HG23 VAL 4 0.703 -1.122 6.002 35 H VAL 5 H VAL 5 -2.545 1.521 3.196 36 HA VAL 5 HA VAL 5 -2.927 0.080 0.664 37 HB VAL 5 HB VAL 5 -4.404 2.494 1.724 38 HG11 VAL 5 HG11 VAL 5 -4.469 2.559 -0.645 39 HG12 VAL 5 HG12 VAL 5 -4.762 0.823 -0.754 40 HG13 VAL 5 HG13 VAL 5 -6.014 1.891 -0.119 41 HG21 VAL 5 HG21 VAL 5 -4.823 -0.416 2.000 42 HG22 VAL 5 HG22 VAL 5 -5.309 0.908 3.059 43 HG23 VAL 5 HG23 VAL 5 -6.251 0.544 1.614 44 H VAL 6 H VAL 6 -2.084 0.801 -1.198 45 HA VAL 6 HA VAL 6 -0.895 3.495 -1.244 46 HB VAL 6 HB VAL 6 0.352 0.999 -2.404 47 HG11 VAL 6 HG11 VAL 6 1.082 2.593 -3.867 48 HG12 VAL 6 HG12 VAL 6 0.942 3.898 -2.688 49 HG13 VAL 6 HG13 VAL 6 2.298 2.773 -2.602 50 HG21 VAL 6 HG21 VAL 6 0.567 2.273 0.185 51 HG22 VAL 6 HG22 VAL 6 1.202 0.722 -0.363 52 HG23 VAL 6 HG23 VAL 6 2.126 2.200 -0.637 53 H VAL 7 H VAL 7 -0.980 4.592 -3.193 54 HA VAL 7 HA VAL 7 -2.426 3.273 -5.390 55 HB VAL 7 HB VAL 7 -3.653 5.373 -5.817 56 HG11 VAL 7 HG11 VAL 7 -4.977 3.849 -4.696 57 HG12 VAL 7 HG12 VAL 7 -3.984 3.898 -3.239 58 HG13 VAL 7 HG13 VAL 7 -5.052 5.247 -3.624 59 HG21 VAL 7 HG21 VAL 7 -2.115 6.256 -3.417 60 HG22 VAL 7 HG22 VAL 7 -2.453 7.120 -4.916 61 HG23 VAL 7 HG23 VAL 7 -3.721 6.922 -3.707 62 H THR 8 H THR 8 -2.307 4.659 -7.436 63 HA THR 8 HA THR 8 0.481 5.504 -7.766 64 HB THR 8 HB THR 8 -0.492 5.458 -10.299 65 HG1 THR 8 HG1 THR 8 -2.078 4.015 -10.504 66 HG21 THR 8 HG21 THR 8 1.488 4.250 -9.162 67 HG22 THR 8 HG22 THR 8 0.370 2.896 -8.995 68 HG23 THR 8 HG23 THR 8 0.770 3.516 -10.596 69 H SER 9 H SER 9 -2.745 6.698 -7.753 70 HA SER 9 HA SER 9 -1.784 9.300 -8.754 71 HB2 SER 9 HB2 SER 9 -4.250 7.770 -9.339 72 HB3 SER 9 HB3 SER 9 -4.465 9.502 -9.082 73 HG SER 9 HG SER 9 -3.220 9.929 -10.806 74 H GLU 10 H GLU 10 -2.403 11.151 -7.651 75 HA GLU 10 HA GLU 10 -2.728 10.923 -4.870 76 HB2 GLU 10 HB2 GLU 10 -2.975 13.346 -4.867 77 HB3 GLU 10 HB3 GLU 10 -1.680 12.865 -5.954 78 HG2 GLU 10 HG2 GLU 10 -3.362 13.040 -7.828 79 HG3 GLU 10 HG3 GLU 10 -4.436 13.816 -6.667 80 H GLN 11 H GLN 11 -5.030 11.344 -7.475 81 HA GLN 11 HA GLN 11 -7.265 12.182 -6.051 82 HB2 GLN 11 HB2 GLN 11 -6.734 10.957 -8.640 83 HB3 GLN 11 HB3 GLN 11 -8.278 10.449 -7.968 84 HG2 GLN 11 HG2 GLN 11 -8.869 12.837 -7.658 85 HG3 GLN 11 HG3 GLN 11 -7.372 13.271 -8.482 86 HE21 GLN 11 HE21 GLN 11 -7.709 13.842 -10.494 87 HE22 GLN 11 HE22 GLN 11 -8.870 13.156 -11.573 88 H VAL 12 H VAL 12 -6.235 8.855 -6.793 89 HA VAL 12 HA VAL 12 -8.318 7.567 -5.411 90 HB VAL 12 HB VAL 12 -5.539 6.456 -5.784 91 HG11 VAL 12 HG11 VAL 12 -7.031 5.146 -4.359 92 HG12 VAL 12 HG12 VAL 12 -8.244 5.126 -5.640 93 HG13 VAL 12 HG13 VAL 12 -6.699 4.308 -5.876 94 HG21 VAL 12 HG21 VAL 12 -5.860 6.847 -7.972 95 HG22 VAL 12 HG22 VAL 12 -6.983 5.490 -7.882 96 HG23 VAL 12 HG23 VAL 12 -7.587 7.143 -7.766 97 H LYS 13 H LYS 13 -5.177 8.753 -4.366 98 HA LYS 13 HA LYS 13 -5.044 7.507 -1.865 99 HB2 LYS 13 HB2 LYS 13 -3.162 8.711 -2.929 100 HB3 LYS 13 HB3 LYS 13 -3.991 10.235 -2.637 101 HG2 LYS 13 HG2 LYS 13 -3.795 8.772 -0.188 102 HG3 LYS 13 HG3 LYS 13 -2.205 8.886 -0.945 103 HD2 LYS 13 HD2 LYS 13 -2.612 11.348 -1.209 104 HD3 LYS 13 HD3 LYS 13 -4.065 11.147 -0.226 105 HE2 LYS 13 HE2 LYS 13 -2.497 10.064 1.498 106 HE3 LYS 13 HE3 LYS 13 -1.190 10.787 0.562 107 HZ1 LYS 13 HZ1 LYS 13 -1.941 12.172 2.441 108 HZ2 LYS 13 HZ2 LYS 13 -2.096 12.952 0.948 109 HZ3 LYS 13 HZ3 LYS 13 -3.462 12.312 1.714 110 H GLU 14 H GLU 14 -6.321 10.715 -2.736 111 HA GLU 14 HA GLU 14 -7.134 11.488 -0.179 112 HB2 GLU 14 HB2 GLU 14 -8.171 12.216 -2.914 113 HB3 GLU 14 HB3 GLU 14 -8.797 12.947 -1.443 114 HG2 GLU 14 HG2 GLU 14 -5.997 13.142 -1.304 115 HG3 GLU 14 HG3 GLU 14 -6.458 13.611 -2.938 116 H GLU 15 H GLU 15 -8.838 9.647 -2.671 117 HA GLU 15 HA GLU 15 -11.324 9.516 -1.338 118 HB2 GLU 15 HB2 GLU 15 -10.186 7.516 -3.296 119 HB3 GLU 15 HB3 GLU 15 -11.884 7.756 -2.904 120 HG2 GLU 15 HG2 GLU 15 -10.895 10.252 -3.733 121 HG3 GLU 15 HG3 GLU 15 -10.282 9.057 -4.875 122 H VAL 16 H VAL 16 -8.461 7.463 -1.274 123 HA VAL 16 HA VAL 16 -9.632 5.395 0.298 124 HB VAL 16 HB VAL 16 -6.720 6.093 -0.110 125 HG11 VAL 16 HG11 VAL 16 -6.271 3.802 0.634 126 HG12 VAL 16 HG12 VAL 16 -7.045 4.756 1.900 127 HG13 VAL 16 HG13 VAL 16 -7.985 3.581 0.982 128 HG21 VAL 16 HG21 VAL 16 -6.805 5.042 -2.077 129 HG22 VAL 16 HG22 VAL 16 -7.728 3.698 -1.404 130 HG23 VAL 16 HG23 VAL 16 -8.560 5.155 -1.950 131 H ARG 17 H ARG 17 -7.389 8.051 1.079 132 HA ARG 17 HA ARG 17 -7.148 7.564 3.806 133 HB2 ARG 17 HB2 ARG 17 -5.803 9.195 2.449 134 HB3 ARG 17 HB3 ARG 17 -7.177 10.289 2.506 135 HG2 ARG 17 HG2 ARG 17 -6.629 9.484 5.159 136 HG3 ARG 17 HG3 ARG 17 -5.098 9.937 4.407 137 HD2 ARG 17 HD2 ARG 17 -5.994 12.086 3.779 138 HD3 ARG 17 HD3 ARG 17 -7.591 11.631 4.370 139 HE ARG 17 HE ARG 17 -6.907 12.129 6.497 140 HH11 ARG 17 HH11 ARG 17 -4.115 11.850 4.436 141 HH12 ARG 17 HH12 ARG 17 -3.008 12.425 5.638 142 HH21 ARG 17 HH21 ARG 17 -5.460 12.887 8.088 143 HH22 ARG 17 HH22 ARG 17 -3.774 13.015 7.715 144 H LYS 18 H LYS 18 -9.697 9.137 2.004 145 HA LYS 18 HA LYS 18 -11.007 10.265 4.283 146 HB2 LYS 18 HB2 LYS 18 -11.227 11.077 1.900 147 HB3 LYS 18 HB3 LYS 18 -12.227 9.664 1.587 148 HG2 LYS 18 HG2 LYS 18 -13.616 10.538 3.606 149 HG3 LYS 18 HG3 LYS 18 -12.816 12.069 3.248 150 HD2 LYS 18 HD2 LYS 18 -14.467 12.395 1.772 151 HD3 LYS 18 HD3 LYS 18 -13.626 11.212 0.766 152 HE2 LYS 18 HE2 LYS 18 -14.967 9.433 1.951 153 HE3 LYS 18 HE3 LYS 18 -15.922 10.737 2.655 154 HZ1 LYS 18 HZ1 LYS 18 -17.113 10.841 0.809 155 HZ2 LYS 18 HZ2 LYS 18 -15.729 11.129 -0.122 156 HZ3 LYS 18 HZ3 LYS 18 -16.242 9.542 0.164 157 H LYS 19 H LYS 19 -11.409 7.327 2.360 158 HA LYS 19 HA LYS 19 -13.751 6.431 3.700 159 HB2 LYS 19 HB2 LYS 19 -12.850 5.700 1.411 160 HB3 LYS 19 HB3 LYS 19 -11.766 4.645 2.308 161 HG2 LYS 19 HG2 LYS 19 -13.382 3.126 2.208 162 HG3 LYS 19 HG3 LYS 19 -14.235 4.102 3.406 163 HD2 LYS 19 HD2 LYS 19 -15.172 5.410 1.427 164 HD3 LYS 19 HD3 LYS 19 -14.568 4.094 0.417 165 HE2 LYS 19 HE2 LYS 19 -16.427 2.961 0.853 166 HE3 LYS 19 HE3 LYS 19 -15.952 2.890 2.550 167 HZ1 LYS 19 HZ1 LYS 19 -18.211 3.973 1.783 168 HZ2 LYS 19 HZ2 LYS 19 -17.346 4.573 3.108 169 HZ3 LYS 19 HZ3 LYS 19 -17.231 5.342 1.605 170 H PHE 20 H PHE 20 -10.298 5.759 4.096 171 HA PHE 20 HA PHE 20 -10.925 4.548 6.706 172 HB2 PHE 20 HB2 PHE 20 -8.618 3.711 4.945 173 HB3 PHE 20 HB3 PHE 20 -9.177 2.933 6.423 174 HD1 PHE 20 HD1 PHE 20 -8.890 2.193 3.234 175 HD2 PHE 20 HD2 PHE 20 -12.041 2.742 6.043 176 HE1 PHE 20 HE1 PHE 20 -10.332 0.711 1.901 177 HE2 PHE 20 HE2 PHE 20 -13.487 1.260 4.715 178 HZ PHE 20 HZ PHE 20 -12.633 0.243 2.640 179 HA PRO 21 HA PRO 21 -8.136 8.189 7.307 180 HB2 PRO 21 HB2 PRO 21 -9.422 9.087 9.523 181 HB3 PRO 21 HB3 PRO 21 -9.921 9.515 7.883 182 HG2 PRO 21 HG2 PRO 21 -11.042 7.435 9.721 183 HG3 PRO 21 HG3 PRO 21 -11.899 8.586 8.678 184 HD2 PRO 21 HD2 PRO 21 -11.529 5.993 7.992 185 HD3 PRO 21 HD3 PRO 21 -11.587 7.299 6.791 186 H GLN 22 H GLN 22 -9.447 5.860 9.631 187 HA GLN 22 HA GLN 22 -7.401 6.232 11.572 188 HB2 GLN 22 HB2 GLN 22 -9.775 4.627 11.274 189 HB3 GLN 22 HB3 GLN 22 -8.449 3.637 11.866 190 HG2 GLN 22 HG2 GLN 22 -8.186 5.801 13.453 191 HG3 GLN 22 HG3 GLN 22 -9.929 5.806 13.182 192 HE21 GLN 22 HE21 GLN 22 -11.096 4.624 14.511 193 HE22 GLN 22 HE22 GLN 22 -10.528 3.298 15.462 194 H VAL 23 H VAL 23 -7.686 4.328 8.689 195 HA VAL 23 HA VAL 23 -5.481 2.578 9.348 196 HB VAL 23 HB VAL 23 -7.585 2.290 7.661 197 HG11 VAL 23 HG11 VAL 23 -6.411 3.989 6.148 198 HG12 VAL 23 HG12 VAL 23 -5.270 2.691 5.795 199 HG13 VAL 23 HG13 VAL 23 -6.979 2.492 5.410 200 HG21 VAL 23 HG21 VAL 23 -6.756 0.241 7.896 201 HG22 VAL 23 HG22 VAL 23 -5.606 0.606 6.610 202 HG23 VAL 23 HG23 VAL 23 -5.161 0.883 8.294 203 H GLU 24 H GLU 24 -3.600 2.398 7.864 204 HA GLU 24 HA GLU 24 -2.412 5.006 7.506 205 HB2 GLU 24 HB2 GLU 24 -1.396 2.187 7.256 206 HB3 GLU 24 HB3 GLU 24 -0.430 3.554 6.718 207 HG2 GLU 24 HG2 GLU 24 -1.559 3.604 9.466 208 HG3 GLU 24 HG3 GLU 24 -0.175 2.565 9.133 209 H VAL 25 H VAL 25 -2.064 6.057 5.637 210 HA VAL 25 HA VAL 25 -2.578 4.638 3.112 211 HB VAL 25 HB VAL 25 -4.597 5.888 3.592 212 HG11 VAL 25 HG11 VAL 25 -3.551 8.572 3.392 213 HG12 VAL 25 HG12 VAL 25 -4.621 7.869 4.606 214 HG13 VAL 25 HG13 VAL 25 -2.872 7.723 4.781 215 HG21 VAL 25 HG21 VAL 25 -3.467 7.711 1.590 216 HG22 VAL 25 HG22 VAL 25 -3.192 5.999 1.268 217 HG23 VAL 25 HG23 VAL 25 -4.835 6.604 1.476 218 H ARG 26 H ARG 26 -0.952 4.851 1.731 219 HA ARG 26 HA ARG 26 0.596 7.332 1.687 220 HB2 ARG 26 HB2 ARG 26 1.854 4.587 1.859 221 HB3 ARG 26 HB3 ARG 26 2.718 6.105 1.648 222 HG2 ARG 26 HG2 ARG 26 0.974 5.564 4.031 223 HG3 ARG 26 HG3 ARG 26 2.682 5.123 3.979 224 HD2 ARG 26 HD2 ARG 26 3.388 7.298 4.025 225 HD3 ARG 26 HD3 ARG 26 1.929 7.900 3.238 226 HE ARG 26 HE ARG 26 1.303 6.902 5.803 227 HH11 ARG 26 HH11 ARG 26 2.881 9.581 4.235 228 HH12 ARG 26 HH12 ARG 26 2.559 10.693 5.523 229 HH21 ARG 26 HH21 ARG 26 0.873 8.358 7.507 230 HH22 ARG 26 HH22 ARG 26 1.418 9.996 7.384 231 H VAL 27 H VAL 27 0.551 8.048 -0.330 232 HA VAL 27 HA VAL 27 0.116 6.186 -2.530 233 HB VAL 27 HB VAL 27 -1.289 8.135 -2.553 234 HG11 VAL 27 HG11 VAL 27 0.456 10.271 -3.108 235 HG12 VAL 27 HG12 VAL 27 -0.570 10.050 -1.691 236 HG13 VAL 27 HG13 VAL 27 1.092 9.461 -1.676 237 HG21 VAL 27 HG21 VAL 27 -0.472 7.277 -4.717 238 HG22 VAL 27 HG22 VAL 27 -0.822 9.005 -4.764 239 HG23 VAL 27 HG23 VAL 27 0.848 8.446 -4.661 240 H VAL 28 H VAL 28 1.651 5.560 -3.906 241 HA VAL 28 HA VAL 28 4.245 6.962 -3.821 242 HB VAL 28 HB VAL 28 5.352 4.895 -4.333 243 HG11 VAL 28 HG11 VAL 28 4.866 5.304 -1.980 244 HG12 VAL 28 HG12 VAL 28 3.320 4.470 -2.143 245 HG13 VAL 28 HG13 VAL 28 4.830 3.577 -2.336 246 HG21 VAL 28 HG21 VAL 28 2.622 4.012 -4.995 247 HG22 VAL 28 HG22 VAL 28 4.170 3.541 -5.696 248 HG23 VAL 28 HG23 VAL 28 3.632 2.816 -4.181 249 H THR 29 H THR 29 5.369 7.282 -5.754 250 HA THR 29 HA THR 29 3.827 6.809 -8.220 251 HB THR 29 HB THR 29 4.672 8.966 -9.099 252 HG1 THR 29 HG1 THR 29 6.072 10.090 -7.978 253 HG21 THR 29 HG21 THR 29 3.345 9.821 -6.609 254 HG22 THR 29 HG22 THR 29 2.886 10.093 -8.290 255 HG23 THR 29 HG23 THR 29 2.516 8.553 -7.514 256 H THR 30 H THR 30 6.976 7.199 -6.708 257 HA THR 30 HA THR 30 8.201 5.940 -9.076 258 HB THR 30 HB THR 30 10.215 7.212 -7.524 259 HG1 THR 30 HG1 THR 30 8.258 9.089 -8.354 260 HG21 THR 30 HG21 THR 30 10.583 6.905 -9.815 261 HG22 THR 30 HG22 THR 30 9.029 7.613 -10.255 262 HG23 THR 30 HG23 THR 30 10.331 8.644 -9.660 263 H GLU 31 H GLU 31 10.358 4.858 -8.464 264 HA GLU 31 HA GLU 31 9.793 2.818 -6.574 265 HB2 GLU 31 HB2 GLU 31 12.417 3.494 -7.917 266 HB3 GLU 31 HB3 GLU 31 12.039 1.986 -7.096 267 HG2 GLU 31 HG2 GLU 31 10.607 1.279 -8.767 268 HG3 GLU 31 HG3 GLU 31 10.358 2.913 -9.383 269 H GLU 32 H GLU 32 11.735 5.742 -6.494 270 HA GLU 32 HA GLU 32 13.050 5.161 -4.035 271 HB2 GLU 32 HB2 GLU 32 13.661 7.559 -4.059 272 HB3 GLU 32 HB3 GLU 32 14.021 6.752 -5.578 273 HG2 GLU 32 HG2 GLU 32 11.550 7.676 -6.109 274 HG3 GLU 32 HG3 GLU 32 12.113 8.910 -4.983 275 H ASP 33 H ASP 33 10.161 7.003 -4.912 276 HA ASP 33 HA ASP 33 9.599 8.090 -2.395 277 HB2 ASP 33 HB2 ASP 33 8.504 8.543 -4.711 278 HB3 ASP 33 HB3 ASP 33 7.420 7.225 -4.273 279 H ALA 34 H ALA 34 8.392 5.092 -3.888 280 HA ALA 34 HA ALA 34 6.835 4.239 -1.719 281 HB1 ALA 34 HB1 ALA 34 6.557 3.259 -3.901 282 HB2 ALA 34 HB2 ALA 34 8.203 2.625 -3.867 283 HB3 ALA 34 HB3 ALA 34 6.991 1.993 -2.752 284 H LYS 35 H LYS 35 10.230 3.643 -2.523 285 HA LYS 35 HA LYS 35 10.874 1.737 -0.638 286 HB2 LYS 35 HB2 LYS 35 12.347 2.783 -2.456 287 HB3 LYS 35 HB3 LYS 35 12.696 4.046 -1.284 288 HG2 LYS 35 HG2 LYS 35 13.696 2.475 0.213 289 HG3 LYS 35 HG3 LYS 35 13.180 1.118 -0.789 290 HD2 LYS 35 HD2 LYS 35 14.868 3.230 -2.033 291 HD3 LYS 35 HD3 LYS 35 15.636 2.089 -0.926 292 HE2 LYS 35 HE2 LYS 35 13.956 1.292 -3.299 293 HE3 LYS 35 HE3 LYS 35 15.715 1.404 -3.322 294 HZ1 LYS 35 HZ1 LYS 35 14.102 -0.723 -2.427 295 HZ2 LYS 35 HZ2 LYS 35 15.788 -0.654 -2.550 296 HZ3 LYS 35 HZ3 LYS 35 15.021 -0.152 -1.127 297 H GLN 36 H GLN 36 10.970 5.275 -0.241 298 HA GLN 36 HA GLN 36 11.724 5.201 2.487 299 HB2 GLN 36 HB2 GLN 36 10.590 7.303 0.675 300 HB3 GLN 36 HB3 GLN 36 10.715 7.609 2.401 301 HG2 GLN 36 HG2 GLN 36 13.089 7.311 2.347 302 HG3 GLN 36 HG3 GLN 36 13.029 6.789 0.665 303 HE21 GLN 36 HE21 GLN 36 13.794 9.293 2.588 304 HE22 GLN 36 HE22 GLN 36 13.557 10.607 1.493 305 H VAL 37 H VAL 37 8.655 5.055 0.840 306 HA VAL 37 HA VAL 37 7.008 5.662 3.071 307 HB VAL 37 HB VAL 37 6.397 4.125 0.544 308 HG11 VAL 37 HG11 VAL 37 4.021 4.550 1.119 309 HG12 VAL 37 HG12 VAL 37 4.828 3.452 2.239 310 HG13 VAL 37 HG13 VAL 37 4.544 5.130 2.700 311 HG21 VAL 37 HG21 VAL 37 6.763 6.890 1.078 312 HG22 VAL 37 HG22 VAL 37 6.287 6.115 -0.433 313 HG23 VAL 37 HG23 VAL 37 5.056 6.619 0.725 314 H VAL 38 H VAL 38 7.792 2.550 1.511 315 HA VAL 38 HA VAL 38 6.501 0.899 3.352 316 HB VAL 38 HB VAL 38 8.003 -0.901 2.561 317 HG11 VAL 38 HG11 VAL 38 7.306 0.580 0.088 318 HG12 VAL 38 HG12 VAL 38 6.951 -1.084 0.552 319 HG13 VAL 38 HG13 VAL 38 6.007 0.242 1.232 320 HG21 VAL 38 HG21 VAL 38 9.371 1.324 1.051 321 HG22 VAL 38 HG22 VAL 38 10.062 0.380 2.369 322 HG23 VAL 38 HG23 VAL 38 9.675 -0.399 0.835 323 H LYS 39 H LYS 39 9.690 2.361 3.431 324 HA LYS 39 HA LYS 39 10.703 0.856 5.611 325 HB2 LYS 39 HB2 LYS 39 11.902 2.428 3.866 326 HB3 LYS 39 HB3 LYS 39 11.604 3.659 5.087 327 HG2 LYS 39 HG2 LYS 39 12.835 2.356 6.728 328 HG3 LYS 39 HG3 LYS 39 13.100 1.083 5.535 329 HD2 LYS 39 HD2 LYS 39 14.395 2.602 4.157 330 HD3 LYS 39 HD3 LYS 39 14.064 3.931 5.272 331 HE2 LYS 39 HE2 LYS 39 15.383 2.967 6.971 332 HE3 LYS 39 HE3 LYS 39 15.439 1.407 6.151 333 HZ1 LYS 39 HZ1 LYS 39 16.588 3.796 4.866 334 HZ2 LYS 39 HZ2 LYS 39 17.474 2.957 6.037 335 HZ3 LYS 39 HZ3 LYS 39 16.975 2.166 4.627 336 H GLU 40 H GLU 40 8.946 3.907 5.370 337 HA GLU 40 HA GLU 40 9.199 4.715 8.046 338 HB2 GLU 40 HB2 GLU 40 7.920 5.669 5.745 339 HB3 GLU 40 HB3 GLU 40 6.632 5.438 6.920 340 HG2 GLU 40 HG2 GLU 40 7.801 6.845 8.512 341 HG3 GLU 40 HG3 GLU 40 9.140 7.038 7.382 342 H VAL 41 H VAL 41 6.527 2.984 6.442 343 HA VAL 41 HA VAL 41 5.075 2.526 8.834 344 HB VAL 41 HB VAL 41 4.150 2.455 6.474 345 HG11 VAL 41 HG11 VAL 41 5.199 -0.370 6.526 346 HG12 VAL 41 HG12 VAL 41 4.280 0.405 5.237 347 HG13 VAL 41 HG13 VAL 41 5.922 0.941 5.594 348 HG21 VAL 41 HG21 VAL 41 3.463 0.921 8.798 349 HG22 VAL 41 HG22 VAL 41 2.404 1.682 7.610 350 HG23 VAL 41 HG23 VAL 41 2.998 0.043 7.341 351 H GLN 42 H GLN 42 7.595 0.773 7.165 352 HA GLN 42 HA GLN 42 7.298 -1.734 8.373 353 HB2 GLN 42 HB2 GLN 42 8.749 -1.517 6.487 354 HB3 GLN 42 HB3 GLN 42 9.733 -0.310 7.305 355 HG2 GLN 42 HG2 GLN 42 10.741 -1.886 8.685 356 HG3 GLN 42 HG3 GLN 42 9.481 -3.085 8.393 357 HE21 GLN 42 HE21 GLN 42 12.282 -3.497 8.156 358 HE22 GLN 42 HE22 GLN 42 12.613 -3.895 6.508 359 H LYS 43 H LYS 43 9.067 1.144 9.413 360 HA LYS 43 HA LYS 43 10.217 -0.074 11.717 361 HB2 LYS 43 HB2 LYS 43 11.205 1.914 10.691 362 HB3 LYS 43 HB3 LYS 43 9.759 2.843 11.063 363 HG2 LYS 43 HG2 LYS 43 10.554 3.354 13.061 364 HG3 LYS 43 HG3 LYS 43 10.748 1.644 13.460 365 HD2 LYS 43 HD2 LYS 43 12.945 1.594 12.585 366 HD3 LYS 43 HD3 LYS 43 12.744 3.157 11.790 367 HE2 LYS 43 HE2 LYS 43 12.745 2.713 14.774 368 HE3 LYS 43 HE3 LYS 43 14.125 3.281 13.836 369 HZ1 LYS 43 HZ1 LYS 43 11.561 4.668 14.335 370 HZ2 LYS 43 HZ2 LYS 43 13.125 5.192 14.705 371 HZ3 LYS 43 HZ3 LYS 43 12.608 5.144 13.095 372 H LYS 44 H LYS 44 7.252 1.695 11.083 373 HA LYS 44 HA LYS 44 6.504 2.079 13.793 374 HB2 LYS 44 HB2 LYS 44 5.558 2.955 11.372 375 HB3 LYS 44 HB3 LYS 44 4.309 1.817 11.862 376 HG2 LYS 44 HG2 LYS 44 3.639 3.090 13.624 377 HG3 LYS 44 HG3 LYS 44 5.241 3.791 13.870 378 HD2 LYS 44 HD2 LYS 44 3.493 4.438 11.502 379 HD3 LYS 44 HD3 LYS 44 3.485 5.374 12.999 380 HE2 LYS 44 HE2 LYS 44 6.143 4.880 11.843 381 HE3 LYS 44 HE3 LYS 44 5.081 5.892 10.867 382 HZ1 LYS 44 HZ1 LYS 44 6.539 6.606 13.145 383 HZ2 LYS 44 HZ2 LYS 44 5.526 7.580 12.203 384 HZ3 LYS 44 HZ3 LYS 44 4.896 6.737 13.527 385 H GLY 45 H GLY 45 6.056 -0.528 11.494 386 HA2 GLY 45 HA2 GLY 45 5.898 -2.760 12.600 387 HA3 GLY 45 HA3 GLY 45 4.640 -2.047 13.597 388 H VAL 46 H VAL 46 5.424 -2.469 10.144 389 HA VAL 46 HA VAL 46 2.586 -2.638 9.517 390 HB VAL 46 HB VAL 46 4.217 -1.352 8.081 391 HG11 VAL 46 HG11 VAL 46 5.716 -2.458 6.652 392 HG12 VAL 46 HG12 VAL 46 5.957 -3.208 8.229 393 HG13 VAL 46 HG13 VAL 46 5.010 -4.037 6.993 394 HG21 VAL 46 HG21 VAL 46 2.800 -3.529 6.564 395 HG22 VAL 46 HG22 VAL 46 1.943 -2.216 7.372 396 HG23 VAL 46 HG23 VAL 46 3.081 -1.859 6.073 397 H GLN 47 H GLN 47 1.725 -4.400 8.241 398 HA GLN 47 HA GLN 47 3.177 -6.935 8.575 399 HB2 GLN 47 HB2 GLN 47 1.549 -6.930 10.324 400 HB3 GLN 47 HB3 GLN 47 0.290 -6.358 9.236 401 HG2 GLN 47 HG2 GLN 47 -0.230 -8.420 8.602 402 HG3 GLN 47 HG3 GLN 47 1.457 -8.844 8.324 403 HE21 GLN 47 HE21 GLN 47 1.803 -10.685 9.350 404 HE22 GLN 47 HE22 GLN 47 1.381 -11.023 10.990 405 H LYS 48 H LYS 48 0.719 -5.112 6.837 406 HA LYS 48 HA LYS 48 1.092 -6.931 4.549 407 HB2 LYS 48 HB2 LYS 48 -1.240 -6.716 5.877 408 HB3 LYS 48 HB3 LYS 48 -1.437 -5.392 4.737 409 HG2 LYS 48 HG2 LYS 48 -2.163 -6.888 3.274 410 HG3 LYS 48 HG3 LYS 48 -0.512 -7.506 3.193 411 HD2 LYS 48 HD2 LYS 48 -1.111 -8.938 5.206 412 HD3 LYS 48 HD3 LYS 48 -2.789 -8.487 4.896 413 HE2 LYS 48 HE2 LYS 48 -2.949 -9.851 3.122 414 HE3 LYS 48 HE3 LYS 48 -1.347 -9.420 2.527 415 HZ1 LYS 48 HZ1 LYS 48 -0.758 -10.863 4.711 416 HZ2 LYS 48 HZ2 LYS 48 -2.163 -11.643 4.181 417 HZ3 LYS 48 HZ3 LYS 48 -0.834 -11.495 3.144 418 H VAL 49 H VAL 49 0.608 -5.889 2.429 419 HA VAL 49 HA VAL 49 0.901 -2.993 2.359 420 HB VAL 49 HB VAL 49 2.911 -4.807 1.017 421 HG11 VAL 49 HG11 VAL 49 2.361 -1.873 0.844 422 HG12 VAL 49 HG12 VAL 49 3.998 -2.485 0.608 423 HG13 VAL 49 HG13 VAL 49 2.693 -3.028 -0.446 424 HG21 VAL 49 HG21 VAL 49 4.530 -3.594 2.502 425 HG22 VAL 49 HG22 VAL 49 3.142 -2.947 3.374 426 HG23 VAL 49 HG23 VAL 49 3.428 -4.687 3.339 427 H VAL 50 H VAL 50 -0.624 -2.347 1.001 428 HA VAL 50 HA VAL 50 -1.163 -3.980 -1.396 429 HB VAL 50 HB VAL 50 -3.121 -2.120 -0.048 430 HG11 VAL 50 HG11 VAL 50 -4.772 -3.244 -1.441 431 HG12 VAL 50 HG12 VAL 50 -3.504 -2.525 -2.436 432 HG13 VAL 50 HG13 VAL 50 -3.510 -4.264 -2.136 433 HG21 VAL 50 HG21 VAL 50 -4.213 -4.136 0.823 434 HG22 VAL 50 HG22 VAL 50 -2.898 -5.121 0.181 435 HG23 VAL 50 HG23 VAL 50 -2.580 -3.952 1.463 436 H VAL 51 H VAL 51 -1.354 -2.965 -3.366 437 HA VAL 51 HA VAL 51 -0.935 -0.058 -3.446 438 HB VAL 51 HB VAL 51 0.660 -0.315 -5.306 439 HG11 VAL 51 HG11 VAL 51 2.223 -0.125 -3.743 440 HG12 VAL 51 HG12 VAL 51 1.123 -0.830 -2.558 441 HG13 VAL 51 HG13 VAL 51 2.201 -1.870 -3.490 442 HG21 VAL 51 HG21 VAL 51 1.525 -2.387 -5.999 443 HG22 VAL 51 HG22 VAL 51 0.830 -3.235 -4.617 444 HG23 VAL 51 HG23 VAL 51 -0.218 -2.634 -5.902 445 H VAL 52 H VAL 52 -1.749 0.992 -5.283 446 HA VAL 52 HA VAL 52 -3.528 -0.653 -6.964 447 HB VAL 52 HB VAL 52 -4.077 2.226 -6.282 448 HG11 VAL 52 HG11 VAL 52 -6.220 0.276 -6.854 449 HG12 VAL 52 HG12 VAL 52 -6.045 1.956 -7.363 450 HG13 VAL 52 HG13 VAL 52 -5.153 0.685 -8.198 451 HG21 VAL 52 HG21 VAL 52 -4.489 1.610 -4.177 452 HG22 VAL 52 HG22 VAL 52 -5.871 0.720 -4.816 453 HG23 VAL 52 HG23 VAL 52 -4.332 -0.103 -4.565 454 H GLY 53 H GLY 53 -3.299 -0.468 -9.109 455 HA2 GLY 53 HA2 GLY 53 -2.617 0.315 -11.161 456 HA3 GLY 53 HA3 GLY 53 -2.460 1.903 -10.426 457 H VAL 54 H VAL 54 -0.689 -0.414 -8.746 458 HA VAL 54 HA VAL 54 1.794 0.626 -9.891 459 HB VAL 54 HB VAL 54 1.325 -0.971 -7.369 460 HG11 VAL 54 HG11 VAL 54 3.820 0.122 -8.630 461 HG12 VAL 54 HG12 VAL 54 3.712 -0.169 -6.893 462 HG13 VAL 54 HG13 VAL 54 3.506 -1.505 -8.026 463 HG21 VAL 54 HG21 VAL 54 1.754 1.955 -7.900 464 HG22 VAL 54 HG22 VAL 54 0.440 1.179 -7.016 465 HG23 VAL 54 HG23 VAL 54 2.061 1.233 -6.321 466 H SER 55 H SER 55 3.412 -0.674 -10.711 467 HA SER 55 HA SER 55 2.603 -3.053 -12.009 468 HB2 SER 55 HB2 SER 55 5.395 -3.065 -12.001 469 HB3 SER 55 HB3 SER 55 4.352 -2.377 -13.245 470 HG SER 55 HG SER 55 5.102 -0.510 -12.679 471 H GLU 56 H GLU 56 3.046 -5.189 -11.594 472 HA GLU 56 HA GLU 56 3.327 -5.942 -8.871 473 HB2 GLU 56 HB2 GLU 56 3.274 -8.248 -9.714 474 HB3 GLU 56 HB3 GLU 56 1.999 -7.270 -10.426 475 HG2 GLU 56 HG2 GLU 56 3.570 -6.936 -12.395 476 HG3 GLU 56 HG3 GLU 56 4.533 -8.239 -11.699 477 H LYS 57 H LYS 57 5.506 -5.928 -11.639 478 HA LYS 57 HA LYS 57 7.615 -7.394 -10.534 479 HB2 LYS 57 HB2 LYS 57 9.008 -6.397 -12.236 480 HB3 LYS 57 HB3 LYS 57 7.428 -6.746 -12.926 481 HG2 LYS 57 HG2 LYS 57 7.590 -4.661 -13.727 482 HG3 LYS 57 HG3 LYS 57 7.061 -4.197 -12.107 483 HD2 LYS 57 HD2 LYS 57 9.076 -3.350 -11.557 484 HD3 LYS 57 HD3 LYS 57 9.956 -4.629 -12.398 485 HE2 LYS 57 HE2 LYS 57 8.489 -2.517 -13.934 486 HE3 LYS 57 HE3 LYS 57 10.096 -2.198 -13.283 487 HZ1 LYS 57 HZ1 LYS 57 10.813 -3.104 -15.175 488 HZ2 LYS 57 HZ2 LYS 57 10.397 -4.596 -14.494 489 HZ3 LYS 57 HZ3 LYS 57 9.318 -3.810 -15.533 490 H VAL 58 H VAL 58 6.696 -4.030 -10.169 491 HA VAL 58 HA VAL 58 9.106 -3.193 -8.895 492 HB VAL 58 HB VAL 58 6.361 -1.935 -8.786 493 HG11 VAL 58 HG11 VAL 58 9.074 -0.772 -8.161 494 HG12 VAL 58 HG12 VAL 58 7.545 0.109 -8.163 495 HG13 VAL 58 HG13 VAL 58 7.823 -1.174 -6.983 496 HG21 VAL 58 HG21 VAL 58 7.085 -2.082 -11.068 497 HG22 VAL 58 HG22 VAL 58 7.293 -0.416 -10.530 498 HG23 VAL 58 HG23 VAL 58 8.690 -1.486 -10.647 499 H VAL 59 H VAL 59 5.826 -3.780 -7.617 500 HA VAL 59 HA VAL 59 6.524 -3.542 -4.906 501 HB VAL 59 HB VAL 59 4.409 -4.755 -4.441 502 HG11 VAL 59 HG11 VAL 59 3.184 -2.911 -4.867 503 HG12 VAL 59 HG12 VAL 59 4.733 -2.249 -5.386 504 HG13 VAL 59 HG13 VAL 59 3.607 -2.895 -6.580 505 HG21 VAL 59 HG21 VAL 59 4.468 -5.163 -7.418 506 HG22 VAL 59 HG22 VAL 59 4.280 -6.372 -6.146 507 HG23 VAL 59 HG23 VAL 59 2.973 -5.238 -6.486 508 H GLN 60 H GLN 60 6.497 -6.305 -7.091 509 HA GLN 60 HA GLN 60 6.807 -8.363 -5.244 510 HB2 GLN 60 HB2 GLN 60 6.352 -8.896 -7.529 511 HB3 GLN 60 HB3 GLN 60 7.811 -8.079 -8.075 512 HG2 GLN 60 HG2 GLN 60 9.172 -9.804 -7.484 513 HG3 GLN 60 HG3 GLN 60 8.113 -10.339 -6.180 514 HE21 GLN 60 HE21 GLN 60 9.158 -10.926 -9.299 515 HE22 GLN 60 HE22 GLN 60 7.955 -12.074 -9.768 516 H LYS 61 H LYS 61 9.315 -6.495 -6.943 517 HA LYS 61 HA LYS 61 11.541 -7.743 -5.822 518 HB2 LYS 61 HB2 LYS 61 10.995 -5.321 -7.326 519 HB3 LYS 61 HB3 LYS 61 12.271 -5.067 -6.143 520 HG2 LYS 61 HG2 LYS 61 13.742 -6.239 -7.331 521 HG3 LYS 61 HG3 LYS 61 12.595 -7.552 -7.610 522 HD2 LYS 61 HD2 LYS 61 11.767 -6.590 -9.547 523 HD3 LYS 61 HD3 LYS 61 12.299 -4.971 -9.091 524 HE2 LYS 61 HE2 LYS 61 13.657 -5.867 -10.908 525 HE3 LYS 61 HE3 LYS 61 14.622 -5.626 -9.452 526 HZ1 LYS 61 HZ1 LYS 61 14.391 -7.943 -10.928 527 HZ2 LYS 61 HZ2 LYS 61 15.146 -7.765 -9.425 528 HZ3 LYS 61 HZ3 LYS 61 13.524 -8.240 -9.506 529 H VAL 62 H VAL 62 10.222 -4.570 -4.853 530 HA VAL 62 HA VAL 62 11.692 -4.225 -2.545 531 HB VAL 62 HB VAL 62 8.834 -3.358 -3.005 532 HG11 VAL 62 HG11 VAL 62 9.802 -1.450 -1.440 533 HG12 VAL 62 HG12 VAL 62 9.068 -2.913 -0.782 534 HG13 VAL 62 HG13 VAL 62 10.823 -2.774 -0.880 535 HG21 VAL 62 HG21 VAL 62 9.657 -1.989 -4.550 536 HG22 VAL 62 HG22 VAL 62 10.641 -1.220 -3.306 537 HG23 VAL 62 HG23 VAL 62 11.293 -2.567 -4.240 538 H LYS 63 H LYS 63 8.520 -5.791 -2.886 539 HA LYS 63 HA LYS 63 7.987 -6.359 -0.240 540 HB2 LYS 63 HB2 LYS 63 6.315 -6.812 -1.872 541 HB3 LYS 63 HB3 LYS 63 7.368 -7.915 -2.748 542 HG2 LYS 63 HG2 LYS 63 6.952 -8.735 0.005 543 HG3 LYS 63 HG3 LYS 63 5.444 -8.607 -0.903 544 HD2 LYS 63 HD2 LYS 63 6.005 -10.293 -2.337 545 HD3 LYS 63 HD3 LYS 63 7.736 -9.965 -2.217 546 HE2 LYS 63 HE2 LYS 63 7.456 -10.799 0.227 547 HE3 LYS 63 HE3 LYS 63 5.967 -11.526 -0.374 548 HZ1 LYS 63 HZ1 LYS 63 8.224 -12.823 -0.426 549 HZ2 LYS 63 HZ2 LYS 63 7.096 -12.994 -1.675 550 HZ3 LYS 63 HZ3 LYS 63 8.438 -11.984 -1.878 551 H GLN 64 H GLN 64 9.997 -8.173 -2.518 552 HA GLN 64 HA GLN 64 10.522 -10.387 -0.883 553 HB2 GLN 64 HB2 GLN 64 11.036 -10.051 -3.378 554 HB3 GLN 64 HB3 GLN 64 12.509 -9.256 -2.839 555 HG2 GLN 64 HG2 GLN 64 12.764 -11.479 -1.434 556 HG3 GLN 64 HG3 GLN 64 11.740 -12.116 -2.720 557 HE21 GLN 64 HE21 GLN 64 13.921 -13.353 -2.788 558 HE22 GLN 64 HE22 GLN 64 15.064 -12.750 -3.935 559 H GLU 65 H GLU 65 12.276 -7.328 -1.273 560 HA GLU 65 HA GLU 65 14.216 -8.049 0.743 561 HB2 GLU 65 HB2 GLU 65 13.975 -6.049 -1.310 562 HB3 GLU 65 HB3 GLU 65 14.357 -5.280 0.223 563 HG2 GLU 65 HG2 GLU 65 16.082 -7.404 0.183 564 HG3 GLU 65 HG3 GLU 65 16.014 -6.929 -1.512 565 H ALA 66 H ALA 66 11.086 -7.119 0.908 566 HA ALA 66 HA ALA 66 11.424 -5.409 3.266 567 HB1 ALA 66 HB1 ALA 66 9.824 -4.338 2.076 568 HB2 ALA 66 HB2 ALA 66 9.270 -5.813 1.283 569 HB3 ALA 66 HB3 ALA 66 8.769 -5.458 2.936 570 H ASN 67 H ASN 67 10.363 -8.572 2.275 571 HA ASN 67 HA ASN 67 9.837 -10.442 3.459 572 HB2 ASN 67 HB2 ASN 67 10.467 -9.044 6.039 573 HB3 ASN 67 HB3 ASN 67 10.723 -10.729 5.599 574 HD21 ASN 67 HD21 ASN 67 12.332 -8.095 6.367 575 HD22 ASN 67 HD22 ASN 67 13.751 -8.270 5.397 576 H VAL 68 H VAL 68 7.742 -8.902 2.742 577 HA VAL 68 HA VAL 68 5.869 -9.374 4.933 578 HB VAL 68 HB VAL 68 4.741 -7.222 4.588 579 HG11 VAL 68 HG11 VAL 68 6.229 -5.896 5.862 580 HG12 VAL 68 HG12 VAL 68 6.563 -7.569 6.307 581 HG13 VAL 68 HG13 VAL 68 7.643 -6.718 5.203 582 HG21 VAL 68 HG21 VAL 68 6.372 -5.486 3.402 583 HG22 VAL 68 HG22 VAL 68 6.833 -6.934 2.507 584 HG23 VAL 68 HG23 VAL 68 5.154 -6.396 2.509 585 H GLN 69 H GLN 69 3.545 -8.976 4.095 586 HA GLN 69 HA GLN 69 3.298 -10.462 1.612 587 HB2 GLN 69 HB2 GLN 69 1.384 -9.698 3.799 588 HB3 GLN 69 HB3 GLN 69 0.799 -10.329 2.265 589 HG2 GLN 69 HG2 GLN 69 0.967 -12.309 3.288 590 HG3 GLN 69 HG3 GLN 69 2.674 -12.171 2.875 591 HE21 GLN 69 HE21 GLN 69 1.287 -13.530 5.107 592 HE22 GLN 69 HE22 GLN 69 2.020 -12.909 6.543 593 H VAL 70 H VAL 70 2.931 -9.544 -0.289 594 HA VAL 70 HA VAL 70 1.947 -6.770 -0.341 595 HB VAL 70 HB VAL 70 4.192 -7.112 -1.317 596 HG11 VAL 70 HG11 VAL 70 2.840 -8.698 -3.487 597 HG12 VAL 70 HG12 VAL 70 4.567 -8.433 -3.240 598 HG13 VAL 70 HG13 VAL 70 3.662 -9.454 -2.122 599 HG21 VAL 70 HG21 VAL 70 2.019 -5.732 -2.412 600 HG22 VAL 70 HG22 VAL 70 3.733 -5.417 -2.682 601 HG23 VAL 70 HG23 VAL 70 2.847 -6.475 -3.780 602 H TYR 71 H TYR 71 0.200 -6.218 -1.563 603 HA TYR 71 HA TYR 71 -1.069 -8.300 -3.193 604 HB2 TYR 71 HB2 TYR 71 -2.245 -6.861 -0.848 605 HB3 TYR 71 HB3 TYR 71 -3.292 -7.298 -2.195 606 HD1 TYR 71 HD1 TYR 71 -0.724 -8.831 0.046 607 HD2 TYR 71 HD2 TYR 71 -4.329 -9.363 -2.149 608 HE1 TYR 71 HE1 TYR 71 -0.938 -11.104 0.962 609 HE2 TYR 71 HE2 TYR 71 -4.555 -11.637 -1.238 610 HH TYR 71 HH TYR 71 -2.270 -13.366 -0.021 611 H ARG 72 H ARG 72 -2.324 -7.550 -4.906 612 HA ARG 72 HA ARG 72 -2.027 -4.675 -5.482 613 HB2 ARG 72 HB2 ARG 72 -1.424 -7.036 -7.046 614 HB3 ARG 72 HB3 ARG 72 -2.560 -5.994 -7.892 615 HG2 ARG 72 HG2 ARG 72 -1.056 -4.272 -8.079 616 HG3 ARG 72 HG3 ARG 72 -0.125 -4.791 -6.672 617 HD2 ARG 72 HD2 ARG 72 1.295 -5.852 -8.007 618 HD3 ARG 72 HD3 ARG 72 -0.020 -6.871 -8.591 619 HE ARG 72 HE ARG 72 1.188 -4.650 -9.955 620 HH11 ARG 72 HH11 ARG 72 -1.674 -6.609 -9.652 621 HH12 ARG 72 HH12 ARG 72 -2.235 -6.269 -11.256 622 HH21 ARG 72 HH21 ARG 72 0.459 -4.194 -12.068 623 HH22 ARG 72 HH22 ARG 72 -1.020 -4.896 -12.629 624 H VAL 73 H VAL 73 -3.743 -3.613 -6.581 625 HA VAL 73 HA VAL 73 -6.288 -5.010 -6.812 626 HB VAL 73 HB VAL 73 -7.509 -3.350 -5.490 627 HG11 VAL 73 HG11 VAL 73 -6.662 -5.469 -4.473 628 HG12 VAL 73 HG12 VAL 73 -5.291 -4.555 -3.844 629 HG13 VAL 73 HG13 VAL 73 -6.928 -4.163 -3.318 630 HG21 VAL 73 HG21 VAL 73 -6.583 -1.392 -5.000 631 HG22 VAL 73 HG22 VAL 73 -5.451 -2.211 -3.924 632 HG23 VAL 73 HG23 VAL 73 -5.027 -1.948 -5.615 633 H THR 74 H THR 74 -7.721 -4.055 -8.236 634 HA THR 74 HA THR 74 -6.663 -1.737 -9.719 635 HB THR 74 HB THR 74 -8.511 -2.921 -11.399 636 HG1 THR 74 HG1 THR 74 -8.626 -4.952 -10.847 637 HG21 THR 74 HG21 THR 74 -5.559 -3.533 -11.378 638 HG22 THR 74 HG22 THR 74 -6.637 -3.461 -12.773 639 HG23 THR 74 HG23 THR 74 -6.228 -1.986 -11.896 640 H SER 75 H SER 75 -9.419 -3.134 -8.124 641 HA SER 75 HA SER 75 -11.030 -0.771 -8.824 642 HB2 SER 75 HB2 SER 75 -11.988 -2.996 -9.437 643 HB3 SER 75 HB3 SER 75 -12.002 -3.419 -7.726 644 HG SER 75 HG SER 75 -13.736 -1.877 -9.143 645 H ASN 76 H ASN 76 -12.593 -0.110 -7.058 646 HA ASN 76 HA ASN 76 -11.099 0.532 -4.720 647 HB2 ASN 76 HB2 ASN 76 -13.920 1.037 -5.619 648 HB3 ASN 76 HB3 ASN 76 -13.428 1.424 -3.974 649 HD21 ASN 76 HD21 ASN 76 -14.303 3.225 -6.036 650 HD22 ASN 76 HD22 ASN 76 -13.007 4.332 -6.316 651 H ASP 77 H ASP 77 -13.387 -1.942 -5.548 652 HA ASP 77 HA ASP 77 -14.038 -2.678 -2.858 653 HB2 ASP 77 HB2 ASP 77 -14.934 -3.367 -5.460 654 HB3 ASP 77 HB3 ASP 77 -14.424 -4.858 -4.673 655 H GLU 78 H GLU 78 -11.483 -3.406 -5.065 656 HA GLU 78 HA GLU 78 -10.648 -5.836 -3.790 657 HB2 GLU 78 HB2 GLU 78 -9.363 -4.012 -5.814 658 HB3 GLU 78 HB3 GLU 78 -8.532 -5.417 -5.162 659 HG2 GLU 78 HG2 GLU 78 -11.241 -5.716 -6.377 660 HG3 GLU 78 HG3 GLU 78 -9.815 -5.597 -7.405 661 H VAL 79 H VAL 79 -9.706 -2.440 -3.632 662 HA VAL 79 HA VAL 79 -7.472 -2.853 -1.912 663 HB VAL 79 HB VAL 79 -7.548 -0.849 -3.239 664 HG11 VAL 79 HG11 VAL 79 -9.220 0.888 -2.915 665 HG12 VAL 79 HG12 VAL 79 -9.988 -0.630 -3.379 666 HG13 VAL 79 HG13 VAL 79 -10.030 -0.097 -1.698 667 HG21 VAL 79 HG21 VAL 79 -6.616 -0.865 -0.830 668 HG22 VAL 79 HG22 VAL 79 -6.825 0.682 -1.648 669 HG23 VAL 79 HG23 VAL 79 -8.007 0.150 -0.453 670 H GLU 80 H GLU 80 -10.854 -1.942 -1.389 671 HA GLU 80 HA GLU 80 -10.591 -1.541 1.414 672 HB2 GLU 80 HB2 GLU 80 -12.957 -1.333 1.459 673 HB3 GLU 80 HB3 GLU 80 -12.426 -0.624 -0.060 674 HG2 GLU 80 HG2 GLU 80 -12.982 -2.799 -1.166 675 HG3 GLU 80 HG3 GLU 80 -13.707 -3.311 0.358 676 H GLN 81 H GLN 81 -11.253 -4.311 -0.607 677 HA GLN 81 HA GLN 81 -12.204 -6.013 1.467 678 HB2 GLN 81 HB2 GLN 81 -11.328 -6.365 -1.356 679 HB3 GLN 81 HB3 GLN 81 -11.366 -7.792 -0.327 680 HG2 GLN 81 HG2 GLN 81 -13.721 -5.956 -0.607 681 HG3 GLN 81 HG3 GLN 81 -13.433 -7.302 -1.708 682 HE21 GLN 81 HE21 GLN 81 -15.325 -8.331 -1.067 683 HE22 GLN 81 HE22 GLN 81 -15.468 -9.124 0.460 684 H VAL 82 H VAL 82 -9.057 -5.703 -0.164 685 HA VAL 82 HA VAL 82 -7.699 -7.685 1.258 686 HB VAL 82 HB VAL 82 -6.590 -5.123 0.102 687 HG11 VAL 82 HG11 VAL 82 -5.225 -7.640 1.037 688 HG12 VAL 82 HG12 VAL 82 -4.452 -6.422 0.023 689 HG13 VAL 82 HG13 VAL 82 -4.997 -6.001 1.647 690 HG21 VAL 82 HG21 VAL 82 -6.189 -7.710 -1.253 691 HG22 VAL 82 HG22 VAL 82 -7.837 -7.081 -1.270 692 HG23 VAL 82 HG23 VAL 82 -6.517 -6.113 -1.926 693 H VAL 83 H VAL 83 -7.895 -4.189 1.901 694 HA VAL 83 HA VAL 83 -6.351 -4.248 4.264 695 HB VAL 83 HB VAL 83 -6.719 -2.167 3.058 696 HG11 VAL 83 HG11 VAL 83 -9.526 -1.995 4.056 697 HG12 VAL 83 HG12 VAL 83 -8.762 -1.170 2.697 698 HG13 VAL 83 HG13 VAL 83 -9.187 -2.877 2.567 699 HG21 VAL 83 HG21 VAL 83 -6.341 -1.124 4.981 700 HG22 VAL 83 HG22 VAL 83 -8.055 -1.211 5.386 701 HG23 VAL 83 HG23 VAL 83 -6.970 -2.522 5.854 702 H LYS 84 H LYS 84 -9.831 -4.461 3.678 703 HA LYS 84 HA LYS 84 -10.845 -4.253 6.214 704 HB2 LYS 84 HB2 LYS 84 -11.659 -5.636 3.747 705 HB3 LYS 84 HB3 LYS 84 -12.361 -6.295 5.217 706 HG2 LYS 84 HG2 LYS 84 -12.467 -3.377 5.045 707 HG3 LYS 84 HG3 LYS 84 -13.378 -4.218 3.789 708 HD2 LYS 84 HD2 LYS 84 -14.879 -5.074 5.262 709 HD3 LYS 84 HD3 LYS 84 -13.685 -5.230 6.553 710 HE2 LYS 84 HE2 LYS 84 -14.218 -2.461 5.833 711 HE3 LYS 84 HE3 LYS 84 -15.662 -3.312 6.380 712 HZ1 LYS 84 HZ1 LYS 84 -13.235 -2.628 7.854 713 HZ2 LYS 84 HZ2 LYS 84 -14.847 -2.642 8.370 714 HZ3 LYS 84 HZ3 LYS 84 -13.985 -4.093 8.244 715 H ASP 85 H ASP 85 -10.116 -7.402 4.702 716 HA ASP 85 HA ASP 85 -10.183 -8.807 7.161 717 HB2 ASP 85 HB2 ASP 85 -10.493 -9.723 4.773 718 HB3 ASP 85 HB3 ASP 85 -8.734 -9.766 4.702 719 H VAL 86 H VAL 86 -7.688 -7.109 5.446 720 HA VAL 86 HA VAL 86 -5.402 -6.992 5.761 721 HB VAL 86 HB VAL 86 -6.105 -5.328 7.292 722 HG11 VAL 86 HG11 VAL 86 -7.876 -6.534 8.414 723 HG12 VAL 86 HG12 VAL 86 -6.698 -7.562 9.229 724 HG13 VAL 86 HG13 VAL 86 -6.780 -5.842 9.610 725 HG21 VAL 86 HG21 VAL 86 -3.743 -6.460 7.525 726 HG22 VAL 86 HG22 VAL 86 -4.265 -5.215 8.659 727 HG23 VAL 86 HG23 VAL 86 -4.361 -6.916 9.112 728 H LYS 87 H LYS 87 -4.870 -9.185 5.241 729 HA LYS 87 HA LYS 87 -3.782 -11.148 5.610 730 HB2 LYS 87 HB2 LYS 87 -2.453 -9.522 7.134 731 HB3 LYS 87 HB3 LYS 87 -3.295 -10.320 8.457 732 HG2 LYS 87 HG2 LYS 87 -2.185 -12.279 6.681 733 HG3 LYS 87 HG3 LYS 87 -0.941 -11.133 7.184 734 HD2 LYS 87 HD2 LYS 87 -1.095 -11.725 9.392 735 HD3 LYS 87 HD3 LYS 87 -2.785 -12.216 9.254 736 HE2 LYS 87 HE2 LYS 87 -0.725 -13.776 7.777 737 HE3 LYS 87 HE3 LYS 87 -0.844 -13.988 9.524 738 HZ1 LYS 87 HZ1 LYS 87 -3.419 -14.055 8.365 739 HZ2 LYS 87 HZ2 LYS 87 -2.418 -15.165 7.573 740 HZ3 LYS 87 HZ3 LYS 87 -2.621 -15.256 9.250 741 H GLY 88 H GLY 88 -5.488 -12.558 5.457 742 HA2 GLY 88 HA2 GLY 88 -6.346 -13.758 7.964 743 HA3 GLY 88 HA3 GLY 88 -7.622 -13.059 6.979 744 H SER 89 H SER 89 -8.689 -14.602 5.950 745 HA SER 89 HA SER 89 -7.463 -17.129 5.326 746 HB2 SER 89 HB2 SER 89 -10.117 -16.150 5.653 747 HB3 SER 89 HB3 SER 89 -10.001 -16.858 4.042 748 HG SER 89 HG SER 89 -10.319 -18.146 6.271 749 H GLY 90 H GLY 90 -6.690 -17.822 3.416 750 HA2 GLY 90 HA2 GLY 90 -6.238 -15.903 1.334 751 HA3 GLY 90 HA3 GLY 90 -5.748 -17.591 1.321 752 H LEU 91 H LEU 91 -6.974 -19.079 0.256 753 HA LEU 91 HA LEU 91 -8.514 -19.913 -1.194 754 HB2 LEU 91 HB2 LEU 91 -9.986 -18.967 0.758 755 HB3 LEU 91 HB3 LEU 91 -10.457 -17.775 -0.451 756 HG LEU 91 HG LEU 91 -10.684 -20.692 -1.070 757 HD11 LEU 91 HD11 LEU 91 -13.197 -19.787 -0.205 758 HD12 LEU 91 HD12 LEU 91 -12.186 -21.036 0.523 759 HD13 LEU 91 HD13 LEU 91 -12.051 -19.365 1.067 760 HD21 LEU 91 HD21 LEU 91 -12.796 -19.543 -2.191 761 HD22 LEU 91 HD22 LEU 91 -11.760 -18.120 -2.087 762 HD23 LEU 91 HD23 LEU 91 -11.212 -19.547 -2.966 763 H GLU 92 H GLU 92 -7.522 -19.415 -3.113 764 HA GLU 92 HA GLU 92 -8.208 -16.838 -4.352 765 HB2 GLU 92 HB2 GLU 92 -5.863 -18.647 -4.535 766 HB3 GLU 92 HB3 GLU 92 -6.337 -17.817 -6.010 767 HG2 GLU 92 HG2 GLU 92 -6.296 -15.682 -4.618 768 HG3 GLU 92 HG3 GLU 92 -5.436 -16.634 -3.409 769 H HIS 93 H HIS 93 -9.592 -16.792 -5.994 770 HA HIS 93 HA HIS 93 -11.009 -19.046 -6.856 771 HB2 HIS 93 HB2 HIS 93 -11.900 -16.764 -7.017 772 HB3 HIS 93 HB3 HIS 93 -10.694 -16.374 -8.239 773 HD1 HIS 93 HD1 HIS 93 -11.154 -17.120 -10.627 774 HD2 HIS 93 HD2 HIS 93 -13.988 -18.470 -7.907 775 HE1 HIS 93 HE1 HIS 93 -13.031 -18.049 -12.019 776 H HIS 94 H HIS 94 -10.101 -20.711 -7.880 777 HA HIS 94 HA HIS 94 -8.152 -20.163 -10.014 778 HB2 HIS 94 HB2 HIS 94 -8.068 -21.965 -7.874 779 HB3 HIS 94 HB3 HIS 94 -8.392 -22.959 -9.291 780 HD1 HIS 94 HD1 HIS 94 -5.775 -20.807 -7.730 781 HD2 HIS 94 HD2 HIS 94 -6.303 -23.085 -11.165 782 HE1 HIS 94 HE1 HIS 94 -3.489 -21.013 -8.758 783 H HIS 95 H HIS 95 -8.265 -21.448 -11.962 784 HA HIS 95 HA HIS 95 -11.004 -21.786 -12.843 785 HB2 HIS 95 HB2 HIS 95 -8.348 -21.903 -14.273 786 HB3 HIS 95 HB3 HIS 95 -9.876 -22.261 -15.073 787 HD1 HIS 95 HD1 HIS 95 -8.204 -19.929 -16.073 788 HD2 HIS 95 HD2 HIS 95 -11.166 -19.549 -13.183 789 HE1 HIS 95 HE1 HIS 95 -8.905 -17.514 -16.141 790 H HIS 96 H HIS 96 -8.116 -23.806 -13.380 791 HA HIS 96 HA HIS 96 -9.212 -26.134 -12.209 792 HB2 HIS 96 HB2 HIS 96 -10.519 -25.710 -14.477 793 HB3 HIS 96 HB3 HIS 96 -9.089 -26.464 -15.174 794 HD1 HIS 96 HD1 HIS 96 -11.928 -27.200 -12.804 795 HD2 HIS 96 HD2 HIS 96 -8.954 -29.200 -14.904 796 HE1 HIS 96 HE1 HIS 96 -12.457 -29.646 -12.554 797 H HIS 97 H HIS 97 -7.274 -25.398 -15.116 798 HA HIS 97 HA HIS 97 -4.825 -26.113 -13.817 799 HB2 HIS 97 HB2 HIS 97 -5.700 -28.362 -14.238 800 HB3 HIS 97 HB3 HIS 97 -5.918 -27.971 -15.941 801 HD1 HIS 97 HD1 HIS 97 -3.955 -28.334 -17.455 802 HD2 HIS 97 HD2 HIS 97 -2.919 -28.500 -13.435 803 HE1 HIS 97 HE1 HIS 97 -1.566 -29.119 -17.408 804 H HIS 98 H HIS 98 -6.359 -25.929 -17.029 805 HA HIS 98 HA HIS 98 -4.561 -23.784 -17.777 806 HB2 HIS 98 HB2 HIS 98 -3.436 -26.039 -18.312 807 HB3 HIS 98 HB3 HIS 98 -4.657 -26.199 -19.573 808 HD1 HIS 98 HD1 HIS 98 -3.119 -25.956 -21.563 809 HD2 HIS 98 HD2 HIS 98 -2.788 -22.813 -18.866 810 HE1 HIS 98 HE1 HIS 98 -1.704 -24.227 -22.716 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -5.082 -7.559 12.559 2 HA2 GLY 1 HA2 GLY 1 -2.168 -7.833 12.201 3 HA3 GLY 1 HA3 GLY 1 -3.375 -8.231 10.987 4 H ARG 2 H ARG 2 -1.044 -6.484 10.771 5 HA ARG 2 HA ARG 2 -2.237 -3.829 10.502 6 HB2 ARG 2 HB2 ARG 2 0.595 -4.847 10.351 7 HB3 ARG 2 HB3 ARG 2 0.163 -3.214 9.859 8 HG2 ARG 2 HG2 ARG 2 0.391 -2.569 11.961 9 HG3 ARG 2 HG3 ARG 2 -0.980 -3.592 12.393 10 HD2 ARG 2 HD2 ARG 2 0.444 -5.429 12.897 11 HD3 ARG 2 HD3 ARG 2 1.842 -4.617 12.192 12 HE ARG 2 HE ARG 2 0.660 -3.200 14.399 13 HH11 ARG 2 HH11 ARG 2 2.941 -5.655 13.455 14 HH12 ARG 2 HH12 ARG 2 3.894 -5.507 14.895 15 HH21 ARG 2 HH21 ARG 2 1.908 -2.995 16.298 16 HH22 ARG 2 HH22 ARG 2 3.304 -3.993 16.511 17 H VAL 3 H VAL 3 -2.218 -2.672 8.544 18 HA VAL 3 HA VAL 3 -1.468 -4.046 6.099 19 HB VAL 3 HB VAL 3 -3.675 -3.756 5.048 20 HG11 VAL 3 HG11 VAL 3 -3.734 -5.432 7.556 21 HG12 VAL 3 HG12 VAL 3 -4.802 -5.621 6.166 22 HG13 VAL 3 HG13 VAL 3 -3.071 -5.919 5.996 23 HG21 VAL 3 HG21 VAL 3 -4.683 -3.132 7.821 24 HG22 VAL 3 HG22 VAL 3 -4.447 -1.933 6.550 25 HG23 VAL 3 HG23 VAL 3 -5.634 -3.220 6.338 26 H VAL 4 H VAL 4 -1.256 -2.671 4.313 27 HA VAL 4 HA VAL 4 -1.703 0.192 4.804 28 HB VAL 4 HB VAL 4 0.847 -1.031 3.745 29 HG11 VAL 4 HG11 VAL 4 -0.056 1.840 3.858 30 HG12 VAL 4 HG12 VAL 4 1.624 1.352 3.637 31 HG13 VAL 4 HG13 VAL 4 0.413 0.910 2.435 32 HG21 VAL 4 HG21 VAL 4 0.455 0.763 6.131 33 HG22 VAL 4 HG22 VAL 4 0.479 -0.997 6.232 34 HG23 VAL 4 HG23 VAL 4 1.907 -0.127 5.673 35 H VAL 5 H VAL 5 -2.444 1.324 3.087 36 HA VAL 5 HA VAL 5 -2.831 -0.171 0.583 37 HB VAL 5 HB VAL 5 -4.341 2.234 1.618 38 HG11 VAL 5 HG11 VAL 5 -5.911 1.325 -0.310 39 HG12 VAL 5 HG12 VAL 5 -4.617 2.477 -0.634 40 HG13 VAL 5 HG13 VAL 5 -4.373 0.762 -0.963 41 HG21 VAL 5 HG21 VAL 5 -4.850 0.251 2.910 42 HG22 VAL 5 HG22 VAL 5 -6.214 0.644 1.864 43 HG23 VAL 5 HG23 VAL 5 -5.124 -0.674 1.434 44 H VAL 6 H VAL 6 -1.978 0.541 -1.281 45 HA VAL 6 HA VAL 6 -0.803 3.240 -1.339 46 HB VAL 6 HB VAL 6 0.481 0.766 -2.505 47 HG11 VAL 6 HG11 VAL 6 1.101 3.677 -2.624 48 HG12 VAL 6 HG12 VAL 6 2.434 2.522 -2.589 49 HG13 VAL 6 HG13 VAL 6 1.232 2.442 -3.877 50 HG21 VAL 6 HG21 VAL 6 0.628 1.968 0.135 51 HG22 VAL 6 HG22 VAL 6 1.226 0.408 -0.432 52 HG23 VAL 6 HG23 VAL 6 2.207 1.859 -0.643 53 H VAL 7 H VAL 7 -0.885 4.321 -3.293 54 HA VAL 7 HA VAL 7 -2.265 2.963 -5.508 55 HB VAL 7 HB VAL 7 -3.503 5.082 -5.958 56 HG11 VAL 7 HG11 VAL 7 -4.959 3.616 -5.027 57 HG12 VAL 7 HG12 VAL 7 -3.939 3.329 -3.617 58 HG13 VAL 7 HG13 VAL 7 -4.925 4.788 -3.711 59 HG21 VAL 7 HG21 VAL 7 -3.748 6.611 -3.942 60 HG22 VAL 7 HG22 VAL 7 -2.289 5.845 -3.315 61 HG23 VAL 7 HG23 VAL 7 -2.237 6.727 -4.842 62 H THR 8 H THR 8 -2.240 4.573 -7.493 63 HA THR 8 HA THR 8 0.570 5.353 -7.836 64 HB THR 8 HB THR 8 -0.879 5.443 -10.302 65 HG1 THR 8 HG1 THR 8 -2.155 3.775 -10.126 66 HG21 THR 8 HG21 THR 8 0.900 4.220 -11.080 67 HG22 THR 8 HG22 THR 8 1.609 4.885 -9.608 68 HG23 THR 8 HG23 THR 8 0.998 3.231 -9.623 69 H SER 9 H SER 9 -2.612 6.617 -7.638 70 HA SER 9 HA SER 9 -1.625 9.251 -8.524 71 HB2 SER 9 HB2 SER 9 -4.438 8.148 -8.730 72 HB3 SER 9 HB3 SER 9 -3.957 9.788 -9.165 73 HG SER 9 HG SER 9 -3.348 7.355 -10.432 74 H GLU 10 H GLU 10 -2.171 11.046 -7.297 75 HA GLU 10 HA GLU 10 -2.455 10.634 -4.522 76 HB2 GLU 10 HB2 GLU 10 -2.690 13.112 -4.409 77 HB3 GLU 10 HB3 GLU 10 -1.288 12.576 -5.323 78 HG2 GLU 10 HG2 GLU 10 -3.436 12.840 -7.140 79 HG3 GLU 10 HG3 GLU 10 -3.400 14.288 -6.136 80 H GLN 11 H GLN 11 -4.748 11.303 -7.069 81 HA GLN 11 HA GLN 11 -6.921 12.193 -5.568 82 HB2 GLN 11 HB2 GLN 11 -6.440 11.426 -8.239 83 HB3 GLN 11 HB3 GLN 11 -7.813 10.474 -7.692 84 HG2 GLN 11 HG2 GLN 11 -8.793 12.676 -6.865 85 HG3 GLN 11 HG3 GLN 11 -7.548 13.454 -7.840 86 HE21 GLN 11 HE21 GLN 11 -8.062 13.912 -9.854 87 HE22 GLN 11 HE22 GLN 11 -9.334 13.186 -10.770 88 H VAL 12 H VAL 12 -6.095 8.872 -6.549 89 HA VAL 12 HA VAL 12 -8.230 7.586 -5.283 90 HB VAL 12 HB VAL 12 -5.468 6.422 -5.637 91 HG11 VAL 12 HG11 VAL 12 -6.741 4.308 -5.905 92 HG12 VAL 12 HG12 VAL 12 -6.911 5.033 -4.305 93 HG13 VAL 12 HG13 VAL 12 -8.213 5.184 -5.485 94 HG21 VAL 12 HG21 VAL 12 -7.655 6.927 -7.619 95 HG22 VAL 12 HG22 VAL 12 -5.921 7.210 -7.773 96 HG23 VAL 12 HG23 VAL 12 -6.554 5.564 -7.825 97 H LYS 13 H LYS 13 -5.008 8.428 -4.085 98 HA LYS 13 HA LYS 13 -5.109 7.112 -1.628 99 HB2 LYS 13 HB2 LYS 13 -3.061 8.109 -2.518 100 HB3 LYS 13 HB3 LYS 13 -3.744 9.719 -2.327 101 HG2 LYS 13 HG2 LYS 13 -3.898 8.391 0.178 102 HG3 LYS 13 HG3 LYS 13 -2.264 8.195 -0.458 103 HD2 LYS 13 HD2 LYS 13 -1.993 10.558 -0.683 104 HD3 LYS 13 HD3 LYS 13 -3.695 10.844 -0.319 105 HE2 LYS 13 HE2 LYS 13 -3.254 10.925 1.857 106 HE3 LYS 13 HE3 LYS 13 -2.513 9.326 1.798 107 HZ1 LYS 13 HZ1 LYS 13 -0.843 10.738 2.565 108 HZ2 LYS 13 HZ2 LYS 13 -0.475 10.535 0.926 109 HZ3 LYS 13 HZ3 LYS 13 -1.216 11.960 1.456 110 H GLU 14 H GLU 14 -6.075 10.436 -2.447 111 HA GLU 14 HA GLU 14 -6.849 11.280 0.080 112 HB2 GLU 14 HB2 GLU 14 -8.028 12.004 -2.607 113 HB3 GLU 14 HB3 GLU 14 -8.349 12.873 -1.113 114 HG2 GLU 14 HG2 GLU 14 -5.538 12.495 -2.036 115 HG3 GLU 14 HG3 GLU 14 -6.549 13.744 -2.763 116 H GLU 15 H GLU 15 -8.753 9.592 -2.393 117 HA GLU 15 HA GLU 15 -11.186 9.578 -0.973 118 HB2 GLU 15 HB2 GLU 15 -11.548 9.052 -3.170 119 HB3 GLU 15 HB3 GLU 15 -10.067 8.115 -3.302 120 HG2 GLU 15 HG2 GLU 15 -11.042 6.200 -2.468 121 HG3 GLU 15 HG3 GLU 15 -12.326 7.087 -1.648 122 H VAL 16 H VAL 16 -8.419 7.415 -0.965 123 HA VAL 16 HA VAL 16 -9.657 5.348 0.557 124 HB VAL 16 HB VAL 16 -6.719 5.960 0.207 125 HG11 VAL 16 HG11 VAL 16 -8.170 3.560 1.296 126 HG12 VAL 16 HG12 VAL 16 -6.497 3.501 0.741 127 HG13 VAL 16 HG13 VAL 16 -6.942 4.546 2.091 128 HG21 VAL 16 HG21 VAL 16 -8.651 5.022 -1.643 129 HG22 VAL 16 HG22 VAL 16 -6.908 5.180 -1.864 130 HG23 VAL 16 HG23 VAL 16 -7.586 3.673 -1.246 131 H ARG 17 H ARG 17 -7.487 8.035 1.377 132 HA ARG 17 HA ARG 17 -7.218 7.451 4.108 133 HB2 ARG 17 HB2 ARG 17 -5.924 9.141 2.637 134 HB3 ARG 17 HB3 ARG 17 -7.226 10.256 3.029 135 HG2 ARG 17 HG2 ARG 17 -6.102 8.905 5.360 136 HG3 ARG 17 HG3 ARG 17 -4.943 9.905 4.482 137 HD2 ARG 17 HD2 ARG 17 -6.830 11.684 4.526 138 HD3 ARG 17 HD3 ARG 17 -7.493 10.702 5.832 139 HE ARG 17 HE ARG 17 -4.744 11.290 6.263 140 HH11 ARG 17 HH11 ARG 17 -7.943 12.649 6.459 141 HH12 ARG 17 HH12 ARG 17 -7.529 13.777 7.706 142 HH21 ARG 17 HH21 ARG 17 -4.186 12.772 7.905 143 HH22 ARG 17 HH22 ARG 17 -5.391 13.848 8.527 144 H LYS 18 H LYS 18 -9.726 9.084 2.310 145 HA LYS 18 HA LYS 18 -11.027 10.224 4.590 146 HB2 LYS 18 HB2 LYS 18 -11.723 9.872 1.699 147 HB3 LYS 18 HB3 LYS 18 -12.981 10.327 2.841 148 HG2 LYS 18 HG2 LYS 18 -11.854 12.339 3.410 149 HG3 LYS 18 HG3 LYS 18 -10.402 11.843 2.535 150 HD2 LYS 18 HD2 LYS 18 -11.196 12.654 0.617 151 HD3 LYS 18 HD3 LYS 18 -12.723 11.791 0.816 152 HE2 LYS 18 HE2 LYS 18 -12.391 14.120 2.570 153 HE3 LYS 18 HE3 LYS 18 -12.447 14.499 0.849 154 HZ1 LYS 18 HZ1 LYS 18 -14.650 14.471 1.216 155 HZ2 LYS 18 HZ2 LYS 18 -14.481 12.796 1.054 156 HZ3 LYS 18 HZ3 LYS 18 -14.536 13.495 2.594 157 H LYS 19 H LYS 19 -11.451 7.293 2.665 158 HA LYS 19 HA LYS 19 -13.830 6.425 3.933 159 HB2 LYS 19 HB2 LYS 19 -12.508 5.629 1.730 160 HB3 LYS 19 HB3 LYS 19 -11.956 4.394 2.854 161 HG2 LYS 19 HG2 LYS 19 -13.900 3.322 2.776 162 HG3 LYS 19 HG3 LYS 19 -14.819 4.809 3.019 163 HD2 LYS 19 HD2 LYS 19 -14.555 5.339 0.630 164 HD3 LYS 19 HD3 LYS 19 -13.680 3.822 0.403 165 HE2 LYS 19 HE2 LYS 19 -15.648 2.865 -0.010 166 HE3 LYS 19 HE3 LYS 19 -16.027 3.088 1.697 167 HZ1 LYS 19 HZ1 LYS 19 -16.891 4.664 -0.621 168 HZ2 LYS 19 HZ2 LYS 19 -17.782 4.141 0.720 169 HZ3 LYS 19 HZ3 LYS 19 -16.720 5.450 0.868 170 H PHE 20 H PHE 20 -10.404 5.754 4.510 171 HA PHE 20 HA PHE 20 -11.097 4.848 7.204 172 HB2 PHE 20 HB2 PHE 20 -9.115 3.326 5.514 173 HB3 PHE 20 HB3 PHE 20 -9.777 2.869 7.080 174 HD1 PHE 20 HD1 PHE 20 -9.979 2.334 3.637 175 HD2 PHE 20 HD2 PHE 20 -12.412 2.637 7.117 176 HE1 PHE 20 HE1 PHE 20 -11.750 1.052 2.507 177 HE2 PHE 20 HE2 PHE 20 -14.185 1.355 5.993 178 HZ PHE 20 HZ PHE 20 -13.855 0.560 3.686 179 HA PRO 21 HA PRO 21 -7.599 7.871 7.171 180 HB2 PRO 21 HB2 PRO 21 -8.509 9.282 9.302 181 HB3 PRO 21 HB3 PRO 21 -9.036 9.599 7.645 182 HG2 PRO 21 HG2 PRO 21 -10.406 8.042 9.803 183 HG3 PRO 21 HG3 PRO 21 -11.092 9.206 8.656 184 HD2 PRO 21 HD2 PRO 21 -11.300 6.528 8.312 185 HD3 PRO 21 HD3 PRO 21 -11.188 7.661 6.949 186 H GLN 22 H GLN 22 -9.071 5.859 9.616 187 HA GLN 22 HA GLN 22 -7.051 6.167 11.591 188 HB2 GLN 22 HB2 GLN 22 -9.537 4.933 11.451 189 HB3 GLN 22 HB3 GLN 22 -8.412 3.596 11.652 190 HG2 GLN 22 HG2 GLN 22 -7.526 4.589 13.663 191 HG3 GLN 22 HG3 GLN 22 -8.538 6.014 13.438 192 HE21 GLN 22 HE21 GLN 22 -10.115 6.026 14.859 193 HE22 GLN 22 HE22 GLN 22 -11.051 4.663 15.359 194 H VAL 23 H VAL 23 -7.373 4.207 8.748 195 HA VAL 23 HA VAL 23 -5.254 2.384 9.494 196 HB VAL 23 HB VAL 23 -7.300 1.909 7.945 197 HG11 VAL 23 HG11 VAL 23 -7.269 2.609 5.806 198 HG12 VAL 23 HG12 VAL 23 -6.217 3.878 6.436 199 HG13 VAL 23 HG13 VAL 23 -5.518 2.451 5.671 200 HG21 VAL 23 HG21 VAL 23 -6.245 -0.029 7.665 201 HG22 VAL 23 HG22 VAL 23 -5.080 0.705 6.564 202 HG23 VAL 23 HG23 VAL 23 -4.788 0.733 8.302 203 H GLU 24 H GLU 24 -3.401 2.058 7.956 204 HA GLU 24 HA GLU 24 -2.077 4.599 7.562 205 HB2 GLU 24 HB2 GLU 24 -1.213 1.726 7.377 206 HB3 GLU 24 HB3 GLU 24 -0.182 3.019 6.781 207 HG2 GLU 24 HG2 GLU 24 0.599 3.306 8.823 208 HG3 GLU 24 HG3 GLU 24 -1.012 3.783 9.356 209 H VAL 25 H VAL 25 -1.817 5.638 5.690 210 HA VAL 25 HA VAL 25 -2.313 4.186 3.182 211 HB VAL 25 HB VAL 25 -4.341 5.429 3.660 212 HG11 VAL 25 HG11 VAL 25 -2.747 7.976 3.617 213 HG12 VAL 25 HG12 VAL 25 -4.428 7.738 4.096 214 HG13 VAL 25 HG13 VAL 25 -3.125 7.126 5.117 215 HG21 VAL 25 HG21 VAL 25 -3.179 7.195 1.606 216 HG22 VAL 25 HG22 VAL 25 -3.002 5.463 1.321 217 HG23 VAL 25 HG23 VAL 25 -4.606 6.161 1.541 218 H ARG 26 H ARG 26 -0.711 4.414 1.773 219 HA ARG 26 HA ARG 26 0.840 6.895 1.736 220 HB2 ARG 26 HB2 ARG 26 2.111 4.153 1.810 221 HB3 ARG 26 HB3 ARG 26 2.957 5.689 1.678 222 HG2 ARG 26 HG2 ARG 26 1.211 5.021 4.026 223 HG3 ARG 26 HG3 ARG 26 2.919 4.582 3.957 224 HD2 ARG 26 HD2 ARG 26 3.570 6.877 3.778 225 HD3 ARG 26 HD3 ARG 26 1.895 7.390 3.586 226 HE ARG 26 HE ARG 26 2.211 6.031 6.038 227 HH11 ARG 26 HH11 ARG 26 2.997 9.041 4.476 228 HH12 ARG 26 HH12 ARG 26 3.033 9.948 5.952 229 HH21 ARG 26 HH21 ARG 26 2.256 7.214 7.989 230 HH22 ARG 26 HH22 ARG 26 2.612 8.907 7.949 231 H VAL 27 H VAL 27 0.785 7.643 -0.268 232 HA VAL 27 HA VAL 27 0.302 5.819 -2.491 233 HB VAL 27 HB VAL 27 -1.091 7.779 -2.461 234 HG11 VAL 27 HG11 VAL 27 0.671 9.905 -3.016 235 HG12 VAL 27 HG12 VAL 27 -0.346 9.682 -1.593 236 HG13 VAL 27 HG13 VAL 27 1.309 9.073 -1.597 237 HG21 VAL 27 HG21 VAL 27 -0.946 8.242 -4.679 238 HG22 VAL 27 HG22 VAL 27 0.785 8.573 -4.610 239 HG23 VAL 27 HG23 VAL 27 0.205 6.907 -4.629 240 H VAL 28 H VAL 28 1.773 5.284 -3.990 241 HA VAL 28 HA VAL 28 4.366 6.687 -3.941 242 HB VAL 28 HB VAL 28 5.520 4.630 -4.378 243 HG11 VAL 28 HG11 VAL 28 5.097 5.102 -2.042 244 HG12 VAL 28 HG12 VAL 28 3.535 4.291 -2.133 245 HG13 VAL 28 HG13 VAL 28 5.023 3.363 -2.322 246 HG21 VAL 28 HG21 VAL 28 3.888 2.506 -4.124 247 HG22 VAL 28 HG22 VAL 28 2.798 3.635 -4.931 248 HG23 VAL 28 HG23 VAL 28 4.338 3.208 -5.678 249 H THR 29 H THR 29 5.353 7.102 -5.889 250 HA THR 29 HA THR 29 3.858 6.356 -8.315 251 HB THR 29 HB THR 29 4.496 8.570 -9.283 252 HG1 THR 29 HG1 THR 29 5.377 10.114 -7.985 253 HG21 THR 29 HG21 THR 29 2.327 7.941 -7.829 254 HG22 THR 29 HG22 THR 29 2.951 9.276 -6.859 255 HG23 THR 29 HG23 THR 29 2.567 9.527 -8.562 256 H THR 30 H THR 30 6.950 7.150 -6.850 257 HA THR 30 HA THR 30 8.299 5.986 -9.200 258 HB THR 30 HB THR 30 10.147 7.488 -7.623 259 HG1 THR 30 HG1 THR 30 9.192 9.423 -7.448 260 HG21 THR 30 HG21 THR 30 8.992 8.046 -10.359 261 HG22 THR 30 HG22 THR 30 10.507 8.678 -9.713 262 HG23 THR 30 HG23 THR 30 10.334 6.951 -10.026 263 H GLU 31 H GLU 31 10.549 5.127 -8.584 264 HA GLU 31 HA GLU 31 10.205 3.040 -6.708 265 HB2 GLU 31 HB2 GLU 31 12.749 4.046 -7.998 266 HB3 GLU 31 HB3 GLU 31 12.562 2.508 -7.167 267 HG2 GLU 31 HG2 GLU 31 11.489 1.543 -8.898 268 HG3 GLU 31 HG3 GLU 31 10.671 3.032 -9.366 269 H GLU 32 H GLU 32 11.959 6.106 -6.599 270 HA GLU 32 HA GLU 32 13.216 5.684 -4.106 271 HB2 GLU 32 HB2 GLU 32 13.515 8.149 -4.089 272 HB3 GLU 32 HB3 GLU 32 14.024 7.401 -5.595 273 HG2 GLU 32 HG2 GLU 32 11.489 8.006 -6.227 274 HG3 GLU 32 HG3 GLU 32 11.824 9.284 -5.060 275 H ASP 33 H ASP 33 10.155 7.221 -5.003 276 HA ASP 33 HA ASP 33 9.420 8.197 -2.498 277 HB2 ASP 33 HB2 ASP 33 8.106 7.672 -5.044 278 HB3 ASP 33 HB3 ASP 33 7.031 7.404 -3.674 279 H ALA 34 H ALA 34 8.519 5.094 -4.007 280 HA ALA 34 HA ALA 34 7.076 4.030 -1.888 281 HB1 ALA 34 HB1 ALA 34 8.824 2.398 -3.714 282 HB2 ALA 34 HB2 ALA 34 7.326 1.914 -2.920 283 HB3 ALA 34 HB3 ALA 34 7.289 3.102 -4.222 284 H LYS 35 H LYS 35 10.558 3.909 -2.518 285 HA LYS 35 HA LYS 35 11.371 2.149 -0.560 286 HB2 LYS 35 HB2 LYS 35 12.630 3.853 -2.325 287 HB3 LYS 35 HB3 LYS 35 13.103 4.501 -0.760 288 HG2 LYS 35 HG2 LYS 35 14.200 2.548 -0.141 289 HG3 LYS 35 HG3 LYS 35 13.358 1.579 -1.352 290 HD2 LYS 35 HD2 LYS 35 15.014 1.917 -2.793 291 HD3 LYS 35 HD3 LYS 35 14.766 3.662 -2.688 292 HE2 LYS 35 HE2 LYS 35 16.407 3.934 -1.095 293 HE3 LYS 35 HE3 LYS 35 16.270 2.274 -0.518 294 HZ1 LYS 35 HZ1 LYS 35 18.311 2.499 -1.700 295 HZ2 LYS 35 HZ2 LYS 35 17.274 1.560 -2.652 296 HZ3 LYS 35 HZ3 LYS 35 17.541 3.186 -3.040 297 H GLN 36 H GLN 36 11.011 5.680 -0.230 298 HA GLN 36 HA GLN 36 11.606 5.753 2.526 299 HB2 GLN 36 HB2 GLN 36 10.545 7.618 0.510 300 HB3 GLN 36 HB3 GLN 36 10.033 7.949 2.159 301 HG2 GLN 36 HG2 GLN 36 12.168 8.406 2.878 302 HG3 GLN 36 HG3 GLN 36 12.917 7.463 1.589 303 HE21 GLN 36 HE21 GLN 36 12.913 8.351 -0.549 304 HE22 GLN 36 HE22 GLN 36 12.876 10.062 -0.777 305 H VAL 37 H VAL 37 8.692 5.079 0.755 306 HA VAL 37 HA VAL 37 6.867 5.489 2.903 307 HB VAL 37 HB VAL 37 6.624 3.926 0.334 308 HG11 VAL 37 HG11 VAL 37 4.127 4.036 0.905 309 HG12 VAL 37 HG12 VAL 37 5.108 2.826 1.732 310 HG13 VAL 37 HG13 VAL 37 4.655 4.313 2.564 311 HG21 VAL 37 HG21 VAL 37 6.433 6.024 -0.441 312 HG22 VAL 37 HG22 VAL 37 4.815 5.962 0.257 313 HG23 VAL 37 HG23 VAL 37 6.138 6.695 1.164 314 H VAL 38 H VAL 38 8.129 2.504 1.406 315 HA VAL 38 HA VAL 38 7.017 0.687 3.187 316 HB VAL 38 HB VAL 38 8.857 -0.850 2.532 317 HG11 VAL 38 HG11 VAL 38 8.347 -0.790 0.070 318 HG12 VAL 38 HG12 VAL 38 6.938 -0.801 1.130 319 HG13 VAL 38 HG13 VAL 38 7.455 0.702 0.366 320 HG21 VAL 38 HG21 VAL 38 10.516 -0.109 0.902 321 HG22 VAL 38 HG22 VAL 38 9.884 1.535 0.995 322 HG23 VAL 38 HG23 VAL 38 10.655 0.807 2.403 323 H LYS 39 H LYS 39 9.930 2.625 3.463 324 HA LYS 39 HA LYS 39 10.986 1.291 5.742 325 HB2 LYS 39 HB2 LYS 39 11.474 4.044 4.600 326 HB3 LYS 39 HB3 LYS 39 12.352 3.403 5.983 327 HG2 LYS 39 HG2 LYS 39 12.377 1.567 3.744 328 HG3 LYS 39 HG3 LYS 39 13.043 3.146 3.320 329 HD2 LYS 39 HD2 LYS 39 13.941 2.126 5.915 330 HD3 LYS 39 HD3 LYS 39 14.426 1.129 4.541 331 HE2 LYS 39 HE2 LYS 39 15.182 3.336 3.468 332 HE3 LYS 39 HE3 LYS 39 15.056 4.012 5.092 333 HZ1 LYS 39 HZ1 LYS 39 17.152 3.304 5.292 334 HZ2 LYS 39 HZ2 LYS 39 16.478 1.769 5.516 335 HZ3 LYS 39 HZ3 LYS 39 17.040 2.232 3.988 336 H GLU 40 H GLU 40 8.984 4.184 5.310 337 HA GLU 40 HA GLU 40 8.903 5.011 7.978 338 HB2 GLU 40 HB2 GLU 40 7.860 5.948 5.643 339 HB3 GLU 40 HB3 GLU 40 6.409 5.361 6.444 340 HG2 GLU 40 HG2 GLU 40 6.467 6.961 8.032 341 HG3 GLU 40 HG3 GLU 40 8.229 7.004 8.082 342 H VAL 41 H VAL 41 6.709 2.853 6.198 343 HA VAL 41 HA VAL 41 5.006 2.328 8.403 344 HB VAL 41 HB VAL 41 4.181 0.418 7.063 345 HG11 VAL 41 HG11 VAL 41 3.645 2.966 6.690 346 HG12 VAL 41 HG12 VAL 41 4.431 2.676 5.138 347 HG13 VAL 41 HG13 VAL 41 3.012 1.736 5.597 348 HG21 VAL 41 HG21 VAL 41 6.220 -0.326 6.031 349 HG22 VAL 41 HG22 VAL 41 5.085 0.135 4.761 350 HG23 VAL 41 HG23 VAL 41 6.410 1.215 5.194 351 H GLN 42 H GLN 42 7.895 0.762 7.141 352 HA GLN 42 HA GLN 42 7.814 -1.627 8.551 353 HB2 GLN 42 HB2 GLN 42 9.463 -1.052 6.778 354 HB3 GLN 42 HB3 GLN 42 10.282 0.002 7.924 355 HG2 GLN 42 HG2 GLN 42 11.003 -1.792 9.237 356 HG3 GLN 42 HG3 GLN 42 9.856 -2.907 8.497 357 HE21 GLN 42 HE21 GLN 42 11.141 -4.412 7.639 358 HE22 GLN 42 HE22 GLN 42 12.396 -4.108 6.491 359 H LYS 43 H LYS 43 9.024 1.541 9.558 360 HA LYS 43 HA LYS 43 9.955 0.636 12.103 361 HB2 LYS 43 HB2 LYS 43 10.104 3.016 10.575 362 HB3 LYS 43 HB3 LYS 43 9.363 3.443 12.113 363 HG2 LYS 43 HG2 LYS 43 11.233 2.582 13.329 364 HG3 LYS 43 HG3 LYS 43 11.943 1.914 11.857 365 HD2 LYS 43 HD2 LYS 43 12.120 4.227 10.963 366 HD3 LYS 43 HD3 LYS 43 11.545 4.832 12.518 367 HE2 LYS 43 HE2 LYS 43 13.676 4.870 13.164 368 HE3 LYS 43 HE3 LYS 43 13.614 3.108 13.177 369 HZ1 LYS 43 HZ1 LYS 43 15.183 3.167 11.630 370 HZ2 LYS 43 HZ2 LYS 43 14.040 3.799 10.553 371 HZ3 LYS 43 HZ3 LYS 43 15.041 4.842 11.433 372 H LYS 44 H LYS 44 6.976 2.056 10.897 373 HA LYS 44 HA LYS 44 5.797 2.574 13.420 374 HB2 LYS 44 HB2 LYS 44 5.150 3.213 10.869 375 HB3 LYS 44 HB3 LYS 44 4.007 1.909 11.162 376 HG2 LYS 44 HG2 LYS 44 2.763 3.142 12.558 377 HG3 LYS 44 HG3 LYS 44 4.171 3.897 13.311 378 HD2 LYS 44 HD2 LYS 44 3.430 4.635 10.513 379 HD3 LYS 44 HD3 LYS 44 2.516 5.319 11.861 380 HE2 LYS 44 HE2 LYS 44 5.515 5.410 11.792 381 HE3 LYS 44 HE3 LYS 44 4.542 6.629 10.971 382 HZ1 LYS 44 HZ1 LYS 44 4.317 7.669 12.895 383 HZ2 LYS 44 HZ2 LYS 44 3.524 6.325 13.550 384 HZ3 LYS 44 HZ3 LYS 44 5.204 6.470 13.693 385 H GLY 45 H GLY 45 5.832 -0.231 11.292 386 HA2 GLY 45 HA2 GLY 45 5.734 -2.418 12.395 387 HA3 GLY 45 HA3 GLY 45 4.484 -1.753 13.436 388 H VAL 46 H VAL 46 5.175 -2.386 10.003 389 HA VAL 46 HA VAL 46 2.304 -2.702 9.518 390 HB VAL 46 HB VAL 46 3.670 -1.264 7.989 391 HG11 VAL 46 HG11 VAL 46 5.173 -2.262 6.409 392 HG12 VAL 46 HG12 VAL 46 5.687 -2.724 8.032 393 HG13 VAL 46 HG13 VAL 46 4.816 -3.878 7.021 394 HG21 VAL 46 HG21 VAL 46 2.596 -2.019 5.981 395 HG22 VAL 46 HG22 VAL 46 2.437 -3.654 6.627 396 HG23 VAL 46 HG23 VAL 46 1.514 -2.330 7.340 397 H GLN 47 H GLN 47 1.500 -4.546 8.376 398 HA GLN 47 HA GLN 47 3.185 -6.945 8.677 399 HB2 GLN 47 HB2 GLN 47 1.509 -7.084 10.359 400 HB3 GLN 47 HB3 GLN 47 0.248 -6.573 9.246 401 HG2 GLN 47 HG2 GLN 47 0.056 -8.633 8.291 402 HG3 GLN 47 HG3 GLN 47 1.731 -9.067 8.626 403 HE21 GLN 47 HE21 GLN 47 -1.448 -9.505 9.524 404 HE22 GLN 47 HE22 GLN 47 -1.192 -10.250 11.061 405 H LYS 48 H LYS 48 0.759 -5.264 6.789 406 HA LYS 48 HA LYS 48 1.310 -7.106 4.558 407 HB2 LYS 48 HB2 LYS 48 -1.326 -5.715 5.047 408 HB3 LYS 48 HB3 LYS 48 -0.971 -6.916 3.811 409 HG2 LYS 48 HG2 LYS 48 -0.833 -7.489 6.759 410 HG3 LYS 48 HG3 LYS 48 -2.278 -7.748 5.778 411 HD2 LYS 48 HD2 LYS 48 -0.596 -9.087 4.257 412 HD3 LYS 48 HD3 LYS 48 0.325 -9.200 5.759 413 HE2 LYS 48 HE2 LYS 48 -2.567 -9.999 5.460 414 HE3 LYS 48 HE3 LYS 48 -1.208 -11.119 5.365 415 HZ1 LYS 48 HZ1 LYS 48 -2.097 -11.177 7.563 416 HZ2 LYS 48 HZ2 LYS 48 -0.593 -10.403 7.638 417 HZ3 LYS 48 HZ3 LYS 48 -2.017 -9.493 7.713 418 H VAL 49 H VAL 49 0.758 -6.089 2.400 419 HA VAL 49 HA VAL 49 1.005 -3.189 2.329 420 HB VAL 49 HB VAL 49 3.034 -4.973 0.973 421 HG11 VAL 49 HG11 VAL 49 3.270 -3.283 -0.456 422 HG12 VAL 49 HG12 VAL 49 2.167 -2.265 0.469 423 HG13 VAL 49 HG13 VAL 49 3.879 -2.322 0.890 424 HG21 VAL 49 HG21 VAL 49 3.612 -4.876 3.260 425 HG22 VAL 49 HG22 VAL 49 4.631 -3.681 2.459 426 HG23 VAL 49 HG23 VAL 49 3.212 -3.161 3.368 427 H VAL 50 H VAL 50 -0.561 -2.585 0.995 428 HA VAL 50 HA VAL 50 -1.105 -4.238 -1.385 429 HB VAL 50 HB VAL 50 -3.025 -2.322 -0.061 430 HG11 VAL 50 HG11 VAL 50 -4.013 -2.554 -2.064 431 HG12 VAL 50 HG12 VAL 50 -3.077 -3.992 -2.472 432 HG13 VAL 50 HG13 VAL 50 -4.505 -4.131 -1.447 433 HG21 VAL 50 HG21 VAL 50 -2.918 -5.328 0.186 434 HG22 VAL 50 HG22 VAL 50 -2.457 -4.184 1.446 435 HG23 VAL 50 HG23 VAL 50 -4.130 -4.261 0.894 436 H VAL 51 H VAL 51 -1.185 -3.290 -3.374 437 HA VAL 51 HA VAL 51 -0.770 -0.383 -3.526 438 HB VAL 51 HB VAL 51 1.345 -1.884 -3.873 439 HG11 VAL 51 HG11 VAL 51 1.687 -2.665 -6.116 440 HG12 VAL 51 HG12 VAL 51 0.197 -3.379 -5.498 441 HG13 VAL 51 HG13 VAL 51 0.124 -2.025 -6.626 442 HG21 VAL 51 HG21 VAL 51 2.130 -0.272 -5.653 443 HG22 VAL 51 HG22 VAL 51 0.491 0.380 -5.664 444 HG23 VAL 51 HG23 VAL 51 1.463 0.460 -4.194 445 H VAL 52 H VAL 52 -1.592 0.634 -5.365 446 HA VAL 52 HA VAL 52 -3.286 -1.044 -7.098 447 HB VAL 52 HB VAL 52 -4.025 1.752 -6.251 448 HG11 VAL 52 HG11 VAL 52 -5.839 1.513 -7.540 449 HG12 VAL 52 HG12 VAL 52 -4.955 0.187 -8.296 450 HG13 VAL 52 HG13 VAL 52 -6.111 -0.146 -7.006 451 HG21 VAL 52 HG21 VAL 52 -4.482 0.938 -4.223 452 HG22 VAL 52 HG22 VAL 52 -5.789 0.037 -4.992 453 HG23 VAL 52 HG23 VAL 52 -4.217 -0.725 -4.746 454 H GLY 53 H GLY 53 -3.247 -0.613 -9.253 455 HA2 GLY 53 HA2 GLY 53 -2.507 0.248 -11.246 456 HA3 GLY 53 HA3 GLY 53 -2.507 1.812 -10.446 457 H VAL 54 H VAL 54 -0.558 -0.807 -9.243 458 HA VAL 54 HA VAL 54 1.844 0.589 -10.234 459 HB VAL 54 HB VAL 54 1.354 -0.802 -7.609 460 HG11 VAL 54 HG11 VAL 54 3.987 -0.072 -8.878 461 HG12 VAL 54 HG12 VAL 54 3.787 -0.400 -7.156 462 HG13 VAL 54 HG13 VAL 54 3.454 -1.665 -8.340 463 HG21 VAL 54 HG21 VAL 54 2.395 1.389 -6.803 464 HG22 VAL 54 HG22 VAL 54 2.140 1.974 -8.447 465 HG23 VAL 54 HG23 VAL 54 0.764 1.465 -7.469 466 H SER 55 H SER 55 3.497 -0.605 -11.097 467 HA SER 55 HA SER 55 2.880 -3.043 -12.330 468 HB2 SER 55 HB2 SER 55 5.748 -2.487 -11.861 469 HB3 SER 55 HB3 SER 55 4.893 -2.819 -13.368 470 HG SER 55 HG SER 55 4.561 -0.744 -13.648 471 H GLU 56 H GLU 56 3.276 -5.148 -11.834 472 HA GLU 56 HA GLU 56 3.532 -5.860 -9.106 473 HB2 GLU 56 HB2 GLU 56 3.585 -8.187 -9.941 474 HB3 GLU 56 HB3 GLU 56 2.267 -7.252 -10.633 475 HG2 GLU 56 HG2 GLU 56 3.573 -6.929 -12.676 476 HG3 GLU 56 HG3 GLU 56 4.881 -7.888 -11.982 477 H LYS 57 H LYS 57 5.778 -5.844 -11.821 478 HA LYS 57 HA LYS 57 7.889 -7.246 -10.633 479 HB2 LYS 57 HB2 LYS 57 9.304 -6.254 -12.322 480 HB3 LYS 57 HB3 LYS 57 7.753 -6.668 -13.041 481 HG2 LYS 57 HG2 LYS 57 7.119 -4.222 -12.577 482 HG3 LYS 57 HG3 LYS 57 8.853 -3.968 -12.369 483 HD2 LYS 57 HD2 LYS 57 8.428 -3.469 -14.627 484 HD3 LYS 57 HD3 LYS 57 9.123 -5.092 -14.642 485 HE2 LYS 57 HE2 LYS 57 7.236 -6.017 -15.428 486 HE3 LYS 57 HE3 LYS 57 6.208 -5.040 -14.381 487 HZ1 LYS 57 HZ1 LYS 57 6.871 -3.160 -16.016 488 HZ2 LYS 57 HZ2 LYS 57 7.225 -4.433 -17.072 489 HZ3 LYS 57 HZ3 LYS 57 5.660 -4.258 -16.452 490 H VAL 58 H VAL 58 6.843 -3.930 -10.305 491 HA VAL 58 HA VAL 58 9.216 -2.971 -9.043 492 HB VAL 58 HB VAL 58 6.411 -1.848 -8.974 493 HG11 VAL 58 HG11 VAL 58 7.243 -0.548 -7.353 494 HG12 VAL 58 HG12 VAL 58 8.905 -1.030 -7.694 495 HG13 VAL 58 HG13 VAL 58 8.144 0.246 -8.644 496 HG21 VAL 58 HG21 VAL 58 8.372 -0.417 -10.554 497 HG22 VAL 58 HG22 VAL 58 8.151 -2.073 -11.121 498 HG23 VAL 58 HG23 VAL 58 6.765 -0.990 -11.000 499 H VAL 59 H VAL 59 5.960 -3.650 -7.744 500 HA VAL 59 HA VAL 59 6.689 -3.396 -5.038 501 HB VAL 59 HB VAL 59 4.589 -4.689 -4.576 502 HG11 VAL 59 HG11 VAL 59 3.756 -2.676 -6.559 503 HG12 VAL 59 HG12 VAL 59 3.363 -2.815 -4.845 504 HG13 VAL 59 HG13 VAL 59 4.906 -2.121 -5.342 505 HG21 VAL 59 HG21 VAL 59 3.119 -5.212 -6.464 506 HG22 VAL 59 HG22 VAL 59 4.391 -4.728 -7.587 507 HG23 VAL 59 HG23 VAL 59 4.623 -6.130 -6.543 508 H GLN 60 H GLN 60 6.692 -6.138 -7.239 509 HA GLN 60 HA GLN 60 7.009 -8.214 -5.411 510 HB2 GLN 60 HB2 GLN 60 6.581 -8.562 -7.806 511 HB3 GLN 60 HB3 GLN 60 8.195 -7.974 -8.182 512 HG2 GLN 60 HG2 GLN 60 8.519 -10.234 -8.264 513 HG3 GLN 60 HG3 GLN 60 8.955 -9.894 -6.591 514 HE21 GLN 60 HE21 GLN 60 7.715 -10.689 -4.954 515 HE22 GLN 60 HE22 GLN 60 6.399 -11.782 -5.196 516 H LYS 61 H LYS 61 9.517 -6.327 -7.091 517 HA LYS 61 HA LYS 61 11.742 -7.559 -5.950 518 HB2 LYS 61 HB2 LYS 61 11.198 -5.173 -7.491 519 HB3 LYS 61 HB3 LYS 61 12.429 -4.860 -6.276 520 HG2 LYS 61 HG2 LYS 61 13.900 -6.405 -7.181 521 HG3 LYS 61 HG3 LYS 61 12.622 -7.263 -8.046 522 HD2 LYS 61 HD2 LYS 61 12.432 -5.543 -9.660 523 HD3 LYS 61 HD3 LYS 61 13.399 -4.428 -8.691 524 HE2 LYS 61 HE2 LYS 61 14.910 -5.128 -10.298 525 HE3 LYS 61 HE3 LYS 61 15.260 -6.213 -8.954 526 HZ1 LYS 61 HZ1 LYS 61 13.407 -6.936 -11.149 527 HZ2 LYS 61 HZ2 LYS 61 15.064 -7.275 -11.205 528 HZ3 LYS 61 HZ3 LYS 61 14.101 -7.959 -9.994 529 H VAL 62 H VAL 62 10.373 -4.402 -4.995 530 HA VAL 62 HA VAL 62 11.831 -4.023 -2.686 531 HB VAL 62 HB VAL 62 8.958 -3.214 -3.151 532 HG11 VAL 62 HG11 VAL 62 9.248 -2.831 -0.897 533 HG12 VAL 62 HG12 VAL 62 10.971 -2.494 -1.067 534 HG13 VAL 62 HG13 VAL 62 9.783 -1.298 -1.583 535 HG21 VAL 62 HG21 VAL 62 9.801 -1.917 -4.755 536 HG22 VAL 62 HG22 VAL 62 10.620 -1.012 -3.482 537 HG23 VAL 62 HG23 VAL 62 11.457 -2.326 -4.310 538 H LYS 63 H LYS 63 8.691 -5.651 -3.028 539 HA LYS 63 HA LYS 63 8.167 -6.224 -0.380 540 HB2 LYS 63 HB2 LYS 63 6.484 -6.727 -1.961 541 HB3 LYS 63 HB3 LYS 63 7.562 -7.745 -2.907 542 HG2 LYS 63 HG2 LYS 63 7.107 -8.609 -0.131 543 HG3 LYS 63 HG3 LYS 63 5.707 -8.687 -1.203 544 HD2 LYS 63 HD2 LYS 63 6.526 -10.462 -2.282 545 HD3 LYS 63 HD3 LYS 63 8.109 -9.705 -2.473 546 HE2 LYS 63 HE2 LYS 63 8.791 -11.341 -1.088 547 HE3 LYS 63 HE3 LYS 63 8.139 -10.293 0.170 548 HZ1 LYS 63 HZ1 LYS 63 6.193 -11.549 0.305 549 HZ2 LYS 63 HZ2 LYS 63 6.470 -12.333 -1.169 550 HZ3 LYS 63 HZ3 LYS 63 7.418 -12.709 0.181 551 H GLN 64 H GLN 64 10.195 -8.021 -2.659 552 HA GLN 64 HA GLN 64 10.763 -10.220 -1.026 553 HB2 GLN 64 HB2 GLN 64 11.593 -9.248 -3.549 554 HB3 GLN 64 HB3 GLN 64 13.054 -9.544 -2.617 555 HG2 GLN 64 HG2 GLN 64 12.180 -11.832 -2.126 556 HG3 GLN 64 HG3 GLN 64 10.871 -11.507 -3.263 557 HE21 GLN 64 HE21 GLN 64 13.592 -13.136 -3.026 558 HE22 GLN 64 HE22 GLN 64 14.194 -13.030 -4.642 559 H GLU 65 H GLU 65 12.461 -7.126 -1.388 560 HA GLU 65 HA GLU 65 14.395 -7.820 0.643 561 HB2 GLU 65 HB2 GLU 65 13.929 -5.117 -0.620 562 HB3 GLU 65 HB3 GLU 65 15.375 -5.670 0.213 563 HG2 GLU 65 HG2 GLU 65 15.427 -7.484 -1.647 564 HG3 GLU 65 HG3 GLU 65 14.381 -6.360 -2.511 565 H ALA 66 H ALA 66 11.250 -6.937 0.777 566 HA ALA 66 HA ALA 66 11.531 -5.214 3.129 567 HB1 ALA 66 HB1 ALA 66 9.350 -5.745 1.185 568 HB2 ALA 66 HB2 ALA 66 8.902 -5.278 2.825 569 HB3 ALA 66 HB3 ALA 66 9.925 -4.218 1.854 570 H ASN 67 H ASN 67 10.571 -8.414 2.161 571 HA ASN 67 HA ASN 67 10.100 -10.291 3.361 572 HB2 ASN 67 HB2 ASN 67 11.992 -9.277 4.815 573 HB3 ASN 67 HB3 ASN 67 10.694 -8.814 5.912 574 HD21 ASN 67 HD21 ASN 67 10.877 -10.147 7.576 575 HD22 ASN 67 HD22 ASN 67 10.937 -11.871 7.480 576 H VAL 68 H VAL 68 7.962 -8.824 2.615 577 HA VAL 68 HA VAL 68 6.084 -9.353 4.786 578 HB VAL 68 HB VAL 68 4.917 -7.239 4.514 579 HG11 VAL 68 HG11 VAL 68 6.672 -7.391 6.212 580 HG12 VAL 68 HG12 VAL 68 7.857 -6.818 5.038 581 HG13 VAL 68 HG13 VAL 68 6.548 -5.757 5.557 582 HG21 VAL 68 HG21 VAL 68 6.096 -5.401 3.224 583 HG22 VAL 68 HG22 VAL 68 7.065 -6.676 2.486 584 HG23 VAL 68 HG23 VAL 68 5.316 -6.655 2.261 585 H GLN 69 H GLN 69 3.757 -8.999 3.926 586 HA GLN 69 HA GLN 69 3.568 -10.490 1.443 587 HB2 GLN 69 HB2 GLN 69 2.007 -10.265 3.820 588 HB3 GLN 69 HB3 GLN 69 0.995 -9.813 2.454 589 HG2 GLN 69 HG2 GLN 69 0.884 -12.214 3.049 590 HG3 GLN 69 HG3 GLN 69 1.378 -11.908 1.385 591 HE21 GLN 69 HE21 GLN 69 2.457 -13.806 1.086 592 HE22 GLN 69 HE22 GLN 69 3.918 -14.214 1.913 593 H VAL 70 H VAL 70 3.143 -9.622 -0.473 594 HA VAL 70 HA VAL 70 2.202 -6.834 -0.563 595 HB VAL 70 HB VAL 70 4.415 -7.226 -1.579 596 HG11 VAL 70 HG11 VAL 70 3.512 -9.600 -2.393 597 HG12 VAL 70 HG12 VAL 70 3.228 -8.680 -3.870 598 HG13 VAL 70 HG13 VAL 70 4.851 -8.770 -3.186 599 HG21 VAL 70 HG21 VAL 70 2.175 -5.935 -2.753 600 HG22 VAL 70 HG22 VAL 70 3.881 -5.513 -2.889 601 HG23 VAL 70 HG23 VAL 70 3.153 -6.622 -4.051 602 H TYR 71 H TYR 71 0.384 -6.305 -1.650 603 HA TYR 71 HA TYR 71 -0.944 -8.391 -3.239 604 HB2 TYR 71 HB2 TYR 71 -2.336 -6.608 -1.232 605 HB3 TYR 71 HB3 TYR 71 -3.096 -7.833 -2.241 606 HD1 TYR 71 HD1 TYR 71 -2.361 -7.253 0.979 607 HD2 TYR 71 HD2 TYR 71 -1.505 -10.173 -1.994 608 HE1 TYR 71 HE1 TYR 71 -1.983 -8.927 2.740 609 HE2 TYR 71 HE2 TYR 71 -1.126 -11.856 -0.242 610 HH TYR 71 HH TYR 71 -1.298 -12.307 1.945 611 H ARG 72 H ARG 72 -2.090 -7.686 -5.006 612 HA ARG 72 HA ARG 72 -1.743 -4.845 -5.680 613 HB2 ARG 72 HB2 ARG 72 -1.739 -5.461 -7.974 614 HB3 ARG 72 HB3 ARG 72 -0.692 -6.611 -7.152 615 HG2 ARG 72 HG2 ARG 72 -2.951 -7.997 -7.030 616 HG3 ARG 72 HG3 ARG 72 -3.318 -7.024 -8.457 617 HD2 ARG 72 HD2 ARG 72 -0.683 -8.415 -8.244 618 HD3 ARG 72 HD3 ARG 72 -2.116 -9.331 -8.706 619 HE ARG 72 HE ARG 72 -0.672 -7.476 -10.324 620 HH11 ARG 72 HH11 ARG 72 -3.829 -8.806 -9.713 621 HH12 ARG 72 HH12 ARG 72 -4.410 -8.508 -11.318 622 HH21 ARG 72 HH21 ARG 72 -1.424 -7.077 -12.440 623 HH22 ARG 72 HH22 ARG 72 -3.041 -7.525 -12.868 624 H VAL 73 H VAL 73 -3.449 -3.658 -6.564 625 HA VAL 73 HA VAL 73 -6.106 -4.904 -6.496 626 HB VAL 73 HB VAL 73 -5.381 -2.292 -5.163 627 HG11 VAL 73 HG11 VAL 73 -7.905 -3.283 -6.225 628 HG12 VAL 73 HG12 VAL 73 -7.992 -2.863 -4.514 629 HG13 VAL 73 HG13 VAL 73 -7.458 -1.663 -5.691 630 HG21 VAL 73 HG21 VAL 73 -6.117 -3.369 -3.120 631 HG22 VAL 73 HG22 VAL 73 -6.516 -4.838 -4.009 632 HG23 VAL 73 HG23 VAL 73 -4.837 -4.319 -3.873 633 H THR 74 H THR 74 -7.413 -4.317 -8.131 634 HA THR 74 HA THR 74 -6.477 -2.154 -9.900 635 HB THR 74 HB THR 74 -7.654 -3.332 -11.737 636 HG1 THR 74 HG1 THR 74 -7.974 -5.390 -9.786 637 HG21 THR 74 HG21 THR 74 -5.350 -4.444 -10.261 638 HG22 THR 74 HG22 THR 74 -6.080 -5.506 -11.465 639 HG23 THR 74 HG23 THR 74 -5.474 -3.918 -11.940 640 H SER 75 H SER 75 -9.233 -3.592 -8.285 641 HA SER 75 HA SER 75 -10.912 -1.354 -9.202 642 HB2 SER 75 HB2 SER 75 -12.288 -3.558 -7.845 643 HB3 SER 75 HB3 SER 75 -12.661 -2.769 -9.377 644 HG SER 75 HG SER 75 -12.018 -5.024 -9.526 645 H ASN 76 H ASN 76 -12.512 -0.555 -7.607 646 HA ASN 76 HA ASN 76 -11.215 0.184 -5.193 647 HB2 ASN 76 HB2 ASN 76 -13.113 1.520 -4.748 648 HB3 ASN 76 HB3 ASN 76 -12.957 1.522 -6.503 649 HD21 ASN 76 HD21 ASN 76 -15.108 1.315 -4.078 650 HD22 ASN 76 HD22 ASN 76 -16.367 0.430 -4.861 651 H ASP 77 H ASP 77 -13.572 -2.258 -6.037 652 HA ASP 77 HA ASP 77 -14.485 -2.892 -3.456 653 HB2 ASP 77 HB2 ASP 77 -14.341 -4.415 -6.042 654 HB3 ASP 77 HB3 ASP 77 -14.884 -5.211 -4.567 655 H GLU 78 H GLU 78 -11.546 -3.664 -5.133 656 HA GLU 78 HA GLU 78 -10.795 -5.837 -3.415 657 HB2 GLU 78 HB2 GLU 78 -9.524 -4.320 -5.637 658 HB3 GLU 78 HB3 GLU 78 -8.461 -5.167 -4.522 659 HG2 GLU 78 HG2 GLU 78 -10.587 -6.908 -5.275 660 HG3 GLU 78 HG3 GLU 78 -9.870 -6.207 -6.725 661 H VAL 79 H VAL 79 -10.332 -2.378 -3.463 662 HA VAL 79 HA VAL 79 -8.216 -2.273 -1.570 663 HB VAL 79 HB VAL 79 -10.245 -0.159 -2.306 664 HG11 VAL 79 HG11 VAL 79 -7.702 -0.026 -0.702 665 HG12 VAL 79 HG12 VAL 79 -8.457 1.393 -1.427 666 HG13 VAL 79 HG13 VAL 79 -9.327 0.456 -0.212 667 HG21 VAL 79 HG21 VAL 79 -8.933 -0.876 -4.217 668 HG22 VAL 79 HG22 VAL 79 -8.433 0.738 -3.713 669 HG23 VAL 79 HG23 VAL 79 -7.440 -0.661 -3.301 670 H GLU 80 H GLU 80 -11.722 -1.711 -1.273 671 HA GLU 80 HA GLU 80 -11.660 -1.366 1.545 672 HB2 GLU 80 HB2 GLU 80 -14.133 -1.647 1.388 673 HB3 GLU 80 HB3 GLU 80 -13.485 -0.435 0.291 674 HG2 GLU 80 HG2 GLU 80 -14.396 -1.463 -1.435 675 HG3 GLU 80 HG3 GLU 80 -13.529 -2.947 -1.046 676 H GLN 81 H GLN 81 -12.032 -4.136 -0.558 677 HA GLN 81 HA GLN 81 -13.013 -5.956 1.366 678 HB2 GLN 81 HB2 GLN 81 -13.223 -6.501 -0.955 679 HB3 GLN 81 HB3 GLN 81 -11.487 -6.368 -1.205 680 HG2 GLN 81 HG2 GLN 81 -12.131 -8.683 -1.172 681 HG3 GLN 81 HG3 GLN 81 -11.145 -8.320 0.244 682 HE21 GLN 81 HE21 GLN 81 -11.834 -9.510 1.868 683 HE22 GLN 81 HE22 GLN 81 -13.482 -9.755 2.325 684 H VAL 82 H VAL 82 -9.715 -5.423 0.127 685 HA VAL 82 HA VAL 82 -8.416 -7.272 1.772 686 HB VAL 82 HB VAL 82 -7.360 -4.692 0.608 687 HG11 VAL 82 HG11 VAL 82 -6.037 -6.889 2.134 688 HG12 VAL 82 HG12 VAL 82 -5.147 -6.061 0.855 689 HG13 VAL 82 HG13 VAL 82 -5.782 -5.146 2.222 690 HG21 VAL 82 HG21 VAL 82 -6.846 -5.832 -1.294 691 HG22 VAL 82 HG22 VAL 82 -6.637 -7.367 -0.450 692 HG23 VAL 82 HG23 VAL 82 -8.258 -6.764 -0.797 693 H VAL 83 H VAL 83 -8.916 -3.779 2.248 694 HA VAL 83 HA VAL 83 -7.641 -3.623 4.754 695 HB VAL 83 HB VAL 83 -9.842 -1.872 3.649 696 HG11 VAL 83 HG11 VAL 83 -8.083 -1.664 6.055 697 HG12 VAL 83 HG12 VAL 83 -8.608 -0.199 5.225 698 HG13 VAL 83 HG13 VAL 83 -9.804 -1.314 5.887 699 HG21 VAL 83 HG21 VAL 83 -6.889 -1.305 3.642 700 HG22 VAL 83 HG22 VAL 83 -7.695 -2.123 2.303 701 HG23 VAL 83 HG23 VAL 83 -8.168 -0.483 2.747 702 H LYS 84 H LYS 84 -11.036 -4.111 3.861 703 HA LYS 84 HA LYS 84 -12.273 -3.970 6.298 704 HB2 LYS 84 HB2 LYS 84 -12.764 -5.486 3.806 705 HB3 LYS 84 HB3 LYS 84 -13.598 -6.075 5.237 706 HG2 LYS 84 HG2 LYS 84 -14.803 -4.098 5.497 707 HG3 LYS 84 HG3 LYS 84 -13.705 -3.185 4.459 708 HD2 LYS 84 HD2 LYS 84 -15.336 -3.494 2.927 709 HD3 LYS 84 HD3 LYS 84 -14.553 -5.062 2.720 710 HE2 LYS 84 HE2 LYS 84 -16.474 -5.046 4.904 711 HE3 LYS 84 HE3 LYS 84 -17.207 -4.623 3.357 712 HZ1 LYS 84 HZ1 LYS 84 -16.870 -7.121 4.167 713 HZ2 LYS 84 HZ2 LYS 84 -16.869 -6.679 2.534 714 HZ3 LYS 84 HZ3 LYS 84 -15.404 -6.907 3.349 715 H ASP 85 H ASP 85 -11.242 -7.080 4.887 716 HA ASP 85 HA ASP 85 -11.388 -8.449 7.367 717 HB2 ASP 85 HB2 ASP 85 -10.926 -9.117 4.630 718 HB3 ASP 85 HB3 ASP 85 -9.642 -9.835 5.597 719 H VAL 86 H VAL 86 -8.892 -6.651 5.762 720 HA VAL 86 HA VAL 86 -6.861 -5.915 6.501 721 HB VAL 86 HB VAL 86 -7.369 -7.389 9.083 722 HG11 VAL 86 HG11 VAL 86 -5.619 -5.049 8.340 723 HG12 VAL 86 HG12 VAL 86 -5.918 -5.578 9.996 724 HG13 VAL 86 HG13 VAL 86 -5.100 -6.653 8.861 725 HG21 VAL 86 HG21 VAL 86 -8.371 -5.356 9.948 726 HG22 VAL 86 HG22 VAL 86 -8.167 -4.564 8.385 727 HG23 VAL 86 HG23 VAL 86 -9.276 -5.926 8.545 728 H LYS 87 H LYS 87 -7.142 -9.053 8.164 729 HA LYS 87 HA LYS 87 -4.557 -9.861 7.175 730 HB2 LYS 87 HB2 LYS 87 -5.368 -10.413 9.469 731 HB3 LYS 87 HB3 LYS 87 -6.579 -11.466 8.749 732 HG2 LYS 87 HG2 LYS 87 -4.469 -12.547 7.602 733 HG3 LYS 87 HG3 LYS 87 -3.641 -11.835 8.989 734 HD2 LYS 87 HD2 LYS 87 -4.619 -13.251 10.467 735 HD3 LYS 87 HD3 LYS 87 -6.135 -13.316 9.565 736 HE2 LYS 87 HE2 LYS 87 -5.142 -15.477 9.447 737 HE3 LYS 87 HE3 LYS 87 -4.958 -14.726 7.864 738 HZ1 LYS 87 HZ1 LYS 87 -2.769 -14.332 9.737 739 HZ2 LYS 87 HZ2 LYS 87 -2.965 -15.905 9.145 740 HZ3 LYS 87 HZ3 LYS 87 -2.731 -14.619 8.071 741 H GLY 88 H GLY 88 -4.429 -10.438 5.092 742 HA2 GLY 88 HA2 GLY 88 -6.501 -11.408 3.497 743 HA3 GLY 88 HA3 GLY 88 -4.789 -11.613 3.154 744 H SER 89 H SER 89 -6.131 -13.614 2.261 745 HA SER 89 HA SER 89 -5.677 -15.759 4.212 746 HB2 SER 89 HB2 SER 89 -7.904 -16.329 2.410 747 HB3 SER 89 HB3 SER 89 -7.796 -16.521 4.159 748 HG SER 89 HG SER 89 -8.964 -14.552 2.719 749 H GLY 90 H GLY 90 -6.295 -17.931 2.702 750 HA2 GLY 90 HA2 GLY 90 -4.613 -17.641 0.292 751 HA3 GLY 90 HA3 GLY 90 -4.366 -18.959 1.427 752 H LEU 91 H LEU 91 -7.129 -17.497 -0.296 753 HA LEU 91 HA LEU 91 -8.344 -20.105 -0.610 754 HB2 LEU 91 HB2 LEU 91 -9.219 -17.409 -1.637 755 HB3 LEU 91 HB3 LEU 91 -10.180 -18.887 -1.666 756 HG LEU 91 HG LEU 91 -9.243 -17.528 0.858 757 HD11 LEU 91 HD11 LEU 91 -12.014 -17.459 -0.308 758 HD12 LEU 91 HD12 LEU 91 -11.386 -16.556 1.071 759 HD13 LEU 91 HD13 LEU 91 -10.832 -16.174 -0.560 760 HD21 LEU 91 HD21 LEU 91 -10.828 -19.957 0.228 761 HD22 LEU 91 HD22 LEU 91 -9.704 -19.646 1.551 762 HD23 LEU 91 HD23 LEU 91 -11.335 -18.977 1.604 763 H GLU 92 H GLU 92 -7.508 -21.396 -2.123 764 HA GLU 92 HA GLU 92 -6.060 -20.590 -4.371 765 HB2 GLU 92 HB2 GLU 92 -6.661 -22.995 -3.178 766 HB3 GLU 92 HB3 GLU 92 -7.519 -23.109 -4.709 767 HG2 GLU 92 HG2 GLU 92 -5.348 -22.441 -5.821 768 HG3 GLU 92 HG3 GLU 92 -4.579 -22.712 -4.258 769 H HIS 93 H HIS 93 -9.460 -21.614 -4.121 770 HA HIS 93 HA HIS 93 -11.261 -21.263 -5.464 771 HB2 HIS 93 HB2 HIS 93 -9.903 -18.824 -5.313 772 HB3 HIS 93 HB3 HIS 93 -10.256 -19.036 -7.025 773 HD1 HIS 93 HD1 HIS 93 -12.152 -19.248 -3.730 774 HD2 HIS 93 HD2 HIS 93 -12.722 -18.165 -7.700 775 HE1 HIS 93 HE1 HIS 93 -14.504 -18.365 -3.855 776 H HIS 94 H HIS 94 -11.810 -20.727 -7.947 777 HA HIS 94 HA HIS 94 -10.350 -22.744 -9.441 778 HB2 HIS 94 HB2 HIS 94 -13.016 -21.568 -9.528 779 HB3 HIS 94 HB3 HIS 94 -12.293 -21.703 -11.129 780 HD1 HIS 94 HD1 HIS 94 -12.639 -23.884 -12.233 781 HD2 HIS 94 HD2 HIS 94 -12.877 -24.195 -8.098 782 HE1 HIS 94 HE1 HIS 94 -13.257 -26.278 -11.773 783 H HIS 95 H HIS 95 -9.770 -22.330 -11.729 784 HA HIS 95 HA HIS 95 -9.354 -19.636 -12.604 785 HB2 HIS 95 HB2 HIS 95 -7.384 -20.671 -10.917 786 HB3 HIS 95 HB3 HIS 95 -6.723 -20.860 -12.538 787 HD1 HIS 95 HD1 HIS 95 -6.949 -18.502 -14.018 788 HD2 HIS 95 HD2 HIS 95 -6.886 -18.235 -9.872 789 HE1 HIS 95 HE1 HIS 95 -6.314 -16.123 -13.506 790 H HIS 96 H HIS 96 -8.404 -23.030 -12.951 791 HA HIS 96 HA HIS 96 -8.300 -22.669 -15.864 792 HB2 HIS 96 HB2 HIS 96 -6.757 -24.234 -13.997 793 HB3 HIS 96 HB3 HIS 96 -7.478 -25.280 -15.216 794 HD1 HIS 96 HD1 HIS 96 -4.384 -24.132 -14.769 795 HD2 HIS 96 HD2 HIS 96 -7.082 -23.348 -17.830 796 HE1 HIS 96 HE1 HIS 96 -2.986 -23.400 -16.727 797 H HIS 97 H HIS 97 -10.358 -22.859 -16.579 798 HA HIS 97 HA HIS 97 -12.169 -24.826 -15.511 799 HB2 HIS 97 HB2 HIS 97 -12.382 -22.914 -17.840 800 HB3 HIS 97 HB3 HIS 97 -13.676 -24.005 -17.358 801 HD1 HIS 97 HD1 HIS 97 -13.334 -23.577 -14.253 802 HD2 HIS 97 HD2 HIS 97 -13.620 -20.569 -17.104 803 HE1 HIS 97 HE1 HIS 97 -14.158 -21.551 -13.012 804 H HIS 98 H HIS 98 -12.314 -26.874 -16.126 805 HA HIS 98 HA HIS 98 -10.690 -27.982 -18.151 806 HB2 HIS 98 HB2 HIS 98 -11.835 -29.066 -16.037 807 HB3 HIS 98 HB3 HIS 98 -13.131 -29.411 -17.179 808 HD1 HIS 98 HD1 HIS 98 -12.667 -31.955 -16.993 809 HD2 HIS 98 HD2 HIS 98 -9.471 -29.734 -18.450 810 HE1 HIS 98 HE1 HIS 98 -11.057 -33.637 -17.945 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -5.884 -5.792 12.355 2 HA2 GLY 1 HA2 GLY 1 -3.169 -6.368 12.847 3 HA3 GLY 1 HA3 GLY 1 -4.029 -6.695 11.349 4 H ARG 2 H ARG 2 -1.478 -6.058 11.056 5 HA ARG 2 HA ARG 2 -1.259 -3.184 10.598 6 HB2 ARG 2 HB2 ARG 2 0.856 -5.271 10.080 7 HB3 ARG 2 HB3 ARG 2 1.077 -3.540 10.292 8 HG2 ARG 2 HG2 ARG 2 1.742 -4.266 12.339 9 HG3 ARG 2 HG3 ARG 2 0.020 -4.045 12.654 10 HD2 ARG 2 HD2 ARG 2 -0.191 -6.195 13.163 11 HD3 ARG 2 HD3 ARG 2 0.435 -6.653 11.579 12 HE ARG 2 HE ARG 2 2.671 -6.061 12.980 13 HH11 ARG 2 HH11 ARG 2 -0.060 -8.131 13.594 14 HH12 ARG 2 HH12 ARG 2 0.847 -9.264 14.541 15 HH21 ARG 2 HH21 ARG 2 3.875 -7.544 14.225 16 HH22 ARG 2 HH22 ARG 2 3.084 -8.929 14.901 17 H VAL 3 H VAL 3 -1.808 -2.349 8.705 18 HA VAL 3 HA VAL 3 -1.131 -3.737 6.241 19 HB VAL 3 HB VAL 3 -3.316 -3.659 5.278 20 HG11 VAL 3 HG11 VAL 3 -4.480 -5.290 6.584 21 HG12 VAL 3 HG12 VAL 3 -2.750 -5.583 6.765 22 HG13 VAL 3 HG13 VAL 3 -3.649 -4.783 8.054 23 HG21 VAL 3 HG21 VAL 3 -4.084 -2.194 7.788 24 HG22 VAL 3 HG22 VAL 3 -4.243 -1.662 6.113 25 HG23 VAL 3 HG23 VAL 3 -5.278 -2.949 6.733 26 H VAL 4 H VAL 4 -0.937 -2.380 4.458 27 HA VAL 4 HA VAL 4 -1.430 0.482 4.903 28 HB VAL 4 HB VAL 4 1.141 -0.689 3.832 29 HG11 VAL 4 HG11 VAL 4 0.725 1.253 2.560 30 HG12 VAL 4 HG12 VAL 4 0.132 2.141 3.965 31 HG13 VAL 4 HG13 VAL 4 1.847 1.749 3.828 32 HG21 VAL 4 HG21 VAL 4 0.711 -0.664 6.349 33 HG22 VAL 4 HG22 VAL 4 2.195 0.097 5.777 34 HG23 VAL 4 HG23 VAL 4 0.812 1.093 6.229 35 H VAL 5 H VAL 5 -2.196 1.566 3.168 36 HA VAL 5 HA VAL 5 -2.583 0.016 0.702 37 HB VAL 5 HB VAL 5 -4.037 2.529 1.524 38 HG11 VAL 5 HG11 VAL 5 -4.437 2.387 -0.716 39 HG12 VAL 5 HG12 VAL 5 -4.211 0.639 -0.760 40 HG13 VAL 5 HG13 VAL 5 -5.713 1.318 -0.134 41 HG21 VAL 5 HG21 VAL 5 -4.953 1.216 3.106 42 HG22 VAL 5 HG22 VAL 5 -5.873 0.548 1.758 43 HG23 VAL 5 HG23 VAL 5 -4.418 -0.273 2.326 44 H VAL 6 H VAL 6 -1.540 0.570 -1.095 45 HA VAL 6 HA VAL 6 -0.282 3.234 -1.211 46 HB VAL 6 HB VAL 6 0.675 0.661 -2.473 47 HG11 VAL 6 HG11 VAL 6 1.257 2.413 -3.950 48 HG12 VAL 6 HG12 VAL 6 1.713 3.480 -2.621 49 HG13 VAL 6 HG13 VAL 6 2.706 2.073 -3.002 50 HG21 VAL 6 HG21 VAL 6 1.304 2.058 0.043 51 HG22 VAL 6 HG22 VAL 6 1.449 0.350 -0.375 52 HG23 VAL 6 HG23 VAL 6 2.692 1.492 -0.886 53 H VAL 7 H VAL 7 -0.616 4.485 -2.971 54 HA VAL 7 HA VAL 7 -2.158 3.324 -5.199 55 HB VAL 7 HB VAL 7 -3.285 5.536 -5.439 56 HG11 VAL 7 HG11 VAL 7 -3.672 3.989 -2.885 57 HG12 VAL 7 HG12 VAL 7 -4.789 5.231 -3.450 58 HG13 VAL 7 HG13 VAL 7 -4.521 3.780 -4.417 59 HG21 VAL 7 HG21 VAL 7 -2.963 6.460 -2.760 60 HG22 VAL 7 HG22 VAL 7 -1.373 6.307 -3.507 61 HG23 VAL 7 HG23 VAL 7 -2.614 7.301 -4.271 62 H THR 8 H THR 8 -1.867 4.335 -7.259 63 HA THR 8 HA THR 8 0.842 5.334 -7.613 64 HB THR 8 HB THR 8 0.184 3.576 -9.120 65 HG1 THR 8 HG1 THR 8 1.379 4.719 -10.445 66 HG21 THR 8 HG21 THR 8 -1.892 3.364 -9.899 67 HG22 THR 8 HG22 THR 8 -2.326 4.862 -9.075 68 HG23 THR 8 HG23 THR 8 -1.762 4.906 -10.746 69 H SER 9 H SER 9 -2.411 6.490 -7.642 70 HA SER 9 HA SER 9 -1.454 9.108 -8.598 71 HB2 SER 9 HB2 SER 9 -4.331 8.731 -8.844 72 HB3 SER 9 HB3 SER 9 -3.161 9.258 -10.054 73 HG SER 9 HG SER 9 -4.329 7.155 -10.361 74 H GLU 10 H GLU 10 -2.159 10.938 -7.515 75 HA GLU 10 HA GLU 10 -2.606 10.703 -4.760 76 HB2 GLU 10 HB2 GLU 10 -2.867 13.089 -4.737 77 HB3 GLU 10 HB3 GLU 10 -1.618 12.687 -5.907 78 HG2 GLU 10 HG2 GLU 10 -3.505 12.797 -7.647 79 HG3 GLU 10 HG3 GLU 10 -4.409 13.644 -6.393 80 H GLN 11 H GLN 11 -4.824 11.028 -7.451 81 HA GLN 11 HA GLN 11 -7.145 11.770 -6.123 82 HB2 GLN 11 HB2 GLN 11 -6.681 11.403 -8.655 83 HB3 GLN 11 HB3 GLN 11 -7.201 9.752 -8.343 84 HG2 GLN 11 HG2 GLN 11 -9.304 10.772 -7.343 85 HG3 GLN 11 HG3 GLN 11 -8.786 12.283 -8.088 86 HE21 GLN 11 HE21 GLN 11 -11.133 11.419 -8.876 87 HE22 GLN 11 HE22 GLN 11 -11.075 10.715 -10.452 88 H VAL 12 H VAL 12 -5.951 8.483 -6.795 89 HA VAL 12 HA VAL 12 -8.022 7.106 -5.499 90 HB VAL 12 HB VAL 12 -5.170 6.146 -5.693 91 HG11 VAL 12 HG11 VAL 12 -6.244 3.933 -5.857 92 HG12 VAL 12 HG12 VAL 12 -6.606 4.748 -4.336 93 HG13 VAL 12 HG13 VAL 12 -7.815 4.699 -5.620 94 HG21 VAL 12 HG21 VAL 12 -5.363 6.422 -7.904 95 HG22 VAL 12 HG22 VAL 12 -6.504 5.078 -7.846 96 HG23 VAL 12 HG23 VAL 12 -7.096 6.739 -7.800 97 H LYS 13 H LYS 13 -5.032 8.499 -4.292 98 HA LYS 13 HA LYS 13 -4.966 7.292 -1.769 99 HB2 LYS 13 HB2 LYS 13 -3.184 8.740 -2.907 100 HB3 LYS 13 HB3 LYS 13 -4.086 10.124 -2.300 101 HG2 LYS 13 HG2 LYS 13 -3.827 8.652 -0.042 102 HG3 LYS 13 HG3 LYS 13 -2.333 8.243 -0.889 103 HD2 LYS 13 HD2 LYS 13 -1.943 10.701 -1.195 104 HD3 LYS 13 HD3 LYS 13 -3.326 10.990 -0.137 105 HE2 LYS 13 HE2 LYS 13 -1.508 9.099 1.053 106 HE3 LYS 13 HE3 LYS 13 -0.661 10.581 0.614 107 HZ1 LYS 13 HZ1 LYS 13 -1.748 11.761 2.163 108 HZ2 LYS 13 HZ2 LYS 13 -3.217 10.957 1.925 109 HZ3 LYS 13 HZ3 LYS 13 -2.016 10.255 2.889 110 H GLU 14 H GLU 14 -6.360 10.423 -2.741 111 HA GLU 14 HA GLU 14 -7.372 11.173 -0.259 112 HB2 GLU 14 HB2 GLU 14 -8.468 11.761 -3.014 113 HB3 GLU 14 HB3 GLU 14 -8.959 12.589 -1.543 114 HG2 GLU 14 HG2 GLU 14 -6.586 13.298 -1.243 115 HG3 GLU 14 HG3 GLU 14 -6.245 12.621 -2.834 116 H GLU 15 H GLU 15 -8.803 9.160 -2.786 117 HA GLU 15 HA GLU 15 -11.346 8.891 -1.573 118 HB2 GLU 15 HB2 GLU 15 -11.456 8.278 -3.775 119 HB3 GLU 15 HB3 GLU 15 -9.865 7.532 -3.760 120 HG2 GLU 15 HG2 GLU 15 -10.657 5.526 -2.974 121 HG3 GLU 15 HG3 GLU 15 -12.084 6.255 -2.238 122 H VAL 16 H VAL 16 -8.371 7.002 -1.383 123 HA VAL 16 HA VAL 16 -9.462 4.879 0.157 124 HB VAL 16 HB VAL 16 -6.595 5.796 -0.097 125 HG11 VAL 16 HG11 VAL 16 -6.779 4.480 1.882 126 HG12 VAL 16 HG12 VAL 16 -7.788 3.286 1.065 127 HG13 VAL 16 HG13 VAL 16 -6.087 3.451 0.628 128 HG21 VAL 16 HG21 VAL 16 -7.355 3.318 -1.410 129 HG22 VAL 16 HG22 VAL 16 -8.247 4.710 -2.024 130 HG23 VAL 16 HG23 VAL 16 -6.484 4.714 -2.046 131 H ARG 17 H ARG 17 -7.479 7.702 1.045 132 HA ARG 17 HA ARG 17 -7.376 7.235 3.790 133 HB2 ARG 17 HB2 ARG 17 -5.956 8.890 2.735 134 HB3 ARG 17 HB3 ARG 17 -7.357 9.850 2.274 135 HG2 ARG 17 HG2 ARG 17 -7.377 9.415 5.104 136 HG3 ARG 17 HG3 ARG 17 -5.812 10.060 4.603 137 HD2 ARG 17 HD2 ARG 17 -6.761 11.994 3.708 138 HD3 ARG 17 HD3 ARG 17 -8.369 11.275 3.622 139 HE ARG 17 HE ARG 17 -7.440 11.468 6.307 140 HH11 ARG 17 HH11 ARG 17 -8.828 13.302 3.694 141 HH12 ARG 17 HH12 ARG 17 -9.571 14.470 4.737 142 HH21 ARG 17 HH21 ARG 17 -8.414 12.998 7.689 143 HH22 ARG 17 HH22 ARG 17 -9.335 14.296 7.009 144 H LYS 18 H LYS 18 -9.881 8.663 1.809 145 HA LYS 18 HA LYS 18 -11.402 9.749 3.962 146 HB2 LYS 18 HB2 LYS 18 -11.522 10.421 1.510 147 HB3 LYS 18 HB3 LYS 18 -12.464 8.959 1.252 148 HG2 LYS 18 HG2 LYS 18 -14.227 9.738 2.616 149 HG3 LYS 18 HG3 LYS 18 -13.246 11.062 3.249 150 HD2 LYS 18 HD2 LYS 18 -13.744 10.893 0.311 151 HD3 LYS 18 HD3 LYS 18 -15.024 11.494 1.368 152 HE2 LYS 18 HE2 LYS 18 -12.412 12.660 1.936 153 HE3 LYS 18 HE3 LYS 18 -12.977 12.987 0.299 154 HZ1 LYS 18 HZ1 LYS 18 -15.166 13.600 1.507 155 HZ2 LYS 18 HZ2 LYS 18 -14.173 13.779 2.866 156 HZ3 LYS 18 HZ3 LYS 18 -13.891 14.712 1.483 157 H LYS 19 H LYS 19 -11.472 6.712 2.163 158 HA LYS 19 HA LYS 19 -13.840 5.701 3.345 159 HB2 LYS 19 HB2 LYS 19 -11.816 4.777 1.500 160 HB3 LYS 19 HB3 LYS 19 -12.234 3.508 2.644 161 HG2 LYS 19 HG2 LYS 19 -14.187 5.026 0.925 162 HG3 LYS 19 HG3 LYS 19 -13.587 3.395 0.612 163 HD2 LYS 19 HD2 LYS 19 -14.514 3.319 3.237 164 HD3 LYS 19 HD3 LYS 19 -15.713 4.279 2.366 165 HE2 LYS 19 HE2 LYS 19 -15.461 2.335 0.596 166 HE3 LYS 19 HE3 LYS 19 -14.926 1.430 2.011 167 HZ1 LYS 19 HZ1 LYS 19 -17.556 2.165 1.253 168 HZ2 LYS 19 HZ2 LYS 19 -17.054 1.123 2.488 169 HZ3 LYS 19 HZ3 LYS 19 -17.201 2.781 2.790 170 H PHE 20 H PHE 20 -10.409 5.359 4.137 171 HA PHE 20 HA PHE 20 -11.171 4.528 6.834 172 HB2 PHE 20 HB2 PHE 20 -9.021 3.068 5.297 173 HB3 PHE 20 HB3 PHE 20 -9.680 2.658 6.877 174 HD1 PHE 20 HD1 PHE 20 -9.826 1.996 3.424 175 HD2 PHE 20 HD2 PHE 20 -12.231 2.129 6.933 176 HE1 PHE 20 HE1 PHE 20 -11.470 0.515 2.349 177 HE2 PHE 20 HE2 PHE 20 -13.878 0.646 5.864 178 HZ PHE 20 HZ PHE 20 -13.500 -0.161 3.568 179 HA PRO 21 HA PRO 21 -7.897 7.793 6.798 180 HB2 PRO 21 HB2 PRO 21 -9.013 9.242 8.804 181 HB3 PRO 21 HB3 PRO 21 -9.474 9.434 7.109 182 HG2 PRO 21 HG2 PRO 21 -10.840 7.892 9.283 183 HG3 PRO 21 HG3 PRO 21 -11.548 8.944 8.042 184 HD2 PRO 21 HD2 PRO 21 -11.547 6.244 7.836 185 HD3 PRO 21 HD3 PRO 21 -11.447 7.310 6.420 186 H GLN 22 H GLN 22 -9.346 5.806 9.278 187 HA GLN 22 HA GLN 22 -7.459 6.363 11.328 188 HB2 GLN 22 HB2 GLN 22 -9.734 4.599 10.936 189 HB3 GLN 22 HB3 GLN 22 -8.431 3.796 11.803 190 HG2 GLN 22 HG2 GLN 22 -9.650 6.435 12.581 191 HG3 GLN 22 HG3 GLN 22 -10.066 4.876 13.289 192 HE21 GLN 22 HE21 GLN 22 -7.984 7.534 13.387 193 HE22 GLN 22 HE22 GLN 22 -6.874 6.933 14.567 194 H VAL 23 H VAL 23 -7.487 4.246 8.581 195 HA VAL 23 HA VAL 23 -5.274 2.636 9.527 196 HB VAL 23 HB VAL 23 -7.230 1.967 7.885 197 HG11 VAL 23 HG11 VAL 23 -6.213 3.830 6.298 198 HG12 VAL 23 HG12 VAL 23 -5.191 2.484 5.789 199 HG13 VAL 23 HG13 VAL 23 -6.946 2.360 5.656 200 HG21 VAL 23 HG21 VAL 23 -5.029 0.742 8.733 201 HG22 VAL 23 HG22 VAL 23 -6.075 0.042 7.496 202 HG23 VAL 23 HG23 VAL 23 -4.601 0.891 7.028 203 H GLU 24 H GLU 24 -3.383 2.337 7.961 204 HA GLU 24 HA GLU 24 -2.173 4.931 7.572 205 HB2 GLU 24 HB2 GLU 24 -1.236 2.108 7.575 206 HB3 GLU 24 HB3 GLU 24 -0.288 3.271 6.659 207 HG2 GLU 24 HG2 GLU 24 0.620 4.107 8.498 208 HG3 GLU 24 HG3 GLU 24 -0.951 4.288 9.276 209 H VAL 25 H VAL 25 -1.986 6.004 5.713 210 HA VAL 25 HA VAL 25 -2.381 4.551 3.187 211 HB VAL 25 HB VAL 25 -4.497 5.628 3.662 212 HG11 VAL 25 HG11 VAL 25 -2.932 7.602 4.854 213 HG12 VAL 25 HG12 VAL 25 -3.684 8.389 3.466 214 HG13 VAL 25 HG13 VAL 25 -4.687 7.597 4.680 215 HG21 VAL 25 HG21 VAL 25 -4.789 6.324 1.546 216 HG22 VAL 25 HG22 VAL 25 -3.516 7.539 1.664 217 HG23 VAL 25 HG23 VAL 25 -3.101 5.856 1.342 218 H ARG 26 H ARG 26 -0.775 4.902 1.810 219 HA ARG 26 HA ARG 26 0.567 7.502 1.782 220 HB2 ARG 26 HB2 ARG 26 2.076 6.338 3.151 221 HB3 ARG 26 HB3 ARG 26 1.878 4.840 2.251 222 HG2 ARG 26 HG2 ARG 26 4.054 5.834 1.835 223 HG3 ARG 26 HG3 ARG 26 3.080 5.806 0.363 224 HD2 ARG 26 HD2 ARG 26 4.147 7.932 0.472 225 HD3 ARG 26 HD3 ARG 26 2.442 8.178 0.846 226 HE ARG 26 HE ARG 26 3.596 7.867 3.283 227 HH11 ARG 26 HH11 ARG 26 4.216 9.942 0.557 228 HH12 ARG 26 HH12 ARG 26 4.833 11.242 1.521 229 HH21 ARG 26 HH21 ARG 26 4.408 9.572 4.563 230 HH22 ARG 26 HH22 ARG 26 4.943 11.029 3.800 231 H VAL 27 H VAL 27 0.731 8.241 -0.225 232 HA VAL 27 HA VAL 27 0.297 6.392 -2.451 233 HB VAL 27 HB VAL 27 -1.147 8.303 -2.492 234 HG11 VAL 27 HG11 VAL 27 -0.228 10.607 -2.650 235 HG12 VAL 27 HG12 VAL 27 0.078 9.829 -1.098 236 HG13 VAL 27 HG13 VAL 27 1.370 9.952 -2.293 237 HG21 VAL 27 HG21 VAL 27 -0.300 7.532 -4.653 238 HG22 VAL 27 HG22 VAL 27 -0.597 9.270 -4.666 239 HG23 VAL 27 HG23 VAL 27 1.051 8.659 -4.529 240 H VAL 28 H VAL 28 1.848 5.836 -3.847 241 HA VAL 28 HA VAL 28 4.396 7.319 -3.751 242 HB VAL 28 HB VAL 28 5.609 5.289 -4.136 243 HG11 VAL 28 HG11 VAL 28 5.565 4.695 -1.986 244 HG12 VAL 28 HG12 VAL 28 4.228 5.833 -1.812 245 HG13 VAL 28 HG13 VAL 28 3.900 4.123 -2.094 246 HG21 VAL 28 HG21 VAL 28 2.906 4.177 -4.688 247 HG22 VAL 28 HG22 VAL 28 4.430 3.920 -5.537 248 HG23 VAL 28 HG23 VAL 28 4.127 3.104 -4.003 249 H THR 29 H THR 29 5.408 7.786 -5.664 250 HA THR 29 HA THR 29 4.036 6.964 -8.137 251 HB THR 29 HB THR 29 4.487 9.183 -9.101 252 HG1 THR 29 HG1 THR 29 5.772 10.510 -8.081 253 HG21 THR 29 HG21 THR 29 2.497 9.909 -8.377 254 HG22 THR 29 HG22 THR 29 2.497 8.514 -7.299 255 HG23 THR 29 HG23 THR 29 3.074 10.077 -6.720 256 H THR 30 H THR 30 7.025 7.911 -6.560 257 HA THR 30 HA THR 30 8.533 6.966 -8.908 258 HB THR 30 HB THR 30 10.244 8.267 -7.023 259 HG1 THR 30 HG1 THR 30 9.242 10.369 -7.147 260 HG21 THR 30 HG21 THR 30 10.722 9.722 -8.920 261 HG22 THR 30 HG22 THR 30 10.632 8.040 -9.442 262 HG23 THR 30 HG23 THR 30 9.284 9.134 -9.754 263 H GLU 31 H GLU 31 10.610 5.873 -8.408 264 HA GLU 31 HA GLU 31 10.181 3.680 -6.670 265 HB2 GLU 31 HB2 GLU 31 12.807 4.551 -7.882 266 HB3 GLU 31 HB3 GLU 31 12.382 2.941 -7.320 267 HG2 GLU 31 HG2 GLU 31 10.443 3.668 -9.223 268 HG3 GLU 31 HG3 GLU 31 12.011 4.111 -9.895 269 H GLU 32 H GLU 32 12.148 6.605 -6.423 270 HA GLU 32 HA GLU 32 13.490 5.937 -4.041 271 HB2 GLU 32 HB2 GLU 32 14.031 8.290 -3.872 272 HB3 GLU 32 HB3 GLU 32 14.170 7.777 -5.548 273 HG2 GLU 32 HG2 GLU 32 11.829 8.682 -5.874 274 HG3 GLU 32 HG3 GLU 32 12.007 9.430 -4.288 275 H ASP 33 H ASP 33 10.365 7.421 -4.658 276 HA ASP 33 HA ASP 33 9.817 8.293 -2.039 277 HB2 ASP 33 HB2 ASP 33 8.396 8.068 -4.541 278 HB3 ASP 33 HB3 ASP 33 7.366 7.559 -3.206 279 H ALA 34 H ALA 34 8.812 5.317 -3.723 280 HA ALA 34 HA ALA 34 7.447 4.108 -1.636 281 HB1 ALA 34 HB1 ALA 34 7.694 3.376 -4.089 282 HB2 ALA 34 HB2 ALA 34 9.127 2.511 -3.536 283 HB3 ALA 34 HB3 ALA 34 7.547 2.126 -2.853 284 H LYS 35 H LYS 35 10.906 4.012 -2.397 285 HA LYS 35 HA LYS 35 11.744 2.132 -0.543 286 HB2 LYS 35 HB2 LYS 35 13.028 3.585 -2.364 287 HB3 LYS 35 HB3 LYS 35 13.430 4.556 -0.954 288 HG2 LYS 35 HG2 LYS 35 14.867 3.035 -0.158 289 HG3 LYS 35 HG3 LYS 35 13.831 1.675 -0.599 290 HD2 LYS 35 HD2 LYS 35 14.697 1.540 -2.738 291 HD3 LYS 35 HD3 LYS 35 15.234 3.222 -2.737 292 HE2 LYS 35 HE2 LYS 35 16.673 2.107 -0.676 293 HE3 LYS 35 HE3 LYS 35 16.618 0.807 -1.864 294 HZ1 LYS 35 HZ1 LYS 35 18.357 1.874 -2.749 295 HZ2 LYS 35 HZ2 LYS 35 17.207 2.936 -3.391 296 HZ3 LYS 35 HZ3 LYS 35 18.017 3.330 -1.958 297 H GLN 36 H GLN 36 11.644 5.671 -0.101 298 HA GLN 36 HA GLN 36 12.391 5.722 2.576 299 HB2 GLN 36 HB2 GLN 36 10.882 7.566 0.787 300 HB3 GLN 36 HB3 GLN 36 10.838 7.880 2.516 301 HG2 GLN 36 HG2 GLN 36 13.356 7.802 2.472 302 HG3 GLN 36 HG3 GLN 36 13.236 7.807 0.714 303 HE21 GLN 36 HE21 GLN 36 14.355 9.786 0.660 304 HE22 GLN 36 HE22 GLN 36 13.569 11.273 1.055 305 H VAL 37 H VAL 37 9.277 5.093 1.102 306 HA VAL 37 HA VAL 37 7.728 5.320 3.475 307 HB VAL 37 HB VAL 37 7.163 3.834 0.906 308 HG11 VAL 37 HG11 VAL 37 5.341 4.475 3.222 309 HG12 VAL 37 HG12 VAL 37 4.805 3.863 1.657 310 HG13 VAL 37 HG13 VAL 37 5.843 2.873 2.683 311 HG21 VAL 37 HG21 VAL 37 5.960 6.429 1.828 312 HG22 VAL 37 HG22 VAL 37 7.450 6.370 0.886 313 HG23 VAL 37 HG23 VAL 37 5.953 5.725 0.211 314 H VAL 38 H VAL 38 9.091 2.534 1.733 315 HA VAL 38 HA VAL 38 8.130 0.467 3.267 316 HB VAL 38 HB VAL 38 10.904 0.682 2.089 317 HG11 VAL 38 HG11 VAL 38 11.207 -1.214 3.266 318 HG12 VAL 38 HG12 VAL 38 9.476 -1.476 3.486 319 HG13 VAL 38 HG13 VAL 38 10.255 -1.942 1.973 320 HG21 VAL 38 HG21 VAL 38 8.493 0.769 0.771 321 HG22 VAL 38 HG22 VAL 38 10.035 0.280 0.069 322 HG23 VAL 38 HG23 VAL 38 8.924 -0.938 0.693 323 H LYS 39 H LYS 39 10.982 2.480 3.888 324 HA LYS 39 HA LYS 39 11.758 1.102 6.254 325 HB2 LYS 39 HB2 LYS 39 12.456 3.807 5.123 326 HB3 LYS 39 HB3 LYS 39 13.110 3.234 6.651 327 HG2 LYS 39 HG2 LYS 39 13.455 1.230 4.630 328 HG3 LYS 39 HG3 LYS 39 14.107 2.775 4.077 329 HD2 LYS 39 HD2 LYS 39 14.752 2.038 6.857 330 HD3 LYS 39 HD3 LYS 39 15.473 1.018 5.609 331 HE2 LYS 39 HE2 LYS 39 15.642 3.884 5.049 332 HE3 LYS 39 HE3 LYS 39 16.497 3.391 6.509 333 HZ1 LYS 39 HZ1 LYS 39 17.988 2.180 5.339 334 HZ2 LYS 39 HZ2 LYS 39 16.889 1.759 4.123 335 HZ3 LYS 39 HZ3 LYS 39 17.602 3.294 4.126 336 H GLU 40 H GLU 40 9.818 3.985 5.615 337 HA GLU 40 HA GLU 40 9.510 4.846 8.264 338 HB2 GLU 40 HB2 GLU 40 8.741 5.820 5.863 339 HB3 GLU 40 HB3 GLU 40 7.202 5.204 6.447 340 HG2 GLU 40 HG2 GLU 40 7.965 6.520 8.632 341 HG3 GLU 40 HG3 GLU 40 8.839 7.461 7.424 342 H VAL 41 H VAL 41 7.453 2.727 6.284 343 HA VAL 41 HA VAL 41 5.546 2.228 8.320 344 HB VAL 41 HB VAL 41 4.777 0.373 6.910 345 HG11 VAL 41 HG11 VAL 41 4.390 2.901 6.418 346 HG12 VAL 41 HG12 VAL 41 5.408 2.591 5.012 347 HG13 VAL 41 HG13 VAL 41 3.906 1.692 5.229 348 HG21 VAL 41 HG21 VAL 41 6.911 -0.493 6.164 349 HG22 VAL 41 HG22 VAL 41 5.915 -0.083 4.767 350 HG23 VAL 41 HG23 VAL 41 7.227 0.988 5.259 351 H GLN 42 H GLN 42 8.549 0.671 7.384 352 HA GLN 42 HA GLN 42 8.291 -1.737 8.760 353 HB2 GLN 42 HB2 GLN 42 10.519 -0.121 7.705 354 HB3 GLN 42 HB3 GLN 42 10.951 -1.225 9.004 355 HG2 GLN 42 HG2 GLN 42 9.338 -2.233 6.712 356 HG3 GLN 42 HG3 GLN 42 11.071 -1.981 6.512 357 HE21 GLN 42 HE21 GLN 42 12.314 -3.642 6.976 358 HE22 GLN 42 HE22 GLN 42 11.909 -4.962 8.014 359 H LYS 43 H LYS 43 9.405 1.423 9.884 360 HA LYS 43 HA LYS 43 10.077 0.506 12.509 361 HB2 LYS 43 HB2 LYS 43 9.649 3.274 11.379 362 HB3 LYS 43 HB3 LYS 43 10.169 2.968 13.030 363 HG2 LYS 43 HG2 LYS 43 12.218 2.026 12.308 364 HG3 LYS 43 HG3 LYS 43 11.673 1.965 10.630 365 HD2 LYS 43 HD2 LYS 43 11.976 4.219 10.308 366 HD3 LYS 43 HD3 LYS 43 11.742 4.603 12.016 367 HE2 LYS 43 HE2 LYS 43 13.953 3.321 12.371 368 HE3 LYS 43 HE3 LYS 43 14.179 3.532 10.636 369 HZ1 LYS 43 HZ1 LYS 43 13.903 5.946 10.986 370 HZ2 LYS 43 HZ2 LYS 43 13.852 5.681 12.656 371 HZ3 LYS 43 HZ3 LYS 43 15.254 5.313 11.783 372 H LYS 44 H LYS 44 7.246 1.932 11.002 373 HA LYS 44 HA LYS 44 5.828 2.469 13.403 374 HB2 LYS 44 HB2 LYS 44 5.350 2.657 10.557 375 HB3 LYS 44 HB3 LYS 44 3.940 2.007 11.382 376 HG2 LYS 44 HG2 LYS 44 3.546 3.936 12.530 377 HG3 LYS 44 HG3 LYS 44 5.247 4.412 12.533 378 HD2 LYS 44 HD2 LYS 44 4.904 5.708 10.761 379 HD3 LYS 44 HD3 LYS 44 4.331 4.320 9.835 380 HE2 LYS 44 HE2 LYS 44 2.086 4.666 10.577 381 HE3 LYS 44 HE3 LYS 44 2.599 5.891 11.736 382 HZ1 LYS 44 HZ1 LYS 44 1.634 6.896 9.770 383 HZ2 LYS 44 HZ2 LYS 44 3.273 7.299 9.887 384 HZ3 LYS 44 HZ3 LYS 44 2.767 6.123 8.779 385 H GLY 45 H GLY 45 5.877 -0.276 11.164 386 HA2 GLY 45 HA2 GLY 45 5.685 -2.495 12.236 387 HA3 GLY 45 HA3 GLY 45 4.375 -1.817 13.192 388 H VAL 46 H VAL 46 5.301 -2.309 9.787 389 HA VAL 46 HA VAL 46 2.460 -2.707 9.147 390 HB VAL 46 HB VAL 46 3.572 -0.998 7.806 391 HG11 VAL 46 HG11 VAL 46 5.534 -3.195 7.316 392 HG12 VAL 46 HG12 VAL 46 5.294 -1.945 6.095 393 HG13 VAL 46 HG13 VAL 46 5.822 -1.503 7.719 394 HG21 VAL 46 HG21 VAL 46 3.058 -3.459 6.141 395 HG22 VAL 46 HG22 VAL 46 1.795 -2.433 6.822 396 HG23 VAL 46 HG23 VAL 46 2.916 -1.776 5.630 397 H GLN 47 H GLN 47 1.759 -4.528 8.035 398 HA GLN 47 HA GLN 47 3.708 -6.720 7.778 399 HB2 GLN 47 HB2 GLN 47 0.914 -6.865 8.918 400 HB3 GLN 47 HB3 GLN 47 1.879 -8.274 8.498 401 HG2 GLN 47 HG2 GLN 47 2.576 -6.195 10.560 402 HG3 GLN 47 HG3 GLN 47 1.979 -7.824 10.878 403 HE21 GLN 47 HE21 GLN 47 3.386 -9.432 9.344 404 HE22 GLN 47 HE22 GLN 47 5.079 -9.312 9.661 405 H LYS 48 H LYS 48 0.710 -5.253 6.686 406 HA LYS 48 HA LYS 48 0.845 -6.902 4.247 407 HB2 LYS 48 HB2 LYS 48 -1.253 -6.793 5.922 408 HB3 LYS 48 HB3 LYS 48 -1.645 -5.420 4.894 409 HG2 LYS 48 HG2 LYS 48 -0.895 -7.956 3.558 410 HG3 LYS 48 HG3 LYS 48 -2.467 -7.879 4.355 411 HD2 LYS 48 HD2 LYS 48 -2.235 -5.481 2.938 412 HD3 LYS 48 HD3 LYS 48 -1.623 -6.729 1.849 413 HE2 LYS 48 HE2 LYS 48 -3.890 -6.719 1.380 414 HE3 LYS 48 HE3 LYS 48 -3.749 -8.032 2.548 415 HZ1 LYS 48 HZ1 LYS 48 -4.364 -6.374 4.287 416 HZ2 LYS 48 HZ2 LYS 48 -4.713 -5.273 3.049 417 HZ3 LYS 48 HZ3 LYS 48 -5.595 -6.712 3.175 418 H VAL 49 H VAL 49 0.241 -5.852 2.238 419 HA VAL 49 HA VAL 49 0.273 -2.946 2.192 420 HB VAL 49 HB VAL 49 2.392 -4.560 0.764 421 HG11 VAL 49 HG11 VAL 49 2.531 -2.882 -0.682 422 HG12 VAL 49 HG12 VAL 49 1.235 -2.024 0.150 423 HG13 VAL 49 HG13 VAL 49 2.909 -1.788 0.649 424 HG21 VAL 49 HG21 VAL 49 3.046 -4.354 3.023 425 HG22 VAL 49 HG22 VAL 49 3.920 -3.091 2.157 426 HG23 VAL 49 HG23 VAL 49 2.494 -2.681 3.111 427 H VAL 50 H VAL 50 -1.414 -2.483 0.951 428 HA VAL 50 HA VAL 50 -1.961 -4.177 -1.394 429 HB VAL 50 HB VAL 50 -3.908 -2.254 -0.137 430 HG11 VAL 50 HG11 VAL 50 -4.015 -3.507 -2.527 431 HG12 VAL 50 HG12 VAL 50 -4.801 -4.705 -1.498 432 HG13 VAL 50 HG13 VAL 50 -5.436 -3.063 -1.582 433 HG21 VAL 50 HG21 VAL 50 -3.999 -3.591 1.646 434 HG22 VAL 50 HG22 VAL 50 -4.703 -4.808 0.582 435 HG23 VAL 50 HG23 VAL 50 -2.965 -4.800 0.883 436 H VAL 51 H VAL 51 -0.999 -3.292 -3.121 437 HA VAL 51 HA VAL 51 -0.969 -0.391 -3.448 438 HB VAL 51 HB VAL 51 0.559 -0.760 -5.296 439 HG11 VAL 51 HG11 VAL 51 2.278 -0.968 -3.893 440 HG12 VAL 51 HG12 VAL 51 1.086 -1.287 -2.633 441 HG13 VAL 51 HG13 VAL 51 1.844 -2.629 -3.489 442 HG21 VAL 51 HG21 VAL 51 0.378 -2.630 -6.489 443 HG22 VAL 51 HG22 VAL 51 1.195 -3.476 -5.174 444 HG23 VAL 51 HG23 VAL 51 -0.567 -3.413 -5.223 445 H VAL 52 H VAL 52 -2.000 0.692 -5.073 446 HA VAL 52 HA VAL 52 -3.826 -0.898 -6.756 447 HB VAL 52 HB VAL 52 -4.475 1.944 -6.195 448 HG11 VAL 52 HG11 VAL 52 -5.717 -0.053 -7.532 449 HG12 VAL 52 HG12 VAL 52 -6.483 -0.191 -5.948 450 HG13 VAL 52 HG13 VAL 52 -6.547 1.336 -6.830 451 HG21 VAL 52 HG21 VAL 52 -4.460 -0.210 -4.133 452 HG22 VAL 52 HG22 VAL 52 -4.088 1.507 -3.972 453 HG23 VAL 52 HG23 VAL 52 -5.763 0.977 -4.125 454 H GLY 53 H GLY 53 -3.595 -0.692 -8.888 455 HA2 GLY 53 HA2 GLY 53 -2.944 0.114 -10.937 456 HA3 GLY 53 HA3 GLY 53 -2.986 1.718 -10.221 457 H VAL 54 H VAL 54 -0.953 -0.849 -8.993 458 HA VAL 54 HA VAL 54 1.400 0.655 -9.940 459 HB VAL 54 HB VAL 54 1.211 -1.116 -7.499 460 HG11 VAL 54 HG11 VAL 54 3.407 0.087 -6.982 461 HG12 VAL 54 HG12 VAL 54 3.440 -1.171 -8.217 462 HG13 VAL 54 HG13 VAL 54 3.423 0.528 -8.690 463 HG21 VAL 54 HG21 VAL 54 1.369 0.981 -6.219 464 HG22 VAL 54 HG22 VAL 54 1.255 1.892 -7.725 465 HG23 VAL 54 HG23 VAL 54 -0.102 0.901 -7.191 466 H SER 55 H SER 55 3.068 -0.423 -10.911 467 HA SER 55 HA SER 55 2.523 -2.785 -12.301 468 HB2 SER 55 HB2 SER 55 5.378 -2.303 -11.863 469 HB3 SER 55 HB3 SER 55 4.457 -2.328 -13.367 470 HG SER 55 HG SER 55 5.352 -0.219 -12.001 471 H GLU 56 H GLU 56 3.077 -4.912 -11.999 472 HA GLU 56 HA GLU 56 3.315 -5.817 -9.318 473 HB2 GLU 56 HB2 GLU 56 3.429 -8.065 -10.303 474 HB3 GLU 56 HB3 GLU 56 2.117 -7.120 -10.994 475 HG2 GLU 56 HG2 GLU 56 3.876 -6.548 -12.831 476 HG3 GLU 56 HG3 GLU 56 4.673 -8.006 -12.239 477 H LYS 57 H LYS 57 5.575 -5.495 -12.000 478 HA LYS 57 HA LYS 57 7.733 -6.908 -10.919 479 HB2 LYS 57 HB2 LYS 57 9.112 -5.739 -12.507 480 HB3 LYS 57 HB3 LYS 57 7.568 -6.097 -13.269 481 HG2 LYS 57 HG2 LYS 57 6.890 -3.727 -12.587 482 HG3 LYS 57 HG3 LYS 57 8.611 -3.462 -12.298 483 HD2 LYS 57 HD2 LYS 57 8.707 -2.910 -14.467 484 HD3 LYS 57 HD3 LYS 57 8.603 -4.646 -14.771 485 HE2 LYS 57 HE2 LYS 57 5.976 -3.931 -14.428 486 HE3 LYS 57 HE3 LYS 57 6.649 -2.531 -15.258 487 HZ1 LYS 57 HZ1 LYS 57 7.668 -4.703 -16.585 488 HZ2 LYS 57 HZ2 LYS 57 6.055 -5.117 -16.286 489 HZ3 LYS 57 HZ3 LYS 57 6.421 -3.691 -17.119 490 H VAL 58 H VAL 58 6.600 -3.637 -10.365 491 HA VAL 58 HA VAL 58 8.918 -2.758 -8.945 492 HB VAL 58 HB VAL 58 6.107 -1.649 -8.889 493 HG11 VAL 58 HG11 VAL 58 6.821 -0.245 -7.326 494 HG12 VAL 58 HG12 VAL 58 8.406 -1.018 -7.333 495 HG13 VAL 58 HG13 VAL 58 8.076 0.330 -8.423 496 HG21 VAL 58 HG21 VAL 58 6.816 -0.104 -10.573 497 HG22 VAL 58 HG22 VAL 58 8.475 -0.698 -10.493 498 HG23 VAL 58 HG23 VAL 58 7.199 -1.732 -11.136 499 H VAL 59 H VAL 59 5.622 -3.585 -7.849 500 HA VAL 59 HA VAL 59 6.188 -3.483 -5.102 501 HB VAL 59 HB VAL 59 4.130 -4.825 -4.802 502 HG11 VAL 59 HG11 VAL 59 2.732 -3.187 -6.418 503 HG12 VAL 59 HG12 VAL 59 3.452 -2.674 -4.891 504 HG13 VAL 59 HG13 VAL 59 4.290 -2.361 -6.410 505 HG21 VAL 59 HG21 VAL 59 4.135 -6.370 -6.559 506 HG22 VAL 59 HG22 VAL 59 2.824 -5.263 -6.965 507 HG23 VAL 59 HG23 VAL 59 4.383 -5.120 -7.778 508 H GLN 60 H GLN 60 6.404 -6.109 -7.441 509 HA GLN 60 HA GLN 60 6.767 -8.250 -5.700 510 HB2 GLN 60 HB2 GLN 60 6.419 -8.648 -8.042 511 HB3 GLN 60 HB3 GLN 60 7.879 -7.761 -8.463 512 HG2 GLN 60 HG2 GLN 60 9.262 -9.477 -7.883 513 HG3 GLN 60 HG3 GLN 60 8.140 -10.125 -6.688 514 HE21 GLN 60 HE21 GLN 60 8.930 -9.947 -10.080 515 HE22 GLN 60 HE22 GLN 60 7.978 -11.301 -10.575 516 H LYS 61 H LYS 61 9.233 -6.183 -7.222 517 HA LYS 61 HA LYS 61 11.486 -7.355 -6.098 518 HB2 LYS 61 HB2 LYS 61 11.366 -5.545 -7.890 519 HB3 LYS 61 HB3 LYS 61 11.200 -4.390 -6.574 520 HG2 LYS 61 HG2 LYS 61 13.357 -5.021 -5.694 521 HG3 LYS 61 HG3 LYS 61 13.518 -6.283 -6.917 522 HD2 LYS 61 HD2 LYS 61 12.945 -3.836 -8.244 523 HD3 LYS 61 HD3 LYS 61 14.248 -3.541 -7.089 524 HE2 LYS 61 HE2 LYS 61 15.300 -4.195 -9.096 525 HE3 LYS 61 HE3 LYS 61 15.371 -5.602 -8.036 526 HZ1 LYS 61 HZ1 LYS 61 12.997 -5.731 -9.511 527 HZ2 LYS 61 HZ2 LYS 61 14.257 -5.418 -10.596 528 HZ3 LYS 61 HZ3 LYS 61 14.330 -6.770 -9.581 529 H VAL 62 H VAL 62 9.986 -4.323 -4.959 530 HA VAL 62 HA VAL 62 11.354 -4.092 -2.573 531 HB VAL 62 HB VAL 62 8.491 -3.286 -3.105 532 HG11 VAL 62 HG11 VAL 62 9.687 -1.502 -1.322 533 HG12 VAL 62 HG12 VAL 62 8.432 -2.688 -0.964 534 HG13 VAL 62 HG13 VAL 62 10.131 -3.108 -0.743 535 HG21 VAL 62 HG21 VAL 62 9.939 -1.011 -3.243 536 HG22 VAL 62 HG22 VAL 62 11.098 -2.170 -3.892 537 HG23 VAL 62 HG23 VAL 62 9.513 -1.994 -4.643 538 H LYS 63 H LYS 63 8.330 -5.828 -3.213 539 HA LYS 63 HA LYS 63 7.636 -6.566 -0.645 540 HB2 LYS 63 HB2 LYS 63 6.139 -7.047 -2.439 541 HB3 LYS 63 HB3 LYS 63 7.336 -8.041 -3.259 542 HG2 LYS 63 HG2 LYS 63 6.710 -8.978 -0.571 543 HG3 LYS 63 HG3 LYS 63 5.317 -8.957 -1.655 544 HD2 LYS 63 HD2 LYS 63 7.906 -10.107 -2.604 545 HD3 LYS 63 HD3 LYS 63 6.869 -11.060 -1.539 546 HE2 LYS 63 HE2 LYS 63 5.648 -9.742 -3.912 547 HE3 LYS 63 HE3 LYS 63 6.637 -11.179 -4.167 548 HZ1 LYS 63 HZ1 LYS 63 4.590 -12.106 -3.849 549 HZ2 LYS 63 HZ2 LYS 63 5.154 -12.112 -2.254 550 HZ3 LYS 63 HZ3 LYS 63 4.075 -10.913 -2.765 551 H GLN 64 H GLN 64 9.880 -8.187 -2.865 552 HA GLN 64 HA GLN 64 10.464 -10.393 -1.233 553 HB2 GLN 64 HB2 GLN 64 11.424 -9.278 -3.696 554 HB3 GLN 64 HB3 GLN 64 12.794 -9.748 -2.699 555 HG2 GLN 64 HG2 GLN 64 12.132 -11.988 -2.640 556 HG3 GLN 64 HG3 GLN 64 10.499 -11.610 -3.187 557 HE21 GLN 64 HE21 GLN 64 10.533 -12.984 -4.923 558 HE22 GLN 64 HE22 GLN 64 11.522 -12.724 -6.315 559 H GLU 65 H GLU 65 12.058 -7.236 -1.528 560 HA GLU 65 HA GLU 65 14.003 -7.853 0.497 561 HB2 GLU 65 HB2 GLU 65 13.271 -5.287 -0.915 562 HB3 GLU 65 HB3 GLU 65 14.549 -5.396 0.288 563 HG2 GLU 65 HG2 GLU 65 15.330 -7.369 -1.326 564 HG3 GLU 65 HG3 GLU 65 14.474 -6.370 -2.499 565 H ALA 66 H ALA 66 10.785 -7.185 0.649 566 HA ALA 66 HA ALA 66 10.922 -5.578 3.086 567 HB1 ALA 66 HB1 ALA 66 8.517 -5.370 2.888 568 HB2 ALA 66 HB2 ALA 66 9.283 -4.971 1.350 569 HB3 ALA 66 HB3 ALA 66 8.500 -6.537 1.566 570 H ASN 67 H ASN 67 10.121 -8.805 1.982 571 HA ASN 67 HA ASN 67 9.798 -10.763 3.096 572 HB2 ASN 67 HB2 ASN 67 11.788 -9.722 4.435 573 HB3 ASN 67 HB3 ASN 67 10.577 -9.467 5.687 574 HD21 ASN 67 HD21 ASN 67 12.253 -11.859 3.770 575 HD22 ASN 67 HD22 ASN 67 11.937 -13.199 4.813 576 H VAL 68 H VAL 68 7.568 -9.252 2.679 577 HA VAL 68 HA VAL 68 5.922 -10.022 4.967 578 HB VAL 68 HB VAL 68 4.630 -7.847 4.722 579 HG11 VAL 68 HG11 VAL 68 6.326 -8.508 6.542 580 HG12 VAL 68 HG12 VAL 68 7.409 -7.371 5.737 581 HG13 VAL 68 HG13 VAL 68 5.873 -6.809 6.397 582 HG21 VAL 68 HG21 VAL 68 6.300 -7.430 2.590 583 HG22 VAL 68 HG22 VAL 68 5.331 -6.192 3.387 584 HG23 VAL 68 HG23 VAL 68 7.020 -6.418 3.842 585 H GLN 69 H GLN 69 3.512 -9.627 4.366 586 HA GLN 69 HA GLN 69 3.098 -10.920 1.800 587 HB2 GLN 69 HB2 GLN 69 0.748 -11.137 2.574 588 HB3 GLN 69 HB3 GLN 69 1.912 -11.839 3.689 589 HG2 GLN 69 HG2 GLN 69 1.467 -9.120 4.411 590 HG3 GLN 69 HG3 GLN 69 -0.088 -9.929 4.219 591 HE21 GLN 69 HE21 GLN 69 2.627 -9.483 6.193 592 HE22 GLN 69 HE22 GLN 69 2.229 -10.635 7.417 593 H VAL 70 H VAL 70 2.763 -9.777 0.022 594 HA VAL 70 HA VAL 70 1.513 -7.120 0.263 595 HB VAL 70 HB VAL 70 3.289 -8.144 -1.956 596 HG11 VAL 70 HG11 VAL 70 1.935 -5.508 -1.467 597 HG12 VAL 70 HG12 VAL 70 3.334 -5.665 -2.528 598 HG13 VAL 70 HG13 VAL 70 1.847 -6.541 -2.893 599 HG21 VAL 70 HG21 VAL 70 4.658 -7.857 -0.045 600 HG22 VAL 70 HG22 VAL 70 4.881 -6.414 -1.033 601 HG23 VAL 70 HG23 VAL 70 3.849 -6.353 0.396 602 H TYR 71 H TYR 71 -0.093 -6.509 -1.206 603 HA TYR 71 HA TYR 71 -1.171 -8.616 -2.941 604 HB2 TYR 71 HB2 TYR 71 -2.577 -7.211 -0.703 605 HB3 TYR 71 HB3 TYR 71 -3.494 -7.686 -2.128 606 HD1 TYR 71 HD1 TYR 71 -1.064 -9.132 0.318 607 HD2 TYR 71 HD2 TYR 71 -4.471 -9.779 -2.148 608 HE1 TYR 71 HE1 TYR 71 -1.282 -11.407 1.227 609 HE2 TYR 71 HE2 TYR 71 -4.699 -12.056 -1.244 610 HH TYR 71 HH TYR 71 -3.544 -13.708 -0.103 611 H ARG 72 H ARG 72 -2.358 -7.881 -4.726 612 HA ARG 72 HA ARG 72 -1.994 -5.018 -5.312 613 HB2 ARG 72 HB2 ARG 72 -1.348 -7.381 -6.803 614 HB3 ARG 72 HB3 ARG 72 -2.538 -6.445 -7.696 615 HG2 ARG 72 HG2 ARG 72 -1.123 -4.523 -7.708 616 HG3 ARG 72 HG3 ARG 72 0.019 -5.295 -6.605 617 HD2 ARG 72 HD2 ARG 72 0.691 -5.273 -9.032 618 HD3 ARG 72 HD3 ARG 72 0.693 -6.855 -8.254 619 HE ARG 72 HE ARG 72 -1.008 -7.513 -9.649 620 HH11 ARG 72 HH11 ARG 72 -0.616 -4.059 -9.839 621 HH12 ARG 72 HH12 ARG 72 -1.683 -3.883 -11.193 622 HH21 ARG 72 HH21 ARG 72 -2.414 -7.293 -11.432 623 HH22 ARG 72 HH22 ARG 72 -2.706 -5.722 -12.098 624 H VAL 73 H VAL 73 -3.663 -3.865 -6.311 625 HA VAL 73 HA VAL 73 -6.252 -5.201 -6.592 626 HB VAL 73 HB VAL 73 -7.316 -3.181 -5.445 627 HG11 VAL 73 HG11 VAL 73 -7.222 -5.468 -4.501 628 HG12 VAL 73 HG12 VAL 73 -5.700 -5.048 -3.713 629 HG13 VAL 73 HG13 VAL 73 -7.185 -4.208 -3.267 630 HG21 VAL 73 HG21 VAL 73 -4.512 -2.919 -4.361 631 HG22 VAL 73 HG22 VAL 73 -5.352 -1.751 -5.381 632 HG23 VAL 73 HG23 VAL 73 -5.930 -2.071 -3.746 633 H THR 74 H THR 74 -7.600 -4.302 -8.113 634 HA THR 74 HA THR 74 -6.465 -2.069 -9.667 635 HB THR 74 HB THR 74 -7.725 -2.994 -11.612 636 HG1 THR 74 HG1 THR 74 -8.053 -5.298 -9.969 637 HG21 THR 74 HG21 THR 74 -5.352 -4.029 -10.383 638 HG22 THR 74 HG22 THR 74 -6.195 -5.330 -11.224 639 HG23 THR 74 HG23 THR 74 -5.735 -3.868 -12.097 640 H SER 75 H SER 75 -9.315 -3.387 -8.150 641 HA SER 75 HA SER 75 -10.844 -1.004 -8.959 642 HB2 SER 75 HB2 SER 75 -11.540 -3.732 -9.002 643 HB3 SER 75 HB3 SER 75 -12.458 -3.023 -7.672 644 HG SER 75 HG SER 75 -13.121 -2.919 -10.142 645 H ASN 76 H ASN 76 -12.435 -0.234 -7.294 646 HA ASN 76 HA ASN 76 -11.045 0.367 -4.881 647 HB2 ASN 76 HB2 ASN 76 -12.944 1.725 -4.318 648 HB3 ASN 76 HB3 ASN 76 -12.649 1.912 -6.044 649 HD21 ASN 76 HD21 ASN 76 -14.125 1.131 -7.506 650 HD22 ASN 76 HD22 ASN 76 -15.697 0.580 -7.049 651 H ASP 77 H ASP 77 -13.557 -1.896 -5.780 652 HA ASP 77 HA ASP 77 -14.398 -2.577 -3.164 653 HB2 ASP 77 HB2 ASP 77 -14.545 -4.073 -5.785 654 HB3 ASP 77 HB3 ASP 77 -15.266 -4.668 -4.292 655 H GLU 78 H GLU 78 -11.684 -3.510 -5.108 656 HA GLU 78 HA GLU 78 -11.055 -5.882 -3.620 657 HB2 GLU 78 HB2 GLU 78 -9.155 -4.313 -5.357 658 HB3 GLU 78 HB3 GLU 78 -9.098 -6.024 -4.963 659 HG2 GLU 78 HG2 GLU 78 -11.476 -5.963 -6.158 660 HG3 GLU 78 HG3 GLU 78 -10.724 -4.590 -6.969 661 H VAL 79 H VAL 79 -10.212 -2.496 -3.452 662 HA VAL 79 HA VAL 79 -8.000 -2.792 -1.681 663 HB VAL 79 HB VAL 79 -9.753 -0.373 -2.141 664 HG11 VAL 79 HG11 VAL 79 -8.606 0.092 -0.176 665 HG12 VAL 79 HG12 VAL 79 -7.167 -0.789 -0.690 666 HG13 VAL 79 HG13 VAL 79 -7.551 0.772 -1.414 667 HG21 VAL 79 HG21 VAL 79 -8.733 -0.084 -4.094 668 HG22 VAL 79 HG22 VAL 79 -7.149 -0.228 -3.334 669 HG23 VAL 79 HG23 VAL 79 -7.989 -1.671 -3.899 670 H GLU 80 H GLU 80 -11.420 -1.954 -1.206 671 HA GLU 80 HA GLU 80 -11.207 -1.703 1.621 672 HB2 GLU 80 HB2 GLU 80 -13.693 -1.746 1.570 673 HB3 GLU 80 HB3 GLU 80 -12.992 -0.569 0.470 674 HG2 GLU 80 HG2 GLU 80 -14.033 -1.480 -1.252 675 HG3 GLU 80 HG3 GLU 80 -13.348 -3.063 -0.887 676 H GLN 81 H GLN 81 -11.877 -4.345 -0.563 677 HA GLN 81 HA GLN 81 -12.938 -6.148 1.344 678 HB2 GLN 81 HB2 GLN 81 -11.847 -6.352 -1.416 679 HB3 GLN 81 HB3 GLN 81 -11.932 -7.832 -0.470 680 HG2 GLN 81 HG2 GLN 81 -14.278 -6.003 -0.897 681 HG3 GLN 81 HG3 GLN 81 -13.903 -7.374 -1.940 682 HE21 GLN 81 HE21 GLN 81 -16.271 -7.537 -0.930 683 HE22 GLN 81 HE22 GLN 81 -16.365 -8.627 0.408 684 H VAL 82 H VAL 82 -9.681 -5.915 -0.089 685 HA VAL 82 HA VAL 82 -8.498 -7.909 1.489 686 HB VAL 82 HB VAL 82 -6.332 -6.810 0.916 687 HG11 VAL 82 HG11 VAL 82 -6.737 -8.296 -0.729 688 HG12 VAL 82 HG12 VAL 82 -8.372 -7.700 -1.011 689 HG13 VAL 82 HG13 VAL 82 -6.992 -6.847 -1.702 690 HG21 VAL 82 HG21 VAL 82 -8.202 -4.691 -0.038 691 HG22 VAL 82 HG22 VAL 82 -6.666 -4.537 0.814 692 HG23 VAL 82 HG23 VAL 82 -6.686 -4.952 -0.900 693 H VAL 83 H VAL 83 -8.717 -4.401 1.961 694 HA VAL 83 HA VAL 83 -7.172 -4.308 4.327 695 HB VAL 83 HB VAL 83 -9.294 -2.422 3.299 696 HG11 VAL 83 HG11 VAL 83 -8.063 -0.806 4.884 697 HG12 VAL 83 HG12 VAL 83 -9.231 -1.934 5.574 698 HG13 VAL 83 HG13 VAL 83 -7.504 -2.268 5.697 699 HG21 VAL 83 HG21 VAL 83 -6.934 -2.911 2.162 700 HG22 VAL 83 HG22 VAL 83 -7.653 -1.301 2.195 701 HG23 VAL 83 HG23 VAL 83 -6.411 -1.738 3.369 702 H LYS 84 H LYS 84 -10.676 -4.481 3.777 703 HA LYS 84 HA LYS 84 -11.648 -4.252 6.318 704 HB2 LYS 84 HB2 LYS 84 -12.508 -5.731 3.901 705 HB3 LYS 84 HB3 LYS 84 -13.251 -6.230 5.414 706 HG2 LYS 84 HG2 LYS 84 -13.254 -3.367 5.215 707 HG3 LYS 84 HG3 LYS 84 -13.978 -4.085 3.774 708 HD2 LYS 84 HD2 LYS 84 -15.761 -4.879 4.910 709 HD3 LYS 84 HD3 LYS 84 -14.802 -5.281 6.336 710 HE2 LYS 84 HE2 LYS 84 -14.784 -2.483 6.154 711 HE3 LYS 84 HE3 LYS 84 -16.445 -2.977 5.827 712 HZ1 LYS 84 HZ1 LYS 84 -16.154 -4.430 7.899 713 HZ2 LYS 84 HZ2 LYS 84 -14.827 -3.439 8.251 714 HZ3 LYS 84 HZ3 LYS 84 -16.374 -2.767 8.118 715 H ASP 85 H ASP 85 -10.736 -7.353 4.802 716 HA ASP 85 HA ASP 85 -10.947 -8.841 7.202 717 HB2 ASP 85 HB2 ASP 85 -10.812 -9.550 4.625 718 HB3 ASP 85 HB3 ASP 85 -9.121 -9.788 5.055 719 H VAL 86 H VAL 86 -8.421 -6.923 5.805 720 HA VAL 86 HA VAL 86 -6.408 -6.234 6.626 721 HB VAL 86 HB VAL 86 -6.976 -7.759 9.160 722 HG11 VAL 86 HG11 VAL 86 -4.719 -6.760 8.779 723 HG12 VAL 86 HG12 VAL 86 -5.491 -5.175 8.717 724 HG13 VAL 86 HG13 VAL 86 -5.561 -6.134 10.196 725 HG21 VAL 86 HG21 VAL 86 -8.004 -5.044 8.348 726 HG22 VAL 86 HG22 VAL 86 -8.961 -6.477 8.728 727 HG23 VAL 86 HG23 VAL 86 -8.036 -5.671 9.996 728 H LYS 87 H LYS 87 -6.178 -8.216 4.926 729 HA LYS 87 HA LYS 87 -3.762 -9.462 5.553 730 HB2 LYS 87 HB2 LYS 87 -4.635 -11.866 5.563 731 HB3 LYS 87 HB3 LYS 87 -4.822 -10.940 7.046 732 HG2 LYS 87 HG2 LYS 87 -7.133 -10.611 6.659 733 HG3 LYS 87 HG3 LYS 87 -7.008 -11.207 5.002 734 HD2 LYS 87 HD2 LYS 87 -6.079 -13.100 7.040 735 HD3 LYS 87 HD3 LYS 87 -7.794 -12.696 7.151 736 HE2 LYS 87 HE2 LYS 87 -7.124 -13.118 4.412 737 HE3 LYS 87 HE3 LYS 87 -6.515 -14.476 5.358 738 HZ1 LYS 87 HZ1 LYS 87 -8.573 -15.196 5.795 739 HZ2 LYS 87 HZ2 LYS 87 -9.197 -13.642 6.037 740 HZ3 LYS 87 HZ3 LYS 87 -9.034 -14.254 4.468 741 H GLY 88 H GLY 88 -6.773 -9.718 3.721 742 HA2 GLY 88 HA2 GLY 88 -6.165 -9.192 1.251 743 HA3 GLY 88 HA3 GLY 88 -5.259 -10.691 1.396 744 H SER 89 H SER 89 -6.840 -11.005 -0.520 745 HA SER 89 HA SER 89 -9.052 -12.609 0.504 746 HB2 SER 89 HB2 SER 89 -10.733 -11.593 -0.793 747 HB3 SER 89 HB3 SER 89 -9.837 -10.230 -0.123 748 HG SER 89 HG SER 89 -10.342 -10.614 -2.617 749 H GLY 90 H GLY 90 -10.025 -13.975 -1.246 750 HA2 GLY 90 HA2 GLY 90 -8.304 -14.413 -3.561 751 HA3 GLY 90 HA3 GLY 90 -8.400 -15.726 -2.398 752 H LEU 91 H LEU 91 -11.057 -13.583 -3.246 753 HA LEU 91 HA LEU 91 -12.543 -15.924 -4.200 754 HB2 LEU 91 HB2 LEU 91 -13.462 -14.510 -2.356 755 HB3 LEU 91 HB3 LEU 91 -13.591 -13.184 -3.511 756 HG LEU 91 HG LEU 91 -14.932 -15.590 -4.441 757 HD11 LEU 91 HD11 LEU 91 -15.131 -15.668 -1.862 758 HD12 LEU 91 HD12 LEU 91 -16.229 -14.304 -2.072 759 HD13 LEU 91 HD13 LEU 91 -16.585 -15.849 -2.844 760 HD21 LEU 91 HD21 LEU 91 -15.501 -12.678 -4.119 761 HD22 LEU 91 HD22 LEU 91 -15.504 -13.673 -5.576 762 HD23 LEU 91 HD23 LEU 91 -16.832 -13.794 -4.422 763 H GLU 92 H GLU 92 -12.833 -16.213 -6.302 764 HA GLU 92 HA GLU 92 -13.479 -14.083 -8.083 765 HB2 GLU 92 HB2 GLU 92 -10.731 -14.559 -7.708 766 HB3 GLU 92 HB3 GLU 92 -11.136 -15.284 -9.258 767 HG2 GLU 92 HG2 GLU 92 -12.408 -12.863 -9.386 768 HG3 GLU 92 HG3 GLU 92 -10.936 -12.482 -8.494 769 H HIS 93 H HIS 93 -12.217 -17.386 -7.822 770 HA HIS 93 HA HIS 93 -13.200 -18.337 -10.275 771 HB2 HIS 93 HB2 HIS 93 -11.636 -19.388 -8.327 772 HB3 HIS 93 HB3 HIS 93 -13.139 -20.252 -8.022 773 HD1 HIS 93 HD1 HIS 93 -14.006 -21.818 -9.938 774 HD2 HIS 93 HD2 HIS 93 -10.249 -20.169 -10.592 775 HE1 HIS 93 HE1 HIS 93 -13.006 -23.150 -11.822 776 H HIS 94 H HIS 94 -15.189 -18.790 -10.949 777 HA HIS 94 HA HIS 94 -17.331 -18.977 -8.938 778 HB2 HIS 94 HB2 HIS 94 -17.442 -17.037 -10.521 779 HB3 HIS 94 HB3 HIS 94 -17.612 -18.188 -11.844 780 HD1 HIS 94 HD1 HIS 94 -19.973 -17.751 -12.548 781 HD2 HIS 94 HD2 HIS 94 -19.624 -18.357 -8.453 782 HE1 HIS 94 HE1 HIS 94 -22.331 -17.867 -11.683 783 H HIS 95 H HIS 95 -18.781 -20.648 -9.015 784 HA HIS 95 HA HIS 95 -18.382 -22.677 -11.107 785 HB2 HIS 95 HB2 HIS 95 -17.751 -22.941 -8.349 786 HB3 HIS 95 HB3 HIS 95 -19.161 -23.949 -8.667 787 HD1 HIS 95 HD1 HIS 95 -16.072 -23.331 -10.806 788 HD2 HIS 95 HD2 HIS 95 -18.155 -26.437 -8.996 789 HE1 HIS 95 HE1 HIS 95 -14.897 -25.436 -11.521 790 H HIS 96 H HIS 96 -20.201 -23.279 -12.084 791 HA HIS 96 HA HIS 96 -22.693 -22.126 -11.452 792 HB2 HIS 96 HB2 HIS 96 -23.602 -23.665 -13.172 793 HB3 HIS 96 HB3 HIS 96 -22.170 -22.802 -13.725 794 HD1 HIS 96 HD1 HIS 96 -20.439 -24.217 -14.781 795 HD2 HIS 96 HD2 HIS 96 -22.893 -26.410 -12.246 796 HE1 HIS 96 HE1 HIS 96 -19.701 -26.608 -15.034 797 H HIS 97 H HIS 97 -24.663 -23.191 -10.821 798 HA HIS 97 HA HIS 97 -24.731 -25.806 -9.754 799 HB2 HIS 97 HB2 HIS 97 -23.296 -24.503 -8.056 800 HB3 HIS 97 HB3 HIS 97 -24.797 -23.701 -7.602 801 HD1 HIS 97 HD1 HIS 97 -25.142 -27.255 -8.506 802 HD2 HIS 97 HD2 HIS 97 -24.490 -25.014 -5.068 803 HE1 HIS 97 HE1 HIS 97 -25.595 -28.819 -6.588 804 H HIS 98 H HIS 98 -26.054 -22.530 -9.457 805 HA HIS 98 HA HIS 98 -28.184 -21.733 -9.536 806 HB2 HIS 98 HB2 HIS 98 -28.179 -24.075 -11.249 807 HB3 HIS 98 HB3 HIS 98 -29.758 -23.826 -10.510 808 HD1 HIS 98 HD1 HIS 98 -30.017 -20.815 -10.574 809 HD2 HIS 98 HD2 HIS 98 -28.460 -23.025 -13.729 810 HE1 HIS 98 HE1 HIS 98 -30.314 -19.375 -12.615 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -2.698 -8.185 13.573 2 HA2 GLY 1 HA2 GLY 1 -2.805 -8.166 10.918 3 HA3 GLY 1 HA3 GLY 1 -4.169 -7.586 11.863 4 H ARG 2 H ARG 2 -1.026 -6.418 10.649 5 HA ARG 2 HA ARG 2 -2.141 -3.733 10.399 6 HB2 ARG 2 HB2 ARG 2 0.674 -4.648 9.799 7 HB3 ARG 2 HB3 ARG 2 0.117 -2.995 10.019 8 HG2 ARG 2 HG2 ARG 2 0.466 -3.112 12.200 9 HG3 ARG 2 HG3 ARG 2 -0.536 -4.559 12.330 10 HD2 ARG 2 HD2 ARG 2 2.140 -4.959 11.167 11 HD3 ARG 2 HD3 ARG 2 2.112 -4.491 12.866 12 HE ARG 2 HE ARG 2 0.312 -6.640 12.235 13 HH11 ARG 2 HH11 ARG 2 3.582 -5.806 13.094 14 HH12 ARG 2 HH12 ARG 2 3.937 -7.360 13.772 15 HH21 ARG 2 HH21 ARG 2 0.770 -8.689 13.126 16 HH22 ARG 2 HH22 ARG 2 2.338 -8.999 13.789 17 H VAL 3 H VAL 3 -2.259 -2.601 8.461 18 HA VAL 3 HA VAL 3 -1.579 -3.961 5.980 19 HB VAL 3 HB VAL 3 -3.753 -3.823 5.000 20 HG11 VAL 3 HG11 VAL 3 -5.039 -5.368 6.409 21 HG12 VAL 3 HG12 VAL 3 -3.337 -5.822 6.319 22 HG13 VAL 3 HG13 VAL 3 -3.961 -5.021 7.761 23 HG21 VAL 3 HG21 VAL 3 -5.714 -3.093 6.446 24 HG22 VAL 3 HG22 VAL 3 -4.516 -2.383 7.527 25 HG23 VAL 3 HG23 VAL 3 -4.644 -1.819 5.861 26 H VAL 4 H VAL 4 -1.308 -2.581 4.234 27 HA VAL 4 HA VAL 4 -1.769 0.282 4.706 28 HB VAL 4 HB VAL 4 0.808 -0.911 3.675 29 HG11 VAL 4 HG11 VAL 4 0.754 1.009 2.456 30 HG12 VAL 4 HG12 VAL 4 -0.315 1.832 3.591 31 HG13 VAL 4 HG13 VAL 4 1.401 1.665 3.960 32 HG21 VAL 4 HG21 VAL 4 1.822 0.052 5.655 33 HG22 VAL 4 HG22 VAL 4 0.265 0.707 6.163 34 HG23 VAL 4 HG23 VAL 4 0.516 -1.038 6.119 35 H VAL 5 H VAL 5 -2.473 1.403 2.966 36 HA VAL 5 HA VAL 5 -2.845 -0.113 0.478 37 HB VAL 5 HB VAL 5 -4.256 2.380 1.438 38 HG11 VAL 5 HG11 VAL 5 -4.335 2.535 -0.878 39 HG12 VAL 5 HG12 VAL 5 -4.435 0.788 -1.092 40 HG13 VAL 5 HG13 VAL 5 -5.829 1.684 -0.490 41 HG21 VAL 5 HG21 VAL 5 -5.054 -0.520 1.385 42 HG22 VAL 5 HG22 VAL 5 -4.995 0.571 2.768 43 HG23 VAL 5 HG23 VAL 5 -6.226 0.790 1.524 44 H VAL 6 H VAL 6 -1.752 0.418 -1.295 45 HA VAL 6 HA VAL 6 -0.398 3.037 -1.366 46 HB VAL 6 HB VAL 6 0.545 0.629 -2.899 47 HG11 VAL 6 HG11 VAL 6 1.847 3.190 -1.990 48 HG12 VAL 6 HG12 VAL 6 2.712 1.855 -2.750 49 HG13 VAL 6 HG13 VAL 6 1.457 2.715 -3.643 50 HG21 VAL 6 HG21 VAL 6 0.684 -0.245 -0.754 51 HG22 VAL 6 HG22 VAL 6 2.269 0.496 -0.969 52 HG23 VAL 6 HG23 VAL 6 1.030 1.325 -0.028 53 H VAL 7 H VAL 7 -0.657 4.309 -3.121 54 HA VAL 7 HA VAL 7 -2.148 3.206 -5.411 55 HB VAL 7 HB VAL 7 -3.368 5.306 -5.636 56 HG11 VAL 7 HG11 VAL 7 -4.632 3.772 -4.451 57 HG12 VAL 7 HG12 VAL 7 -3.549 3.799 -3.058 58 HG13 VAL 7 HG13 VAL 7 -4.624 5.165 -3.367 59 HG21 VAL 7 HG21 VAL 7 -1.859 6.903 -4.743 60 HG22 VAL 7 HG22 VAL 7 -3.286 6.931 -3.707 61 HG23 VAL 7 HG23 VAL 7 -1.826 6.098 -3.174 62 H THR 8 H THR 8 -1.805 4.289 -7.434 63 HA THR 8 HA THR 8 0.924 5.242 -7.701 64 HB THR 8 HB THR 8 -0.869 5.117 -10.068 65 HG1 THR 8 HG1 THR 8 0.196 2.714 -9.027 66 HG21 THR 8 HG21 THR 8 1.167 4.026 -11.026 67 HG22 THR 8 HG22 THR 8 1.445 5.656 -10.414 68 HG23 THR 8 HG23 THR 8 1.962 4.260 -9.469 69 H SER 9 H SER 9 -2.255 6.535 -7.588 70 HA SER 9 HA SER 9 -1.214 9.157 -8.442 71 HB2 SER 9 HB2 SER 9 -4.122 8.427 -8.666 72 HB3 SER 9 HB3 SER 9 -3.228 9.686 -9.519 73 HG SER 9 HG SER 9 -2.999 8.270 -11.041 74 H GLU 10 H GLU 10 -1.839 10.960 -7.257 75 HA GLU 10 HA GLU 10 -2.259 10.567 -4.502 76 HB2 GLU 10 HB2 GLU 10 -2.360 12.968 -4.329 77 HB3 GLU 10 HB3 GLU 10 -1.119 12.539 -5.498 78 HG2 GLU 10 HG2 GLU 10 -2.967 12.887 -7.257 79 HG3 GLU 10 HG3 GLU 10 -3.813 13.745 -5.969 80 H GLN 11 H GLN 11 -4.448 11.184 -7.155 81 HA GLN 11 HA GLN 11 -6.707 12.034 -5.777 82 HB2 GLN 11 HB2 GLN 11 -6.154 11.543 -8.375 83 HB3 GLN 11 HB3 GLN 11 -7.161 10.149 -8.012 84 HG2 GLN 11 HG2 GLN 11 -8.789 11.895 -7.013 85 HG3 GLN 11 HG3 GLN 11 -7.866 13.048 -7.976 86 HE21 GLN 11 HE21 GLN 11 -10.489 12.762 -8.493 87 HE22 GLN 11 HE22 GLN 11 -10.729 11.935 -9.991 88 H VAL 12 H VAL 12 -5.734 8.714 -6.611 89 HA VAL 12 HA VAL 12 -7.900 7.396 -5.432 90 HB VAL 12 HB VAL 12 -5.088 6.311 -5.582 91 HG11 VAL 12 HG11 VAL 12 -6.181 4.152 -5.753 92 HG12 VAL 12 HG12 VAL 12 -6.707 4.984 -4.289 93 HG13 VAL 12 HG13 VAL 12 -7.765 4.926 -5.699 94 HG21 VAL 12 HG21 VAL 12 -5.405 7.001 -7.766 95 HG22 VAL 12 HG22 VAL 12 -6.039 5.355 -7.808 96 HG23 VAL 12 HG23 VAL 12 -7.146 6.726 -7.711 97 H LYS 13 H LYS 13 -4.805 8.426 -4.073 98 HA LYS 13 HA LYS 13 -4.963 7.164 -1.595 99 HB2 LYS 13 HB2 LYS 13 -2.914 8.207 -2.229 100 HB3 LYS 13 HB3 LYS 13 -3.693 9.771 -2.427 101 HG2 LYS 13 HG2 LYS 13 -3.989 8.689 0.257 102 HG3 LYS 13 HG3 LYS 13 -2.305 8.925 -0.218 103 HD2 LYS 13 HD2 LYS 13 -2.962 11.250 -0.948 104 HD3 LYS 13 HD3 LYS 13 -4.514 10.971 -0.154 105 HE2 LYS 13 HE2 LYS 13 -2.156 10.344 1.481 106 HE3 LYS 13 HE3 LYS 13 -2.327 12.045 1.051 107 HZ1 LYS 13 HZ1 LYS 13 -4.523 10.450 2.244 108 HZ2 LYS 13 HZ2 LYS 13 -3.434 11.357 3.168 109 HZ3 LYS 13 HZ3 LYS 13 -4.448 12.130 2.056 110 H GLU 14 H GLU 14 -6.113 10.396 -2.542 111 HA GLU 14 HA GLU 14 -7.110 11.192 -0.067 112 HB2 GLU 14 HB2 GLU 14 -7.344 12.056 -2.824 113 HB3 GLU 14 HB3 GLU 14 -8.857 12.274 -1.958 114 HG2 GLU 14 HG2 GLU 14 -6.279 13.222 -0.781 115 HG3 GLU 14 HG3 GLU 14 -7.134 14.188 -1.983 116 H GLU 15 H GLU 15 -8.681 9.380 -2.675 117 HA GLU 15 HA GLU 15 -11.233 9.243 -1.479 118 HB2 GLU 15 HB2 GLU 15 -9.991 7.272 -3.404 119 HB3 GLU 15 HB3 GLU 15 -11.707 7.487 -3.088 120 HG2 GLU 15 HG2 GLU 15 -10.020 9.728 -4.137 121 HG3 GLU 15 HG3 GLU 15 -10.727 8.521 -5.209 122 H VAL 16 H VAL 16 -8.389 7.173 -1.279 123 HA VAL 16 HA VAL 16 -9.640 5.079 0.178 124 HB VAL 16 HB VAL 16 -6.715 5.818 0.012 125 HG11 VAL 16 HG11 VAL 16 -6.338 4.241 1.526 126 HG12 VAL 16 HG12 VAL 16 -8.068 3.923 1.655 127 HG13 VAL 16 HG13 VAL 16 -7.098 3.055 0.465 128 HG21 VAL 16 HG21 VAL 16 -7.674 3.451 -1.411 129 HG22 VAL 16 HG22 VAL 16 -8.343 4.967 -2.015 130 HG23 VAL 16 HG23 VAL 16 -6.595 4.739 -1.948 131 H ARG 17 H ARG 17 -7.562 7.795 1.158 132 HA ARG 17 HA ARG 17 -7.506 7.247 3.897 133 HB2 ARG 17 HB2 ARG 17 -6.181 8.987 2.493 134 HB3 ARG 17 HB3 ARG 17 -7.534 10.056 2.839 135 HG2 ARG 17 HG2 ARG 17 -6.385 8.664 5.163 136 HG3 ARG 17 HG3 ARG 17 -5.342 9.853 4.382 137 HD2 ARG 17 HD2 ARG 17 -8.152 10.642 4.887 138 HD3 ARG 17 HD3 ARG 17 -7.099 10.491 6.292 139 HE ARG 17 HE ARG 17 -5.942 12.042 4.177 140 HH11 ARG 17 HH11 ARG 17 -8.070 12.126 6.932 141 HH12 ARG 17 HH12 ARG 17 -7.845 13.819 7.218 142 HH21 ARG 17 HH21 ARG 17 -5.639 14.274 4.544 143 HH22 ARG 17 HH22 ARG 17 -6.463 15.041 5.859 144 H LYS 18 H LYS 18 -9.926 8.800 1.914 145 HA LYS 18 HA LYS 18 -11.424 9.913 4.076 146 HB2 LYS 18 HB2 LYS 18 -11.428 10.498 1.516 147 HB3 LYS 18 HB3 LYS 18 -12.660 9.245 1.432 148 HG2 LYS 18 HG2 LYS 18 -14.101 10.441 2.884 149 HG3 LYS 18 HG3 LYS 18 -12.828 11.590 3.306 150 HD2 LYS 18 HD2 LYS 18 -12.835 12.497 1.078 151 HD3 LYS 18 HD3 LYS 18 -13.963 11.254 0.531 152 HE2 LYS 18 HE2 LYS 18 -14.988 12.684 2.826 153 HE3 LYS 18 HE3 LYS 18 -14.597 13.782 1.504 154 HZ1 LYS 18 HZ1 LYS 18 -16.399 11.427 1.380 155 HZ2 LYS 18 HZ2 LYS 18 -16.846 13.055 1.270 156 HZ3 LYS 18 HZ3 LYS 18 -15.936 12.342 0.034 157 H LYS 19 H LYS 19 -11.643 6.950 2.159 158 HA LYS 19 HA LYS 19 -14.057 6.017 3.314 159 HB2 LYS 19 HB2 LYS 19 -11.820 4.621 1.848 160 HB3 LYS 19 HB3 LYS 19 -13.250 3.772 2.421 161 HG2 LYS 19 HG2 LYS 19 -13.964 6.134 0.921 162 HG3 LYS 19 HG3 LYS 19 -12.931 5.053 -0.018 163 HD2 LYS 19 HD2 LYS 19 -14.531 3.483 -0.192 164 HD3 LYS 19 HD3 LYS 19 -15.052 3.694 1.481 165 HE2 LYS 19 HE2 LYS 19 -16.434 5.522 0.925 166 HE3 LYS 19 HE3 LYS 19 -15.690 5.700 -0.663 167 HZ1 LYS 19 HZ1 LYS 19 -17.009 4.139 -1.539 168 HZ2 LYS 19 HZ2 LYS 19 -16.898 3.121 -0.191 169 HZ3 LYS 19 HZ3 LYS 19 -17.996 4.407 -0.191 170 H PHE 20 H PHE 20 -10.643 5.437 4.052 171 HA PHE 20 HA PHE 20 -11.429 4.550 6.724 172 HB2 PHE 20 HB2 PHE 20 -9.390 3.019 5.106 173 HB3 PHE 20 HB3 PHE 20 -10.063 2.587 6.675 174 HD1 PHE 20 HD1 PHE 20 -10.577 2.583 3.077 175 HD2 PHE 20 HD2 PHE 20 -12.339 1.717 6.854 176 HE1 PHE 20 HE1 PHE 20 -12.320 1.257 1.956 177 HE2 PHE 20 HE2 PHE 20 -14.084 0.388 5.739 178 HZ PHE 20 HZ PHE 20 -14.076 0.156 3.286 179 HA PRO 21 HA PRO 21 -7.957 7.599 6.780 180 HB2 PRO 21 HB2 PRO 21 -8.953 9.025 8.864 181 HB3 PRO 21 HB3 PRO 21 -9.424 9.320 7.187 182 HG2 PRO 21 HG2 PRO 21 -10.855 7.771 9.312 183 HG3 PRO 21 HG3 PRO 21 -11.512 8.918 8.130 184 HD2 PRO 21 HD2 PRO 21 -11.682 6.235 7.807 185 HD3 PRO 21 HD3 PRO 21 -11.533 7.354 6.436 186 H GLN 22 H GLN 22 -9.478 5.566 9.166 187 HA GLN 22 HA GLN 22 -7.560 5.925 11.232 188 HB2 GLN 22 HB2 GLN 22 -8.573 3.976 12.266 189 HB3 GLN 22 HB3 GLN 22 -9.827 5.036 11.635 190 HG2 GLN 22 HG2 GLN 22 -9.919 3.565 9.610 191 HG3 GLN 22 HG3 GLN 22 -8.852 2.450 10.461 192 HE21 GLN 22 HE21 GLN 22 -9.953 0.795 11.205 193 HE22 GLN 22 HE22 GLN 22 -11.517 0.852 11.937 194 H VAL 23 H VAL 23 -7.684 3.976 8.368 195 HA VAL 23 HA VAL 23 -5.555 2.206 9.206 196 HB VAL 23 HB VAL 23 -7.496 1.671 7.561 197 HG11 VAL 23 HG11 VAL 23 -5.667 2.326 5.358 198 HG12 VAL 23 HG12 VAL 23 -7.426 2.430 5.445 199 HG13 VAL 23 HG13 VAL 23 -6.432 3.716 6.130 200 HG21 VAL 23 HG21 VAL 23 -5.083 0.511 8.087 201 HG22 VAL 23 HG22 VAL 23 -6.354 -0.202 7.094 202 HG23 VAL 23 HG23 VAL 23 -5.030 0.680 6.333 203 H GLU 24 H GLU 24 -3.612 1.950 7.778 204 HA GLU 24 HA GLU 24 -2.330 4.519 7.489 205 HB2 GLU 24 HB2 GLU 24 -1.345 1.690 7.113 206 HB3 GLU 24 HB3 GLU 24 -0.334 3.106 6.861 207 HG2 GLU 24 HG2 GLU 24 -0.649 3.760 9.184 208 HG3 GLU 24 HG3 GLU 24 -1.689 2.361 9.444 209 H VAL 25 H VAL 25 -1.935 5.597 5.653 210 HA VAL 25 HA VAL 25 -2.358 4.216 3.090 211 HB VAL 25 HB VAL 25 -4.379 5.487 3.517 212 HG11 VAL 25 HG11 VAL 25 -2.617 7.328 4.714 213 HG12 VAL 25 HG12 VAL 25 -3.383 8.164 3.363 214 HG13 VAL 25 HG13 VAL 25 -4.375 7.417 4.615 215 HG21 VAL 25 HG21 VAL 25 -3.320 5.395 1.215 216 HG22 VAL 25 HG22 VAL 25 -4.495 6.684 1.484 217 HG23 VAL 25 HG23 VAL 25 -2.768 7.044 1.509 218 H ARG 26 H ARG 26 -0.719 4.469 1.726 219 HA ARG 26 HA ARG 26 0.913 6.899 1.868 220 HB2 ARG 26 HB2 ARG 26 2.972 5.489 1.619 221 HB3 ARG 26 HB3 ARG 26 2.177 5.352 3.181 222 HG2 ARG 26 HG2 ARG 26 2.396 3.153 2.862 223 HG3 ARG 26 HG3 ARG 26 0.996 3.331 1.801 224 HD2 ARG 26 HD2 ARG 26 2.203 2.933 -0.044 225 HD3 ARG 26 HD3 ARG 26 3.538 3.948 0.501 226 HE ARG 26 HE ARG 26 3.578 1.610 2.015 227 HH11 ARG 26 HH11 ARG 26 4.002 2.594 -1.298 228 HH12 ARG 26 HH12 ARG 26 5.094 1.302 -1.678 229 HH21 ARG 26 HH21 ARG 26 5.014 -0.095 1.526 230 HH22 ARG 26 HH22 ARG 26 5.667 -0.226 -0.072 231 H VAL 27 H VAL 27 0.924 7.783 -0.082 232 HA VAL 27 HA VAL 27 0.441 6.118 -2.432 233 HB VAL 27 HB VAL 27 -0.933 8.084 -2.299 234 HG11 VAL 27 HG11 VAL 27 -0.204 9.929 -1.304 235 HG12 VAL 27 HG12 VAL 27 1.439 9.287 -1.272 236 HG13 VAL 27 HG13 VAL 27 0.883 10.218 -2.663 237 HG21 VAL 27 HG21 VAL 27 0.893 9.116 -4.344 238 HG22 VAL 27 HG22 VAL 27 0.548 7.391 -4.483 239 HG23 VAL 27 HG23 VAL 27 -0.774 8.559 -4.486 240 H VAL 28 H VAL 28 1.981 5.569 -3.833 241 HA VAL 28 HA VAL 28 4.525 7.055 -3.780 242 HB VAL 28 HB VAL 28 5.766 5.010 -4.109 243 HG11 VAL 28 HG11 VAL 28 3.833 4.675 -1.818 244 HG12 VAL 28 HG12 VAL 28 5.439 3.959 -1.948 245 HG13 VAL 28 HG13 VAL 28 5.263 5.707 -1.803 246 HG21 VAL 28 HG21 VAL 28 4.275 2.843 -3.688 247 HG22 VAL 28 HG22 VAL 28 3.057 3.856 -4.463 248 HG23 VAL 28 HG23 VAL 28 4.565 3.490 -5.303 249 H THR 29 H THR 29 5.438 7.527 -5.719 250 HA THR 29 HA THR 29 4.094 6.498 -8.132 251 HB THR 29 HB THR 29 4.509 8.690 -9.212 252 HG1 THR 29 HG1 THR 29 6.005 9.787 -8.139 253 HG21 THR 29 HG21 THR 29 2.462 9.348 -8.590 254 HG22 THR 29 HG22 THR 29 2.488 8.005 -7.448 255 HG23 THR 29 HG23 THR 29 2.973 9.618 -6.924 256 H THR 30 H THR 30 7.061 7.537 -6.604 257 HA THR 30 HA THR 30 8.577 6.554 -8.934 258 HB THR 30 HB THR 30 10.253 7.991 -7.105 259 HG1 THR 30 HG1 THR 30 9.093 10.085 -7.639 260 HG21 THR 30 HG21 THR 30 9.313 8.715 -9.882 261 HG22 THR 30 HG22 THR 30 10.758 9.314 -9.070 262 HG23 THR 30 HG23 THR 30 10.642 7.614 -9.522 263 H GLU 31 H GLU 31 10.746 5.616 -8.349 264 HA GLU 31 HA GLU 31 10.377 3.450 -6.555 265 HB2 GLU 31 HB2 GLU 31 12.895 4.448 -7.898 266 HB3 GLU 31 HB3 GLU 31 12.731 2.903 -7.076 267 HG2 GLU 31 HG2 GLU 31 11.136 2.142 -8.692 268 HG3 GLU 31 HG3 GLU 31 11.089 3.730 -9.456 269 H GLU 32 H GLU 32 12.299 6.424 -6.399 270 HA GLU 32 HA GLU 32 13.574 5.892 -3.952 271 HB2 GLU 32 HB2 GLU 32 14.326 7.656 -5.466 272 HB3 GLU 32 HB3 GLU 32 12.835 8.547 -5.194 273 HG2 GLU 32 HG2 GLU 32 13.711 9.552 -3.436 274 HG3 GLU 32 HG3 GLU 32 14.052 7.997 -2.678 275 H ASP 33 H ASP 33 10.462 7.350 -4.715 276 HA ASP 33 HA ASP 33 9.837 8.305 -2.145 277 HB2 ASP 33 HB2 ASP 33 8.625 8.385 -4.612 278 HB3 ASP 33 HB3 ASP 33 7.549 7.330 -3.699 279 H ALA 34 H ALA 34 8.865 5.278 -3.757 280 HA ALA 34 HA ALA 34 7.443 4.140 -1.670 281 HB1 ALA 34 HB1 ALA 34 9.138 2.350 -3.326 282 HB2 ALA 34 HB2 ALA 34 7.432 2.219 -2.896 283 HB3 ALA 34 HB3 ALA 34 7.941 3.352 -4.149 284 H LYS 35 H LYS 35 10.922 4.061 -2.307 285 HA LYS 35 HA LYS 35 11.696 2.232 -0.363 286 HB2 LYS 35 HB2 LYS 35 13.094 3.411 -2.189 287 HB3 LYS 35 HB3 LYS 35 13.322 4.682 -0.996 288 HG2 LYS 35 HG2 LYS 35 13.897 2.259 0.308 289 HG3 LYS 35 HG3 LYS 35 14.691 2.190 -1.268 290 HD2 LYS 35 HD2 LYS 35 16.067 3.962 -0.805 291 HD3 LYS 35 HD3 LYS 35 14.919 4.699 0.314 292 HE2 LYS 35 HE2 LYS 35 16.737 3.908 1.618 293 HE3 LYS 35 HE3 LYS 35 15.396 2.796 1.888 294 HZ1 LYS 35 HZ1 LYS 35 17.927 2.110 1.140 295 HZ2 LYS 35 HZ2 LYS 35 16.562 1.113 1.059 296 HZ3 LYS 35 HZ3 LYS 35 17.049 1.993 -0.302 297 H GLN 36 H GLN 36 11.593 5.787 -0.078 298 HA GLN 36 HA GLN 36 12.292 5.987 2.594 299 HB2 GLN 36 HB2 GLN 36 10.427 7.722 0.970 300 HB3 GLN 36 HB3 GLN 36 11.040 8.154 2.561 301 HG2 GLN 36 HG2 GLN 36 13.334 7.556 1.209 302 HG3 GLN 36 HG3 GLN 36 12.333 8.277 -0.050 303 HE21 GLN 36 HE21 GLN 36 14.255 8.833 2.697 304 HE22 GLN 36 HE22 GLN 36 14.029 10.541 2.804 305 H VAL 37 H VAL 37 9.158 5.315 1.141 306 HA VAL 37 HA VAL 37 7.645 5.534 3.535 307 HB VAL 37 HB VAL 37 7.057 4.070 0.960 308 HG11 VAL 37 HG11 VAL 37 5.596 4.192 3.513 309 HG12 VAL 37 HG12 VAL 37 4.633 4.507 2.071 310 HG13 VAL 37 HG13 VAL 37 5.528 2.995 2.220 311 HG21 VAL 37 HG21 VAL 37 6.827 6.836 1.842 312 HG22 VAL 37 HG22 VAL 37 6.761 6.157 0.216 313 HG23 VAL 37 HG23 VAL 37 5.311 6.185 1.219 314 H VAL 38 H VAL 38 9.081 2.782 1.815 315 HA VAL 38 HA VAL 38 8.121 0.680 3.302 316 HB VAL 38 HB VAL 38 10.928 0.973 2.222 317 HG11 VAL 38 HG11 VAL 38 11.034 -0.861 3.653 318 HG12 VAL 38 HG12 VAL 38 9.388 -1.371 3.279 319 HG13 VAL 38 HG13 VAL 38 10.671 -1.588 2.088 320 HG21 VAL 38 HG21 VAL 38 9.995 0.878 0.208 321 HG22 VAL 38 HG22 VAL 38 9.357 -0.716 0.612 322 HG23 VAL 38 HG23 VAL 38 8.388 0.725 0.920 323 H LYS 39 H LYS 39 10.913 2.744 4.028 324 HA LYS 39 HA LYS 39 11.617 1.371 6.422 325 HB2 LYS 39 HB2 LYS 39 12.966 3.064 4.884 326 HB3 LYS 39 HB3 LYS 39 12.330 4.241 6.026 327 HG2 LYS 39 HG2 LYS 39 13.422 3.194 7.849 328 HG3 LYS 39 HG3 LYS 39 13.837 1.783 6.875 329 HD2 LYS 39 HD2 LYS 39 15.514 2.894 5.741 330 HD3 LYS 39 HD3 LYS 39 14.806 4.483 6.040 331 HE2 LYS 39 HE2 LYS 39 16.124 4.746 7.806 332 HE3 LYS 39 HE3 LYS 39 15.432 3.305 8.548 333 HZ1 LYS 39 HZ1 LYS 39 17.236 2.113 8.070 334 HZ2 LYS 39 HZ2 LYS 39 17.356 2.721 6.496 335 HZ3 LYS 39 HZ3 LYS 39 18.013 3.589 7.791 336 H GLU 40 H GLU 40 9.709 4.263 5.711 337 HA GLU 40 HA GLU 40 9.293 5.124 8.341 338 HB2 GLU 40 HB2 GLU 40 8.539 6.002 5.850 339 HB3 GLU 40 HB3 GLU 40 7.004 5.501 6.546 340 HG2 GLU 40 HG2 GLU 40 7.200 7.019 8.334 341 HG3 GLU 40 HG3 GLU 40 8.902 7.323 7.988 342 H VAL 41 H VAL 41 7.337 2.964 6.306 343 HA VAL 41 HA VAL 41 5.363 2.467 8.283 344 HB VAL 41 HB VAL 41 4.615 0.641 6.852 345 HG11 VAL 41 HG11 VAL 41 3.974 1.921 4.980 346 HG12 VAL 41 HG12 VAL 41 4.177 3.077 6.296 347 HG13 VAL 41 HG13 VAL 41 5.428 2.916 5.063 348 HG21 VAL 41 HG21 VAL 41 5.827 0.069 4.800 349 HG22 VAL 41 HG22 VAL 41 7.128 1.164 5.265 350 HG23 VAL 41 HG23 VAL 41 6.791 -0.270 6.237 351 H GLN 42 H GLN 42 8.420 0.965 7.471 352 HA GLN 42 HA GLN 42 8.136 -1.463 8.816 353 HB2 GLN 42 HB2 GLN 42 10.287 0.079 7.662 354 HB3 GLN 42 HB3 GLN 42 10.808 -0.674 9.162 355 HG2 GLN 42 HG2 GLN 42 10.025 -2.850 8.298 356 HG3 GLN 42 HG3 GLN 42 9.625 -2.065 6.771 357 HE21 GLN 42 HE21 GLN 42 11.430 -4.213 7.081 358 HE22 GLN 42 HE22 GLN 42 13.000 -3.659 6.621 359 H LYS 43 H LYS 43 9.124 1.715 9.998 360 HA LYS 43 HA LYS 43 9.704 0.784 12.648 361 HB2 LYS 43 HB2 LYS 43 10.835 2.752 11.780 362 HB3 LYS 43 HB3 LYS 43 9.295 3.572 11.553 363 HG2 LYS 43 HG2 LYS 43 8.934 3.612 13.951 364 HG3 LYS 43 HG3 LYS 43 10.438 2.725 14.208 365 HD2 LYS 43 HD2 LYS 43 11.243 4.849 12.664 366 HD3 LYS 43 HD3 LYS 43 9.998 5.565 13.690 367 HE2 LYS 43 HE2 LYS 43 12.385 3.986 14.644 368 HE3 LYS 43 HE3 LYS 43 12.218 5.740 14.708 369 HZ1 LYS 43 HZ1 LYS 43 11.268 3.796 16.531 370 HZ2 LYS 43 HZ2 LYS 43 11.274 5.481 16.680 371 HZ3 LYS 43 HZ3 LYS 43 9.970 4.702 15.935 372 H LYS 44 H LYS 44 6.936 2.166 11.006 373 HA LYS 44 HA LYS 44 5.411 2.727 13.336 374 HB2 LYS 44 HB2 LYS 44 5.105 3.007 10.514 375 HB3 LYS 44 HB3 LYS 44 3.689 2.168 11.136 376 HG2 LYS 44 HG2 LYS 44 2.887 4.008 12.104 377 HG3 LYS 44 HG3 LYS 44 4.463 4.459 12.758 378 HD2 LYS 44 HD2 LYS 44 5.006 5.732 10.940 379 HD3 LYS 44 HD3 LYS 44 4.036 4.758 9.832 380 HE2 LYS 44 HE2 LYS 44 2.123 5.916 10.272 381 HE3 LYS 44 HE3 LYS 44 2.598 6.285 11.929 382 HZ1 LYS 44 HZ1 LYS 44 4.403 7.606 10.322 383 HZ2 LYS 44 HZ2 LYS 44 2.900 7.861 9.589 384 HZ3 LYS 44 HZ3 LYS 44 3.136 8.295 11.206 385 H GLY 45 H GLY 45 5.426 0.004 11.047 386 HA2 GLY 45 HA2 GLY 45 5.250 -2.223 12.177 387 HA3 GLY 45 HA3 GLY 45 3.881 -1.538 13.041 388 H VAL 46 H VAL 46 5.015 -2.054 9.702 389 HA VAL 46 HA VAL 46 2.228 -2.397 8.860 390 HB VAL 46 HB VAL 46 3.492 -0.852 7.500 391 HG11 VAL 46 HG11 VAL 46 5.733 -1.396 7.763 392 HG12 VAL 46 HG12 VAL 46 5.470 -3.096 7.374 393 HG13 VAL 46 HG13 VAL 46 5.408 -1.880 6.099 394 HG21 VAL 46 HG21 VAL 46 3.294 -3.354 5.852 395 HG22 VAL 46 HG22 VAL 46 1.858 -2.546 6.481 396 HG23 VAL 46 HG23 VAL 46 2.943 -1.689 5.386 397 H GLN 47 H GLN 47 1.491 -4.248 7.848 398 HA GLN 47 HA GLN 47 3.317 -6.556 7.843 399 HB2 GLN 47 HB2 GLN 47 1.590 -6.428 9.773 400 HB3 GLN 47 HB3 GLN 47 0.408 -6.838 8.537 401 HG2 GLN 47 HG2 GLN 47 1.965 -8.814 8.007 402 HG3 GLN 47 HG3 GLN 47 2.683 -8.473 9.580 403 HE21 GLN 47 HE21 GLN 47 1.643 -10.877 9.314 404 HE22 GLN 47 HE22 GLN 47 0.132 -11.021 10.140 405 H LYS 48 H LYS 48 0.416 -5.054 6.525 406 HA LYS 48 HA LYS 48 0.650 -6.809 4.168 407 HB2 LYS 48 HB2 LYS 48 -1.535 -6.551 5.770 408 HB3 LYS 48 HB3 LYS 48 -1.871 -5.327 4.552 409 HG2 LYS 48 HG2 LYS 48 -1.788 -6.942 2.800 410 HG3 LYS 48 HG3 LYS 48 -1.194 -8.186 3.903 411 HD2 LYS 48 HD2 LYS 48 -3.729 -6.922 4.694 412 HD3 LYS 48 HD3 LYS 48 -3.796 -7.867 3.205 413 HE2 LYS 48 HE2 LYS 48 -4.334 -9.343 4.984 414 HE3 LYS 48 HE3 LYS 48 -2.696 -9.740 4.468 415 HZ1 LYS 48 HZ1 LYS 48 -3.394 -8.055 6.813 416 HZ2 LYS 48 HZ2 LYS 48 -2.896 -9.671 6.882 417 HZ3 LYS 48 HZ3 LYS 48 -1.830 -8.479 6.327 418 H VAL 49 H VAL 49 0.104 -5.833 2.096 419 HA VAL 49 HA VAL 49 0.160 -2.931 1.943 420 HB VAL 49 HB VAL 49 2.317 -4.608 0.653 421 HG11 VAL 49 HG11 VAL 49 3.195 -2.316 -0.007 422 HG12 VAL 49 HG12 VAL 49 1.782 -2.904 -0.885 423 HG13 VAL 49 HG13 VAL 49 1.590 -1.702 0.392 424 HG21 VAL 49 HG21 VAL 49 2.878 -4.313 2.933 425 HG22 VAL 49 HG22 VAL 49 3.809 -3.109 2.041 426 HG23 VAL 49 HG23 VAL 49 2.357 -2.628 2.918 427 H VAL 50 H VAL 50 -1.508 -2.533 0.651 428 HA VAL 50 HA VAL 50 -1.945 -4.282 -1.678 429 HB VAL 50 HB VAL 50 -3.968 -2.411 -0.451 430 HG11 VAL 50 HG11 VAL 50 -5.193 -4.579 -1.723 431 HG12 VAL 50 HG12 VAL 50 -5.123 -2.908 -2.283 432 HG13 VAL 50 HG13 VAL 50 -3.899 -4.063 -2.805 433 HG21 VAL 50 HG21 VAL 50 -4.942 -4.353 0.652 434 HG22 VAL 50 HG22 VAL 50 -3.637 -5.370 0.038 435 HG23 VAL 50 HG23 VAL 50 -3.286 -4.090 1.200 436 H VAL 51 H VAL 51 -0.864 -3.368 -3.334 437 HA VAL 51 HA VAL 51 -0.889 -0.486 -3.708 438 HB VAL 51 HB VAL 51 0.656 -0.852 -5.528 439 HG11 VAL 51 HG11 VAL 51 1.855 -2.803 -3.724 440 HG12 VAL 51 HG12 VAL 51 2.381 -1.172 -4.144 441 HG13 VAL 51 HG13 VAL 51 1.168 -1.411 -2.886 442 HG21 VAL 51 HG21 VAL 51 -0.282 -3.662 -5.277 443 HG22 VAL 51 HG22 VAL 51 0.057 -2.707 -6.720 444 HG23 VAL 51 HG23 VAL 51 1.386 -3.382 -5.779 445 H VAL 52 H VAL 52 -1.918 0.601 -5.327 446 HA VAL 52 HA VAL 52 -3.749 -0.981 -7.013 447 HB VAL 52 HB VAL 52 -4.315 1.877 -6.339 448 HG11 VAL 52 HG11 VAL 52 -6.380 -0.244 -6.516 449 HG12 VAL 52 HG12 VAL 52 -6.423 1.429 -7.072 450 HG13 VAL 52 HG13 VAL 52 -5.548 0.212 -8.003 451 HG21 VAL 52 HG21 VAL 52 -4.259 1.321 -4.151 452 HG22 VAL 52 HG22 VAL 52 -5.834 0.616 -4.510 453 HG23 VAL 52 HG23 VAL 52 -4.398 -0.407 -4.476 454 H GLY 53 H GLY 53 -3.492 -0.799 -9.143 455 HA2 GLY 53 HA2 GLY 53 -2.908 0.052 -11.199 456 HA3 GLY 53 HA3 GLY 53 -2.798 1.634 -10.444 457 H VAL 54 H VAL 54 -0.902 -0.708 -8.897 458 HA VAL 54 HA VAL 54 1.515 0.496 -10.022 459 HB VAL 54 HB VAL 54 1.136 -1.252 -7.588 460 HG11 VAL 54 HG11 VAL 54 3.556 -0.287 -7.192 461 HG12 VAL 54 HG12 VAL 54 3.302 -1.757 -8.133 462 HG13 VAL 54 HG13 VAL 54 3.570 -0.219 -8.955 463 HG21 VAL 54 HG21 VAL 54 1.666 0.786 -6.338 464 HG22 VAL 54 HG22 VAL 54 1.764 1.689 -7.850 465 HG23 VAL 54 HG23 VAL 54 0.225 0.997 -7.334 466 H SER 55 H SER 55 3.149 -0.678 -10.974 467 HA SER 55 HA SER 55 2.406 -3.006 -12.394 468 HB2 SER 55 HB2 SER 55 5.298 -2.493 -12.088 469 HB3 SER 55 HB3 SER 55 4.333 -2.683 -13.552 470 HG SER 55 HG SER 55 4.808 -0.586 -13.599 471 H GLU 56 H GLU 56 3.110 -5.141 -12.198 472 HA GLU 56 HA GLU 56 3.368 -6.094 -9.532 473 HB2 GLU 56 HB2 GLU 56 3.570 -8.316 -10.568 474 HB3 GLU 56 HB3 GLU 56 2.220 -7.406 -11.230 475 HG2 GLU 56 HG2 GLU 56 4.116 -6.728 -12.995 476 HG3 GLU 56 HG3 GLU 56 4.707 -8.320 -12.519 477 H LYS 57 H LYS 57 5.622 -5.630 -12.197 478 HA LYS 57 HA LYS 57 7.825 -6.982 -11.096 479 HB2 LYS 57 HB2 LYS 57 9.156 -5.848 -12.726 480 HB3 LYS 57 HB3 LYS 57 7.603 -6.202 -13.471 481 HG2 LYS 57 HG2 LYS 57 6.948 -3.822 -12.791 482 HG3 LYS 57 HG3 LYS 57 8.676 -3.567 -12.534 483 HD2 LYS 57 HD2 LYS 57 7.774 -4.778 -15.103 484 HD3 LYS 57 HD3 LYS 57 7.548 -3.045 -14.858 485 HE2 LYS 57 HE2 LYS 57 9.671 -2.728 -15.428 486 HE3 LYS 57 HE3 LYS 57 10.160 -3.639 -13.999 487 HZ1 LYS 57 HZ1 LYS 57 9.458 -4.962 -16.554 488 HZ2 LYS 57 HZ2 LYS 57 11.033 -4.449 -16.206 489 HZ3 LYS 57 HZ3 LYS 57 10.288 -5.615 -15.231 490 H VAL 58 H VAL 58 6.558 -3.760 -10.590 491 HA VAL 58 HA VAL 58 8.845 -2.744 -9.216 492 HB VAL 58 HB VAL 58 5.981 -1.780 -9.150 493 HG11 VAL 58 HG11 VAL 58 8.546 -0.604 -8.122 494 HG12 VAL 58 HG12 VAL 58 7.154 0.403 -8.520 495 HG13 VAL 58 HG13 VAL 58 7.017 -0.836 -7.273 496 HG21 VAL 58 HG21 VAL 58 7.721 -0.071 -10.609 497 HG22 VAL 58 HG22 VAL 58 7.927 -1.714 -11.215 498 HG23 VAL 58 HG23 VAL 58 6.325 -0.977 -11.192 499 H VAL 59 H VAL 59 5.605 -3.693 -8.053 500 HA VAL 59 HA VAL 59 6.225 -3.536 -5.317 501 HB VAL 59 HB VAL 59 3.931 -3.550 -5.896 502 HG11 VAL 59 HG11 VAL 59 3.380 -6.154 -6.823 503 HG12 VAL 59 HG12 VAL 59 3.225 -4.632 -7.701 504 HG13 VAL 59 HG13 VAL 59 4.732 -5.545 -7.778 505 HG21 VAL 59 HG21 VAL 59 4.695 -4.872 -3.841 506 HG22 VAL 59 HG22 VAL 59 3.047 -5.133 -4.414 507 HG23 VAL 59 HG23 VAL 59 4.307 -6.312 -4.782 508 H GLN 60 H GLN 60 6.549 -6.141 -7.652 509 HA GLN 60 HA GLN 60 6.970 -8.280 -5.917 510 HB2 GLN 60 HB2 GLN 60 7.753 -7.671 -8.728 511 HB3 GLN 60 HB3 GLN 60 8.526 -9.036 -7.933 512 HG2 GLN 60 HG2 GLN 60 6.483 -10.160 -7.642 513 HG3 GLN 60 HG3 GLN 60 5.546 -8.716 -8.021 514 HE21 GLN 60 HE21 GLN 60 4.822 -10.861 -9.338 515 HE22 GLN 60 HE22 GLN 60 5.370 -10.840 -10.976 516 H LYS 61 H LYS 61 9.371 -6.116 -7.412 517 HA LYS 61 HA LYS 61 11.650 -7.215 -6.250 518 HB2 LYS 61 HB2 LYS 61 11.356 -5.341 -8.054 519 HB3 LYS 61 HB3 LYS 61 11.417 -4.256 -6.672 520 HG2 LYS 61 HG2 LYS 61 13.601 -5.201 -6.052 521 HG3 LYS 61 HG3 LYS 61 13.542 -6.230 -7.485 522 HD2 LYS 61 HD2 LYS 61 13.855 -4.465 -8.930 523 HD3 LYS 61 HD3 LYS 61 13.192 -3.283 -7.799 524 HE2 LYS 61 HE2 LYS 61 15.226 -2.801 -7.048 525 HE3 LYS 61 HE3 LYS 61 15.525 -4.495 -6.664 526 HZ1 LYS 61 HZ1 LYS 61 15.898 -4.592 -9.257 527 HZ2 LYS 61 HZ2 LYS 61 16.292 -2.962 -9.030 528 HZ3 LYS 61 HZ3 LYS 61 17.143 -4.163 -8.196 529 H VAL 62 H VAL 62 9.994 -4.237 -5.179 530 HA VAL 62 HA VAL 62 11.336 -3.876 -2.797 531 HB VAL 62 HB VAL 62 8.428 -3.269 -3.349 532 HG11 VAL 62 HG11 VAL 62 8.321 -2.645 -1.217 533 HG12 VAL 62 HG12 VAL 62 10.043 -2.942 -0.984 534 HG13 VAL 62 HG13 VAL 62 9.492 -1.381 -1.591 535 HG21 VAL 62 HG21 VAL 62 9.731 -0.906 -3.516 536 HG22 VAL 62 HG22 VAL 62 10.961 -2.001 -4.147 537 HG23 VAL 62 HG23 VAL 62 9.369 -1.934 -4.902 538 H LYS 63 H LYS 63 8.330 -5.701 -3.332 539 HA LYS 63 HA LYS 63 7.797 -6.475 -0.735 540 HB2 LYS 63 HB2 LYS 63 6.183 -6.962 -2.402 541 HB3 LYS 63 HB3 LYS 63 7.336 -7.882 -3.359 542 HG2 LYS 63 HG2 LYS 63 7.394 -9.605 -1.615 543 HG3 LYS 63 HG3 LYS 63 6.207 -8.687 -0.685 544 HD2 LYS 63 HD2 LYS 63 4.612 -9.779 -1.789 545 HD3 LYS 63 HD3 LYS 63 5.118 -8.927 -3.249 546 HE2 LYS 63 HE2 LYS 63 6.700 -10.715 -3.752 547 HE3 LYS 63 HE3 LYS 63 6.236 -11.555 -2.273 548 HZ1 LYS 63 HZ1 LYS 63 5.142 -12.444 -4.268 549 HZ2 LYS 63 HZ2 LYS 63 4.029 -11.855 -3.138 550 HZ3 LYS 63 HZ3 LYS 63 4.390 -10.950 -4.520 551 H GLN 64 H GLN 64 10.019 -7.927 -3.065 552 HA GLN 64 HA GLN 64 10.684 -10.216 -1.584 553 HB2 GLN 64 HB2 GLN 64 11.317 -9.321 -4.052 554 HB3 GLN 64 HB3 GLN 64 12.823 -8.978 -3.212 555 HG2 GLN 64 HG2 GLN 64 11.458 -11.654 -3.400 556 HG3 GLN 64 HG3 GLN 64 12.903 -11.150 -4.275 557 HE21 GLN 64 HE21 GLN 64 11.667 -12.514 -1.433 558 HE22 GLN 64 HE22 GLN 64 13.150 -12.625 -0.553 559 H GLU 65 H GLU 65 12.200 -7.007 -1.703 560 HA GLU 65 HA GLU 65 14.121 -7.716 0.334 561 HB2 GLU 65 HB2 GLU 65 15.158 -5.714 -0.123 562 HB3 GLU 65 HB3 GLU 65 14.352 -6.014 -1.656 563 HG2 GLU 65 HG2 GLU 65 12.428 -4.632 -0.402 564 HG3 GLU 65 HG3 GLU 65 13.850 -3.943 0.379 565 H ALA 66 H ALA 66 10.926 -7.039 0.442 566 HA ALA 66 HA ALA 66 10.998 -5.378 2.840 567 HB1 ALA 66 HB1 ALA 66 8.546 -5.370 2.644 568 HB2 ALA 66 HB2 ALA 66 9.336 -4.827 1.163 569 HB3 ALA 66 HB3 ALA 66 8.665 -6.455 1.260 570 H ASN 67 H ASN 67 10.284 -8.667 1.839 571 HA ASN 67 HA ASN 67 10.002 -10.594 3.013 572 HB2 ASN 67 HB2 ASN 67 11.984 -9.341 4.317 573 HB3 ASN 67 HB3 ASN 67 10.783 -9.369 5.605 574 HD21 ASN 67 HD21 ASN 67 13.241 -10.723 5.671 575 HD22 ASN 67 HD22 ASN 67 12.920 -12.420 5.714 576 H VAL 68 H VAL 68 7.763 -8.998 2.670 577 HA VAL 68 HA VAL 68 6.197 -9.771 5.017 578 HB VAL 68 HB VAL 68 4.922 -7.637 4.919 579 HG11 VAL 68 HG11 VAL 68 7.852 -7.581 5.590 580 HG12 VAL 68 HG12 VAL 68 6.772 -6.233 5.948 581 HG13 VAL 68 HG13 VAL 68 6.481 -7.813 6.676 582 HG21 VAL 68 HG21 VAL 68 5.207 -6.243 3.215 583 HG22 VAL 68 HG22 VAL 68 6.866 -5.955 3.736 584 HG23 VAL 68 HG23 VAL 68 6.514 -7.247 2.588 585 H GLN 69 H GLN 69 3.764 -9.372 4.496 586 HA GLN 69 HA GLN 69 3.244 -10.753 2.005 587 HB2 GLN 69 HB2 GLN 69 1.404 -9.897 4.245 588 HB3 GLN 69 HB3 GLN 69 0.898 -10.831 2.844 589 HG2 GLN 69 HG2 GLN 69 1.868 -12.738 3.583 590 HG3 GLN 69 HG3 GLN 69 3.169 -11.887 4.415 591 HE21 GLN 69 HE21 GLN 69 -0.251 -12.702 4.583 592 HE22 GLN 69 HE22 GLN 69 -0.370 -12.636 6.304 593 H VAL 70 H VAL 70 2.896 -9.702 0.174 594 HA VAL 70 HA VAL 70 1.591 -7.061 0.289 595 HB VAL 70 HB VAL 70 3.542 -7.935 -1.839 596 HG11 VAL 70 HG11 VAL 70 2.224 -6.231 -2.723 597 HG12 VAL 70 HG12 VAL 70 2.128 -5.375 -1.183 598 HG13 VAL 70 HG13 VAL 70 3.635 -5.375 -2.102 599 HG21 VAL 70 HG21 VAL 70 4.058 -6.217 0.587 600 HG22 VAL 70 HG22 VAL 70 4.696 -7.837 0.306 601 HG23 VAL 70 HG23 VAL 70 5.193 -6.501 -0.734 602 H TYR 71 H TYR 71 0.163 -6.526 -1.415 603 HA TYR 71 HA TYR 71 -0.595 -8.653 -3.262 604 HB2 TYR 71 HB2 TYR 71 -2.635 -7.324 -1.472 605 HB3 TYR 71 HB3 TYR 71 -2.929 -8.600 -2.648 606 HD1 TYR 71 HD1 TYR 71 -2.336 -7.892 0.753 607 HD2 TYR 71 HD2 TYR 71 -1.596 -10.825 -2.240 608 HE1 TYR 71 HE1 TYR 71 -1.972 -9.580 2.504 609 HE2 TYR 71 HE2 TYR 71 -1.232 -12.521 -0.496 610 HH TYR 71 HH TYR 71 -1.211 -12.952 1.678 611 H ARG 72 H ARG 72 -2.020 -7.915 -4.976 612 HA ARG 72 HA ARG 72 -1.775 -5.013 -5.437 613 HB2 ARG 72 HB2 ARG 72 -1.731 -7.300 -7.412 614 HB3 ARG 72 HB3 ARG 72 -1.822 -5.605 -7.874 615 HG2 ARG 72 HG2 ARG 72 0.408 -5.781 -8.006 616 HG3 ARG 72 HG3 ARG 72 0.338 -5.556 -6.257 617 HD2 ARG 72 HD2 ARG 72 1.755 -7.438 -6.757 618 HD3 ARG 72 HD3 ARG 72 0.279 -8.012 -5.983 619 HE ARG 72 HE ARG 72 -0.106 -8.112 -8.743 620 HH11 ARG 72 HH11 ARG 72 1.867 -9.623 -6.306 621 HH12 ARG 72 HH12 ARG 72 2.020 -11.117 -7.170 622 HH21 ARG 72 HH21 ARG 72 0.088 -10.074 -9.891 623 HH22 ARG 72 HH22 ARG 72 1.009 -11.371 -9.210 624 H VAL 73 H VAL 73 -3.485 -3.962 -6.566 625 HA VAL 73 HA VAL 73 -5.993 -5.423 -6.864 626 HB VAL 73 HB VAL 73 -7.219 -3.581 -5.646 627 HG11 VAL 73 HG11 VAL 73 -6.866 -5.830 -4.706 628 HG12 VAL 73 HG12 VAL 73 -5.361 -5.272 -3.977 629 HG13 VAL 73 HG13 VAL 73 -6.899 -4.581 -3.461 630 HG21 VAL 73 HG21 VAL 73 -4.460 -2.998 -4.570 631 HG22 VAL 73 HG22 VAL 73 -5.404 -1.943 -5.622 632 HG23 VAL 73 HG23 VAL 73 -5.970 -2.294 -3.988 633 H THR 74 H THR 74 -7.484 -4.433 -8.250 634 HA THR 74 HA THR 74 -6.388 -2.183 -9.808 635 HB THR 74 HB THR 74 -7.952 -3.102 -11.643 636 HG1 THR 74 HG1 THR 74 -7.606 -5.532 -10.218 637 HG21 THR 74 HG21 THR 74 -6.155 -4.116 -12.600 638 HG22 THR 74 HG22 THR 74 -5.320 -3.382 -11.231 639 HG23 THR 74 HG23 THR 74 -5.797 -5.079 -11.167 640 H SER 75 H SER 75 -9.151 -3.464 -8.130 641 HA SER 75 HA SER 75 -10.709 -1.072 -8.854 642 HB2 SER 75 HB2 SER 75 -11.415 -3.860 -8.607 643 HB3 SER 75 HB3 SER 75 -12.386 -2.886 -7.502 644 HG SER 75 HG SER 75 -12.216 -2.761 -10.308 645 H ASN 76 H ASN 76 -12.061 -0.142 -7.139 646 HA ASN 76 HA ASN 76 -10.531 0.329 -4.783 647 HB2 ASN 76 HB2 ASN 76 -12.329 1.813 -6.096 648 HB3 ASN 76 HB3 ASN 76 -13.397 1.124 -4.877 649 HD21 ASN 76 HD21 ASN 76 -12.959 1.536 -2.672 650 HD22 ASN 76 HD22 ASN 76 -12.034 2.916 -2.196 651 H ASP 77 H ASP 77 -13.234 -1.723 -5.589 652 HA ASP 77 HA ASP 77 -14.168 -2.282 -3.001 653 HB2 ASP 77 HB2 ASP 77 -14.306 -3.705 -5.633 654 HB3 ASP 77 HB3 ASP 77 -14.843 -4.534 -4.176 655 H GLU 78 H GLU 78 -11.393 -3.412 -4.755 656 HA GLU 78 HA GLU 78 -10.904 -5.702 -3.105 657 HB2 GLU 78 HB2 GLU 78 -8.927 -4.245 -4.863 658 HB3 GLU 78 HB3 GLU 78 -8.824 -5.906 -4.296 659 HG2 GLU 78 HG2 GLU 78 -10.813 -4.788 -6.255 660 HG3 GLU 78 HG3 GLU 78 -9.478 -5.883 -6.604 661 H VAL 79 H VAL 79 -10.019 -2.329 -3.041 662 HA VAL 79 HA VAL 79 -7.891 -2.560 -1.166 663 HB VAL 79 HB VAL 79 -9.629 -0.174 -1.813 664 HG11 VAL 79 HG11 VAL 79 -8.574 0.169 0.311 665 HG12 VAL 79 HG12 VAL 79 -7.022 -0.388 -0.314 666 HG13 VAL 79 HG13 VAL 79 -7.714 1.128 -0.893 667 HG21 VAL 79 HG21 VAL 79 -8.470 0.040 -3.696 668 HG22 VAL 79 HG22 VAL 79 -6.949 -0.020 -2.807 669 HG23 VAL 79 HG23 VAL 79 -7.701 -1.513 -3.368 670 H GLU 80 H GLU 80 -11.293 -1.556 -0.828 671 HA GLU 80 HA GLU 80 -11.192 -1.280 1.989 672 HB2 GLU 80 HB2 GLU 80 -13.646 -1.212 1.869 673 HB3 GLU 80 HB3 GLU 80 -12.907 -0.170 0.662 674 HG2 GLU 80 HG2 GLU 80 -13.185 -2.410 -0.785 675 HG3 GLU 80 HG3 GLU 80 -14.538 -2.599 0.330 676 H GLN 81 H GLN 81 -11.820 -3.973 -0.144 677 HA GLN 81 HA GLN 81 -12.986 -5.702 1.772 678 HB2 GLN 81 HB2 GLN 81 -13.282 -6.182 -0.557 679 HB3 GLN 81 HB3 GLN 81 -11.545 -6.245 -0.823 680 HG2 GLN 81 HG2 GLN 81 -11.352 -8.277 0.401 681 HG3 GLN 81 HG3 GLN 81 -13.021 -8.165 0.955 682 HE21 GLN 81 HE21 GLN 81 -13.842 -9.983 0.091 683 HE22 GLN 81 HE22 GLN 81 -13.905 -10.320 -1.602 684 H VAL 82 H VAL 82 -9.667 -5.483 0.498 685 HA VAL 82 HA VAL 82 -8.520 -7.493 2.038 686 HB VAL 82 HB VAL 82 -7.269 -4.933 1.036 687 HG11 VAL 82 HG11 VAL 82 -5.294 -6.871 1.245 688 HG12 VAL 82 HG12 VAL 82 -5.507 -5.466 2.290 689 HG13 VAL 82 HG13 VAL 82 -6.212 -7.018 2.744 690 HG21 VAL 82 HG21 VAL 82 -6.670 -7.553 -0.187 691 HG22 VAL 82 HG22 VAL 82 -8.294 -6.920 -0.456 692 HG23 VAL 82 HG23 VAL 82 -6.887 -5.971 -0.937 693 H VAL 83 H VAL 83 -8.708 -4.005 2.738 694 HA VAL 83 HA VAL 83 -7.478 -4.174 5.279 695 HB VAL 83 HB VAL 83 -8.421 -1.920 5.675 696 HG11 VAL 83 HG11 VAL 83 -6.806 -1.001 4.423 697 HG12 VAL 83 HG12 VAL 83 -6.468 -2.656 3.916 698 HG13 VAL 83 HG13 VAL 83 -7.488 -1.619 2.918 699 HG21 VAL 83 HG21 VAL 83 -9.576 -0.907 3.595 700 HG22 VAL 83 HG22 VAL 83 -9.946 -2.582 3.184 701 HG23 VAL 83 HG23 VAL 83 -10.529 -1.897 4.701 702 H LYS 84 H LYS 84 -10.840 -4.305 4.218 703 HA LYS 84 HA LYS 84 -12.205 -4.051 6.579 704 HB2 LYS 84 HB2 LYS 84 -12.679 -5.424 4.027 705 HB3 LYS 84 HB3 LYS 84 -13.577 -6.099 5.378 706 HG2 LYS 84 HG2 LYS 84 -14.677 -4.051 5.796 707 HG3 LYS 84 HG3 LYS 84 -13.586 -3.166 4.727 708 HD2 LYS 84 HD2 LYS 84 -14.545 -4.093 2.799 709 HD3 LYS 84 HD3 LYS 84 -15.326 -5.391 3.705 710 HE2 LYS 84 HE2 LYS 84 -16.636 -3.513 4.868 711 HE3 LYS 84 HE3 LYS 84 -16.074 -2.488 3.549 712 HZ1 LYS 84 HZ1 LYS 84 -17.189 -4.983 2.660 713 HZ2 LYS 84 HZ2 LYS 84 -18.301 -4.023 3.500 714 HZ3 LYS 84 HZ3 LYS 84 -17.513 -3.406 2.137 715 H ASP 85 H ASP 85 -11.307 -7.226 5.218 716 HA ASP 85 HA ASP 85 -11.746 -8.593 7.666 717 HB2 ASP 85 HB2 ASP 85 -10.881 -9.266 4.955 718 HB3 ASP 85 HB3 ASP 85 -10.077 -10.231 6.190 719 H VAL 86 H VAL 86 -8.996 -7.003 6.252 720 HA VAL 86 HA VAL 86 -6.976 -6.422 7.144 721 HB VAL 86 HB VAL 86 -7.807 -7.812 9.688 722 HG11 VAL 86 HG11 VAL 86 -6.235 -6.318 10.751 723 HG12 VAL 86 HG12 VAL 86 -5.425 -7.192 9.451 724 HG13 VAL 86 HG13 VAL 86 -5.913 -5.514 9.215 725 HG21 VAL 86 HG21 VAL 86 -9.533 -6.198 8.975 726 HG22 VAL 86 HG22 VAL 86 -8.711 -5.702 10.455 727 HG23 VAL 86 HG23 VAL 86 -8.300 -4.937 8.920 728 H LYS 87 H LYS 87 -7.638 -9.501 8.811 729 HA LYS 87 HA LYS 87 -5.106 -10.545 7.795 730 HB2 LYS 87 HB2 LYS 87 -6.766 -11.007 10.154 731 HB3 LYS 87 HB3 LYS 87 -6.212 -12.501 9.410 732 HG2 LYS 87 HG2 LYS 87 -3.912 -11.104 9.421 733 HG3 LYS 87 HG3 LYS 87 -4.702 -10.424 10.846 734 HD2 LYS 87 HD2 LYS 87 -4.889 -13.339 10.662 735 HD3 LYS 87 HD3 LYS 87 -3.235 -12.736 10.796 736 HE2 LYS 87 HE2 LYS 87 -5.367 -11.698 12.619 737 HE3 LYS 87 HE3 LYS 87 -4.604 -13.253 12.948 738 HZ1 LYS 87 HZ1 LYS 87 -2.577 -11.428 12.381 739 HZ2 LYS 87 HZ2 LYS 87 -3.621 -10.674 13.479 740 HZ3 LYS 87 HZ3 LYS 87 -2.924 -12.167 13.863 741 H GLY 88 H GLY 88 -5.050 -11.798 6.054 742 HA2 GLY 88 HA2 GLY 88 -6.574 -14.041 5.566 743 HA3 GLY 88 HA3 GLY 88 -7.435 -12.722 4.786 744 H SER 89 H SER 89 -5.965 -15.117 3.728 745 HA SER 89 HA SER 89 -3.659 -14.093 2.369 746 HB2 SER 89 HB2 SER 89 -4.869 -16.650 2.784 747 HB3 SER 89 HB3 SER 89 -4.636 -16.417 1.051 748 HG SER 89 HG SER 89 -2.644 -16.936 1.454 749 H GLY 90 H GLY 90 -6.852 -15.196 1.210 750 HA2 GLY 90 HA2 GLY 90 -7.658 -13.155 -0.329 751 HA3 GLY 90 HA3 GLY 90 -6.414 -13.876 -1.340 752 H LEU 91 H LEU 91 -9.643 -13.803 -0.793 753 HA LEU 91 HA LEU 91 -10.013 -16.529 -1.853 754 HB2 LEU 91 HB2 LEU 91 -11.060 -15.461 0.473 755 HB3 LEU 91 HB3 LEU 91 -12.383 -15.318 -0.682 756 HG LEU 91 HG LEU 91 -12.008 -17.804 -1.149 757 HD11 LEU 91 HD11 LEU 91 -11.003 -18.264 1.526 758 HD12 LEU 91 HD12 LEU 91 -10.489 -18.962 -0.011 759 HD13 LEU 91 HD13 LEU 91 -9.831 -17.414 0.518 760 HD21 LEU 91 HD21 LEU 91 -13.848 -16.704 0.233 761 HD22 LEU 91 HD22 LEU 91 -13.532 -18.414 0.526 762 HD23 LEU 91 HD23 LEU 91 -12.919 -17.200 1.648 763 H GLU 92 H GLU 92 -11.244 -16.794 -3.656 764 HA GLU 92 HA GLU 92 -12.276 -14.334 -4.910 765 HB2 GLU 92 HB2 GLU 92 -11.334 -16.839 -6.314 766 HB3 GLU 92 HB3 GLU 92 -11.810 -15.324 -7.068 767 HG2 GLU 92 HG2 GLU 92 -9.775 -14.701 -5.231 768 HG3 GLU 92 HG3 GLU 92 -9.250 -16.137 -6.106 769 H HIS 93 H HIS 93 -12.753 -17.866 -5.138 770 HA HIS 93 HA HIS 93 -14.629 -19.128 -5.413 771 HB2 HIS 93 HB2 HIS 93 -14.978 -18.049 -3.110 772 HB3 HIS 93 HB3 HIS 93 -16.117 -16.976 -3.919 773 HD1 HIS 93 HD1 HIS 93 -15.581 -20.698 -3.381 774 HD2 HIS 93 HD2 HIS 93 -18.634 -17.976 -4.106 775 HE1 HIS 93 HE1 HIS 93 -17.713 -22.022 -3.225 776 H HIS 94 H HIS 94 -14.262 -18.133 -7.710 777 HA HIS 94 HA HIS 94 -16.895 -17.350 -8.658 778 HB2 HIS 94 HB2 HIS 94 -15.467 -15.254 -8.192 779 HB3 HIS 94 HB3 HIS 94 -14.523 -15.752 -9.594 780 HD1 HIS 94 HD1 HIS 94 -17.946 -14.526 -8.636 781 HD2 HIS 94 HD2 HIS 94 -15.697 -15.256 -12.052 782 HE1 HIS 94 HE1 HIS 94 -19.257 -13.522 -10.532 783 H HIS 95 H HIS 95 -17.322 -18.855 -10.123 784 HA HIS 95 HA HIS 95 -15.191 -20.128 -11.619 785 HB2 HIS 95 HB2 HIS 95 -18.179 -20.590 -11.575 786 HB3 HIS 95 HB3 HIS 95 -17.046 -21.538 -12.533 787 HD1 HIS 95 HD1 HIS 95 -14.873 -22.237 -10.642 788 HD2 HIS 95 HD2 HIS 95 -18.854 -22.121 -9.462 789 HE1 HIS 95 HE1 HIS 95 -15.011 -23.694 -8.597 790 H HIS 96 H HIS 96 -14.818 -19.958 -13.785 791 HA HIS 96 HA HIS 96 -16.101 -17.697 -15.127 792 HB2 HIS 96 HB2 HIS 96 -13.454 -18.521 -14.971 793 HB3 HIS 96 HB3 HIS 96 -13.945 -19.002 -16.592 794 HD1 HIS 96 HD1 HIS 96 -14.610 -15.855 -14.545 795 HD2 HIS 96 HD2 HIS 96 -13.205 -17.032 -18.273 796 HE1 HIS 96 HE1 HIS 96 -14.128 -13.721 -15.784 797 H HIS 97 H HIS 97 -16.251 -18.022 -17.616 798 HA HIS 97 HA HIS 97 -17.738 -20.518 -18.055 799 HB2 HIS 97 HB2 HIS 97 -18.759 -18.114 -18.331 800 HB3 HIS 97 HB3 HIS 97 -17.936 -18.158 -19.887 801 HD1 HIS 97 HD1 HIS 97 -19.760 -18.540 -21.525 802 HD2 HIS 97 HD2 HIS 97 -20.063 -21.063 -18.240 803 HE1 HIS 97 HE1 HIS 97 -21.656 -20.106 -22.053 804 H HIS 98 H HIS 98 -15.558 -18.264 -19.739 805 HA HIS 98 HA HIS 98 -14.863 -20.391 -21.628 806 HB2 HIS 98 HB2 HIS 98 -13.799 -18.621 -22.948 807 HB3 HIS 98 HB3 HIS 98 -15.472 -18.212 -22.582 808 HD1 HIS 98 HD1 HIS 98 -11.955 -17.185 -21.850 809 HD2 HIS 98 HD2 HIS 98 -15.823 -15.990 -20.915 810 HE1 HIS 98 HE1 HIS 98 -11.721 -14.913 -20.798 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -5.416 -8.473 12.090 2 HA2 GLY 1 HA2 GLY 1 -2.823 -7.639 12.403 3 HA3 GLY 1 HA3 GLY 1 -3.479 -8.210 10.875 4 H ARG 2 H ARG 2 -1.495 -6.430 10.719 5 HA ARG 2 HA ARG 2 -2.650 -3.764 10.455 6 HB2 ARG 2 HB2 ARG 2 0.175 -4.796 10.194 7 HB3 ARG 2 HB3 ARG 2 -0.279 -3.128 9.869 8 HG2 ARG 2 HG2 ARG 2 -1.009 -4.335 12.491 9 HG3 ARG 2 HG3 ARG 2 0.660 -3.837 12.204 10 HD2 ARG 2 HD2 ARG 2 -0.531 -1.639 11.339 11 HD3 ARG 2 HD3 ARG 2 -1.812 -2.197 12.414 12 HE ARG 2 HE ARG 2 0.398 -2.340 13.965 13 HH11 ARG 2 HH11 ARG 2 -0.986 0.179 12.000 14 HH12 ARG 2 HH12 ARG 2 -0.386 1.463 12.996 15 HH21 ARG 2 HH21 ARG 2 1.193 -0.657 15.282 16 HH22 ARG 2 HH22 ARG 2 0.854 0.988 14.862 17 H VAL 3 H VAL 3 -2.641 -2.593 8.509 18 HA VAL 3 HA VAL 3 -1.915 -3.946 6.046 19 HB VAL 3 HB VAL 3 -4.197 -4.751 6.421 20 HG11 VAL 3 HG11 VAL 3 -4.864 -2.710 7.770 21 HG12 VAL 3 HG12 VAL 3 -5.131 -1.900 6.227 22 HG13 VAL 3 HG13 VAL 3 -6.068 -3.333 6.645 23 HG21 VAL 3 HG21 VAL 3 -4.935 -4.416 4.259 24 HG22 VAL 3 HG22 VAL 3 -4.446 -2.722 4.243 25 HG23 VAL 3 HG23 VAL 3 -3.229 -3.992 4.122 26 H VAL 4 H VAL 4 -1.687 -2.555 4.280 27 HA VAL 4 HA VAL 4 -2.107 0.307 4.807 28 HB VAL 4 HB VAL 4 0.407 -0.899 3.642 29 HG11 VAL 4 HG11 VAL 4 -0.739 1.786 3.515 30 HG12 VAL 4 HG12 VAL 4 0.918 1.748 4.117 31 HG13 VAL 4 HG13 VAL 4 0.536 1.048 2.544 32 HG21 VAL 4 HG21 VAL 4 1.527 -0.112 5.603 33 HG22 VAL 4 HG22 VAL 4 0.068 0.695 6.177 34 HG23 VAL 4 HG23 VAL 4 0.137 -1.067 6.121 35 H VAL 5 H VAL 5 -2.746 1.516 3.077 36 HA VAL 5 HA VAL 5 -3.242 0.039 0.578 37 HB VAL 5 HB VAL 5 -4.638 2.549 1.508 38 HG11 VAL 5 HG11 VAL 5 -4.489 1.548 -0.999 39 HG12 VAL 5 HG12 VAL 5 -5.912 0.699 -0.393 40 HG13 VAL 5 HG13 VAL 5 -5.864 2.463 -0.379 41 HG21 VAL 5 HG21 VAL 5 -5.269 0.950 3.100 42 HG22 VAL 5 HG22 VAL 5 -6.564 0.910 1.902 43 HG23 VAL 5 HG23 VAL 5 -5.326 -0.346 1.906 44 H VAL 6 H VAL 6 -2.269 0.670 -1.238 45 HA VAL 6 HA VAL 6 -1.108 3.373 -1.354 46 HB VAL 6 HB VAL 6 0.241 0.845 -2.313 47 HG11 VAL 6 HG11 VAL 6 2.148 2.731 -2.422 48 HG12 VAL 6 HG12 VAL 6 1.118 2.314 -3.792 49 HG13 VAL 6 HG13 VAL 6 0.732 3.716 -2.793 50 HG21 VAL 6 HG21 VAL 6 1.008 0.682 -0.231 51 HG22 VAL 6 HG22 VAL 6 1.878 2.191 -0.502 52 HG23 VAL 6 HG23 VAL 6 0.270 2.218 0.222 53 H VAL 7 H VAL 7 -1.080 4.356 -3.371 54 HA VAL 7 HA VAL 7 -2.300 2.893 -5.603 55 HB VAL 7 HB VAL 7 -3.574 5.043 -6.141 56 HG11 VAL 7 HG11 VAL 7 -4.190 2.937 -4.204 57 HG12 VAL 7 HG12 VAL 7 -5.198 4.376 -4.054 58 HG13 VAL 7 HG13 VAL 7 -5.117 3.512 -5.589 59 HG21 VAL 7 HG21 VAL 7 -3.363 5.567 -3.195 60 HG22 VAL 7 HG22 VAL 7 -2.250 6.311 -4.343 61 HG23 VAL 7 HG23 VAL 7 -3.982 6.621 -4.466 62 H THR 8 H THR 8 -2.283 4.481 -7.610 63 HA THR 8 HA THR 8 0.501 5.311 -7.897 64 HB THR 8 HB THR 8 -1.084 5.614 -10.299 65 HG1 THR 8 HG1 THR 8 -1.296 3.167 -10.402 66 HG21 THR 8 HG21 THR 8 0.681 4.461 -11.288 67 HG22 THR 8 HG22 THR 8 1.452 5.246 -9.910 68 HG23 THR 8 HG23 THR 8 1.025 3.536 -9.826 69 H SER 9 H SER 9 -2.598 6.669 -7.459 70 HA SER 9 HA SER 9 -1.559 9.325 -8.205 71 HB2 SER 9 HB2 SER 9 -4.454 9.217 -8.105 72 HB3 SER 9 HB3 SER 9 -3.401 9.742 -9.418 73 HG SER 9 HG SER 9 -3.491 7.797 -10.294 74 H GLU 10 H GLU 10 -2.046 11.059 -6.844 75 HA GLU 10 HA GLU 10 -2.240 10.416 -4.083 76 HB2 GLU 10 HB2 GLU 10 -2.271 12.884 -3.758 77 HB3 GLU 10 HB3 GLU 10 -0.938 12.322 -4.756 78 HG2 GLU 10 HG2 GLU 10 -2.905 12.856 -6.597 79 HG3 GLU 10 HG3 GLU 10 -3.121 14.129 -5.397 80 H GLN 11 H GLN 11 -4.530 11.399 -6.512 81 HA GLN 11 HA GLN 11 -6.595 12.350 -4.882 82 HB2 GLN 11 HB2 GLN 11 -6.234 11.970 -7.585 83 HB3 GLN 11 HB3 GLN 11 -7.498 10.811 -7.203 84 HG2 GLN 11 HG2 GLN 11 -8.021 13.355 -5.957 85 HG3 GLN 11 HG3 GLN 11 -7.795 13.529 -7.696 86 HE21 GLN 11 HE21 GLN 11 -9.464 13.108 -8.966 87 HE22 GLN 11 HE22 GLN 11 -10.905 12.282 -8.497 88 H VAL 12 H VAL 12 -6.070 9.072 -6.176 89 HA VAL 12 HA VAL 12 -8.263 7.856 -4.936 90 HB VAL 12 HB VAL 12 -5.616 6.549 -5.577 91 HG11 VAL 12 HG11 VAL 12 -7.136 5.227 -4.153 92 HG12 VAL 12 HG12 VAL 12 -8.385 5.369 -5.389 93 HG13 VAL 12 HG13 VAL 12 -6.893 4.500 -5.741 94 HG21 VAL 12 HG21 VAL 12 -7.263 5.906 -7.633 95 HG22 VAL 12 HG22 VAL 12 -7.778 7.558 -7.291 96 HG23 VAL 12 HG23 VAL 12 -6.089 7.222 -7.672 97 H LYS 13 H LYS 13 -4.922 8.267 -3.828 98 HA LYS 13 HA LYS 13 -5.067 6.757 -1.489 99 HB2 LYS 13 HB2 LYS 13 -2.930 7.491 -2.214 100 HB3 LYS 13 HB3 LYS 13 -3.430 9.177 -2.227 101 HG2 LYS 13 HG2 LYS 13 -3.719 7.999 0.399 102 HG3 LYS 13 HG3 LYS 13 -2.067 7.862 -0.208 103 HD2 LYS 13 HD2 LYS 13 -1.696 10.062 -0.003 104 HD3 LYS 13 HD3 LYS 13 -3.267 10.479 -0.692 105 HE2 LYS 13 HE2 LYS 13 -4.118 10.872 1.327 106 HE3 LYS 13 HE3 LYS 13 -3.581 9.301 1.917 107 HZ1 LYS 13 HZ1 LYS 13 -2.424 10.731 3.263 108 HZ2 LYS 13 HZ2 LYS 13 -1.291 10.485 2.030 109 HZ3 LYS 13 HZ3 LYS 13 -2.217 11.900 2.057 110 H GLU 14 H GLU 14 -5.814 10.183 -2.031 111 HA GLU 14 HA GLU 14 -6.342 10.925 0.595 112 HB2 GLU 14 HB2 GLU 14 -6.956 11.962 -2.070 113 HB3 GLU 14 HB3 GLU 14 -8.175 12.376 -0.872 114 HG2 GLU 14 HG2 GLU 14 -6.730 13.657 0.363 115 HG3 GLU 14 HG3 GLU 14 -5.303 12.798 -0.214 116 H GLU 15 H GLU 15 -8.546 9.574 -1.841 117 HA GLU 15 HA GLU 15 -10.872 9.641 -0.269 118 HB2 GLU 15 HB2 GLU 15 -10.209 7.643 -2.435 119 HB3 GLU 15 HB3 GLU 15 -11.812 8.087 -1.867 120 HG2 GLU 15 HG2 GLU 15 -9.945 10.086 -3.097 121 HG3 GLU 15 HG3 GLU 15 -11.033 9.090 -4.062 122 H VAL 16 H VAL 16 -8.249 7.331 -0.477 123 HA VAL 16 HA VAL 16 -9.576 5.294 1.047 124 HB VAL 16 HB VAL 16 -6.620 5.600 0.500 125 HG11 VAL 16 HG11 VAL 16 -6.305 3.650 1.539 126 HG12 VAL 16 HG12 VAL 16 -7.919 3.871 2.215 127 HG13 VAL 16 HG13 VAL 16 -7.700 2.914 0.750 128 HG21 VAL 16 HG21 VAL 16 -8.808 4.959 -1.260 129 HG22 VAL 16 HG22 VAL 16 -7.098 5.180 -1.632 130 HG23 VAL 16 HG23 VAL 16 -7.694 3.599 -1.127 131 H ARG 17 H ARG 17 -7.201 7.823 1.731 132 HA ARG 17 HA ARG 17 -6.663 7.081 4.397 133 HB2 ARG 17 HB2 ARG 17 -5.282 8.648 3.025 134 HB3 ARG 17 HB3 ARG 17 -6.547 9.856 3.206 135 HG2 ARG 17 HG2 ARG 17 -5.376 8.620 5.648 136 HG3 ARG 17 HG3 ARG 17 -4.457 9.849 4.777 137 HD2 ARG 17 HD2 ARG 17 -7.022 10.893 4.941 138 HD3 ARG 17 HD3 ARG 17 -6.761 10.134 6.511 139 HE ARG 17 HE ARG 17 -5.490 12.496 5.502 140 HH11 ARG 17 HH11 ARG 17 -5.152 9.792 7.668 141 HH12 ARG 17 HH12 ARG 17 -4.029 10.601 8.710 142 HH21 ARG 17 HH21 ARG 17 -4.012 13.571 6.866 143 HH22 ARG 17 HH22 ARG 17 -3.382 12.750 8.254 144 H LYS 18 H LYS 18 -9.200 8.996 2.932 145 HA LYS 18 HA LYS 18 -10.192 10.001 5.443 146 HB2 LYS 18 HB2 LYS 18 -12.000 10.956 4.119 147 HB3 LYS 18 HB3 LYS 18 -10.449 11.289 3.361 148 HG2 LYS 18 HG2 LYS 18 -10.818 9.588 1.715 149 HG3 LYS 18 HG3 LYS 18 -12.287 9.053 2.535 150 HD2 LYS 18 HD2 LYS 18 -11.975 11.862 1.516 151 HD3 LYS 18 HD3 LYS 18 -12.555 10.556 0.480 152 HE2 LYS 18 HE2 LYS 18 -14.217 10.125 2.446 153 HE3 LYS 18 HE3 LYS 18 -13.834 11.788 2.885 154 HZ1 LYS 18 HZ1 LYS 18 -15.074 10.805 0.383 155 HZ2 LYS 18 HZ2 LYS 18 -15.713 11.897 1.506 156 HZ3 LYS 18 HZ3 LYS 18 -14.421 12.360 0.516 157 H LYS 19 H LYS 19 -10.880 7.329 3.290 158 HA LYS 19 HA LYS 19 -13.357 6.592 4.496 159 HB2 LYS 19 HB2 LYS 19 -12.333 5.958 2.162 160 HB3 LYS 19 HB3 LYS 19 -11.615 4.625 3.057 161 HG2 LYS 19 HG2 LYS 19 -13.550 3.519 3.193 162 HG3 LYS 19 HG3 LYS 19 -14.471 4.979 3.564 163 HD2 LYS 19 HD2 LYS 19 -15.312 4.324 1.495 164 HD3 LYS 19 HD3 LYS 19 -14.126 5.562 1.076 165 HE2 LYS 19 HE2 LYS 19 -12.542 3.945 0.392 166 HE3 LYS 19 HE3 LYS 19 -13.459 2.630 1.125 167 HZ1 LYS 19 HZ1 LYS 19 -13.977 2.425 -1.092 168 HZ2 LYS 19 HZ2 LYS 19 -15.273 3.362 -0.539 169 HZ3 LYS 19 HZ3 LYS 19 -13.994 4.094 -1.371 170 H PHE 20 H PHE 20 -10.012 5.463 4.837 171 HA PHE 20 HA PHE 20 -10.769 4.266 7.412 172 HB2 PHE 20 HB2 PHE 20 -8.790 2.972 5.537 173 HB3 PHE 20 HB3 PHE 20 -9.498 2.295 7.001 174 HD1 PHE 20 HD1 PHE 20 -9.685 2.421 3.488 175 HD2 PHE 20 HD2 PHE 20 -12.089 2.019 6.979 176 HE1 PHE 20 HE1 PHE 20 -11.462 1.380 2.140 177 HE2 PHE 20 HE2 PHE 20 -13.868 0.976 5.637 178 HZ PHE 20 HZ PHE 20 -13.556 0.655 3.214 179 HA PRO 21 HA PRO 21 -7.197 7.163 7.895 180 HB2 PRO 21 HB2 PRO 21 -8.117 8.261 10.200 181 HB3 PRO 21 HB3 PRO 21 -8.599 8.840 8.601 182 HG2 PRO 21 HG2 PRO 21 -10.054 7.012 10.474 183 HG3 PRO 21 HG3 PRO 21 -10.686 8.356 9.506 184 HD2 PRO 21 HD2 PRO 21 -10.953 5.768 8.756 185 HD3 PRO 21 HD3 PRO 21 -10.785 7.090 7.583 186 H GLN 22 H GLN 22 -8.741 4.792 9.918 187 HA GLN 22 HA GLN 22 -6.872 4.754 12.035 188 HB2 GLN 22 HB2 GLN 22 -8.882 2.784 10.991 189 HB3 GLN 22 HB3 GLN 22 -7.768 2.326 12.272 190 HG2 GLN 22 HG2 GLN 22 -8.991 4.853 12.873 191 HG3 GLN 22 HG3 GLN 22 -10.220 3.638 12.524 192 HE21 GLN 22 HE21 GLN 22 -9.360 4.990 15.037 193 HE22 GLN 22 HE22 GLN 22 -9.037 3.704 16.144 194 H VAL 23 H VAL 23 -6.874 3.365 8.847 195 HA VAL 23 HA VAL 23 -4.513 1.745 9.452 196 HB VAL 23 HB VAL 23 -4.792 0.946 7.076 197 HG11 VAL 23 HG11 VAL 23 -7.332 0.117 8.031 198 HG12 VAL 23 HG12 VAL 23 -5.799 -0.754 8.086 199 HG13 VAL 23 HG13 VAL 23 -6.260 0.303 9.419 200 HG21 VAL 23 HG21 VAL 23 -6.872 1.380 5.933 201 HG22 VAL 23 HG22 VAL 23 -7.444 2.370 7.275 202 HG23 VAL 23 HG23 VAL 23 -6.081 2.914 6.297 203 H GLU 24 H GLU 24 -2.633 1.856 8.067 204 HA GLU 24 HA GLU 24 -1.876 4.576 7.526 205 HB2 GLU 24 HB2 GLU 24 -0.533 2.170 8.124 206 HB3 GLU 24 HB3 GLU 24 0.025 2.660 6.530 207 HG2 GLU 24 HG2 GLU 24 -0.057 4.658 8.741 208 HG3 GLU 24 HG3 GLU 24 1.255 3.485 8.666 209 H VAL 25 H VAL 25 -1.672 5.581 5.602 210 HA VAL 25 HA VAL 25 -2.079 4.001 3.155 211 HB VAL 25 HB VAL 25 -4.217 5.041 3.671 212 HG11 VAL 25 HG11 VAL 25 -2.682 7.119 4.683 213 HG12 VAL 25 HG12 VAL 25 -3.459 7.804 3.255 214 HG13 VAL 25 HG13 VAL 25 -4.439 7.084 4.532 215 HG21 VAL 25 HG21 VAL 25 -3.609 4.842 1.332 216 HG22 VAL 25 HG22 VAL 25 -4.530 6.324 1.591 217 HG23 VAL 25 HG23 VAL 25 -2.779 6.396 1.391 218 H ARG 26 H ARG 26 -0.553 4.360 1.688 219 HA ARG 26 HA ARG 26 0.729 6.989 1.552 220 HB2 ARG 26 HB2 ARG 26 2.046 4.392 2.166 221 HB3 ARG 26 HB3 ARG 26 2.897 5.502 1.101 222 HG2 ARG 26 HG2 ARG 26 1.818 6.436 3.729 223 HG3 ARG 26 HG3 ARG 26 3.365 5.593 3.628 224 HD2 ARG 26 HD2 ARG 26 4.351 7.490 3.033 225 HD3 ARG 26 HD3 ARG 26 3.330 7.566 1.598 226 HE ARG 26 HE ARG 26 2.160 9.244 2.598 227 HH11 ARG 26 HH11 ARG 26 3.807 7.423 5.066 228 HH12 ARG 26 HH12 ARG 26 3.330 8.483 6.350 229 HH21 ARG 26 HH21 ARG 26 1.525 10.647 4.281 230 HH22 ARG 26 HH22 ARG 26 2.030 10.316 5.903 231 H VAL 27 H VAL 27 0.843 7.705 -0.473 232 HA VAL 27 HA VAL 27 0.213 5.872 -2.651 233 HB VAL 27 HB VAL 27 -1.058 7.913 -2.633 234 HG11 VAL 27 HG11 VAL 27 0.751 9.945 -3.263 235 HG12 VAL 27 HG12 VAL 27 -0.154 9.748 -1.762 236 HG13 VAL 27 HG13 VAL 27 1.473 9.082 -1.906 237 HG21 VAL 27 HG21 VAL 27 -1.007 8.011 -4.856 238 HG22 VAL 27 HG22 VAL 27 0.585 8.770 -4.843 239 HG23 VAL 27 HG23 VAL 27 0.446 7.012 -4.803 240 H VAL 28 H VAL 28 1.620 5.229 -4.171 241 HA VAL 28 HA VAL 28 4.279 6.499 -4.224 242 HB VAL 28 HB VAL 28 5.332 4.364 -4.583 243 HG11 VAL 28 HG11 VAL 28 4.796 3.233 -2.424 244 HG12 VAL 28 HG12 VAL 28 5.094 4.965 -2.280 245 HG13 VAL 28 HG13 VAL 28 3.442 4.350 -2.236 246 HG21 VAL 28 HG21 VAL 28 2.538 3.446 -4.913 247 HG22 VAL 28 HG22 VAL 28 4.004 2.946 -5.756 248 HG23 VAL 28 HG23 VAL 28 3.662 2.327 -4.141 249 H THR 29 H THR 29 5.112 6.957 -6.190 250 HA THR 29 HA THR 29 3.635 6.003 -8.556 251 HB THR 29 HB THR 29 3.914 8.138 -9.638 252 HG1 THR 29 HG1 THR 29 5.538 9.324 -8.993 253 HG21 THR 29 HG21 THR 29 2.193 7.692 -7.583 254 HG22 THR 29 HG22 THR 29 2.990 9.169 -7.042 255 HG23 THR 29 HG23 THR 29 2.172 9.130 -8.603 256 H THR 30 H THR 30 6.699 6.940 -7.146 257 HA THR 30 HA THR 30 8.075 5.788 -9.485 258 HB THR 30 HB THR 30 9.911 7.350 -7.990 259 HG1 THR 30 HG1 THR 30 7.595 8.836 -8.730 260 HG21 THR 30 HG21 THR 30 8.616 8.073 -10.615 261 HG22 THR 30 HG22 THR 30 10.236 8.488 -10.054 262 HG23 THR 30 HG23 THR 30 9.845 6.817 -10.459 263 H GLU 31 H GLU 31 10.363 5.026 -8.863 264 HA GLU 31 HA GLU 31 10.103 2.941 -6.976 265 HB2 GLU 31 HB2 GLU 31 12.705 4.009 -8.066 266 HB3 GLU 31 HB3 GLU 31 12.365 2.380 -7.498 267 HG2 GLU 31 HG2 GLU 31 10.528 2.663 -9.486 268 HG3 GLU 31 HG3 GLU 31 11.882 3.608 -10.107 269 H GLU 32 H GLU 32 11.719 6.084 -6.861 270 HA GLU 32 HA GLU 32 12.966 5.731 -4.355 271 HB2 GLU 32 HB2 GLU 32 12.376 8.006 -6.152 272 HB3 GLU 32 HB3 GLU 32 12.627 8.410 -4.459 273 HG2 GLU 32 HG2 GLU 32 14.809 7.464 -4.474 274 HG3 GLU 32 HG3 GLU 32 14.561 6.774 -6.077 275 H ASP 33 H ASP 33 9.806 6.993 -5.290 276 HA ASP 33 HA ASP 33 9.002 7.984 -2.798 277 HB2 ASP 33 HB2 ASP 33 7.788 7.460 -5.355 278 HB3 ASP 33 HB3 ASP 33 6.708 6.937 -4.065 279 H ALA 34 H ALA 34 8.293 4.816 -4.277 280 HA ALA 34 HA ALA 34 6.909 3.680 -2.167 281 HB1 ALA 34 HB1 ALA 34 8.738 1.879 -3.623 282 HB2 ALA 34 HB2 ALA 34 7.001 1.756 -3.346 283 HB3 ALA 34 HB3 ALA 34 7.619 2.821 -4.609 284 H LYS 35 H LYS 35 10.403 3.783 -2.737 285 HA LYS 35 HA LYS 35 11.279 2.120 -0.712 286 HB2 LYS 35 HB2 LYS 35 12.576 3.488 -2.542 287 HB3 LYS 35 HB3 LYS 35 12.737 4.677 -1.257 288 HG2 LYS 35 HG2 LYS 35 14.082 3.314 0.021 289 HG3 LYS 35 HG3 LYS 35 13.486 1.837 -0.737 290 HD2 LYS 35 HD2 LYS 35 14.911 2.006 -2.503 291 HD3 LYS 35 HD3 LYS 35 14.903 3.771 -2.479 292 HE2 LYS 35 HE2 LYS 35 16.747 3.844 -1.231 293 HE3 LYS 35 HE3 LYS 35 16.094 2.679 -0.079 294 HZ1 LYS 35 HZ1 LYS 35 16.721 0.921 -1.725 295 HZ2 LYS 35 HZ2 LYS 35 17.559 2.108 -2.591 296 HZ3 LYS 35 HZ3 LYS 35 18.027 1.726 -1.010 297 H GLN 36 H GLN 36 10.827 5.654 -0.517 298 HA GLN 36 HA GLN 36 11.394 5.915 2.204 299 HB2 GLN 36 HB2 GLN 36 9.526 7.579 0.504 300 HB3 GLN 36 HB3 GLN 36 10.170 8.053 2.071 301 HG2 GLN 36 HG2 GLN 36 12.400 7.376 0.544 302 HG3 GLN 36 HG3 GLN 36 11.346 8.279 -0.544 303 HE21 GLN 36 HE21 GLN 36 11.483 10.404 -0.477 304 HE22 GLN 36 HE22 GLN 36 12.159 11.339 0.808 305 H VAL 37 H VAL 37 8.466 4.956 0.554 306 HA VAL 37 HA VAL 37 6.723 5.224 2.791 307 HB VAL 37 HB VAL 37 6.434 3.531 0.305 308 HG11 VAL 37 HG11 VAL 37 4.487 4.219 2.494 309 HG12 VAL 37 HG12 VAL 37 3.983 3.649 0.903 310 HG13 VAL 37 HG13 VAL 37 4.977 2.619 1.934 311 HG21 VAL 37 HG21 VAL 37 6.201 5.525 -0.681 312 HG22 VAL 37 HG22 VAL 37 4.648 5.612 0.149 313 HG23 VAL 37 HG23 VAL 37 6.073 6.370 0.862 314 H VAL 38 H VAL 38 8.335 2.422 1.300 315 HA VAL 38 HA VAL 38 7.406 0.414 2.938 316 HB VAL 38 HB VAL 38 10.210 0.666 1.842 317 HG11 VAL 38 HG11 VAL 38 8.661 -1.754 2.760 318 HG12 VAL 38 HG12 VAL 38 10.234 -1.790 1.964 319 HG13 VAL 38 HG13 VAL 38 10.068 -1.047 3.555 320 HG21 VAL 38 HG21 VAL 38 8.526 -1.128 0.387 321 HG22 VAL 38 HG22 VAL 38 7.742 0.448 0.499 322 HG23 VAL 38 HG23 VAL 38 9.363 0.317 -0.182 323 H LYS 39 H LYS 39 10.129 2.609 3.505 324 HA LYS 39 HA LYS 39 10.918 1.423 5.967 325 HB2 LYS 39 HB2 LYS 39 12.123 3.139 4.305 326 HB3 LYS 39 HB3 LYS 39 11.477 4.299 5.456 327 HG2 LYS 39 HG2 LYS 39 12.610 3.091 7.276 328 HG3 LYS 39 HG3 LYS 39 13.301 1.987 6.085 329 HD2 LYS 39 HD2 LYS 39 14.190 4.147 4.963 330 HD3 LYS 39 HD3 LYS 39 13.874 4.895 6.531 331 HE2 LYS 39 HE2 LYS 39 15.495 3.660 7.596 332 HE3 LYS 39 HE3 LYS 39 15.405 2.338 6.433 333 HZ1 LYS 39 HZ1 LYS 39 16.371 4.030 4.801 334 HZ2 LYS 39 HZ2 LYS 39 16.794 4.929 6.171 335 HZ3 LYS 39 HZ3 LYS 39 17.412 3.369 5.960 336 H GLU 40 H GLU 40 8.825 4.141 5.113 337 HA GLU 40 HA GLU 40 8.391 5.155 7.680 338 HB2 GLU 40 HB2 GLU 40 7.482 5.733 5.127 339 HB3 GLU 40 HB3 GLU 40 6.022 5.255 5.980 340 HG2 GLU 40 HG2 GLU 40 6.034 7.074 7.310 341 HG3 GLU 40 HG3 GLU 40 7.794 7.139 7.393 342 H VAL 41 H VAL 41 6.536 2.729 5.856 343 HA VAL 41 HA VAL 41 4.669 2.230 7.938 344 HB VAL 41 HB VAL 41 4.048 0.223 6.646 345 HG11 VAL 41 HG11 VAL 41 3.647 1.522 4.419 346 HG12 VAL 41 HG12 VAL 41 2.871 2.062 5.907 347 HG13 VAL 41 HG13 VAL 41 4.315 2.884 5.317 348 HG21 VAL 41 HG21 VAL 41 6.220 -0.481 5.869 349 HG22 VAL 41 HG22 VAL 41 5.176 -0.191 4.478 350 HG23 VAL 41 HG23 VAL 41 6.401 0.996 4.923 351 H GLN 42 H GLN 42 7.757 0.818 7.039 352 HA GLN 42 HA GLN 42 7.688 -1.512 8.555 353 HB2 GLN 42 HB2 GLN 42 9.670 0.038 7.168 354 HB3 GLN 42 HB3 GLN 42 10.322 -0.506 8.709 355 HG2 GLN 42 HG2 GLN 42 8.886 -2.561 7.191 356 HG3 GLN 42 HG3 GLN 42 10.348 -1.949 6.419 357 HE21 GLN 42 HE21 GLN 42 9.195 -4.264 8.412 358 HE22 GLN 42 HE22 GLN 42 10.634 -4.653 9.284 359 H LYS 43 H LYS 43 8.532 1.784 9.493 360 HA LYS 43 HA LYS 43 9.273 1.045 12.169 361 HB2 LYS 43 HB2 LYS 43 9.691 3.259 10.560 362 HB3 LYS 43 HB3 LYS 43 8.559 3.847 11.772 363 HG2 LYS 43 HG2 LYS 43 10.060 3.157 13.547 364 HG3 LYS 43 HG3 LYS 43 11.183 2.489 12.360 365 HD2 LYS 43 HD2 LYS 43 11.518 4.713 11.413 366 HD3 LYS 43 HD3 LYS 43 10.370 5.389 12.570 367 HE2 LYS 43 HE2 LYS 43 12.688 3.830 13.601 368 HE3 LYS 43 HE3 LYS 43 12.973 5.464 13.002 369 HZ1 LYS 43 HZ1 LYS 43 10.961 4.768 15.072 370 HZ2 LYS 43 HZ2 LYS 43 12.510 5.362 15.408 371 HZ3 LYS 43 HZ3 LYS 43 11.400 6.322 14.567 372 H LYS 44 H LYS 44 6.403 2.286 10.570 373 HA LYS 44 HA LYS 44 4.949 2.919 12.918 374 HB2 LYS 44 HB2 LYS 44 4.417 2.739 10.040 375 HB3 LYS 44 HB3 LYS 44 3.030 2.325 11.039 376 HG2 LYS 44 HG2 LYS 44 4.529 4.790 11.720 377 HG3 LYS 44 HG3 LYS 44 3.523 4.806 10.270 378 HD2 LYS 44 HD2 LYS 44 1.566 4.361 11.494 379 HD3 LYS 44 HD3 LYS 44 2.474 3.848 12.919 380 HE2 LYS 44 HE2 LYS 44 2.506 6.655 11.823 381 HE3 LYS 44 HE3 LYS 44 1.415 6.113 13.097 382 HZ1 LYS 44 HZ1 LYS 44 4.141 6.888 13.283 383 HZ2 LYS 44 HZ2 LYS 44 3.023 6.605 14.521 384 HZ3 LYS 44 HZ3 LYS 44 3.929 5.323 13.891 385 H GLY 45 H GLY 45 5.227 0.002 10.949 386 HA2 GLY 45 HA2 GLY 45 5.082 -2.136 12.116 387 HA3 GLY 45 HA3 GLY 45 3.782 -1.448 13.078 388 H VAL 46 H VAL 46 4.614 -2.149 9.687 389 HA VAL 46 HA VAL 46 1.769 -2.588 9.128 390 HB VAL 46 HB VAL 46 2.876 -1.100 7.572 391 HG11 VAL 46 HG11 VAL 46 4.847 -3.348 7.325 392 HG12 VAL 46 HG12 VAL 46 4.665 -2.138 6.055 393 HG13 VAL 46 HG13 VAL 46 5.145 -1.646 7.679 394 HG21 VAL 46 HG21 VAL 46 2.483 -3.738 6.174 395 HG22 VAL 46 HG22 VAL 46 1.150 -2.755 6.779 396 HG23 VAL 46 HG23 VAL 46 2.218 -2.117 5.530 397 H GLN 47 H GLN 47 0.989 -4.512 8.300 398 HA GLN 47 HA GLN 47 2.817 -6.808 8.532 399 HB2 GLN 47 HB2 GLN 47 0.906 -6.669 10.170 400 HB3 GLN 47 HB3 GLN 47 -0.189 -6.861 8.807 401 HG2 GLN 47 HG2 GLN 47 0.488 -9.051 8.411 402 HG3 GLN 47 HG3 GLN 47 1.976 -8.856 9.335 403 HE21 GLN 47 HE21 GLN 47 0.687 -11.014 9.955 404 HE22 GLN 47 HE22 GLN 47 -0.197 -10.870 11.432 405 H LYS 48 H LYS 48 0.385 -5.239 6.573 406 HA LYS 48 HA LYS 48 1.193 -6.893 4.306 407 HB2 LYS 48 HB2 LYS 48 -1.570 -6.713 5.436 408 HB3 LYS 48 HB3 LYS 48 -1.370 -6.864 3.695 409 HG2 LYS 48 HG2 LYS 48 -0.789 -9.021 3.825 410 HG3 LYS 48 HG3 LYS 48 0.207 -8.770 5.259 411 HD2 LYS 48 HD2 LYS 48 -1.514 -9.181 6.694 412 HD3 LYS 48 HD3 LYS 48 -2.733 -8.545 5.587 413 HE2 LYS 48 HE2 LYS 48 -3.261 -10.659 5.129 414 HE3 LYS 48 HE3 LYS 48 -1.718 -10.774 4.283 415 HZ1 LYS 48 HZ1 LYS 48 -2.062 -11.340 7.175 416 HZ2 LYS 48 HZ2 LYS 48 -2.088 -12.530 5.973 417 HZ3 LYS 48 HZ3 LYS 48 -0.683 -11.623 6.236 418 H VAL 49 H VAL 49 1.813 -5.539 2.767 419 HA VAL 49 HA VAL 49 0.667 -2.845 2.674 420 HB VAL 49 HB VAL 49 2.543 -2.436 1.009 421 HG11 VAL 49 HG11 VAL 49 4.214 -2.156 2.752 422 HG12 VAL 49 HG12 VAL 49 2.619 -1.701 3.350 423 HG13 VAL 49 HG13 VAL 49 3.323 -3.253 3.807 424 HG21 VAL 49 HG21 VAL 49 2.919 -4.831 0.487 425 HG22 VAL 49 HG22 VAL 49 4.390 -3.984 0.968 426 HG23 VAL 49 HG23 VAL 49 3.571 -5.049 2.112 427 H VAL 50 H VAL 50 -0.725 -2.251 1.146 428 HA VAL 50 HA VAL 50 -1.070 -4.021 -1.187 429 HB VAL 50 HB VAL 50 -3.193 -2.147 -0.185 430 HG11 VAL 50 HG11 VAL 50 -3.889 -4.733 -1.379 431 HG12 VAL 50 HG12 VAL 50 -4.527 -3.121 -1.706 432 HG13 VAL 50 HG13 VAL 50 -3.015 -3.640 -2.453 433 HG21 VAL 50 HG21 VAL 50 -2.720 -4.988 0.718 434 HG22 VAL 50 HG22 VAL 50 -2.612 -3.536 1.715 435 HG23 VAL 50 HG23 VAL 50 -4.168 -4.040 1.057 436 H VAL 51 H VAL 51 -1.214 -3.140 -3.220 437 HA VAL 51 HA VAL 51 -0.910 -0.225 -3.458 438 HB VAL 51 HB VAL 51 0.729 -0.546 -5.278 439 HG11 VAL 51 HG11 VAL 51 1.229 -1.269 -2.462 440 HG12 VAL 51 HG12 VAL 51 2.519 -1.651 -3.603 441 HG13 VAL 51 HG13 VAL 51 1.937 0.007 -3.451 442 HG21 VAL 51 HG21 VAL 51 1.734 -3.105 -4.751 443 HG22 VAL 51 HG22 VAL 51 -0.010 -3.303 -4.917 444 HG23 VAL 51 HG23 VAL 51 0.920 -2.554 -6.215 445 H VAL 52 H VAL 52 -1.785 0.702 -5.307 446 HA VAL 52 HA VAL 52 -3.398 -1.101 -6.992 447 HB VAL 52 HB VAL 52 -4.172 1.726 -6.285 448 HG11 VAL 52 HG11 VAL 52 -6.449 0.737 -6.975 449 HG12 VAL 52 HG12 VAL 52 -5.285 1.131 -8.240 450 HG13 VAL 52 HG13 VAL 52 -5.495 -0.543 -7.726 451 HG21 VAL 52 HG21 VAL 52 -4.349 -0.667 -4.679 452 HG22 VAL 52 HG22 VAL 52 -4.734 1.001 -4.256 453 HG23 VAL 52 HG23 VAL 52 -5.948 -0.014 -5.032 454 H GLY 53 H GLY 53 -3.276 -0.840 -9.159 455 HA2 GLY 53 HA2 GLY 53 -2.541 -0.079 -11.195 456 HA3 GLY 53 HA3 GLY 53 -2.582 1.533 -10.495 457 H VAL 54 H VAL 54 -0.606 -1.031 -9.178 458 HA VAL 54 HA VAL 54 1.785 0.419 -10.116 459 HB VAL 54 HB VAL 54 1.521 -1.251 -7.613 460 HG11 VAL 54 HG11 VAL 54 3.767 0.530 -8.552 461 HG12 VAL 54 HG12 VAL 54 3.718 -0.384 -7.045 462 HG13 VAL 54 HG13 VAL 54 3.775 -1.233 -8.589 463 HG21 VAL 54 HG21 VAL 54 1.429 1.721 -8.058 464 HG22 VAL 54 HG22 VAL 54 0.252 0.700 -7.233 465 HG23 VAL 54 HG23 VAL 54 1.823 1.009 -6.493 466 H SER 55 H SER 55 3.467 -0.715 -10.998 467 HA SER 55 HA SER 55 2.913 -3.144 -12.286 468 HB2 SER 55 HB2 SER 55 5.760 -2.719 -11.934 469 HB3 SER 55 HB3 SER 55 4.794 -2.648 -13.408 470 HG SER 55 HG SER 55 5.428 -0.609 -13.213 471 H GLU 56 H GLU 56 3.424 -5.247 -11.854 472 HA GLU 56 HA GLU 56 3.700 -5.999 -9.130 473 HB2 GLU 56 HB2 GLU 56 3.752 -8.298 -9.974 474 HB3 GLU 56 HB3 GLU 56 2.457 -7.374 -10.722 475 HG2 GLU 56 HG2 GLU 56 4.103 -6.973 -12.638 476 HG3 GLU 56 HG3 GLU 56 5.046 -8.279 -11.922 477 H LYS 57 H LYS 57 5.914 -5.874 -11.868 478 HA LYS 57 HA LYS 57 8.074 -7.244 -10.732 479 HB2 LYS 57 HB2 LYS 57 9.444 -6.178 -12.415 480 HB3 LYS 57 HB3 LYS 57 7.898 -6.624 -13.126 481 HG2 LYS 57 HG2 LYS 57 7.251 -4.163 -12.498 482 HG3 LYS 57 HG3 LYS 57 9.001 -3.928 -12.517 483 HD2 LYS 57 HD2 LYS 57 8.765 -5.235 -14.817 484 HD3 LYS 57 HD3 LYS 57 7.136 -4.559 -14.744 485 HE2 LYS 57 HE2 LYS 57 7.941 -2.350 -14.729 486 HE3 LYS 57 HE3 LYS 57 9.581 -2.863 -14.330 487 HZ1 LYS 57 HZ1 LYS 57 8.576 -3.960 -16.798 488 HZ2 LYS 57 HZ2 LYS 57 8.704 -2.273 -16.810 489 HZ3 LYS 57 HZ3 LYS 57 10.062 -3.222 -16.467 490 H VAL 58 H VAL 58 6.981 -3.937 -10.372 491 HA VAL 58 HA VAL 58 9.340 -2.982 -9.075 492 HB VAL 58 HB VAL 58 6.537 -1.856 -9.031 493 HG11 VAL 58 HG11 VAL 58 9.181 -0.694 -8.180 494 HG12 VAL 58 HG12 VAL 58 7.735 0.276 -8.463 495 HG13 VAL 58 HG13 VAL 58 7.742 -0.947 -7.192 496 HG21 VAL 58 HG21 VAL 58 8.319 -2.073 -11.161 497 HG22 VAL 58 HG22 VAL 58 6.901 -1.029 -11.066 498 HG23 VAL 58 HG23 VAL 58 8.484 -0.409 -10.599 499 H VAL 59 H VAL 59 6.073 -3.726 -7.844 500 HA VAL 59 HA VAL 59 6.721 -3.446 -5.123 501 HB VAL 59 HB VAL 59 4.656 -4.749 -4.684 502 HG11 VAL 59 HG11 VAL 59 4.021 -2.587 -4.858 503 HG12 VAL 59 HG12 VAL 59 4.795 -2.372 -6.428 504 HG13 VAL 59 HG13 VAL 59 3.225 -3.169 -6.321 505 HG21 VAL 59 HG21 VAL 59 3.269 -5.309 -6.737 506 HG22 VAL 59 HG22 VAL 59 4.764 -5.155 -7.661 507 HG23 VAL 59 HG23 VAL 59 4.633 -6.373 -6.393 508 H GLN 60 H GLN 60 6.848 -6.209 -7.302 509 HA GLN 60 HA GLN 60 7.226 -8.247 -5.442 510 HB2 GLN 60 HB2 GLN 60 6.816 -8.625 -7.843 511 HB3 GLN 60 HB3 GLN 60 8.427 -8.022 -8.207 512 HG2 GLN 60 HG2 GLN 60 8.667 -10.327 -8.272 513 HG3 GLN 60 HG3 GLN 60 9.267 -9.888 -6.673 514 HE21 GLN 60 HE21 GLN 60 8.105 -10.475 -4.860 515 HE22 GLN 60 HE22 GLN 60 6.811 -11.617 -4.911 516 H LYS 61 H LYS 61 9.668 -6.289 -7.138 517 HA LYS 61 HA LYS 61 11.935 -7.433 -5.992 518 HB2 LYS 61 HB2 LYS 61 11.752 -5.730 -7.911 519 HB3 LYS 61 HB3 LYS 61 11.733 -4.502 -6.652 520 HG2 LYS 61 HG2 LYS 61 13.959 -4.581 -7.219 521 HG3 LYS 61 HG3 LYS 61 13.898 -5.671 -5.833 522 HD2 LYS 61 HD2 LYS 61 13.355 -7.332 -7.961 523 HD3 LYS 61 HD3 LYS 61 14.556 -6.219 -8.620 524 HE2 LYS 61 HE2 LYS 61 16.066 -6.725 -6.790 525 HE3 LYS 61 HE3 LYS 61 14.854 -7.769 -6.049 526 HZ1 LYS 61 HZ1 LYS 61 16.585 -8.265 -8.337 527 HZ2 LYS 61 HZ2 LYS 61 16.020 -9.335 -7.155 528 HZ3 LYS 61 HZ3 LYS 61 15.012 -8.884 -8.438 529 H VAL 62 H VAL 62 10.486 -4.308 -5.053 530 HA VAL 62 HA VAL 62 11.921 -3.891 -2.737 531 HB VAL 62 HB VAL 62 9.022 -3.155 -3.158 532 HG11 VAL 62 HG11 VAL 62 11.089 -2.374 -1.166 533 HG12 VAL 62 HG12 VAL 62 9.939 -1.152 -1.710 534 HG13 VAL 62 HG13 VAL 62 9.357 -2.636 -0.956 535 HG21 VAL 62 HG21 VAL 62 9.891 -2.067 -4.939 536 HG22 VAL 62 HG22 VAL 62 10.393 -0.905 -3.712 537 HG23 VAL 62 HG23 VAL 62 11.535 -2.114 -4.301 538 H LYS 63 H LYS 63 8.825 -5.599 -3.094 539 HA LYS 63 HA LYS 63 8.289 -6.170 -0.450 540 HB2 LYS 63 HB2 LYS 63 6.660 -6.717 -2.095 541 HB3 LYS 63 HB3 LYS 63 7.776 -7.775 -2.951 542 HG2 LYS 63 HG2 LYS 63 7.349 -8.581 -0.189 543 HG3 LYS 63 HG3 LYS 63 5.865 -8.561 -1.145 544 HD2 LYS 63 HD2 LYS 63 6.561 -10.244 -2.510 545 HD3 LYS 63 HD3 LYS 63 8.261 -9.786 -2.388 546 HE2 LYS 63 HE2 LYS 63 7.527 -10.574 0.186 547 HE3 LYS 63 HE3 LYS 63 6.767 -11.748 -0.886 548 HZ1 LYS 63 HZ1 LYS 63 8.722 -12.720 -1.146 549 HZ2 LYS 63 HZ2 LYS 63 9.379 -11.297 -1.784 550 HZ3 LYS 63 HZ3 LYS 63 9.452 -11.591 -0.120 551 H GLN 64 H GLN 64 10.442 -7.872 -2.677 552 HA GLN 64 HA GLN 64 11.045 -10.049 -0.998 553 HB2 GLN 64 HB2 GLN 64 11.633 -9.430 -3.560 554 HB3 GLN 64 HB3 GLN 64 13.178 -9.070 -2.801 555 HG2 GLN 64 HG2 GLN 64 12.051 -11.615 -1.949 556 HG3 GLN 64 HG3 GLN 64 12.345 -11.527 -3.684 557 HE21 GLN 64 HE21 GLN 64 14.486 -11.013 -4.400 558 HE22 GLN 64 HE22 GLN 64 15.847 -11.408 -3.412 559 H GLU 65 H GLU 65 12.666 -6.926 -1.471 560 HA GLU 65 HA GLU 65 14.646 -7.506 0.546 561 HB2 GLU 65 HB2 GLU 65 14.055 -4.839 -0.739 562 HB3 GLU 65 HB3 GLU 65 15.540 -5.334 0.062 563 HG2 GLU 65 HG2 GLU 65 14.469 -6.234 -2.590 564 HG3 GLU 65 HG3 GLU 65 15.986 -5.405 -2.243 565 H ALA 66 H ALA 66 11.473 -6.752 0.732 566 HA ALA 66 HA ALA 66 11.734 -4.991 3.060 567 HB1 ALA 66 HB1 ALA 66 9.259 -4.775 2.868 568 HB2 ALA 66 HB2 ALA 66 10.144 -4.216 1.449 569 HB3 ALA 66 HB3 ALA 66 9.333 -5.781 1.422 570 H ASN 67 H ASN 67 10.858 -8.225 2.128 571 HA ASN 67 HA ASN 67 10.441 -10.103 3.342 572 HB2 ASN 67 HB2 ASN 67 12.341 -9.033 4.753 573 HB3 ASN 67 HB3 ASN 67 11.055 -8.610 5.878 574 HD21 ASN 67 HD21 ASN 67 12.755 -11.240 4.332 575 HD22 ASN 67 HD22 ASN 67 12.302 -12.458 5.470 576 H VAL 68 H VAL 68 8.268 -8.615 2.650 577 HA VAL 68 HA VAL 68 6.443 -9.201 4.858 578 HB VAL 68 HB VAL 68 5.190 -7.069 4.392 579 HG11 VAL 68 HG11 VAL 68 7.937 -7.047 5.603 580 HG12 VAL 68 HG12 VAL 68 6.881 -5.635 5.657 581 HG13 VAL 68 HG13 VAL 68 6.374 -7.145 6.415 582 HG21 VAL 68 HG21 VAL 68 5.867 -5.599 2.856 583 HG22 VAL 68 HG22 VAL 68 7.529 -5.641 3.443 584 HG23 VAL 68 HG23 VAL 68 6.973 -6.848 2.284 585 H GLN 69 H GLN 69 4.092 -8.881 4.048 586 HA GLN 69 HA GLN 69 3.881 -10.353 1.550 587 HB2 GLN 69 HB2 GLN 69 2.039 -9.780 3.836 588 HB3 GLN 69 HB3 GLN 69 1.356 -10.247 2.284 589 HG2 GLN 69 HG2 GLN 69 3.478 -12.033 2.915 590 HG3 GLN 69 HG3 GLN 69 2.410 -11.902 4.311 591 HE21 GLN 69 HE21 GLN 69 2.160 -12.153 0.778 592 HE22 GLN 69 HE22 GLN 69 0.884 -13.317 0.780 593 H VAL 70 H VAL 70 3.530 -9.381 -0.324 594 HA VAL 70 HA VAL 70 2.504 -6.635 -0.336 595 HB VAL 70 HB VAL 70 4.624 -7.045 -1.520 596 HG11 VAL 70 HG11 VAL 70 4.953 -8.706 -2.983 597 HG12 VAL 70 HG12 VAL 70 3.467 -9.395 -2.328 598 HG13 VAL 70 HG13 VAL 70 3.414 -8.417 -3.795 599 HG21 VAL 70 HG21 VAL 70 2.271 -5.806 -2.595 600 HG22 VAL 70 HG22 VAL 70 3.955 -5.298 -2.720 601 HG23 VAL 70 HG23 VAL 70 3.281 -6.417 -3.904 602 H TYR 71 H TYR 71 0.576 -6.107 -1.178 603 HA TYR 71 HA TYR 71 -0.946 -8.227 -2.548 604 HB2 TYR 71 HB2 TYR 71 -1.746 -6.287 -0.420 605 HB3 TYR 71 HB3 TYR 71 -2.951 -6.790 -1.600 606 HD1 TYR 71 HD1 TYR 71 -0.452 -8.208 0.781 607 HD2 TYR 71 HD2 TYR 71 -4.165 -8.734 -1.230 608 HE1 TYR 71 HE1 TYR 71 -0.856 -10.258 2.077 609 HE2 TYR 71 HE2 TYR 71 -4.581 -10.785 0.062 610 HH TYR 71 HH TYR 71 -3.223 -12.503 1.276 611 H ARG 72 H ARG 72 -1.695 -7.773 -4.517 612 HA ARG 72 HA ARG 72 -1.375 -5.036 -5.514 613 HB2 ARG 72 HB2 ARG 72 -1.633 -6.122 -7.768 614 HB3 ARG 72 HB3 ARG 72 -0.219 -6.633 -6.855 615 HG2 ARG 72 HG2 ARG 72 -1.090 -8.737 -6.433 616 HG3 ARG 72 HG3 ARG 72 -2.751 -8.216 -6.730 617 HD2 ARG 72 HD2 ARG 72 -2.554 -9.012 -8.796 618 HD3 ARG 72 HD3 ARG 72 -1.387 -7.728 -9.116 619 HE ARG 72 HE ARG 72 -0.202 -10.008 -7.859 620 HH11 ARG 72 HH11 ARG 72 -1.251 -8.685 -10.904 621 HH12 ARG 72 HH12 ARG 72 -0.160 -9.646 -11.846 622 HH21 ARG 72 HH21 ARG 72 1.241 -11.278 -9.088 623 HH22 ARG 72 HH22 ARG 72 1.256 -11.121 -10.812 624 H VAL 73 H VAL 73 -3.038 -3.894 -6.443 625 HA VAL 73 HA VAL 73 -5.731 -5.013 -6.035 626 HB VAL 73 HB VAL 73 -4.850 -2.123 -6.092 627 HG11 VAL 73 HG11 VAL 73 -6.957 -1.781 -6.799 628 HG12 VAL 73 HG12 VAL 73 -7.488 -3.393 -6.321 629 HG13 VAL 73 HG13 VAL 73 -7.384 -2.107 -5.119 630 HG21 VAL 73 HG21 VAL 73 -5.869 -2.327 -3.696 631 HG22 VAL 73 HG22 VAL 73 -5.531 -4.045 -3.909 632 HG23 VAL 73 HG23 VAL 73 -4.219 -2.870 -4.003 633 H THR 74 H THR 74 -7.207 -4.989 -7.667 634 HA THR 74 HA THR 74 -6.240 -4.068 -10.294 635 HB THR 74 HB THR 74 -6.515 -6.521 -10.140 636 HG1 THR 74 HG1 THR 74 -8.607 -5.657 -11.806 637 HG21 THR 74 HG21 THR 74 -8.503 -7.576 -9.615 638 HG22 THR 74 HG22 THR 74 -8.545 -6.197 -8.517 639 HG23 THR 74 HG23 THR 74 -9.480 -6.162 -10.012 640 H SER 75 H SER 75 -8.697 -3.794 -7.921 641 HA SER 75 HA SER 75 -10.009 -1.726 -9.452 642 HB2 SER 75 HB2 SER 75 -11.428 -4.291 -8.724 643 HB3 SER 75 HB3 SER 75 -12.292 -2.792 -9.067 644 HG SER 75 HG SER 75 -10.640 -4.302 -10.798 645 H ASN 76 H ASN 76 -11.627 -0.557 -8.163 646 HA ASN 76 HA ASN 76 -10.704 0.146 -5.652 647 HB2 ASN 76 HB2 ASN 76 -13.469 0.432 -6.842 648 HB3 ASN 76 HB3 ASN 76 -12.971 1.199 -5.337 649 HD21 ASN 76 HD21 ASN 76 -11.196 2.711 -5.430 650 HD22 ASN 76 HD22 ASN 76 -10.938 3.626 -6.873 651 H ASP 77 H ASP 77 -13.015 -2.327 -6.566 652 HA ASP 77 HA ASP 77 -14.135 -2.862 -4.061 653 HB2 ASP 77 HB2 ASP 77 -13.602 -4.727 -6.382 654 HB3 ASP 77 HB3 ASP 77 -14.605 -5.133 -4.993 655 H GLU 78 H GLU 78 -11.042 -3.706 -5.413 656 HA GLU 78 HA GLU 78 -10.428 -5.737 -3.488 657 HB2 GLU 78 HB2 GLU 78 -9.246 -4.691 -5.867 658 HB3 GLU 78 HB3 GLU 78 -8.045 -4.640 -4.585 659 HG2 GLU 78 HG2 GLU 78 -9.624 -7.130 -4.978 660 HG3 GLU 78 HG3 GLU 78 -8.318 -6.755 -6.100 661 H VAL 79 H VAL 79 -10.041 -2.282 -3.696 662 HA VAL 79 HA VAL 79 -8.098 -2.007 -1.638 663 HB VAL 79 HB VAL 79 -10.113 0.000 -2.661 664 HG11 VAL 79 HG11 VAL 79 -9.449 0.901 -0.636 665 HG12 VAL 79 HG12 VAL 79 -7.829 0.213 -0.743 666 HG13 VAL 79 HG13 VAL 79 -8.270 1.591 -1.751 667 HG21 VAL 79 HG21 VAL 79 -7.341 -0.755 -3.504 668 HG22 VAL 79 HG22 VAL 79 -8.779 -0.499 -4.493 669 HG23 VAL 79 HG23 VAL 79 -7.946 0.879 -3.773 670 H GLU 80 H GLU 80 -11.623 -1.452 -1.662 671 HA GLU 80 HA GLU 80 -11.806 -0.993 1.126 672 HB2 GLU 80 HB2 GLU 80 -14.228 -1.213 0.805 673 HB3 GLU 80 HB3 GLU 80 -13.509 -0.185 -0.427 674 HG2 GLU 80 HG2 GLU 80 -13.568 -2.032 -2.016 675 HG3 GLU 80 HG3 GLU 80 -14.271 -3.076 -0.781 676 H GLN 81 H GLN 81 -11.968 -3.868 -0.860 677 HA GLN 81 HA GLN 81 -13.096 -5.610 1.048 678 HB2 GLN 81 HB2 GLN 81 -13.031 -6.233 -1.282 679 HB3 GLN 81 HB3 GLN 81 -11.275 -6.153 -1.300 680 HG2 GLN 81 HG2 GLN 81 -12.080 -8.452 -1.240 681 HG3 GLN 81 HG3 GLN 81 -11.142 -8.050 0.196 682 HE21 GLN 81 HE21 GLN 81 -12.004 -8.482 2.106 683 HE22 GLN 81 HE22 GLN 81 -13.661 -8.869 2.400 684 H VAL 82 H VAL 82 -9.697 -5.073 0.125 685 HA VAL 82 HA VAL 82 -8.555 -6.806 2.001 686 HB VAL 82 HB VAL 82 -7.402 -4.289 0.794 687 HG11 VAL 82 HG11 VAL 82 -5.813 -4.551 2.354 688 HG12 VAL 82 HG12 VAL 82 -6.336 -6.188 2.751 689 HG13 VAL 82 HG13 VAL 82 -5.285 -5.909 1.362 690 HG21 VAL 82 HG21 VAL 82 -6.645 -5.552 -0.962 691 HG22 VAL 82 HG22 VAL 82 -6.627 -7.045 -0.023 692 HG23 VAL 82 HG23 VAL 82 -8.156 -6.389 -0.608 693 H VAL 83 H VAL 83 -9.110 -3.295 2.198 694 HA VAL 83 HA VAL 83 -8.091 -2.952 4.794 695 HB VAL 83 HB VAL 83 -10.247 -1.324 3.440 696 HG11 VAL 83 HG11 VAL 83 -10.327 -0.431 5.514 697 HG12 VAL 83 HG12 VAL 83 -8.730 -1.034 5.954 698 HG13 VAL 83 HG13 VAL 83 -8.883 0.420 4.966 699 HG21 VAL 83 HG21 VAL 83 -7.640 -0.125 3.421 700 HG22 VAL 83 HG22 VAL 83 -7.576 -1.720 2.669 701 HG23 VAL 83 HG23 VAL 83 -8.704 -0.505 2.066 702 H LYS 84 H LYS 84 -11.394 -3.545 3.641 703 HA LYS 84 HA LYS 84 -12.834 -3.299 5.954 704 HB2 LYS 84 HB2 LYS 84 -13.093 -4.974 3.522 705 HB3 LYS 84 HB3 LYS 84 -14.059 -5.461 4.910 706 HG2 LYS 84 HG2 LYS 84 -15.305 -3.512 4.890 707 HG3 LYS 84 HG3 LYS 84 -14.085 -2.622 3.976 708 HD2 LYS 84 HD2 LYS 84 -15.644 -2.993 2.335 709 HD3 LYS 84 HD3 LYS 84 -14.626 -4.420 2.134 710 HE2 LYS 84 HE2 LYS 84 -16.167 -5.771 3.369 711 HE3 LYS 84 HE3 LYS 84 -17.114 -4.359 3.832 712 HZ1 LYS 84 HZ1 LYS 84 -17.024 -4.314 1.083 713 HZ2 LYS 84 HZ2 LYS 84 -17.286 -5.939 1.478 714 HZ3 LYS 84 HZ3 LYS 84 -18.346 -4.748 2.047 715 H ASP 85 H ASP 85 -11.593 -6.441 4.802 716 HA ASP 85 HA ASP 85 -11.962 -7.701 7.321 717 HB2 ASP 85 HB2 ASP 85 -11.196 -8.478 4.673 718 HB3 ASP 85 HB3 ASP 85 -10.030 -9.137 5.818 719 H VAL 86 H VAL 86 -9.432 -5.804 5.957 720 HA VAL 86 HA VAL 86 -7.470 -5.025 6.814 721 HB VAL 86 HB VAL 86 -8.238 -6.349 9.414 722 HG11 VAL 86 HG11 VAL 86 -6.734 -3.791 9.200 723 HG12 VAL 86 HG12 VAL 86 -6.652 -5.051 10.430 724 HG13 VAL 86 HG13 VAL 86 -5.885 -5.299 8.862 725 HG21 VAL 86 HG21 VAL 86 -10.074 -4.934 8.583 726 HG22 VAL 86 HG22 VAL 86 -9.327 -4.272 10.036 727 HG23 VAL 86 HG23 VAL 86 -8.953 -3.578 8.459 728 H LYS 87 H LYS 87 -6.911 -6.961 5.277 729 HA LYS 87 HA LYS 87 -4.608 -8.189 6.272 730 HB2 LYS 87 HB2 LYS 87 -6.899 -9.545 7.099 731 HB3 LYS 87 HB3 LYS 87 -6.314 -10.477 5.726 732 HG2 LYS 87 HG2 LYS 87 -4.536 -11.246 6.847 733 HG3 LYS 87 HG3 LYS 87 -4.233 -9.695 7.634 734 HD2 LYS 87 HD2 LYS 87 -4.827 -11.077 9.406 735 HD3 LYS 87 HD3 LYS 87 -6.340 -10.252 9.023 736 HE2 LYS 87 HE2 LYS 87 -6.671 -12.334 7.440 737 HE3 LYS 87 HE3 LYS 87 -5.544 -13.085 8.568 738 HZ1 LYS 87 HZ1 LYS 87 -7.642 -11.640 9.882 739 HZ2 LYS 87 HZ2 LYS 87 -8.231 -12.889 8.904 740 HZ3 LYS 87 HZ3 LYS 87 -7.109 -13.227 10.125 741 H GLY 88 H GLY 88 -7.277 -9.125 4.086 742 HA2 GLY 88 HA2 GLY 88 -7.039 -8.673 1.696 743 HA3 GLY 88 HA3 GLY 88 -5.328 -9.031 1.868 744 H SER 89 H SER 89 -8.367 -10.266 1.077 745 HA SER 89 HA SER 89 -8.122 -12.970 1.759 746 HB2 SER 89 HB2 SER 89 -9.469 -12.054 -0.772 747 HB3 SER 89 HB3 SER 89 -9.931 -13.367 0.311 748 HG SER 89 HG SER 89 -10.761 -10.849 0.342 749 H GLY 90 H GLY 90 -7.686 -11.612 -1.514 750 HA2 GLY 90 HA2 GLY 90 -6.279 -12.215 -3.225 751 HA3 GLY 90 HA3 GLY 90 -5.158 -12.739 -1.978 752 H LEU 91 H LEU 91 -8.396 -14.003 -2.619 753 HA LEU 91 HA LEU 91 -7.450 -16.323 -3.999 754 HB2 LEU 91 HB2 LEU 91 -6.970 -16.564 -1.420 755 HB3 LEU 91 HB3 LEU 91 -8.681 -16.979 -1.367 756 HG LEU 91 HG LEU 91 -8.237 -18.810 -2.982 757 HD11 LEU 91 HD11 LEU 91 -5.882 -17.481 -3.462 758 HD12 LEU 91 HD12 LEU 91 -5.369 -18.859 -2.487 759 HD13 LEU 91 HD13 LEU 91 -6.268 -19.122 -3.981 760 HD21 LEU 91 HD21 LEU 91 -8.199 -19.971 -1.089 761 HD22 LEU 91 HD22 LEU 91 -6.442 -19.815 -1.094 762 HD23 LEU 91 HD23 LEU 91 -7.429 -18.641 -0.223 763 H GLU 92 H GLU 92 -9.048 -17.114 -5.222 764 HA GLU 92 HA GLU 92 -11.100 -17.334 -6.182 765 HB2 GLU 92 HB2 GLU 92 -12.191 -17.236 -3.371 766 HB3 GLU 92 HB3 GLU 92 -12.892 -18.039 -4.769 767 HG2 GLU 92 HG2 GLU 92 -10.968 -19.586 -4.801 768 HG3 GLU 92 HG3 GLU 92 -10.366 -18.817 -3.334 769 H HIS 93 H HIS 93 -10.612 -15.018 -6.840 770 HA HIS 93 HA HIS 93 -12.151 -12.955 -5.545 771 HB2 HIS 93 HB2 HIS 93 -11.235 -11.467 -7.172 772 HB3 HIS 93 HB3 HIS 93 -9.944 -12.574 -6.711 773 HD1 HIS 93 HD1 HIS 93 -12.066 -11.555 -9.588 774 HD2 HIS 93 HD2 HIS 93 -9.155 -14.391 -8.725 775 HE1 HIS 93 HE1 HIS 93 -11.358 -12.490 -11.812 776 H HIS 94 H HIS 94 -13.512 -11.508 -7.099 777 HA HIS 94 HA HIS 94 -15.122 -13.133 -8.925 778 HB2 HIS 94 HB2 HIS 94 -15.966 -12.303 -6.311 779 HB3 HIS 94 HB3 HIS 94 -16.944 -11.482 -7.522 780 HD1 HIS 94 HD1 HIS 94 -18.720 -12.837 -8.681 781 HD2 HIS 94 HD2 HIS 94 -16.123 -15.178 -6.437 782 HE1 HIS 94 HE1 HIS 94 -19.730 -15.140 -8.669 783 H HIS 95 H HIS 95 -15.475 -12.088 -10.768 784 HA HIS 95 HA HIS 95 -15.362 -9.142 -10.753 785 HB2 HIS 95 HB2 HIS 95 -13.705 -10.985 -12.155 786 HB3 HIS 95 HB3 HIS 95 -14.705 -10.151 -13.341 787 HD1 HIS 95 HD1 HIS 95 -12.835 -8.718 -14.297 788 HD2 HIS 95 HD2 HIS 95 -13.301 -8.283 -10.192 789 HE1 HIS 95 HE1 HIS 95 -11.417 -6.740 -13.666 790 H HIS 96 H HIS 96 -17.179 -8.201 -11.382 791 HA HIS 96 HA HIS 96 -19.237 -7.851 -12.287 792 HB2 HIS 96 HB2 HIS 96 -18.288 -9.784 -14.412 793 HB3 HIS 96 HB3 HIS 96 -19.610 -8.632 -14.568 794 HD1 HIS 96 HD1 HIS 96 -16.009 -8.979 -15.039 795 HD2 HIS 96 HD2 HIS 96 -18.710 -5.860 -14.545 796 HE1 HIS 96 HE1 HIS 96 -14.796 -6.912 -15.801 797 H HIS 97 H HIS 97 -21.119 -9.326 -13.498 798 HA HIS 97 HA HIS 97 -21.581 -11.526 -11.594 799 HB2 HIS 97 HB2 HIS 97 -24.010 -11.126 -12.043 800 HB3 HIS 97 HB3 HIS 97 -23.193 -9.766 -11.279 801 HD1 HIS 97 HD1 HIS 97 -23.503 -7.562 -12.378 802 HD2 HIS 97 HD2 HIS 97 -24.338 -10.717 -14.948 803 HE1 HIS 97 HE1 HIS 97 -24.388 -6.501 -14.479 804 H HIS 98 H HIS 98 -22.681 -13.413 -12.352 805 HA HIS 98 HA HIS 98 -21.764 -14.289 -14.900 806 HB2 HIS 98 HB2 HIS 98 -22.058 -15.753 -12.876 807 HB3 HIS 98 HB3 HIS 98 -23.798 -15.645 -13.122 808 HD1 HIS 98 HD1 HIS 98 -20.702 -17.164 -14.581 809 HD2 HIS 98 HD2 HIS 98 -24.808 -17.198 -15.207 810 HE1 HIS 98 HE1 HIS 98 -21.120 -19.044 -16.198 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.171 -8.092 12.829 2 HA2 GLY 1 HA2 GLY 1 -2.095 -7.741 11.895 3 HA3 GLY 1 HA3 GLY 1 -2.900 -8.235 10.414 4 H ARG 2 H ARG 2 -0.755 -6.433 10.474 5 HA ARG 2 HA ARG 2 -1.918 -3.783 10.128 6 HB2 ARG 2 HB2 ARG 2 0.636 -4.779 10.891 7 HB3 ARG 2 HB3 ARG 2 0.844 -3.855 9.410 8 HG2 ARG 2 HG2 ARG 2 0.991 -2.093 10.770 9 HG3 ARG 2 HG3 ARG 2 -0.767 -2.208 10.858 10 HD2 ARG 2 HD2 ARG 2 -0.670 -3.431 12.892 11 HD3 ARG 2 HD3 ARG 2 1.071 -3.668 12.740 12 HE ARG 2 HE ARG 2 1.396 -1.594 13.649 13 HH11 ARG 2 HH11 ARG 2 -1.920 -1.885 12.630 14 HH12 ARG 2 HH12 ARG 2 -2.411 -0.391 13.359 15 HH21 ARG 2 HH21 ARG 2 0.762 0.375 14.612 16 HH22 ARG 2 HH22 ARG 2 -0.885 0.893 14.485 17 H VAL 3 H VAL 3 -1.759 -2.593 8.194 18 HA VAL 3 HA VAL 3 -0.774 -3.830 5.786 19 HB VAL 3 HB VAL 3 -3.001 -4.894 6.030 20 HG11 VAL 3 HG11 VAL 3 -4.194 -2.179 5.549 21 HG12 VAL 3 HG12 VAL 3 -5.011 -3.677 5.994 22 HG13 VAL 3 HG13 VAL 3 -3.994 -2.843 7.170 23 HG21 VAL 3 HG21 VAL 3 -3.481 -4.776 3.789 24 HG22 VAL 3 HG22 VAL 3 -3.249 -3.029 3.720 25 HG23 VAL 3 HG23 VAL 3 -1.852 -4.102 3.803 26 H VAL 4 H VAL 4 -0.721 -2.396 3.995 27 HA VAL 4 HA VAL 4 -1.436 0.395 4.582 28 HB VAL 4 HB VAL 4 1.201 -0.510 3.418 29 HG11 VAL 4 HG11 VAL 4 1.287 1.493 2.460 30 HG12 VAL 4 HG12 VAL 4 -0.230 1.978 3.218 31 HG13 VAL 4 HG13 VAL 4 1.296 2.205 4.073 32 HG21 VAL 4 HG21 VAL 4 0.796 1.037 5.959 33 HG22 VAL 4 HG22 VAL 4 0.797 -0.726 5.937 34 HG23 VAL 4 HG23 VAL 4 2.227 0.163 5.413 35 H VAL 5 H VAL 5 -2.439 1.410 2.959 36 HA VAL 5 HA VAL 5 -2.738 -0.015 0.424 37 HB VAL 5 HB VAL 5 -4.215 2.441 1.375 38 HG11 VAL 5 HG11 VAL 5 -4.590 0.554 -0.935 39 HG12 VAL 5 HG12 VAL 5 -5.890 1.586 -0.340 40 HG13 VAL 5 HG13 VAL 5 -4.409 2.308 -0.966 41 HG21 VAL 5 HG21 VAL 5 -5.070 0.998 2.886 42 HG22 VAL 5 HG22 VAL 5 -6.036 0.459 1.513 43 HG23 VAL 5 HG23 VAL 5 -4.578 -0.424 1.966 44 H VAL 6 H VAL 6 -1.653 0.565 -1.331 45 HA VAL 6 HA VAL 6 -0.491 3.273 -1.433 46 HB VAL 6 HB VAL 6 0.568 0.846 -2.879 47 HG11 VAL 6 HG11 VAL 6 1.664 2.448 -3.991 48 HG12 VAL 6 HG12 VAL 6 1.239 3.686 -2.808 49 HG13 VAL 6 HG13 VAL 6 2.620 2.628 -2.520 50 HG21 VAL 6 HG21 VAL 6 0.874 0.289 -0.621 51 HG22 VAL 6 HG22 VAL 6 2.408 1.008 -1.110 52 HG23 VAL 6 HG23 VAL 6 1.252 1.952 -0.171 53 H VAL 7 H VAL 7 -0.818 4.511 -3.211 54 HA VAL 7 HA VAL 7 -2.305 3.313 -5.455 55 HB VAL 7 HB VAL 7 -3.622 5.351 -5.679 56 HG11 VAL 7 HG11 VAL 7 -4.806 5.191 -3.364 57 HG12 VAL 7 HG12 VAL 7 -4.805 3.799 -4.447 58 HG13 VAL 7 HG13 VAL 7 -3.680 3.862 -3.091 59 HG21 VAL 7 HG21 VAL 7 -1.922 6.882 -4.712 60 HG22 VAL 7 HG22 VAL 7 -3.543 7.134 -4.065 61 HG23 VAL 7 HG23 VAL 7 -2.337 6.271 -3.111 62 H THR 8 H THR 8 -2.077 4.423 -7.494 63 HA THR 8 HA THR 8 0.611 5.475 -7.834 64 HB THR 8 HB THR 8 -0.290 5.496 -10.337 65 HG1 THR 8 HG1 THR 8 -2.172 4.564 -10.524 66 HG21 THR 8 HG21 THR 8 0.731 3.403 -10.651 67 HG22 THR 8 HG22 THR 8 1.513 4.061 -9.214 68 HG23 THR 8 HG23 THR 8 0.258 2.834 -9.049 69 H SER 9 H SER 9 -2.614 6.635 -7.651 70 HA SER 9 HA SER 9 -1.709 9.288 -8.561 71 HB2 SER 9 HB2 SER 9 -3.806 7.739 -9.617 72 HB3 SER 9 HB3 SER 9 -4.584 9.007 -8.669 73 HG SER 9 HG SER 9 -3.571 10.541 -9.895 74 H GLU 10 H GLU 10 -2.369 11.076 -7.375 75 HA GLU 10 HA GLU 10 -2.682 10.702 -4.604 76 HB2 GLU 10 HB2 GLU 10 -3.144 13.178 -4.579 77 HB3 GLU 10 HB3 GLU 10 -1.639 12.705 -5.357 78 HG2 GLU 10 HG2 GLU 10 -2.528 13.076 -7.515 79 HG3 GLU 10 HG3 GLU 10 -4.168 13.225 -6.889 80 H GLN 11 H GLN 11 -4.982 11.202 -7.188 81 HA GLN 11 HA GLN 11 -7.228 11.970 -5.745 82 HB2 GLN 11 HB2 GLN 11 -6.688 10.791 -8.364 83 HB3 GLN 11 HB3 GLN 11 -8.246 10.312 -7.705 84 HG2 GLN 11 HG2 GLN 11 -8.372 12.935 -7.225 85 HG3 GLN 11 HG3 GLN 11 -7.305 12.952 -8.627 86 HE21 GLN 11 HE21 GLN 11 -10.140 13.802 -8.193 87 HE22 GLN 11 HE22 GLN 11 -11.030 13.017 -9.448 88 H VAL 12 H VAL 12 -6.124 8.686 -6.550 89 HA VAL 12 HA VAL 12 -8.203 7.310 -5.259 90 HB VAL 12 HB VAL 12 -5.379 6.296 -5.560 91 HG11 VAL 12 HG11 VAL 12 -6.799 4.880 -4.211 92 HG12 VAL 12 HG12 VAL 12 -8.054 4.907 -5.450 93 HG13 VAL 12 HG13 VAL 12 -6.513 4.112 -5.772 94 HG21 VAL 12 HG21 VAL 12 -5.810 6.976 -7.726 95 HG22 VAL 12 HG22 VAL 12 -6.419 5.321 -7.740 96 HG23 VAL 12 HG23 VAL 12 -7.542 6.672 -7.589 97 H LYS 13 H LYS 13 -5.111 8.524 -4.088 98 HA LYS 13 HA LYS 13 -5.049 7.249 -1.602 99 HB2 LYS 13 HB2 LYS 13 -3.139 8.474 -2.545 100 HB3 LYS 13 HB3 LYS 13 -4.005 9.991 -2.338 101 HG2 LYS 13 HG2 LYS 13 -4.109 9.254 0.164 102 HG3 LYS 13 HG3 LYS 13 -2.744 8.232 -0.290 103 HD2 LYS 13 HD2 LYS 13 -1.535 10.065 0.224 104 HD3 LYS 13 HD3 LYS 13 -1.993 10.578 -1.401 105 HE2 LYS 13 HE2 LYS 13 -2.647 12.429 -0.253 106 HE3 LYS 13 HE3 LYS 13 -4.123 11.479 -0.094 107 HZ1 LYS 13 HZ1 LYS 13 -3.163 10.656 2.062 108 HZ2 LYS 13 HZ2 LYS 13 -1.982 11.859 1.917 109 HZ3 LYS 13 HZ3 LYS 13 -3.614 12.287 2.041 110 H GLU 14 H GLU 14 -6.365 10.438 -2.477 111 HA GLU 14 HA GLU 14 -7.265 11.179 0.056 112 HB2 GLU 14 HB2 GLU 14 -8.228 11.886 -2.709 113 HB3 GLU 14 HB3 GLU 14 -8.958 12.576 -1.266 114 HG2 GLU 14 HG2 GLU 14 -6.020 12.748 -1.451 115 HG3 GLU 14 HG3 GLU 14 -6.940 13.719 -2.599 116 H GLU 15 H GLU 15 -8.878 9.323 -2.489 117 HA GLU 15 HA GLU 15 -11.381 9.110 -1.201 118 HB2 GLU 15 HB2 GLU 15 -11.588 8.543 -3.405 119 HB3 GLU 15 HB3 GLU 15 -10.018 7.753 -3.462 120 HG2 GLU 15 HG2 GLU 15 -10.842 5.752 -2.688 121 HG3 GLU 15 HG3 GLU 15 -12.228 6.505 -1.901 122 H VAL 16 H VAL 16 -8.462 7.142 -1.093 123 HA VAL 16 HA VAL 16 -9.600 5.015 0.421 124 HB VAL 16 HB VAL 16 -6.704 5.822 0.119 125 HG11 VAL 16 HG11 VAL 16 -6.249 3.471 0.782 126 HG12 VAL 16 HG12 VAL 16 -6.961 4.443 2.070 127 HG13 VAL 16 HG13 VAL 16 -7.958 3.295 1.179 128 HG21 VAL 16 HG21 VAL 16 -8.401 4.928 -1.831 129 HG22 VAL 16 HG22 VAL 16 -6.648 4.744 -1.845 130 HG23 VAL 16 HG23 VAL 16 -7.667 3.430 -1.258 131 H ARG 17 H ARG 17 -7.502 7.757 1.298 132 HA ARG 17 HA ARG 17 -7.319 7.235 4.028 133 HB2 ARG 17 HB2 ARG 17 -5.955 8.909 2.798 134 HB3 ARG 17 HB3 ARG 17 -7.370 9.948 2.695 135 HG2 ARG 17 HG2 ARG 17 -7.349 10.418 4.967 136 HG3 ARG 17 HG3 ARG 17 -6.362 9.005 5.348 137 HD2 ARG 17 HD2 ARG 17 -4.408 10.013 4.598 138 HD3 ARG 17 HD3 ARG 17 -5.277 11.190 3.616 139 HE ARG 17 HE ARG 17 -5.339 12.569 5.429 140 HH11 ARG 17 HH11 ARG 17 -4.791 9.311 6.529 141 HH12 ARG 17 HH12 ARG 17 -4.564 9.769 8.185 142 HH21 ARG 17 HH21 ARG 17 -5.043 13.184 7.605 143 HH22 ARG 17 HH22 ARG 17 -4.708 11.973 8.796 144 H LYS 18 H LYS 18 -9.866 8.731 2.160 145 HA LYS 18 HA LYS 18 -11.284 9.798 4.404 146 HB2 LYS 18 HB2 LYS 18 -11.530 9.829 1.543 147 HB3 LYS 18 HB3 LYS 18 -13.075 9.382 2.254 148 HG2 LYS 18 HG2 LYS 18 -13.362 11.410 3.255 149 HG3 LYS 18 HG3 LYS 18 -11.628 11.708 3.404 150 HD2 LYS 18 HD2 LYS 18 -11.641 11.876 0.841 151 HD3 LYS 18 HD3 LYS 18 -13.393 12.024 0.994 152 HE2 LYS 18 HE2 LYS 18 -11.390 13.799 2.384 153 HE3 LYS 18 HE3 LYS 18 -12.215 14.205 0.879 154 HZ1 LYS 18 HZ1 LYS 18 -14.331 13.744 2.254 155 HZ2 LYS 18 HZ2 LYS 18 -13.327 13.974 3.596 156 HZ3 LYS 18 HZ3 LYS 18 -13.523 15.215 2.463 157 H LYS 19 H LYS 19 -11.502 6.849 2.473 158 HA LYS 19 HA LYS 19 -13.863 5.855 3.684 159 HB2 LYS 19 HB2 LYS 19 -11.654 4.615 2.071 160 HB3 LYS 19 HB3 LYS 19 -12.897 3.608 2.802 161 HG2 LYS 19 HG2 LYS 19 -14.564 5.162 1.620 162 HG3 LYS 19 HG3 LYS 19 -13.177 5.681 0.661 163 HD2 LYS 19 HD2 LYS 19 -12.962 2.947 0.590 164 HD3 LYS 19 HD3 LYS 19 -14.710 3.195 0.557 165 HE2 LYS 19 HE2 LYS 19 -13.630 5.090 -1.203 166 HE3 LYS 19 HE3 LYS 19 -12.767 3.588 -1.528 167 HZ1 LYS 19 HZ1 LYS 19 -15.389 2.843 -1.292 168 HZ2 LYS 19 HZ2 LYS 19 -15.459 4.299 -2.152 169 HZ3 LYS 19 HZ3 LYS 19 -14.523 3.015 -2.736 170 H PHE 20 H PHE 20 -10.420 5.346 4.336 171 HA PHE 20 HA PHE 20 -11.121 4.438 7.024 172 HB2 PHE 20 HB2 PHE 20 -9.136 2.952 5.295 173 HB3 PHE 20 HB3 PHE 20 -9.644 2.528 6.926 174 HD1 PHE 20 HD1 PHE 20 -10.463 2.398 3.397 175 HD2 PHE 20 HD2 PHE 20 -11.893 1.631 7.331 176 HE1 PHE 20 HE1 PHE 20 -12.258 0.996 2.466 177 HE2 PHE 20 HE2 PHE 20 -13.689 0.226 6.408 178 HZ PHE 20 HZ PHE 20 -13.874 -0.094 3.972 179 HA PRO 21 HA PRO 21 -7.715 7.562 7.005 180 HB2 PRO 21 HB2 PRO 21 -8.689 8.959 9.119 181 HB3 PRO 21 HB3 PRO 21 -9.209 9.249 7.454 182 HG2 PRO 21 HG2 PRO 21 -10.551 7.663 9.610 183 HG3 PRO 21 HG3 PRO 21 -11.262 8.799 8.448 184 HD2 PRO 21 HD2 PRO 21 -11.383 6.114 8.121 185 HD3 PRO 21 HD3 PRO 21 -11.293 7.239 6.751 186 H GLN 22 H GLN 22 -9.145 5.517 9.446 187 HA GLN 22 HA GLN 22 -7.158 5.902 11.441 188 HB2 GLN 22 HB2 GLN 22 -9.528 4.911 11.685 189 HB3 GLN 22 HB3 GLN 22 -8.802 3.402 11.147 190 HG2 GLN 22 HG2 GLN 22 -7.087 3.931 13.070 191 HG3 GLN 22 HG3 GLN 22 -8.430 4.890 13.689 192 HE21 GLN 22 HE21 GLN 22 -9.263 3.763 15.304 193 HE22 GLN 22 HE22 GLN 22 -9.731 2.101 15.239 194 H VAL 23 H VAL 23 -7.373 3.934 8.597 195 HA VAL 23 HA VAL 23 -5.221 2.167 9.374 196 HB VAL 23 HB VAL 23 -7.228 1.686 7.751 197 HG11 VAL 23 HG11 VAL 23 -7.060 2.309 5.578 198 HG12 VAL 23 HG12 VAL 23 -6.161 3.651 6.284 199 HG13 VAL 23 HG13 VAL 23 -5.296 2.279 5.591 200 HG21 VAL 23 HG21 VAL 23 -4.697 0.535 8.196 201 HG22 VAL 23 HG22 VAL 23 -6.153 -0.251 7.584 202 HG23 VAL 23 HG23 VAL 23 -4.992 0.453 6.458 203 H GLU 24 H GLU 24 -3.348 1.893 7.816 204 HA GLU 24 HA GLU 24 -2.043 4.455 7.536 205 HB2 GLU 24 HB2 GLU 24 -1.146 1.606 7.152 206 HB3 GLU 24 HB3 GLU 24 -0.122 2.967 6.716 207 HG2 GLU 24 HG2 GLU 24 -1.259 2.497 9.461 208 HG3 GLU 24 HG3 GLU 24 0.360 2.026 8.950 209 H VAL 25 H VAL 25 -1.808 5.595 5.723 210 HA VAL 25 HA VAL 25 -2.285 4.265 3.142 211 HB VAL 25 HB VAL 25 -4.325 5.462 3.683 212 HG11 VAL 25 HG11 VAL 25 -4.350 7.384 4.797 213 HG12 VAL 25 HG12 VAL 25 -2.589 7.314 4.875 214 HG13 VAL 25 HG13 VAL 25 -3.380 8.170 3.551 215 HG21 VAL 25 HG21 VAL 25 -2.923 7.180 1.667 216 HG22 VAL 25 HG22 VAL 25 -3.262 5.481 1.338 217 HG23 VAL 25 HG23 VAL 25 -4.587 6.598 1.666 218 H ARG 26 H ARG 26 -0.685 4.582 1.747 219 HA ARG 26 HA ARG 26 0.841 7.078 1.839 220 HB2 ARG 26 HB2 ARG 26 2.076 4.319 1.882 221 HB3 ARG 26 HB3 ARG 26 2.967 5.813 1.623 222 HG2 ARG 26 HG2 ARG 26 1.313 5.420 4.085 223 HG3 ARG 26 HG3 ARG 26 2.952 4.774 3.970 224 HD2 ARG 26 HD2 ARG 26 3.907 6.889 3.816 225 HD3 ARG 26 HD3 ARG 26 2.394 7.640 3.311 226 HE ARG 26 HE ARG 26 1.848 6.775 5.815 227 HH11 ARG 26 HH11 ARG 26 4.404 8.707 4.454 228 HH12 ARG 26 HH12 ARG 26 4.653 9.631 5.898 229 HH21 ARG 26 HH21 ARG 26 2.166 7.984 7.723 230 HH22 ARG 26 HH22 ARG 26 3.380 9.218 7.757 231 H VAL 27 H VAL 27 0.820 7.928 -0.126 232 HA VAL 27 HA VAL 27 0.323 6.223 -2.439 233 HB VAL 27 HB VAL 27 -1.053 8.181 -2.335 234 HG11 VAL 27 HG11 VAL 27 1.531 9.707 -2.070 235 HG12 VAL 27 HG12 VAL 27 -0.025 10.461 -2.416 236 HG13 VAL 27 HG13 VAL 27 0.219 9.600 -0.896 237 HG21 VAL 27 HG21 VAL 27 0.720 9.249 -4.387 238 HG22 VAL 27 HG22 VAL 27 0.485 7.506 -4.511 239 HG23 VAL 27 HG23 VAL 27 -0.908 8.587 -4.530 240 H VAL 28 H VAL 28 1.789 5.757 -3.968 241 HA VAL 28 HA VAL 28 4.383 7.153 -3.871 242 HB VAL 28 HB VAL 28 5.569 5.132 -4.276 243 HG11 VAL 28 HG11 VAL 28 3.479 4.699 -2.148 244 HG12 VAL 28 HG12 VAL 28 4.959 3.753 -2.307 245 HG13 VAL 28 HG13 VAL 28 5.049 5.478 -1.952 246 HG21 VAL 28 HG21 VAL 28 2.916 4.128 -5.051 247 HG22 VAL 28 HG22 VAL 28 4.514 3.714 -5.673 248 HG23 VAL 28 HG23 VAL 28 3.932 2.978 -4.179 249 H THR 29 H THR 29 5.330 7.656 -5.804 250 HA THR 29 HA THR 29 3.827 6.945 -8.238 251 HB THR 29 HB THR 29 4.454 9.136 -9.184 252 HG1 THR 29 HG1 THR 29 5.429 10.674 -7.874 253 HG21 THR 29 HG21 THR 29 3.124 9.735 -6.571 254 HG22 THR 29 HG22 THR 29 2.730 10.317 -8.189 255 HG23 THR 29 HG23 THR 29 2.338 8.661 -7.728 256 H THR 30 H THR 30 6.948 7.559 -6.768 257 HA THR 30 HA THR 30 8.241 6.410 -9.156 258 HB THR 30 HB THR 30 10.167 7.787 -7.573 259 HG1 THR 30 HG1 THR 30 8.947 9.356 -6.821 260 HG21 THR 30 HG21 THR 30 8.963 8.372 -10.280 261 HG22 THR 30 HG22 THR 30 10.426 9.124 -9.644 262 HG23 THR 30 HG23 THR 30 10.389 7.388 -9.950 263 H GLU 31 H GLU 31 10.462 5.453 -8.568 264 HA GLU 31 HA GLU 31 10.041 3.332 -6.746 265 HB2 GLU 31 HB2 GLU 31 12.675 4.240 -7.915 266 HB3 GLU 31 HB3 GLU 31 12.297 2.646 -7.276 267 HG2 GLU 31 HG2 GLU 31 10.624 2.373 -9.079 268 HG3 GLU 31 HG3 GLU 31 11.150 3.915 -9.750 269 H GLU 32 H GLU 32 11.734 6.400 -6.518 270 HA GLU 32 HA GLU 32 13.046 5.851 -4.056 271 HB2 GLU 32 HB2 GLU 32 12.876 8.028 -5.916 272 HB3 GLU 32 HB3 GLU 32 12.626 8.639 -4.287 273 HG2 GLU 32 HG2 GLU 32 14.722 7.780 -3.558 274 HG3 GLU 32 HG3 GLU 32 14.946 6.895 -5.065 275 H ASP 33 H ASP 33 9.941 7.247 -4.924 276 HA ASP 33 HA ASP 33 9.239 8.258 -2.394 277 HB2 ASP 33 HB2 ASP 33 8.098 8.342 -4.857 278 HB3 ASP 33 HB3 ASP 33 7.048 7.176 -4.055 279 H ALA 34 H ALA 34 8.320 5.186 -3.953 280 HA ALA 34 HA ALA 34 6.924 4.100 -1.795 281 HB1 ALA 34 HB1 ALA 34 6.956 2.068 -2.941 282 HB2 ALA 34 HB2 ALA 34 7.078 3.276 -4.220 283 HB3 ALA 34 HB3 ALA 34 8.517 2.406 -3.689 284 H LYS 35 H LYS 35 10.362 3.949 -2.611 285 HA LYS 35 HA LYS 35 11.227 2.086 -0.758 286 HB2 LYS 35 HB2 LYS 35 12.594 3.217 -2.558 287 HB3 LYS 35 HB3 LYS 35 12.738 4.599 -1.481 288 HG2 LYS 35 HG2 LYS 35 14.227 3.569 -0.134 289 HG3 LYS 35 HG3 LYS 35 13.493 1.979 -0.352 290 HD2 LYS 35 HD2 LYS 35 14.649 1.571 -2.315 291 HD3 LYS 35 HD3 LYS 35 14.921 3.287 -2.631 292 HE2 LYS 35 HE2 LYS 35 16.188 2.795 -0.201 293 HE3 LYS 35 HE3 LYS 35 16.562 1.388 -1.195 294 HZ1 LYS 35 HZ1 LYS 35 18.171 2.678 -2.017 295 HZ2 LYS 35 HZ2 LYS 35 16.947 3.436 -2.905 296 HZ3 LYS 35 HZ3 LYS 35 17.473 4.109 -1.445 297 H GLN 36 H GLN 36 11.063 5.623 -0.327 298 HA GLN 36 HA GLN 36 11.834 5.647 2.367 299 HB2 GLN 36 HB2 GLN 36 10.307 7.557 0.629 300 HB3 GLN 36 HB3 GLN 36 10.486 7.876 2.350 301 HG2 GLN 36 HG2 GLN 36 12.540 8.642 2.064 302 HG3 GLN 36 HG3 GLN 36 13.022 7.188 1.192 303 HE21 GLN 36 HE21 GLN 36 14.223 8.184 -0.358 304 HE22 GLN 36 HE22 GLN 36 13.557 9.229 -1.561 305 H VAL 37 H VAL 37 8.738 5.096 0.843 306 HA VAL 37 HA VAL 37 7.145 5.401 3.178 307 HB VAL 37 HB VAL 37 6.579 3.864 0.638 308 HG11 VAL 37 HG11 VAL 37 4.207 4.056 1.332 309 HG12 VAL 37 HG12 VAL 37 5.168 3.042 2.410 310 HG13 VAL 37 HG13 VAL 37 4.746 4.687 2.888 311 HG21 VAL 37 HG21 VAL 37 6.650 6.667 1.239 312 HG22 VAL 37 HG22 VAL 37 6.318 5.863 -0.296 313 HG23 VAL 37 HG23 VAL 37 5.003 6.184 0.836 314 H VAL 38 H VAL 38 8.336 2.514 1.460 315 HA VAL 38 HA VAL 38 7.324 0.553 3.110 316 HB VAL 38 HB VAL 38 10.041 0.511 1.789 317 HG11 VAL 38 HG11 VAL 38 9.944 -1.305 3.284 318 HG12 VAL 38 HG12 VAL 38 8.261 -1.649 2.885 319 HG13 VAL 38 HG13 VAL 38 9.531 -1.977 1.706 320 HG21 VAL 38 HG21 VAL 38 8.072 -0.946 0.347 321 HG22 VAL 38 HG22 VAL 38 7.452 0.678 0.644 322 HG23 VAL 38 HG23 VAL 38 9.000 0.460 -0.173 323 H LYS 39 H LYS 39 10.363 2.350 3.466 324 HA LYS 39 HA LYS 39 11.265 0.994 5.771 325 HB2 LYS 39 HB2 LYS 39 11.892 3.675 4.563 326 HB3 LYS 39 HB3 LYS 39 12.604 3.183 6.095 327 HG2 LYS 39 HG2 LYS 39 13.232 1.030 4.696 328 HG3 LYS 39 HG3 LYS 39 13.099 2.166 3.353 329 HD2 LYS 39 HD2 LYS 39 14.606 3.692 4.791 330 HD3 LYS 39 HD3 LYS 39 14.974 2.219 5.693 331 HE2 LYS 39 HE2 LYS 39 15.582 1.162 3.487 332 HE3 LYS 39 HE3 LYS 39 15.456 2.769 2.771 333 HZ1 LYS 39 HZ1 LYS 39 17.414 1.770 4.737 334 HZ2 LYS 39 HZ2 LYS 39 17.690 2.578 3.276 335 HZ3 LYS 39 HZ3 LYS 39 17.096 3.428 4.613 336 H GLU 40 H GLU 40 9.297 3.897 5.330 337 HA GLU 40 HA GLU 40 9.197 4.735 7.995 338 HB2 GLU 40 HB2 GLU 40 8.135 5.620 5.624 339 HB3 GLU 40 HB3 GLU 40 6.700 5.099 6.497 340 HG2 GLU 40 HG2 GLU 40 6.775 6.836 7.884 341 HG3 GLU 40 HG3 GLU 40 8.514 6.675 8.135 342 H VAL 41 H VAL 41 6.926 2.656 6.202 343 HA VAL 41 HA VAL 41 5.307 2.088 8.471 344 HB VAL 41 HB VAL 41 4.281 0.346 7.086 345 HG11 VAL 41 HG11 VAL 41 3.426 2.539 6.763 346 HG12 VAL 41 HG12 VAL 41 4.790 2.992 5.741 347 HG13 VAL 41 HG13 VAL 41 3.604 1.821 5.163 348 HG21 VAL 41 HG21 VAL 41 6.229 -0.539 5.977 349 HG22 VAL 41 HG22 VAL 41 5.079 0.017 4.762 350 HG23 VAL 41 HG23 VAL 41 6.498 0.992 5.145 351 H GLN 42 H GLN 42 8.082 0.528 6.987 352 HA GLN 42 HA GLN 42 7.966 -1.952 8.253 353 HB2 GLN 42 HB2 GLN 42 9.521 -1.561 6.454 354 HB3 GLN 42 HB3 GLN 42 10.351 -0.319 7.381 355 HG2 GLN 42 HG2 GLN 42 10.198 -3.071 8.496 356 HG3 GLN 42 HG3 GLN 42 11.320 -2.745 7.176 357 HE21 GLN 42 HE21 GLN 42 12.218 -3.551 9.638 358 HE22 GLN 42 HE22 GLN 42 13.063 -2.252 10.399 359 H LYS 43 H LYS 43 9.200 1.141 9.387 360 HA LYS 43 HA LYS 43 10.311 0.056 11.804 361 HB2 LYS 43 HB2 LYS 43 10.551 2.455 10.397 362 HB3 LYS 43 HB3 LYS 43 9.751 2.902 11.899 363 HG2 LYS 43 HG2 LYS 43 11.538 2.002 13.201 364 HG3 LYS 43 HG3 LYS 43 12.294 1.299 11.769 365 HD2 LYS 43 HD2 LYS 43 12.595 3.589 10.864 366 HD3 LYS 43 HD3 LYS 43 11.955 4.235 12.377 367 HE2 LYS 43 HE2 LYS 43 13.783 3.057 13.582 368 HE3 LYS 43 HE3 LYS 43 14.451 2.581 12.021 369 HZ1 LYS 43 HZ1 LYS 43 15.049 4.858 13.370 370 HZ2 LYS 43 HZ2 LYS 43 15.340 4.586 11.725 371 HZ3 LYS 43 HZ3 LYS 43 13.938 5.397 12.214 372 H LYS 44 H LYS 44 7.308 1.602 10.848 373 HA LYS 44 HA LYS 44 6.296 1.999 13.471 374 HB2 LYS 44 HB2 LYS 44 5.498 2.659 10.879 375 HB3 LYS 44 HB3 LYS 44 4.234 1.589 11.470 376 HG2 LYS 44 HG2 LYS 44 3.344 3.291 12.562 377 HG3 LYS 44 HG3 LYS 44 4.801 3.395 13.554 378 HD2 LYS 44 HD2 LYS 44 5.752 5.036 12.199 379 HD3 LYS 44 HD3 LYS 44 4.698 4.654 10.835 380 HE2 LYS 44 HE2 LYS 44 2.825 5.658 11.892 381 HE3 LYS 44 HE3 LYS 44 3.677 5.785 13.431 382 HZ1 LYS 44 HZ1 LYS 44 3.564 7.660 11.364 383 HZ2 LYS 44 HZ2 LYS 44 4.394 7.776 12.833 384 HZ3 LYS 44 HZ3 LYS 44 5.166 7.128 11.473 385 H GLY 45 H GLY 45 6.166 -0.661 11.181 386 HA2 GLY 45 HA2 GLY 45 6.038 -2.901 12.198 387 HA3 GLY 45 HA3 GLY 45 4.786 -2.258 13.250 388 H VAL 46 H VAL 46 5.488 -2.595 9.770 389 HA VAL 46 HA VAL 46 2.645 -2.798 9.197 390 HB VAL 46 HB VAL 46 4.294 -1.522 7.739 391 HG11 VAL 46 HG11 VAL 46 4.929 -4.194 6.539 392 HG12 VAL 46 HG12 VAL 46 5.730 -2.643 6.287 393 HG13 VAL 46 HG13 VAL 46 5.934 -3.504 7.814 394 HG21 VAL 46 HG21 VAL 46 2.807 -3.597 6.169 395 HG22 VAL 46 HG22 VAL 46 1.945 -2.398 7.134 396 HG23 VAL 46 HG23 VAL 46 3.012 -1.879 5.829 397 H GLN 47 H GLN 47 1.822 -4.560 7.838 398 HA GLN 47 HA GLN 47 3.258 -7.096 8.238 399 HB2 GLN 47 HB2 GLN 47 1.002 -6.387 9.648 400 HB3 GLN 47 HB3 GLN 47 0.341 -7.327 8.317 401 HG2 GLN 47 HG2 GLN 47 2.638 -8.644 9.429 402 HG3 GLN 47 HG3 GLN 47 1.461 -8.279 10.689 403 HE21 GLN 47 HE21 GLN 47 -0.789 -8.929 10.228 404 HE22 GLN 47 HE22 GLN 47 -1.049 -10.406 9.370 405 H LYS 48 H LYS 48 0.827 -5.303 6.421 406 HA LYS 48 HA LYS 48 1.461 -6.948 4.077 407 HB2 LYS 48 HB2 LYS 48 -0.840 -7.389 5.387 408 HB3 LYS 48 HB3 LYS 48 -1.357 -6.057 4.363 409 HG2 LYS 48 HG2 LYS 48 0.110 -7.979 2.817 410 HG3 LYS 48 HG3 LYS 48 -1.203 -8.766 3.696 411 HD2 LYS 48 HD2 LYS 48 -1.927 -6.217 2.429 412 HD3 LYS 48 HD3 LYS 48 -1.475 -7.499 1.302 413 HE2 LYS 48 HE2 LYS 48 -3.116 -8.987 2.338 414 HE3 LYS 48 HE3 LYS 48 -3.558 -7.715 3.475 415 HZ1 LYS 48 HZ1 LYS 48 -5.072 -7.119 1.983 416 HZ2 LYS 48 HZ2 LYS 48 -3.806 -6.553 1.014 417 HZ3 LYS 48 HZ3 LYS 48 -4.416 -8.113 0.783 418 H VAL 49 H VAL 49 0.264 -5.862 2.084 419 HA VAL 49 HA VAL 49 0.019 -3.008 2.199 420 HB VAL 49 HB VAL 49 2.431 -3.086 2.209 421 HG11 VAL 49 HG11 VAL 49 2.619 -5.386 1.274 422 HG12 VAL 49 HG12 VAL 49 2.286 -4.715 -0.322 423 HG13 VAL 49 HG13 VAL 49 3.737 -4.228 0.553 424 HG21 VAL 49 HG21 VAL 49 2.778 -1.542 0.559 425 HG22 VAL 49 HG22 VAL 49 1.893 -2.471 -0.650 426 HG23 VAL 49 HG23 VAL 49 1.015 -1.564 0.581 427 H VAL 50 H VAL 50 -1.449 -2.461 0.732 428 HA VAL 50 HA VAL 50 -1.795 -4.203 -1.621 429 HB VAL 50 HB VAL 50 -3.996 -2.407 -0.729 430 HG11 VAL 50 HG11 VAL 50 -3.779 -4.150 -2.750 431 HG12 VAL 50 HG12 VAL 50 -4.411 -5.227 -1.505 432 HG13 VAL 50 HG13 VAL 50 -5.311 -3.780 -1.959 433 HG21 VAL 50 HG21 VAL 50 -4.732 -4.520 0.664 434 HG22 VAL 50 HG22 VAL 50 -2.989 -4.762 0.787 435 HG23 VAL 50 HG23 VAL 50 -3.715 -3.266 1.375 436 H VAL 51 H VAL 51 -0.775 -3.231 -3.269 437 HA VAL 51 HA VAL 51 -0.917 -0.330 -3.567 438 HB VAL 51 HB VAL 51 0.738 -0.576 -5.323 439 HG11 VAL 51 HG11 VAL 51 1.156 -1.058 -2.657 440 HG12 VAL 51 HG12 VAL 51 1.977 -2.415 -3.427 441 HG13 VAL 51 HG13 VAL 51 2.415 -0.762 -3.855 442 HG21 VAL 51 HG21 VAL 51 1.599 -2.703 -6.033 443 HG22 VAL 51 HG22 VAL 51 0.588 -3.552 -4.864 444 HG23 VAL 51 HG23 VAL 51 -0.153 -2.714 -6.227 445 H VAL 52 H VAL 52 -1.781 0.704 -5.360 446 HA VAL 52 HA VAL 52 -3.491 -0.967 -7.087 447 HB VAL 52 HB VAL 52 -4.134 1.886 -6.381 448 HG11 VAL 52 HG11 VAL 52 -5.446 -0.333 -7.829 449 HG12 VAL 52 HG12 VAL 52 -6.483 0.678 -6.824 450 HG13 VAL 52 HG13 VAL 52 -5.518 1.407 -8.108 451 HG21 VAL 52 HG21 VAL 52 -4.313 -0.454 -4.674 452 HG22 VAL 52 HG22 VAL 52 -4.547 1.250 -4.283 453 HG23 VAL 52 HG23 VAL 52 -5.885 0.303 -4.935 454 H GLY 53 H GLY 53 -3.205 -0.769 -9.220 455 HA2 GLY 53 HA2 GLY 53 -2.519 0.058 -11.254 456 HA3 GLY 53 HA3 GLY 53 -2.451 1.648 -10.508 457 H VAL 54 H VAL 54 -0.608 -0.592 -8.801 458 HA VAL 54 HA VAL 54 1.846 0.563 -9.895 459 HB VAL 54 HB VAL 54 1.444 -1.082 -7.393 460 HG11 VAL 54 HG11 VAL 54 3.694 -1.323 -8.243 461 HG12 VAL 54 HG12 VAL 54 3.849 0.426 -8.412 462 HG13 VAL 54 HG13 VAL 54 3.711 -0.296 -6.808 463 HG21 VAL 54 HG21 VAL 54 1.954 1.170 -6.305 464 HG22 VAL 54 HG22 VAL 54 1.587 1.878 -7.878 465 HG23 VAL 54 HG23 VAL 54 0.353 0.961 -7.015 466 H SER 55 H SER 55 3.563 -0.675 -10.634 467 HA SER 55 HA SER 55 2.892 -3.075 -11.975 468 HB2 SER 55 HB2 SER 55 5.559 -1.754 -11.438 469 HB3 SER 55 HB3 SER 55 5.368 -3.184 -12.452 470 HG SER 55 HG SER 55 4.351 -2.014 -13.949 471 H GLU 56 H GLU 56 3.377 -5.193 -11.544 472 HA GLU 56 HA GLU 56 3.602 -5.942 -8.812 473 HB2 GLU 56 HB2 GLU 56 3.664 -8.253 -9.676 474 HB3 GLU 56 HB3 GLU 56 2.348 -7.316 -10.368 475 HG2 GLU 56 HG2 GLU 56 4.201 -6.875 -12.236 476 HG3 GLU 56 HG3 GLU 56 4.756 -8.443 -11.651 477 H LYS 57 H LYS 57 5.850 -5.882 -11.527 478 HA LYS 57 HA LYS 57 7.968 -7.285 -10.360 479 HB2 LYS 57 HB2 LYS 57 9.368 -6.300 -12.043 480 HB3 LYS 57 HB3 LYS 57 7.798 -6.626 -12.766 481 HG2 LYS 57 HG2 LYS 57 7.406 -4.095 -11.970 482 HG3 LYS 57 HG3 LYS 57 9.150 -4.061 -12.239 483 HD2 LYS 57 HD2 LYS 57 7.859 -5.444 -14.396 484 HD3 LYS 57 HD3 LYS 57 7.101 -3.868 -14.158 485 HE2 LYS 57 HE2 LYS 57 8.997 -2.722 -14.711 486 HE3 LYS 57 HE3 LYS 57 10.067 -3.995 -14.128 487 HZ1 LYS 57 HZ1 LYS 57 8.447 -4.171 -16.610 488 HZ2 LYS 57 HZ2 LYS 57 10.084 -3.747 -16.563 489 HZ3 LYS 57 HZ3 LYS 57 9.596 -5.291 -16.072 490 H VAL 58 H VAL 58 6.964 -3.939 -10.049 491 HA VAL 58 HA VAL 58 9.315 -3.035 -8.716 492 HB VAL 58 HB VAL 58 6.534 -1.855 -8.709 493 HG11 VAL 58 HG11 VAL 58 9.182 -0.644 -7.920 494 HG12 VAL 58 HG12 VAL 58 7.655 0.229 -8.044 495 HG13 VAL 58 HG13 VAL 58 7.849 -1.042 -6.836 496 HG21 VAL 58 HG21 VAL 58 7.562 -2.077 -10.951 497 HG22 VAL 58 HG22 VAL 58 7.321 -0.399 -10.464 498 HG23 VAL 58 HG23 VAL 58 8.930 -1.117 -10.387 499 H VAL 59 H VAL 59 6.019 -3.701 -7.516 500 HA VAL 59 HA VAL 59 6.643 -3.430 -4.790 501 HB VAL 59 HB VAL 59 4.549 -4.693 -4.370 502 HG11 VAL 59 HG11 VAL 59 3.234 -2.917 -4.906 503 HG12 VAL 59 HG12 VAL 59 4.806 -2.187 -5.232 504 HG13 VAL 59 HG13 VAL 59 3.838 -2.827 -6.561 505 HG21 VAL 59 HG21 VAL 59 4.681 -5.107 -7.345 506 HG22 VAL 59 HG22 VAL 59 4.515 -6.320 -6.075 507 HG23 VAL 59 HG23 VAL 59 3.175 -5.232 -6.437 508 H GLN 60 H GLN 60 6.746 -6.201 -6.960 509 HA GLN 60 HA GLN 60 7.056 -8.245 -5.098 510 HB2 GLN 60 HB2 GLN 60 7.883 -7.878 -7.945 511 HB3 GLN 60 HB3 GLN 60 8.500 -9.264 -7.058 512 HG2 GLN 60 HG2 GLN 60 5.604 -8.824 -6.843 513 HG3 GLN 60 HG3 GLN 60 6.193 -9.247 -8.451 514 HE21 GLN 60 HE21 GLN 60 7.720 -11.143 -8.482 515 HE22 GLN 60 HE22 GLN 60 7.314 -12.488 -7.476 516 H LYS 61 H LYS 61 9.561 -6.309 -6.722 517 HA LYS 61 HA LYS 61 11.786 -7.499 -5.532 518 HB2 LYS 61 HB2 LYS 61 11.575 -5.701 -7.433 519 HB3 LYS 61 HB3 LYS 61 11.751 -4.559 -6.107 520 HG2 LYS 61 HG2 LYS 61 13.887 -5.512 -5.515 521 HG3 LYS 61 HG3 LYS 61 13.702 -6.761 -6.748 522 HD2 LYS 61 HD2 LYS 61 13.880 -5.182 -8.505 523 HD3 LYS 61 HD3 LYS 61 13.694 -3.822 -7.396 524 HE2 LYS 61 HE2 LYS 61 15.881 -3.765 -6.982 525 HE3 LYS 61 HE3 LYS 61 15.921 -5.493 -6.632 526 HZ1 LYS 61 HZ1 LYS 61 15.659 -5.335 -9.353 527 HZ2 LYS 61 HZ2 LYS 61 16.760 -4.106 -8.977 528 HZ3 LYS 61 HZ3 LYS 61 17.074 -5.700 -8.502 529 H VAL 62 H VAL 62 10.348 -4.361 -4.616 530 HA VAL 62 HA VAL 62 11.741 -3.966 -2.268 531 HB VAL 62 HB VAL 62 8.871 -3.183 -2.797 532 HG11 VAL 62 HG11 VAL 62 9.000 -2.615 -0.617 533 HG12 VAL 62 HG12 VAL 62 10.764 -2.605 -0.613 534 HG13 VAL 62 HG13 VAL 62 9.875 -1.220 -1.249 535 HG21 VAL 62 HG21 VAL 62 11.475 -2.106 -3.712 536 HG22 VAL 62 HG22 VAL 62 9.904 -2.112 -4.514 537 HG23 VAL 62 HG23 VAL 62 10.239 -0.939 -3.241 538 H LYS 63 H LYS 63 8.623 -5.619 -2.695 539 HA LYS 63 HA LYS 63 8.029 -6.193 -0.063 540 HB2 LYS 63 HB2 LYS 63 6.418 -6.694 -1.743 541 HB3 LYS 63 HB3 LYS 63 7.524 -7.774 -2.581 542 HG2 LYS 63 HG2 LYS 63 7.033 -8.582 0.168 543 HG3 LYS 63 HG3 LYS 63 5.563 -8.517 -0.807 544 HD2 LYS 63 HD2 LYS 63 7.083 -9.784 -2.555 545 HD3 LYS 63 HD3 LYS 63 7.971 -10.245 -1.101 546 HE2 LYS 63 HE2 LYS 63 5.453 -10.740 -0.291 547 HE3 LYS 63 HE3 LYS 63 5.279 -11.036 -2.019 548 HZ1 LYS 63 HZ1 LYS 63 6.777 -12.529 -0.022 549 HZ2 LYS 63 HZ2 LYS 63 5.971 -13.077 -1.405 550 HZ3 LYS 63 HZ3 LYS 63 7.507 -12.380 -1.541 551 H GLN 64 H GLN 64 10.133 -7.978 -2.282 552 HA GLN 64 HA GLN 64 10.673 -10.169 -0.628 553 HB2 GLN 64 HB2 GLN 64 11.246 -9.973 -3.062 554 HB3 GLN 64 HB3 GLN 64 12.576 -8.915 -2.610 555 HG2 GLN 64 HG2 GLN 64 13.556 -10.727 -1.285 556 HG3 GLN 64 HG3 GLN 64 12.236 -11.786 -1.778 557 HE21 GLN 64 HE21 GLN 64 13.724 -13.220 -2.711 558 HE22 GLN 64 HE22 GLN 64 14.477 -12.879 -4.228 559 H GLU 65 H GLU 65 12.353 -7.061 -0.954 560 HA GLU 65 HA GLU 65 14.240 -7.736 1.129 561 HB2 GLU 65 HB2 GLU 65 14.064 -5.787 -0.957 562 HB3 GLU 65 HB3 GLU 65 14.297 -4.953 0.574 563 HG2 GLU 65 HG2 GLU 65 16.036 -7.273 0.197 564 HG3 GLU 65 HG3 GLU 65 16.282 -5.979 -0.975 565 H ALA 66 H ALA 66 11.086 -6.877 1.178 566 HA ALA 66 HA ALA 66 11.304 -5.162 3.548 567 HB1 ALA 66 HB1 ALA 66 8.999 -5.789 1.718 568 HB2 ALA 66 HB2 ALA 66 8.819 -4.895 3.227 569 HB3 ALA 66 HB3 ALA 66 9.829 -4.248 1.934 570 H ASN 67 H ASN 67 10.387 -8.345 2.517 571 HA ASN 67 HA ASN 67 9.858 -10.228 3.683 572 HB2 ASN 67 HB2 ASN 67 11.630 -9.150 5.274 573 HB3 ASN 67 HB3 ASN 67 10.236 -8.789 6.289 574 HD21 ASN 67 HD21 ASN 67 11.419 -10.190 7.791 575 HD22 ASN 67 HD22 ASN 67 11.166 -11.897 7.694 576 H VAL 68 H VAL 68 7.760 -8.803 2.791 577 HA VAL 68 HA VAL 68 5.750 -9.329 4.841 578 HB VAL 68 HB VAL 68 4.554 -7.189 4.183 579 HG11 VAL 68 HG11 VAL 68 7.024 -6.310 5.518 580 HG12 VAL 68 HG12 VAL 68 5.347 -6.222 6.056 581 HG13 VAL 68 HG13 VAL 68 6.248 -7.730 6.220 582 HG21 VAL 68 HG21 VAL 68 6.099 -6.850 2.180 583 HG22 VAL 68 HG22 VAL 68 5.725 -5.431 3.157 584 HG23 VAL 68 HG23 VAL 68 7.279 -6.243 3.342 585 H GLN 69 H GLN 69 3.481 -9.019 3.826 586 HA GLN 69 HA GLN 69 3.479 -10.532 1.347 587 HB2 GLN 69 HB2 GLN 69 1.554 -10.005 3.528 588 HB3 GLN 69 HB3 GLN 69 0.856 -10.207 1.927 589 HG2 GLN 69 HG2 GLN 69 2.813 -12.190 3.017 590 HG3 GLN 69 HG3 GLN 69 1.103 -12.266 3.437 591 HE21 GLN 69 HE21 GLN 69 -0.104 -13.485 2.186 592 HE22 GLN 69 HE22 GLN 69 0.234 -13.920 0.548 593 H VAL 70 H VAL 70 3.105 -9.700 -0.601 594 HA VAL 70 HA VAL 70 2.239 -6.897 -0.771 595 HB VAL 70 HB VAL 70 4.369 -7.293 -1.831 596 HG11 VAL 70 HG11 VAL 70 4.866 -9.231 -2.790 597 HG12 VAL 70 HG12 VAL 70 3.203 -9.770 -2.559 598 HG13 VAL 70 HG13 VAL 70 3.662 -8.936 -4.043 599 HG21 VAL 70 HG21 VAL 70 3.862 -6.543 -4.119 600 HG22 VAL 70 HG22 VAL 70 2.170 -6.974 -3.872 601 HG23 VAL 70 HG23 VAL 70 2.901 -5.687 -2.913 602 H TYR 71 H TYR 71 0.351 -6.360 -1.672 603 HA TYR 71 HA TYR 71 -1.085 -8.397 -3.237 604 HB2 TYR 71 HB2 TYR 71 -2.004 -6.834 -0.870 605 HB3 TYR 71 HB3 TYR 71 -3.170 -7.166 -2.146 606 HD1 TYR 71 HD1 TYR 71 -0.526 -9.053 -0.283 607 HD2 TYR 71 HD2 TYR 71 -4.499 -9.010 -1.806 608 HE1 TYR 71 HE1 TYR 71 -0.904 -11.296 0.653 609 HE2 TYR 71 HE2 TYR 71 -4.888 -11.252 -0.873 610 HH TYR 71 HH TYR 71 -3.784 -12.609 1.174 611 H ARG 72 H ARG 72 -2.129 -7.695 -5.037 612 HA ARG 72 HA ARG 72 -1.764 -4.863 -5.727 613 HB2 ARG 72 HB2 ARG 72 -1.834 -5.519 -8.033 614 HB3 ARG 72 HB3 ARG 72 -0.716 -6.591 -7.199 615 HG2 ARG 72 HG2 ARG 72 -2.324 -8.361 -7.180 616 HG3 ARG 72 HG3 ARG 72 -3.578 -7.291 -7.807 617 HD2 ARG 72 HD2 ARG 72 -3.001 -8.038 -9.829 618 HD3 ARG 72 HD3 ARG 72 -1.557 -7.042 -9.658 619 HE ARG 72 HE ARG 72 -0.316 -8.948 -9.419 620 HH11 ARG 72 HH11 ARG 72 -3.678 -9.712 -8.942 621 HH12 ARG 72 HH12 ARG 72 -3.416 -11.425 -8.887 622 HH21 ARG 72 HH21 ARG 72 0.042 -11.200 -9.349 623 HH22 ARG 72 HH22 ARG 72 -1.299 -12.269 -9.118 624 H VAL 73 H VAL 73 -3.455 -3.602 -6.397 625 HA VAL 73 HA VAL 73 -6.125 -4.655 -5.829 626 HB VAL 73 HB VAL 73 -5.093 -1.839 -6.146 627 HG11 VAL 73 HG11 VAL 73 -7.264 -1.850 -7.144 628 HG12 VAL 73 HG12 VAL 73 -7.928 -2.805 -5.818 629 HG13 VAL 73 HG13 VAL 73 -7.414 -1.143 -5.536 630 HG21 VAL 73 HG21 VAL 73 -6.241 -3.373 -3.817 631 HG22 VAL 73 HG22 VAL 73 -4.577 -2.820 -4.011 632 HG23 VAL 73 HG23 VAL 73 -5.877 -1.648 -3.796 633 H THR 74 H THR 74 -7.788 -4.648 -7.295 634 HA THR 74 HA THR 74 -7.036 -4.082 -10.088 635 HB THR 74 HB THR 74 -9.048 -5.697 -10.538 636 HG1 THR 74 HG1 THR 74 -9.503 -5.827 -8.207 637 HG21 THR 74 HG21 THR 74 -6.382 -6.712 -9.540 638 HG22 THR 74 HG22 THR 74 -7.510 -7.609 -10.556 639 HG23 THR 74 HG23 THR 74 -6.731 -6.154 -11.176 640 H SER 75 H SER 75 -9.322 -3.500 -7.556 641 HA SER 75 HA SER 75 -10.525 -1.361 -9.058 642 HB2 SER 75 HB2 SER 75 -12.881 -2.300 -8.609 643 HB3 SER 75 HB3 SER 75 -11.969 -3.001 -9.947 644 HG SER 75 HG SER 75 -12.742 -4.705 -8.802 645 H ASN 76 H ASN 76 -12.258 -0.256 -7.712 646 HA ASN 76 HA ASN 76 -11.229 0.507 -5.258 647 HB2 ASN 76 HB2 ASN 76 -14.106 0.649 -6.185 648 HB3 ASN 76 HB3 ASN 76 -13.424 1.562 -4.843 649 HD21 ASN 76 HD21 ASN 76 -14.340 1.811 -7.935 650 HD22 ASN 76 HD22 ASN 76 -13.299 3.082 -8.468 651 H ASP 77 H ASP 77 -13.642 -1.956 -6.003 652 HA ASP 77 HA ASP 77 -14.455 -2.535 -3.384 653 HB2 ASP 77 HB2 ASP 77 -14.667 -3.804 -6.018 654 HB3 ASP 77 HB3 ASP 77 -14.635 -4.955 -4.684 655 H GLU 78 H GLU 78 -11.563 -3.323 -5.105 656 HA GLU 78 HA GLU 78 -10.788 -5.512 -3.421 657 HB2 GLU 78 HB2 GLU 78 -9.857 -4.313 -5.834 658 HB3 GLU 78 HB3 GLU 78 -8.521 -4.344 -4.690 659 HG2 GLU 78 HG2 GLU 78 -10.193 -6.753 -5.344 660 HG3 GLU 78 HG3 GLU 78 -8.706 -6.336 -6.194 661 H VAL 79 H VAL 79 -10.323 -2.053 -3.437 662 HA VAL 79 HA VAL 79 -8.195 -1.985 -1.547 663 HB VAL 79 HB VAL 79 -10.189 0.172 -2.258 664 HG11 VAL 79 HG11 VAL 79 -8.185 0.054 -0.231 665 HG12 VAL 79 HG12 VAL 79 -7.703 1.236 -1.447 666 HG13 VAL 79 HG13 VAL 79 -9.267 1.384 -0.645 667 HG21 VAL 79 HG21 VAL 79 -9.111 -0.180 -4.252 668 HG22 VAL 79 HG22 VAL 79 -8.017 0.980 -3.500 669 HG23 VAL 79 HG23 VAL 79 -7.629 -0.740 -3.479 670 H GLU 80 H GLU 80 -11.706 -1.481 -1.275 671 HA GLU 80 HA GLU 80 -11.661 -1.081 1.541 672 HB2 GLU 80 HB2 GLU 80 -13.492 -0.180 0.284 673 HB3 GLU 80 HB3 GLU 80 -13.892 -1.761 -0.374 674 HG2 GLU 80 HG2 GLU 80 -15.148 -2.288 1.380 675 HG3 GLU 80 HG3 GLU 80 -13.930 -1.731 2.526 676 H GLN 81 H GLN 81 -11.942 -3.877 -0.529 677 HA GLN 81 HA GLN 81 -12.923 -5.687 1.417 678 HB2 GLN 81 HB2 GLN 81 -11.676 -5.909 -1.275 679 HB3 GLN 81 HB3 GLN 81 -11.663 -7.344 -0.257 680 HG2 GLN 81 HG2 GLN 81 -14.194 -5.819 -0.719 681 HG3 GLN 81 HG3 GLN 81 -13.610 -6.991 -1.900 682 HE21 GLN 81 HE21 GLN 81 -16.036 -7.132 -0.407 683 HE22 GLN 81 HE22 GLN 81 -15.958 -8.556 0.568 684 H VAL 82 H VAL 82 -9.635 -5.178 0.134 685 HA VAL 82 HA VAL 82 -8.339 -6.971 1.855 686 HB VAL 82 HB VAL 82 -6.269 -5.692 1.337 687 HG11 VAL 82 HG11 VAL 82 -8.141 -6.643 -0.782 688 HG12 VAL 82 HG12 VAL 82 -6.602 -5.921 -1.250 689 HG13 VAL 82 HG13 VAL 82 -6.628 -7.350 -0.216 690 HG21 VAL 82 HG21 VAL 82 -8.273 -3.795 0.182 691 HG22 VAL 82 HG22 VAL 82 -6.858 -3.459 1.179 692 HG23 VAL 82 HG23 VAL 82 -6.657 -3.908 -0.514 693 H VAL 83 H VAL 83 -8.979 -3.501 2.171 694 HA VAL 83 HA VAL 83 -7.574 -3.157 4.606 695 HB VAL 83 HB VAL 83 -9.817 -1.532 3.401 696 HG11 VAL 83 HG11 VAL 83 -9.785 -1.096 5.755 697 HG12 VAL 83 HG12 VAL 83 -8.027 -0.951 5.756 698 HG13 VAL 83 HG13 VAL 83 -9.011 0.262 4.938 699 HG21 VAL 83 HG21 VAL 83 -8.194 -0.175 2.442 700 HG22 VAL 83 HG22 VAL 83 -6.927 -0.754 3.525 701 HG23 VAL 83 HG23 VAL 83 -7.526 -1.793 2.231 702 H LYS 84 H LYS 84 -11.009 -3.685 3.874 703 HA LYS 84 HA LYS 84 -12.141 -3.466 6.349 704 HB2 LYS 84 HB2 LYS 84 -12.720 -5.109 3.952 705 HB3 LYS 84 HB3 LYS 84 -13.507 -5.607 5.445 706 HG2 LYS 84 HG2 LYS 84 -14.682 -3.597 5.634 707 HG3 LYS 84 HG3 LYS 84 -13.628 -2.770 4.485 708 HD2 LYS 84 HD2 LYS 84 -15.632 -3.192 3.317 709 HD3 LYS 84 HD3 LYS 84 -14.487 -4.408 2.745 710 HE2 LYS 84 HE2 LYS 84 -16.206 -5.812 3.160 711 HE3 LYS 84 HE3 LYS 84 -15.581 -5.739 4.807 712 HZ1 LYS 84 HZ1 LYS 84 -17.196 -3.657 4.857 713 HZ2 LYS 84 HZ2 LYS 84 -18.006 -4.574 3.688 714 HZ3 LYS 84 HZ3 LYS 84 -17.725 -5.221 5.226 715 H ASP 85 H ASP 85 -10.903 -6.533 5.005 716 HA ASP 85 HA ASP 85 -11.019 -7.842 7.550 717 HB2 ASP 85 HB2 ASP 85 -9.807 -8.640 4.900 718 HB3 ASP 85 HB3 ASP 85 -9.788 -9.677 6.324 719 H VAL 86 H VAL 86 -8.755 -5.830 5.987 720 HA VAL 86 HA VAL 86 -6.499 -5.444 6.305 721 HB VAL 86 HB VAL 86 -6.231 -5.275 9.015 722 HG11 VAL 86 HG11 VAL 86 -7.501 -2.916 8.368 723 HG12 VAL 86 HG12 VAL 86 -5.784 -3.263 8.158 724 HG13 VAL 86 HG13 VAL 86 -6.903 -3.498 6.815 725 HG21 VAL 86 HG21 VAL 86 -9.154 -4.850 8.399 726 HG22 VAL 86 HG22 VAL 86 -8.486 -6.149 9.389 727 HG23 VAL 86 HG23 VAL 86 -8.351 -4.474 9.923 728 H LYS 87 H LYS 87 -5.814 -7.571 5.562 729 HA LYS 87 HA LYS 87 -3.952 -8.770 7.259 730 HB2 LYS 87 HB2 LYS 87 -6.633 -9.773 7.586 731 HB3 LYS 87 HB3 LYS 87 -5.592 -11.041 6.954 732 HG2 LYS 87 HG2 LYS 87 -4.486 -11.262 8.884 733 HG3 LYS 87 HG3 LYS 87 -4.415 -9.519 9.157 734 HD2 LYS 87 HD2 LYS 87 -5.847 -10.001 10.837 735 HD3 LYS 87 HD3 LYS 87 -7.047 -9.955 9.543 736 HE2 LYS 87 HE2 LYS 87 -6.780 -12.395 9.260 737 HE3 LYS 87 HE3 LYS 87 -5.657 -12.406 10.620 738 HZ1 LYS 87 HZ1 LYS 87 -8.361 -12.720 10.768 739 HZ2 LYS 87 HZ2 LYS 87 -7.330 -12.372 12.064 740 HZ3 LYS 87 HZ3 LYS 87 -8.129 -11.118 11.258 741 H GLY 88 H GLY 88 -2.945 -10.717 6.287 742 HA2 GLY 88 HA2 GLY 88 -3.602 -11.084 3.446 743 HA3 GLY 88 HA3 GLY 88 -1.971 -10.599 3.883 744 H SER 89 H SER 89 -4.395 -13.129 4.412 745 HA SER 89 HA SER 89 -2.204 -15.082 4.514 746 HB2 SER 89 HB2 SER 89 -3.365 -16.313 6.304 747 HB3 SER 89 HB3 SER 89 -2.933 -14.685 6.825 748 HG SER 89 HG SER 89 -5.147 -14.113 6.191 749 H GLY 90 H GLY 90 -3.182 -14.899 2.177 750 HA2 GLY 90 HA2 GLY 90 -4.012 -17.097 1.106 751 HA3 GLY 90 HA3 GLY 90 -5.508 -16.686 1.932 752 H LEU 91 H LEU 91 -4.352 -16.786 -0.998 753 HA LEU 91 HA LEU 91 -5.367 -14.162 -1.845 754 HB2 LEU 91 HB2 LEU 91 -4.207 -14.518 -3.925 755 HB3 LEU 91 HB3 LEU 91 -3.099 -14.752 -2.575 756 HG LEU 91 HG LEU 91 -4.381 -17.193 -3.629 757 HD11 LEU 91 HD11 LEU 91 -3.901 -16.789 -5.766 758 HD12 LEU 91 HD12 LEU 91 -2.989 -15.332 -5.368 759 HD13 LEU 91 HD13 LEU 91 -2.205 -16.910 -5.301 760 HD21 LEU 91 HD21 LEU 91 -2.647 -18.146 -2.610 761 HD22 LEU 91 HD22 LEU 91 -1.492 -17.098 -3.434 762 HD23 LEU 91 HD23 LEU 91 -2.274 -16.554 -1.949 763 H GLU 92 H GLU 92 -7.160 -16.224 -1.028 764 HA GLU 92 HA GLU 92 -8.866 -16.276 -3.329 765 HB2 GLU 92 HB2 GLU 92 -7.208 -18.576 -2.753 766 HB3 GLU 92 HB3 GLU 92 -8.913 -18.988 -2.625 767 HG2 GLU 92 HG2 GLU 92 -9.218 -18.895 -4.828 768 HG3 GLU 92 HG3 GLU 92 -8.292 -17.402 -4.986 769 H HIS 93 H HIS 93 -10.966 -17.414 -2.814 770 HA HIS 93 HA HIS 93 -11.934 -16.474 -0.317 771 HB2 HIS 93 HB2 HIS 93 -13.078 -17.176 -2.727 772 HB3 HIS 93 HB3 HIS 93 -13.620 -18.463 -1.654 773 HD1 HIS 93 HD1 HIS 93 -15.545 -17.936 -0.157 774 HD2 HIS 93 HD2 HIS 93 -13.825 -14.519 -1.778 775 HE1 HIS 93 HE1 HIS 93 -17.055 -16.039 0.515 776 H HIS 94 H HIS 94 -13.605 -18.294 0.728 777 HA HIS 94 HA HIS 94 -11.849 -20.519 1.537 778 HB2 HIS 94 HB2 HIS 94 -12.929 -18.444 3.137 779 HB3 HIS 94 HB3 HIS 94 -13.784 -19.922 3.568 780 HD1 HIS 94 HD1 HIS 94 -11.357 -21.875 3.216 781 HD2 HIS 94 HD2 HIS 94 -11.281 -18.296 5.325 782 HE1 HIS 94 HE1 HIS 94 -9.466 -22.103 4.858 783 H HIS 95 H HIS 95 -13.515 -22.028 3.010 784 HA HIS 95 HA HIS 95 -15.075 -23.677 2.846 785 HB2 HIS 95 HB2 HIS 95 -16.606 -21.511 1.392 786 HB3 HIS 95 HB3 HIS 95 -17.303 -23.023 1.966 787 HD1 HIS 95 HD1 HIS 95 -16.542 -23.296 4.761 788 HD2 HIS 95 HD2 HIS 95 -17.267 -19.552 3.113 789 HE1 HIS 95 HE1 HIS 95 -17.074 -21.796 6.708 790 H HIS 96 H HIS 96 -16.715 -24.672 1.033 791 HA HIS 96 HA HIS 96 -16.788 -25.965 -0.839 792 HB2 HIS 96 HB2 HIS 96 -16.470 -23.372 -1.681 793 HB3 HIS 96 HB3 HIS 96 -15.148 -24.192 -2.509 794 HD1 HIS 96 HD1 HIS 96 -16.062 -24.265 -4.842 795 HD2 HIS 96 HD2 HIS 96 -18.752 -25.723 -2.031 796 HE1 HIS 96 HE1 HIS 96 -17.957 -25.249 -6.171 797 H HIS 97 H HIS 97 -15.157 -26.621 -2.843 798 HA HIS 97 HA HIS 97 -13.411 -27.992 -3.347 799 HB2 HIS 97 HB2 HIS 97 -11.890 -26.120 -1.521 800 HB3 HIS 97 HB3 HIS 97 -11.184 -27.190 -2.728 801 HD1 HIS 97 HD1 HIS 97 -12.564 -26.638 -5.239 802 HD2 HIS 97 HD2 HIS 97 -11.853 -23.609 -2.487 803 HE1 HIS 97 HE1 HIS 97 -12.667 -24.497 -6.554 804 H HIS 98 H HIS 98 -15.050 -28.891 -1.248 805 HA HIS 98 HA HIS 98 -13.094 -30.403 0.349 806 HB2 HIS 98 HB2 HIS 98 -14.352 -28.663 1.677 807 HB3 HIS 98 HB3 HIS 98 -15.824 -29.567 1.336 808 HD1 HIS 98 HD1 HIS 98 -12.429 -30.884 2.428 809 HD2 HIS 98 HD2 HIS 98 -16.380 -30.756 3.708 810 HE1 HIS 98 HE1 HIS 98 -12.505 -32.284 4.516 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -3.072 -8.460 10.175 2 HA2 GLY 1 HA2 GLY 1 -4.026 -7.457 12.224 3 HA3 GLY 1 HA3 GLY 1 -2.377 -7.339 12.821 4 H ARG 2 H ARG 2 -0.937 -6.204 10.950 5 HA ARG 2 HA ARG 2 -2.144 -3.564 10.688 6 HB2 ARG 2 HB2 ARG 2 0.633 -4.635 10.704 7 HB3 ARG 2 HB3 ARG 2 0.339 -3.152 9.807 8 HG2 ARG 2 HG2 ARG 2 -0.861 -3.101 12.449 9 HG3 ARG 2 HG3 ARG 2 0.885 -3.355 12.497 10 HD2 ARG 2 HD2 ARG 2 1.335 -1.335 11.442 11 HD3 ARG 2 HD3 ARG 2 -0.289 -1.218 10.763 12 HE ARG 2 HE ARG 2 -0.631 -1.100 13.482 13 HH11 ARG 2 HH11 ARG 2 1.134 0.722 11.099 14 HH12 ARG 2 HH12 ARG 2 1.028 2.215 11.972 15 HH21 ARG 2 HH21 ARG 2 -0.778 0.859 14.641 16 HH22 ARG 2 HH22 ARG 2 -0.059 2.291 13.988 17 H VAL 3 H VAL 3 -2.222 -2.412 8.735 18 HA VAL 3 HA VAL 3 -1.554 -3.786 6.263 19 HB VAL 3 HB VAL 3 -4.389 -2.919 6.852 20 HG11 VAL 3 HG11 VAL 3 -3.003 -3.792 4.345 21 HG12 VAL 3 HG12 VAL 3 -4.729 -4.083 4.568 22 HG13 VAL 3 HG13 VAL 3 -4.102 -2.435 4.600 23 HG21 VAL 3 HG21 VAL 3 -3.209 -5.659 6.397 24 HG22 VAL 3 HG22 VAL 3 -3.849 -5.033 7.917 25 HG23 VAL 3 HG23 VAL 3 -4.930 -5.301 6.549 26 H VAL 4 H VAL 4 -1.298 -2.413 4.509 27 HA VAL 4 HA VAL 4 -1.784 0.448 4.968 28 HB VAL 4 HB VAL 4 0.801 -0.748 3.960 29 HG11 VAL 4 HG11 VAL 4 0.590 1.137 2.640 30 HG12 VAL 4 HG12 VAL 4 -0.276 2.039 3.883 31 HG13 VAL 4 HG13 VAL 4 1.459 1.765 4.040 32 HG21 VAL 4 HG21 VAL 4 1.815 0.166 5.906 33 HG22 VAL 4 HG22 VAL 4 0.348 1.045 6.337 34 HG23 VAL 4 HG23 VAL 4 0.385 -0.715 6.443 35 H VAL 5 H VAL 5 -2.511 1.552 3.229 36 HA VAL 5 HA VAL 5 -2.844 0.029 0.735 37 HB VAL 5 HB VAL 5 -4.349 2.507 1.573 38 HG11 VAL 5 HG11 VAL 5 -5.134 2.474 -0.503 39 HG12 VAL 5 HG12 VAL 5 -4.179 1.037 -0.866 40 HG13 VAL 5 HG13 VAL 5 -5.806 0.870 -0.206 41 HG21 VAL 5 HG21 VAL 5 -5.244 1.128 3.121 42 HG22 VAL 5 HG22 VAL 5 -6.175 0.532 1.746 43 HG23 VAL 5 HG23 VAL 5 -4.731 -0.331 2.274 44 H VAL 6 H VAL 6 -1.955 0.712 -1.122 45 HA VAL 6 HA VAL 6 -0.740 3.395 -1.176 46 HB VAL 6 HB VAL 6 0.461 0.874 -2.331 47 HG11 VAL 6 HG11 VAL 6 2.446 2.576 -2.550 48 HG12 VAL 6 HG12 VAL 6 1.196 2.485 -3.791 49 HG13 VAL 6 HG13 VAL 6 1.144 3.765 -2.578 50 HG21 VAL 6 HG21 VAL 6 1.586 0.612 -0.429 51 HG22 VAL 6 HG22 VAL 6 2.098 2.299 -0.437 52 HG23 VAL 6 HG23 VAL 6 0.553 1.851 0.286 53 H VAL 7 H VAL 7 -0.822 4.505 -3.110 54 HA VAL 7 HA VAL 7 -2.234 3.205 -5.339 55 HB VAL 7 HB VAL 7 -3.496 5.293 -5.741 56 HG11 VAL 7 HG11 VAL 7 -3.843 3.762 -3.196 57 HG12 VAL 7 HG12 VAL 7 -4.943 5.081 -3.598 58 HG13 VAL 7 HG13 VAL 7 -4.793 3.696 -4.680 59 HG21 VAL 7 HG21 VAL 7 -3.637 6.793 -3.608 60 HG22 VAL 7 HG22 VAL 7 -2.030 6.143 -3.283 61 HG23 VAL 7 HG23 VAL 7 -2.335 7.035 -4.773 62 H THR 8 H THR 8 -2.104 4.596 -7.365 63 HA THR 8 HA THR 8 0.652 5.579 -7.613 64 HB THR 8 HB THR 8 0.294 3.829 -9.160 65 HG1 THR 8 HG1 THR 8 0.406 4.977 -11.181 66 HG21 THR 8 HG21 THR 8 -2.119 3.680 -9.082 67 HG22 THR 8 HG22 THR 8 -2.275 5.227 -9.915 68 HG23 THR 8 HG23 THR 8 -1.604 3.833 -10.762 69 H SER 9 H SER 9 -2.601 6.603 -7.623 70 HA SER 9 HA SER 9 -1.791 9.217 -8.719 71 HB2 SER 9 HB2 SER 9 -3.725 7.539 -9.773 72 HB3 SER 9 HB3 SER 9 -4.664 8.683 -8.816 73 HG SER 9 HG SER 9 -3.476 9.054 -11.190 74 H GLU 10 H GLU 10 -2.501 11.055 -7.662 75 HA GLU 10 HA GLU 10 -2.857 10.879 -4.883 76 HB2 GLU 10 HB2 GLU 10 -3.187 13.277 -4.929 77 HB3 GLU 10 HB3 GLU 10 -1.899 12.843 -6.044 78 HG2 GLU 10 HG2 GLU 10 -3.994 12.792 -7.721 79 HG3 GLU 10 HG3 GLU 10 -4.550 14.007 -6.570 80 H GLN 11 H GLN 11 -5.143 11.132 -7.525 81 HA GLN 11 HA GLN 11 -7.433 11.885 -6.146 82 HB2 GLN 11 HB2 GLN 11 -6.807 10.653 -8.704 83 HB3 GLN 11 HB3 GLN 11 -8.323 10.056 -8.042 84 HG2 GLN 11 HG2 GLN 11 -8.758 12.627 -7.649 85 HG3 GLN 11 HG3 GLN 11 -7.593 12.779 -8.964 86 HE21 GLN 11 HE21 GLN 11 -10.577 11.107 -8.063 87 HE22 GLN 11 HE22 GLN 11 -11.253 11.088 -9.653 88 H VAL 12 H VAL 12 -6.251 8.595 -6.823 89 HA VAL 12 HA VAL 12 -8.280 7.243 -5.422 90 HB VAL 12 HB VAL 12 -5.459 6.238 -5.771 91 HG11 VAL 12 HG11 VAL 12 -6.493 4.051 -5.794 92 HG12 VAL 12 HG12 VAL 12 -6.968 4.918 -4.332 93 HG13 VAL 12 HG13 VAL 12 -8.096 4.776 -5.681 94 HG21 VAL 12 HG21 VAL 12 -6.684 5.183 -7.883 95 HG22 VAL 12 HG22 VAL 12 -7.611 6.680 -7.765 96 HG23 VAL 12 HG23 VAL 12 -5.859 6.740 -7.956 97 H LYS 13 H LYS 13 -5.207 8.598 -4.395 98 HA LYS 13 HA LYS 13 -5.009 7.392 -1.876 99 HB2 LYS 13 HB2 LYS 13 -3.173 8.646 -2.912 100 HB3 LYS 13 HB3 LYS 13 -4.085 10.139 -2.741 101 HG2 LYS 13 HG2 LYS 13 -3.756 8.689 -0.232 102 HG3 LYS 13 HG3 LYS 13 -2.232 9.188 -0.970 103 HD2 LYS 13 HD2 LYS 13 -2.618 11.370 -0.577 104 HD3 LYS 13 HD3 LYS 13 -4.329 11.242 -0.989 105 HE2 LYS 13 HE2 LYS 13 -4.523 9.983 1.267 106 HE3 LYS 13 HE3 LYS 13 -2.966 10.728 1.628 107 HZ1 LYS 13 HZ1 LYS 13 -4.048 12.901 1.065 108 HZ2 LYS 13 HZ2 LYS 13 -5.533 12.089 1.051 109 HZ3 LYS 13 HZ3 LYS 13 -4.621 12.156 2.474 110 H GLU 14 H GLU 14 -6.411 10.546 -2.767 111 HA GLU 14 HA GLU 14 -7.276 11.290 -0.224 112 HB2 GLU 14 HB2 GLU 14 -7.952 12.053 -3.003 113 HB3 GLU 14 HB3 GLU 14 -9.161 12.440 -1.785 114 HG2 GLU 14 HG2 GLU 14 -7.675 13.826 -0.601 115 HG3 GLU 14 HG3 GLU 14 -6.278 13.217 -1.486 116 H GLU 15 H GLU 15 -8.858 9.324 -2.693 117 HA GLU 15 HA GLU 15 -11.352 9.101 -1.370 118 HB2 GLU 15 HB2 GLU 15 -11.559 8.516 -3.577 119 HB3 GLU 15 HB3 GLU 15 -9.997 7.711 -3.622 120 HG2 GLU 15 HG2 GLU 15 -10.837 5.741 -2.755 121 HG3 GLU 15 HG3 GLU 15 -12.248 6.532 -2.055 122 H VAL 16 H VAL 16 -8.410 7.154 -1.324 123 HA VAL 16 HA VAL 16 -9.478 5.045 0.254 124 HB VAL 16 HB VAL 16 -6.606 5.891 -0.154 125 HG11 VAL 16 HG11 VAL 16 -7.760 3.976 1.637 126 HG12 VAL 16 HG12 VAL 16 -6.787 3.145 0.422 127 HG13 VAL 16 HG13 VAL 16 -6.066 4.413 1.413 128 HG21 VAL 16 HG21 VAL 16 -8.323 4.929 -2.028 129 HG22 VAL 16 HG22 VAL 16 -6.574 4.700 -2.061 130 HG23 VAL 16 HG23 VAL 16 -7.618 3.437 -1.407 131 H ARG 17 H ARG 17 -7.377 7.809 1.051 132 HA ARG 17 HA ARG 17 -7.151 7.323 3.786 133 HB2 ARG 17 HB2 ARG 17 -5.744 8.943 2.632 134 HB3 ARG 17 HB3 ARG 17 -7.142 9.960 2.310 135 HG2 ARG 17 HG2 ARG 17 -6.830 9.380 5.135 136 HG3 ARG 17 HG3 ARG 17 -5.415 10.176 4.444 137 HD2 ARG 17 HD2 ARG 17 -6.504 12.118 4.145 138 HD3 ARG 17 HD3 ARG 17 -7.977 11.318 3.598 139 HE ARG 17 HE ARG 17 -8.793 11.439 5.733 140 HH11 ARG 17 HH11 ARG 17 -5.362 12.027 5.786 141 HH12 ARG 17 HH12 ARG 17 -5.334 12.489 7.457 142 HH21 ARG 17 HH21 ARG 17 -8.771 12.044 7.933 143 HH22 ARG 17 HH22 ARG 17 -7.274 12.496 8.677 144 H LYS 18 H LYS 18 -9.708 8.825 1.935 145 HA LYS 18 HA LYS 18 -11.086 9.942 4.173 146 HB2 LYS 18 HB2 LYS 18 -11.272 10.602 1.690 147 HB3 LYS 18 HB3 LYS 18 -12.362 9.229 1.543 148 HG2 LYS 18 HG2 LYS 18 -13.882 10.196 3.134 149 HG3 LYS 18 HG3 LYS 18 -12.755 11.514 3.463 150 HD2 LYS 18 HD2 LYS 18 -14.348 12.420 1.988 151 HD3 LYS 18 HD3 LYS 18 -12.936 12.075 0.985 152 HE2 LYS 18 HE2 LYS 18 -14.538 9.745 1.021 153 HE3 LYS 18 HE3 LYS 18 -15.611 11.110 0.722 154 HZ1 LYS 18 HZ1 LYS 18 -14.708 11.491 -1.285 155 HZ2 LYS 18 HZ2 LYS 18 -13.136 11.106 -0.790 156 HZ3 LYS 18 HZ3 LYS 18 -14.225 9.873 -1.183 157 H LYS 19 H LYS 19 -11.299 6.923 2.367 158 HA LYS 19 HA LYS 19 -13.664 5.971 3.598 159 HB2 LYS 19 HB2 LYS 19 -11.509 4.816 1.915 160 HB3 LYS 19 HB3 LYS 19 -12.459 3.685 2.869 161 HG2 LYS 19 HG2 LYS 19 -14.510 4.771 1.855 162 HG3 LYS 19 HG3 LYS 19 -13.406 5.564 0.729 163 HD2 LYS 19 HD2 LYS 19 -12.993 2.672 1.009 164 HD3 LYS 19 HD3 LYS 19 -14.558 3.126 0.331 165 HE2 LYS 19 HE2 LYS 19 -13.467 4.433 -1.391 166 HE3 LYS 19 HE3 LYS 19 -11.888 4.105 -0.678 167 HZ1 LYS 19 HZ1 LYS 19 -12.820 2.697 -2.675 168 HZ2 LYS 19 HZ2 LYS 19 -11.865 1.991 -1.469 169 HZ3 LYS 19 HZ3 LYS 19 -13.547 1.816 -1.427 170 H PHE 20 H PHE 20 -10.226 5.531 4.314 171 HA PHE 20 HA PHE 20 -10.969 4.670 7.014 172 HB2 PHE 20 HB2 PHE 20 -8.822 3.290 5.395 173 HB3 PHE 20 HB3 PHE 20 -9.383 2.854 7.005 174 HD1 PHE 20 HD1 PHE 20 -9.651 2.138 3.590 175 HD2 PHE 20 HD2 PHE 20 -11.953 2.313 7.166 176 HE1 PHE 20 HE1 PHE 20 -11.306 0.615 2.595 177 HE2 PHE 20 HE2 PHE 20 -13.611 0.788 6.177 178 HZ PHE 20 HZ PHE 20 -13.289 -0.063 3.887 179 HA PRO 21 HA PRO 21 -7.770 8.008 7.050 180 HB2 PRO 21 HB2 PRO 21 -8.914 9.385 9.091 181 HB3 PRO 21 HB3 PRO 21 -9.384 9.605 7.401 182 HG2 PRO 21 HG2 PRO 21 -10.710 7.984 9.539 183 HG3 PRO 21 HG3 PRO 21 -11.444 9.048 8.324 184 HD2 PRO 21 HD2 PRO 21 -11.382 6.354 8.056 185 HD3 PRO 21 HD3 PRO 21 -11.308 7.454 6.664 186 H GLN 22 H GLN 22 -9.225 6.035 9.565 187 HA GLN 22 HA GLN 22 -7.269 6.552 11.560 188 HB2 GLN 22 HB2 GLN 22 -9.514 4.661 11.191 189 HB3 GLN 22 HB3 GLN 22 -8.239 4.138 12.283 190 HG2 GLN 22 HG2 GLN 22 -8.512 6.243 13.546 191 HG3 GLN 22 HG3 GLN 22 -9.861 6.663 12.493 192 HE21 GLN 22 HE21 GLN 22 -11.811 6.079 13.129 193 HE22 GLN 22 HE22 GLN 22 -12.172 4.879 14.318 194 H VAL 23 H VAL 23 -7.437 4.408 8.840 195 HA VAL 23 HA VAL 23 -5.278 2.714 9.749 196 HB VAL 23 HB VAL 23 -7.284 2.176 8.091 197 HG11 VAL 23 HG11 VAL 23 -6.130 3.944 6.508 198 HG12 VAL 23 HG12 VAL 23 -5.159 2.547 6.042 199 HG13 VAL 23 HG13 VAL 23 -6.914 2.505 5.859 200 HG21 VAL 23 HG21 VAL 23 -4.853 0.960 8.806 201 HG22 VAL 23 HG22 VAL 23 -6.300 0.185 8.159 202 HG23 VAL 23 HG23 VAL 23 -5.029 0.733 7.067 203 H GLU 24 H GLU 24 -3.421 2.341 8.145 204 HA GLU 24 HA GLU 24 -2.122 4.898 7.742 205 HB2 GLU 24 HB2 GLU 24 -1.268 2.056 7.844 206 HB3 GLU 24 HB3 GLU 24 -0.287 3.146 6.874 207 HG2 GLU 24 HG2 GLU 24 -0.782 4.450 9.321 208 HG3 GLU 24 HG3 GLU 24 -0.325 2.790 9.701 209 H VAL 25 H VAL 25 -1.849 5.909 5.855 210 HA VAL 25 HA VAL 25 -2.317 4.412 3.367 211 HB VAL 25 HB VAL 25 -4.360 5.644 3.821 212 HG11 VAL 25 HG11 VAL 25 -2.762 8.191 3.742 213 HG12 VAL 25 HG12 VAL 25 -4.461 7.979 4.170 214 HG13 VAL 25 HG13 VAL 25 -3.198 7.382 5.248 215 HG21 VAL 25 HG21 VAL 25 -2.787 5.871 1.499 216 HG22 VAL 25 HG22 VAL 25 -4.540 6.007 1.636 217 HG23 VAL 25 HG23 VAL 25 -3.531 7.449 1.758 218 H ARG 26 H ARG 26 -0.720 4.646 1.950 219 HA ARG 26 HA ARG 26 0.821 7.136 1.911 220 HB2 ARG 26 HB2 ARG 26 1.949 4.361 2.248 221 HB3 ARG 26 HB3 ARG 26 2.913 5.694 1.625 222 HG2 ARG 26 HG2 ARG 26 1.481 6.215 4.145 223 HG3 ARG 26 HG3 ARG 26 2.783 5.024 4.221 224 HD2 ARG 26 HD2 ARG 26 3.955 6.949 4.631 225 HD3 ARG 26 HD3 ARG 26 4.100 6.855 2.877 226 HE ARG 26 HE ARG 26 1.858 8.339 3.265 227 HH11 ARG 26 HH11 ARG 26 5.146 8.564 4.389 228 HH12 ARG 26 HH12 ARG 26 5.127 10.293 4.500 229 HH21 ARG 26 HH21 ARG 26 1.822 10.616 3.407 230 HH22 ARG 26 HH22 ARG 26 3.236 11.460 3.942 231 H VAL 27 H VAL 27 0.733 7.893 -0.089 232 HA VAL 27 HA VAL 27 0.257 6.075 -2.319 233 HB VAL 27 HB VAL 27 -1.158 8.010 -2.288 234 HG11 VAL 27 HG11 VAL 27 -0.182 10.301 -2.485 235 HG12 VAL 27 HG12 VAL 27 0.111 9.516 -0.932 236 HG13 VAL 27 HG13 VAL 27 1.398 9.599 -2.137 237 HG21 VAL 27 HG21 VAL 27 0.963 8.392 -4.401 238 HG22 VAL 27 HG22 VAL 27 -0.361 7.229 -4.483 239 HG23 VAL 27 HG23 VAL 27 -0.707 8.959 -4.475 240 H VAL 28 H VAL 28 1.728 5.555 -3.821 241 HA VAL 28 HA VAL 28 4.295 7.005 -3.807 242 HB VAL 28 HB VAL 28 4.045 4.063 -4.405 243 HG11 VAL 28 HG11 VAL 28 6.399 4.012 -4.236 244 HG12 VAL 28 HG12 VAL 28 6.020 5.428 -5.216 245 HG13 VAL 28 HG13 VAL 28 6.459 5.622 -3.519 246 HG21 VAL 28 HG21 VAL 28 4.743 5.361 -1.772 247 HG22 VAL 28 HG22 VAL 28 3.299 4.409 -2.116 248 HG23 VAL 28 HG23 VAL 28 4.887 3.642 -2.136 249 H THR 29 H THR 29 5.256 7.403 -5.769 250 HA THR 29 HA THR 29 3.726 6.613 -8.161 251 HB THR 29 HB THR 29 4.423 8.777 -9.189 252 HG1 THR 29 HG1 THR 29 5.861 9.898 -8.131 253 HG21 THR 29 HG21 THR 29 2.890 9.285 -6.651 254 HG22 THR 29 HG22 THR 29 2.685 10.046 -8.228 255 HG23 THR 29 HG23 THR 29 2.204 8.366 -7.991 256 H THR 30 H THR 30 6.842 7.167 -6.695 257 HA THR 30 HA THR 30 8.122 5.976 -9.069 258 HB THR 30 HB THR 30 10.032 7.399 -7.468 259 HG1 THR 30 HG1 THR 30 9.197 9.477 -7.644 260 HG21 THR 30 HG21 THR 30 9.081 8.227 -10.189 261 HG22 THR 30 HG22 THR 30 10.712 8.270 -9.521 262 HG23 THR 30 HG23 THR 30 9.983 6.728 -9.967 263 H GLU 31 H GLU 31 10.331 5.005 -8.461 264 HA GLU 31 HA GLU 31 9.876 2.958 -6.549 265 HB2 GLU 31 HB2 GLU 31 12.478 3.728 -7.879 266 HB3 GLU 31 HB3 GLU 31 12.118 2.193 -7.101 267 HG2 GLU 31 HG2 GLU 31 10.617 1.563 -8.793 268 HG3 GLU 31 HG3 GLU 31 10.545 3.198 -9.447 269 H GLU 32 H GLU 32 11.971 5.819 -6.588 270 HA GLU 32 HA GLU 32 13.293 5.396 -4.173 271 HB2 GLU 32 HB2 GLU 32 12.989 7.537 -6.052 272 HB3 GLU 32 HB3 GLU 32 12.832 8.180 -4.425 273 HG2 GLU 32 HG2 GLU 32 14.975 7.368 -3.806 274 HG3 GLU 32 HG3 GLU 32 15.116 6.432 -5.293 275 H ASP 33 H ASP 33 10.169 6.902 -4.829 276 HA ASP 33 HA ASP 33 9.653 7.874 -2.248 277 HB2 ASP 33 HB2 ASP 33 7.912 7.107 -4.570 278 HB3 ASP 33 HB3 ASP 33 7.183 7.548 -3.028 279 H ALA 34 H ALA 34 8.702 4.803 -3.774 280 HA ALA 34 HA ALA 34 7.293 3.694 -1.662 281 HB1 ALA 34 HB1 ALA 34 7.165 1.904 -2.988 282 HB2 ALA 34 HB2 ALA 34 8.089 2.847 -4.156 283 HB3 ALA 34 HB3 ALA 34 8.918 1.732 -3.070 284 H LYS 35 H LYS 35 10.776 3.650 -2.292 285 HA LYS 35 HA LYS 35 11.578 1.898 -0.294 286 HB2 LYS 35 HB2 LYS 35 12.869 3.374 -2.169 287 HB3 LYS 35 HB3 LYS 35 13.312 4.253 -0.712 288 HG2 LYS 35 HG2 LYS 35 13.823 1.769 0.124 289 HG3 LYS 35 HG3 LYS 35 14.084 1.547 -1.607 290 HD2 LYS 35 HD2 LYS 35 16.153 2.308 -1.202 291 HD3 LYS 35 HD3 LYS 35 15.395 3.901 -1.118 292 HE2 LYS 35 HE2 LYS 35 15.508 3.985 1.162 293 HE3 LYS 35 HE3 LYS 35 15.406 2.234 1.341 294 HZ1 LYS 35 HZ1 LYS 35 17.797 3.134 0.012 295 HZ2 LYS 35 HZ2 LYS 35 17.660 3.690 1.604 296 HZ3 LYS 35 HZ3 LYS 35 17.615 2.030 1.282 297 H GLN 36 H GLN 36 11.404 5.456 -0.108 298 HA GLN 36 HA GLN 36 12.064 5.696 2.588 299 HB2 GLN 36 HB2 GLN 36 10.265 7.463 0.921 300 HB3 GLN 36 HB3 GLN 36 10.957 7.906 2.477 301 HG2 GLN 36 HG2 GLN 36 13.052 7.032 0.757 302 HG3 GLN 36 HG3 GLN 36 12.070 8.223 -0.094 303 HE21 GLN 36 HE21 GLN 36 13.501 9.884 -0.045 304 HE22 GLN 36 HE22 GLN 36 14.020 10.666 1.404 305 H VAL 37 H VAL 37 8.987 5.026 1.037 306 HA VAL 37 HA VAL 37 7.370 5.376 3.347 307 HB VAL 37 HB VAL 37 6.840 3.731 0.868 308 HG11 VAL 37 HG11 VAL 37 4.424 4.140 1.583 309 HG12 VAL 37 HG12 VAL 37 5.343 2.938 2.490 310 HG13 VAL 37 HG13 VAL 37 5.088 4.547 3.166 311 HG21 VAL 37 HG21 VAL 37 6.582 5.679 -0.170 312 HG22 VAL 37 HG22 VAL 37 5.268 6.064 0.942 313 HG23 VAL 37 HG23 VAL 37 6.919 6.557 1.321 314 H VAL 38 H VAL 38 8.702 2.477 1.766 315 HA VAL 38 HA VAL 38 7.678 0.524 3.415 316 HB VAL 38 HB VAL 38 10.449 0.577 2.212 317 HG11 VAL 38 HG11 VAL 38 10.370 -1.156 3.837 318 HG12 VAL 38 HG12 VAL 38 8.768 -1.670 3.306 319 HG13 VAL 38 HG13 VAL 38 10.166 -1.922 2.262 320 HG21 VAL 38 HG21 VAL 38 7.980 0.638 0.931 321 HG22 VAL 38 HG22 VAL 38 9.534 0.209 0.215 322 HG23 VAL 38 HG23 VAL 38 8.481 -1.051 0.859 323 H LYS 39 H LYS 39 10.529 2.550 3.927 324 HA LYS 39 HA LYS 39 11.375 1.258 6.312 325 HB2 LYS 39 HB2 LYS 39 11.940 4.076 5.369 326 HB3 LYS 39 HB3 LYS 39 12.825 3.209 6.616 327 HG2 LYS 39 HG2 LYS 39 12.809 1.608 4.272 328 HG3 LYS 39 HG3 LYS 39 13.286 3.249 3.825 329 HD2 LYS 39 HD2 LYS 39 15.317 2.319 4.398 330 HD3 LYS 39 HD3 LYS 39 14.830 3.062 5.923 331 HE2 LYS 39 HE2 LYS 39 13.684 0.576 6.075 332 HE3 LYS 39 HE3 LYS 39 15.197 0.246 5.233 333 HZ1 LYS 39 HZ1 LYS 39 15.784 0.072 7.442 334 HZ2 LYS 39 HZ2 LYS 39 16.221 1.670 7.097 335 HZ3 LYS 39 HZ3 LYS 39 14.786 1.348 7.933 336 H GLU 40 H GLU 40 9.409 4.134 5.664 337 HA GLU 40 HA GLU 40 9.094 5.010 8.296 338 HB2 GLU 40 HB2 GLU 40 8.240 5.887 5.863 339 HB3 GLU 40 HB3 GLU 40 6.733 5.304 6.555 340 HG2 GLU 40 HG2 GLU 40 6.948 6.767 8.431 341 HG3 GLU 40 HG3 GLU 40 8.571 7.244 7.933 342 H VAL 41 H VAL 41 7.042 2.824 6.381 343 HA VAL 41 HA VAL 41 5.192 2.312 8.469 344 HB VAL 41 HB VAL 41 4.448 0.404 7.086 345 HG11 VAL 41 HG11 VAL 41 4.191 1.917 4.904 346 HG12 VAL 41 HG12 VAL 41 3.293 2.231 6.390 347 HG13 VAL 41 HG13 VAL 41 4.752 3.154 6.029 348 HG21 VAL 41 HG21 VAL 41 6.841 1.144 5.409 349 HG22 VAL 41 HG22 VAL 41 6.519 -0.397 6.203 350 HG23 VAL 41 HG23 VAL 41 5.523 0.119 4.843 351 H GLN 42 H GLN 42 8.150 0.724 7.401 352 HA GLN 42 HA GLN 42 7.970 -1.651 8.825 353 HB2 GLN 42 HB2 GLN 42 9.726 -1.216 7.180 354 HB3 GLN 42 HB3 GLN 42 10.434 0.000 8.235 355 HG2 GLN 42 HG2 GLN 42 11.706 -1.572 9.118 356 HG3 GLN 42 HG3 GLN 42 10.256 -2.334 9.769 357 HE21 GLN 42 HE21 GLN 42 12.899 -2.726 7.784 358 HE22 GLN 42 HE22 GLN 42 12.389 -4.142 6.934 359 H LYS 43 H LYS 43 9.025 1.541 9.889 360 HA LYS 43 HA LYS 43 9.864 0.674 12.480 361 HB2 LYS 43 HB2 LYS 43 10.179 2.973 10.982 362 HB3 LYS 43 HB3 LYS 43 9.086 3.485 12.261 363 HG2 LYS 43 HG2 LYS 43 10.637 3.086 13.928 364 HG3 LYS 43 HG3 LYS 43 11.570 1.967 12.933 365 HD2 LYS 43 HD2 LYS 43 11.334 4.848 12.155 366 HD3 LYS 43 HD3 LYS 43 12.496 4.350 13.388 367 HE2 LYS 43 HE2 LYS 43 12.350 3.061 10.674 368 HE3 LYS 43 HE3 LYS 43 13.350 4.476 11.000 369 HZ1 LYS 43 HZ1 LYS 43 13.998 2.763 13.004 370 HZ2 LYS 43 HZ2 LYS 43 13.801 1.727 11.682 371 HZ3 LYS 43 HZ3 LYS 43 14.899 3.011 11.594 372 H LYS 44 H LYS 44 6.891 1.940 11.109 373 HA LYS 44 HA LYS 44 5.550 2.459 13.541 374 HB2 LYS 44 HB2 LYS 44 4.969 2.621 10.769 375 HB3 LYS 44 HB3 LYS 44 3.698 1.657 11.509 376 HG2 LYS 44 HG2 LYS 44 2.924 3.864 11.587 377 HG3 LYS 44 HG3 LYS 44 3.488 3.517 13.223 378 HD2 LYS 44 HD2 LYS 44 5.340 4.878 13.017 379 HD3 LYS 44 HD3 LYS 44 5.366 4.752 11.256 380 HE2 LYS 44 HE2 LYS 44 2.913 5.962 12.176 381 HE3 LYS 44 HE3 LYS 44 4.315 6.835 12.791 382 HZ1 LYS 44 HZ1 LYS 44 4.235 6.085 9.952 383 HZ2 LYS 44 HZ2 LYS 44 3.323 7.413 10.475 384 HZ3 LYS 44 HZ3 LYS 44 5.001 7.398 10.695 385 H GLY 45 H GLY 45 5.820 -0.419 11.517 386 HA2 GLY 45 HA2 GLY 45 5.825 -2.555 12.756 387 HA3 GLY 45 HA3 GLY 45 4.449 -1.931 13.656 388 H VAL 46 H VAL 46 4.644 -1.294 10.263 389 HA VAL 46 HA VAL 46 2.143 -2.318 9.654 390 HB VAL 46 HB VAL 46 3.349 -0.764 8.185 391 HG11 VAL 46 HG11 VAL 46 5.112 -3.151 7.685 392 HG12 VAL 46 HG12 VAL 46 5.044 -1.762 6.600 393 HG13 VAL 46 HG13 VAL 46 5.580 -1.553 8.267 394 HG21 VAL 46 HG21 VAL 46 1.481 -2.167 7.335 395 HG22 VAL 46 HG22 VAL 46 2.629 -1.686 6.086 396 HG23 VAL 46 HG23 VAL 46 2.673 -3.323 6.740 397 H GLN 47 H GLN 47 1.436 -4.196 8.584 398 HA GLN 47 HA GLN 47 3.292 -6.479 8.736 399 HB2 GLN 47 HB2 GLN 47 0.402 -6.296 9.554 400 HB3 GLN 47 HB3 GLN 47 1.162 -7.839 9.189 401 HG2 GLN 47 HG2 GLN 47 2.221 -5.922 11.245 402 HG3 GLN 47 HG3 GLN 47 1.078 -7.213 11.613 403 HE21 GLN 47 HE21 GLN 47 3.479 -7.131 12.880 404 HE22 GLN 47 HE22 GLN 47 4.485 -8.424 12.332 405 H LYS 48 H LYS 48 0.653 -4.917 7.050 406 HA LYS 48 HA LYS 48 1.067 -6.766 4.792 407 HB2 LYS 48 HB2 LYS 48 -1.267 -6.463 6.138 408 HB3 LYS 48 HB3 LYS 48 -1.457 -5.233 4.894 409 HG2 LYS 48 HG2 LYS 48 -1.581 -6.755 3.208 410 HG3 LYS 48 HG3 LYS 48 -0.564 -7.930 4.043 411 HD2 LYS 48 HD2 LYS 48 -2.432 -9.025 4.570 412 HD3 LYS 48 HD3 LYS 48 -2.821 -7.687 5.652 413 HE2 LYS 48 HE2 LYS 48 -4.396 -6.857 4.265 414 HE3 LYS 48 HE3 LYS 48 -3.476 -7.253 2.814 415 HZ1 LYS 48 HZ1 LYS 48 -4.158 -9.555 3.047 416 HZ2 LYS 48 HZ2 LYS 48 -5.028 -9.186 4.450 417 HZ3 LYS 48 HZ3 LYS 48 -5.514 -8.546 2.962 418 H VAL 49 H VAL 49 0.705 -5.821 2.648 419 HA VAL 49 HA VAL 49 0.932 -2.919 2.479 420 HB VAL 49 HB VAL 49 2.993 -4.755 1.251 421 HG11 VAL 49 HG11 VAL 49 4.055 -2.438 0.763 422 HG12 VAL 49 HG12 VAL 49 2.778 -3.042 -0.291 423 HG13 VAL 49 HG13 VAL 49 2.406 -1.838 0.943 424 HG21 VAL 49 HG21 VAL 49 3.030 -2.935 3.627 425 HG22 VAL 49 HG22 VAL 49 3.630 -4.586 3.474 426 HG23 VAL 49 HG23 VAL 49 4.510 -3.255 2.721 427 H VAL 50 H VAL 50 -0.644 -2.395 1.118 428 HA VAL 50 HA VAL 50 -1.069 -4.086 -1.260 429 HB VAL 50 HB VAL 50 -3.092 -2.320 0.124 430 HG11 VAL 50 HG11 VAL 50 -3.487 -2.475 -2.266 431 HG12 VAL 50 HG12 VAL 50 -3.380 -4.234 -2.190 432 HG13 VAL 50 HG13 VAL 50 -4.707 -3.395 -1.385 433 HG21 VAL 50 HG21 VAL 50 -3.845 -5.055 0.105 434 HG22 VAL 50 HG22 VAL 50 -2.206 -4.947 0.745 435 HG23 VAL 50 HG23 VAL 50 -3.505 -4.019 1.492 436 H VAL 51 H VAL 51 -1.286 -3.118 -3.255 437 HA VAL 51 HA VAL 51 -0.912 -0.204 -3.379 438 HB VAL 51 HB VAL 51 0.629 -0.486 -5.285 439 HG11 VAL 51 HG11 VAL 51 1.170 -0.982 -2.536 440 HG12 VAL 51 HG12 VAL 51 2.251 -1.980 -3.508 441 HG13 VAL 51 HG13 VAL 51 2.210 -0.234 -3.748 442 HG21 VAL 51 HG21 VAL 51 1.432 -2.542 -6.017 443 HG22 VAL 51 HG22 VAL 51 0.918 -3.376 -4.552 444 HG23 VAL 51 HG23 VAL 51 -0.280 -2.862 -5.739 445 H VAL 52 H VAL 52 -1.823 0.831 -5.160 446 HA VAL 52 HA VAL 52 -3.600 -0.841 -6.818 447 HB VAL 52 HB VAL 52 -4.233 2.011 -6.115 448 HG11 VAL 52 HG11 VAL 52 -6.120 -0.238 -6.748 449 HG12 VAL 52 HG12 VAL 52 -6.410 1.499 -6.830 450 HG13 VAL 52 HG13 VAL 52 -5.354 0.725 -8.011 451 HG21 VAL 52 HG21 VAL 52 -4.324 -0.310 -4.358 452 HG22 VAL 52 HG22 VAL 52 -4.487 1.404 -3.979 453 HG23 VAL 52 HG23 VAL 52 -5.888 0.487 -4.530 454 H GLY 53 H GLY 53 -3.472 -0.589 -8.970 455 HA2 GLY 53 HA2 GLY 53 -2.842 0.228 -11.023 456 HA3 GLY 53 HA3 GLY 53 -2.743 1.814 -10.273 457 H VAL 54 H VAL 54 -0.834 -0.477 -8.688 458 HA VAL 54 HA VAL 54 1.576 0.718 -9.838 459 HB VAL 54 HB VAL 54 1.228 -0.988 -7.368 460 HG11 VAL 54 HG11 VAL 54 3.665 0.372 -8.506 461 HG12 VAL 54 HG12 VAL 54 3.564 -0.275 -6.868 462 HG13 VAL 54 HG13 VAL 54 3.422 -1.356 -8.254 463 HG21 VAL 54 HG21 VAL 54 2.085 1.370 -6.447 464 HG22 VAL 54 HG22 VAL 54 1.222 1.927 -7.881 465 HG23 VAL 54 HG23 VAL 54 0.375 0.989 -6.651 466 H SER 55 H SER 55 3.185 -0.449 -10.813 467 HA SER 55 HA SER 55 2.473 -2.821 -12.156 468 HB2 SER 55 HB2 SER 55 5.307 -2.611 -12.100 469 HB3 SER 55 HB3 SER 55 4.209 -2.159 -13.404 470 HG SER 55 HG SER 55 5.625 -0.457 -12.508 471 H GLU 56 H GLU 56 3.044 -4.949 -11.849 472 HA GLU 56 HA GLU 56 3.410 -5.799 -9.163 473 HB2 GLU 56 HB2 GLU 56 3.487 -8.072 -10.121 474 HB3 GLU 56 HB3 GLU 56 2.122 -7.142 -10.723 475 HG2 GLU 56 HG2 GLU 56 3.651 -6.588 -12.715 476 HG3 GLU 56 HG3 GLU 56 4.624 -7.944 -12.149 477 H LYS 57 H LYS 57 5.536 -5.533 -11.956 478 HA LYS 57 HA LYS 57 7.738 -6.944 -10.969 479 HB2 LYS 57 HB2 LYS 57 9.050 -5.767 -12.622 480 HB3 LYS 57 HB3 LYS 57 7.484 -6.171 -13.313 481 HG2 LYS 57 HG2 LYS 57 6.720 -3.882 -12.918 482 HG3 LYS 57 HG3 LYS 57 8.297 -3.479 -12.235 483 HD2 LYS 57 HD2 LYS 57 9.156 -4.422 -14.542 484 HD3 LYS 57 HD3 LYS 57 7.522 -4.004 -15.064 485 HE2 LYS 57 HE2 LYS 57 8.566 -1.848 -13.526 486 HE3 LYS 57 HE3 LYS 57 9.763 -2.299 -14.738 487 HZ1 LYS 57 HZ1 LYS 57 7.246 -0.982 -15.074 488 HZ2 LYS 57 HZ2 LYS 57 8.562 -1.077 -16.133 489 HZ3 LYS 57 HZ3 LYS 57 7.408 -2.315 -16.104 490 H VAL 58 H VAL 58 6.638 -3.672 -10.370 491 HA VAL 58 HA VAL 58 9.028 -2.786 -9.083 492 HB VAL 58 HB VAL 58 6.222 -1.680 -8.892 493 HG11 VAL 58 HG11 VAL 58 8.615 -1.030 -7.467 494 HG12 VAL 58 HG12 VAL 58 8.165 0.321 -8.507 495 HG13 VAL 58 HG13 VAL 58 7.010 -0.311 -7.333 496 HG21 VAL 58 HG21 VAL 58 6.902 -0.098 -10.582 497 HG22 VAL 58 HG22 VAL 58 8.528 -0.780 -10.616 498 HG23 VAL 58 HG23 VAL 58 7.158 -1.736 -11.184 499 H VAL 59 H VAL 59 5.796 -3.608 -7.807 500 HA VAL 59 HA VAL 59 6.515 -3.498 -5.095 501 HB VAL 59 HB VAL 59 4.472 -4.845 -4.683 502 HG11 VAL 59 HG11 VAL 59 3.474 -2.944 -6.672 503 HG12 VAL 59 HG12 VAL 59 3.204 -3.012 -4.930 504 HG13 VAL 59 HG13 VAL 59 4.671 -2.268 -5.568 505 HG21 VAL 59 HG21 VAL 59 4.353 -6.367 -6.449 506 HG22 VAL 59 HG22 VAL 59 3.042 -5.236 -6.782 507 HG23 VAL 59 HG23 VAL 59 4.562 -5.112 -7.670 508 H GLN 60 H GLN 60 6.579 -6.136 -7.432 509 HA GLN 60 HA GLN 60 7.031 -8.272 -5.708 510 HB2 GLN 60 HB2 GLN 60 7.731 -7.729 -8.565 511 HB3 GLN 60 HB3 GLN 60 8.375 -9.165 -7.780 512 HG2 GLN 60 HG2 GLN 60 5.460 -8.627 -7.580 513 HG3 GLN 60 HG3 GLN 60 6.110 -9.219 -9.109 514 HE21 GLN 60 HE21 GLN 60 5.382 -9.967 -5.824 515 HE22 GLN 60 HE22 GLN 60 5.726 -11.659 -5.908 516 H LYS 61 H LYS 61 9.422 -6.232 -7.382 517 HA LYS 61 HA LYS 61 11.727 -7.411 -6.380 518 HB2 LYS 61 HB2 LYS 61 11.437 -5.551 -8.155 519 HB3 LYS 61 HB3 LYS 61 11.509 -4.441 -6.793 520 HG2 LYS 61 HG2 LYS 61 13.720 -4.607 -6.660 521 HG3 LYS 61 HG3 LYS 61 13.665 -6.370 -6.717 522 HD2 LYS 61 HD2 LYS 61 14.789 -5.953 -8.665 523 HD3 LYS 61 HD3 LYS 61 13.130 -5.918 -9.266 524 HE2 LYS 61 HE2 LYS 61 14.039 -3.998 -10.186 525 HE3 LYS 61 HE3 LYS 61 13.249 -3.388 -8.733 526 HZ1 LYS 61 HZ1 LYS 61 15.883 -3.048 -9.442 527 HZ2 LYS 61 HZ2 LYS 61 15.183 -2.684 -7.944 528 HZ3 LYS 61 HZ3 LYS 61 15.922 -4.186 -8.190 529 H VAL 62 H VAL 62 10.316 -4.361 -5.174 530 HA VAL 62 HA VAL 62 11.817 -4.129 -2.871 531 HB VAL 62 HB VAL 62 8.930 -3.311 -3.220 532 HG11 VAL 62 HG11 VAL 62 10.951 -2.818 -1.105 533 HG12 VAL 62 HG12 VAL 62 9.906 -1.473 -1.567 534 HG13 VAL 62 HG13 VAL 62 9.198 -2.981 -0.984 535 HG21 VAL 62 HG21 VAL 62 9.625 -1.709 -4.594 536 HG22 VAL 62 HG22 VAL 62 10.828 -1.173 -3.422 537 HG23 VAL 62 HG23 VAL 62 11.230 -2.442 -4.580 538 H LYS 63 H LYS 63 8.818 -5.928 -3.379 539 HA LYS 63 HA LYS 63 8.247 -6.626 -0.751 540 HB2 LYS 63 HB2 LYS 63 6.639 -7.097 -2.448 541 HB3 LYS 63 HB3 LYS 63 7.777 -8.097 -3.342 542 HG2 LYS 63 HG2 LYS 63 7.225 -8.981 -0.595 543 HG3 LYS 63 HG3 LYS 63 5.859 -9.060 -1.710 544 HD2 LYS 63 HD2 LYS 63 8.228 -10.050 -2.993 545 HD3 LYS 63 HD3 LYS 63 7.987 -10.881 -1.455 546 HE2 LYS 63 HE2 LYS 63 5.655 -11.360 -2.128 547 HE3 LYS 63 HE3 LYS 63 5.979 -10.611 -3.690 548 HZ1 LYS 63 HZ1 LYS 63 6.161 -13.072 -3.671 549 HZ2 LYS 63 HZ2 LYS 63 7.566 -12.289 -4.196 550 HZ3 LYS 63 HZ3 LYS 63 7.491 -12.935 -2.633 551 H GLN 64 H GLN 64 10.356 -8.242 -3.099 552 HA GLN 64 HA GLN 64 11.020 -10.466 -1.527 553 HB2 GLN 64 HB2 GLN 64 11.886 -9.295 -4.010 554 HB3 GLN 64 HB3 GLN 64 13.281 -9.828 -3.081 555 HG2 GLN 64 HG2 GLN 64 12.277 -12.058 -2.878 556 HG3 GLN 64 HG3 GLN 64 10.913 -11.516 -3.855 557 HE21 GLN 64 HE21 GLN 64 11.028 -11.889 -5.947 558 HE22 GLN 64 HE22 GLN 64 12.468 -12.205 -6.847 559 H GLU 65 H GLU 65 12.610 -7.309 -1.857 560 HA GLU 65 HA GLU 65 14.602 -7.974 0.126 561 HB2 GLU 65 HB2 GLU 65 15.396 -5.677 -0.215 562 HB3 GLU 65 HB3 GLU 65 15.200 -6.524 -1.743 563 HG2 GLU 65 HG2 GLU 65 13.380 -5.260 -2.369 564 HG3 GLU 65 HG3 GLU 65 12.981 -4.824 -0.709 565 H ALA 66 H ALA 66 11.429 -7.228 0.346 566 HA ALA 66 HA ALA 66 11.690 -5.547 2.732 567 HB1 ALA 66 HB1 ALA 66 10.055 -4.633 1.363 568 HB2 ALA 66 HB2 ALA 66 9.407 -6.210 0.912 569 HB3 ALA 66 HB3 ALA 66 9.115 -5.565 2.528 570 H ASN 67 H ASN 67 10.713 -8.739 1.686 571 HA ASN 67 HA ASN 67 10.303 -10.659 2.837 572 HB2 ASN 67 HB2 ASN 67 12.300 -9.660 4.204 573 HB3 ASN 67 HB3 ASN 67 11.068 -9.341 5.420 574 HD21 ASN 67 HD21 ASN 67 12.325 -11.927 3.359 575 HD22 ASN 67 HD22 ASN 67 12.084 -13.196 4.506 576 H VAL 68 H VAL 68 8.143 -9.086 2.329 577 HA VAL 68 HA VAL 68 6.423 -9.711 4.609 578 HB VAL 68 HB VAL 68 5.250 -7.567 4.464 579 HG11 VAL 68 HG11 VAL 68 7.016 -7.811 6.115 580 HG12 VAL 68 HG12 VAL 68 8.215 -7.283 4.935 581 HG13 VAL 68 HG13 VAL 68 6.978 -6.159 5.497 582 HG21 VAL 68 HG21 VAL 68 5.447 -6.498 2.501 583 HG22 VAL 68 HG22 VAL 68 6.908 -5.805 3.207 584 HG23 VAL 68 HG23 VAL 68 7.020 -7.218 2.158 585 H GLN 69 H GLN 69 4.042 -9.299 3.942 586 HA GLN 69 HA GLN 69 3.669 -10.619 1.370 587 HB2 GLN 69 HB2 GLN 69 1.655 -10.021 3.545 588 HB3 GLN 69 HB3 GLN 69 1.382 -11.029 2.131 589 HG2 GLN 69 HG2 GLN 69 2.671 -12.754 2.939 590 HG3 GLN 69 HG3 GLN 69 3.596 -11.702 4.008 591 HE21 GLN 69 HE21 GLN 69 0.219 -12.678 3.500 592 HE22 GLN 69 HE22 GLN 69 -0.144 -12.906 5.173 593 H VAL 70 H VAL 70 3.153 -9.521 -0.393 594 HA VAL 70 HA VAL 70 1.971 -6.841 -0.091 595 HB VAL 70 HB VAL 70 3.563 -7.988 -2.388 596 HG11 VAL 70 HG11 VAL 70 3.467 -5.388 -2.947 597 HG12 VAL 70 HG12 VAL 70 2.253 -6.525 -3.534 598 HG13 VAL 70 HG13 VAL 70 1.921 -5.535 -2.112 599 HG21 VAL 70 HG21 VAL 70 4.205 -6.043 -0.193 600 HG22 VAL 70 HG22 VAL 70 5.087 -7.491 -0.680 601 HG23 VAL 70 HG23 VAL 70 5.106 -6.058 -1.710 602 H TYR 71 H TYR 71 0.196 -6.240 -1.315 603 HA TYR 71 HA TYR 71 -1.117 -8.374 -2.860 604 HB2 TYR 71 HB2 TYR 71 -2.213 -6.717 -0.624 605 HB3 TYR 71 HB3 TYR 71 -3.291 -7.211 -1.925 606 HD1 TYR 71 HD1 TYR 71 -0.668 -8.763 0.250 607 HD2 TYR 71 HD2 TYR 71 -4.500 -9.134 -1.562 608 HE1 TYR 71 HE1 TYR 71 -0.963 -10.951 1.334 609 HE2 TYR 71 HE2 TYR 71 -4.806 -11.322 -0.482 610 HH TYR 71 HH TYR 71 -3.476 -12.369 1.959 611 H ARG 72 H ARG 72 -2.131 -7.759 -4.715 612 HA ARG 72 HA ARG 72 -1.848 -4.927 -5.466 613 HB2 ARG 72 HB2 ARG 72 -0.524 -6.267 -6.916 614 HB3 ARG 72 HB3 ARG 72 -1.810 -7.451 -7.113 615 HG2 ARG 72 HG2 ARG 72 -3.008 -6.103 -8.564 616 HG3 ARG 72 HG3 ARG 72 -2.201 -4.630 -8.020 617 HD2 ARG 72 HD2 ARG 72 -0.136 -5.349 -9.081 618 HD3 ARG 72 HD3 ARG 72 -0.897 -6.860 -9.577 619 HE ARG 72 HE ARG 72 -2.234 -4.490 -10.526 620 HH11 ARG 72 HH11 ARG 72 0.244 -6.854 -11.158 621 HH12 ARG 72 HH12 ARG 72 0.232 -6.599 -12.872 622 HH21 ARG 72 HH21 ARG 72 -2.259 -4.147 -12.781 623 HH22 ARG 72 HH22 ARG 72 -1.191 -5.058 -13.793 624 H VAL 73 H VAL 73 -3.533 -3.877 -6.553 625 HA VAL 73 HA VAL 73 -6.079 -5.272 -6.835 626 HB VAL 73 HB VAL 73 -7.269 -3.392 -5.658 627 HG11 VAL 73 HG11 VAL 73 -6.666 -5.713 -4.711 628 HG12 VAL 73 HG12 VAL 73 -5.480 -4.841 -3.741 629 HG13 VAL 73 HG13 VAL 73 -7.194 -4.457 -3.591 630 HG21 VAL 73 HG21 VAL 73 -4.945 -2.772 -3.998 631 HG22 VAL 73 HG22 VAL 73 -4.813 -2.184 -5.655 632 HG23 VAL 73 HG23 VAL 73 -6.186 -1.705 -4.655 633 H THR 74 H THR 74 -7.378 -4.442 -8.416 634 HA THR 74 HA THR 74 -6.322 -2.108 -9.873 635 HB THR 74 HB THR 74 -7.502 -3.084 -11.876 636 HG1 THR 74 HG1 THR 74 -8.667 -4.814 -11.569 637 HG21 THR 74 HG21 THR 74 -4.997 -3.619 -10.841 638 HG22 THR 74 HG22 THR 74 -5.632 -5.220 -11.223 639 HG23 THR 74 HG23 THR 74 -5.542 -3.984 -12.479 640 H SER 75 H SER 75 -9.109 -3.578 -8.416 641 HA SER 75 HA SER 75 -10.782 -1.329 -9.315 642 HB2 SER 75 HB2 SER 75 -11.294 -4.086 -9.314 643 HB3 SER 75 HB3 SER 75 -12.254 -3.438 -7.985 644 HG SER 75 HG SER 75 -12.261 -2.498 -10.665 645 H ASN 76 H ASN 76 -12.418 -0.581 -7.707 646 HA ASN 76 HA ASN 76 -11.113 0.143 -5.281 647 HB2 ASN 76 HB2 ASN 76 -13.746 0.711 -6.552 648 HB3 ASN 76 HB3 ASN 76 -13.610 0.967 -4.815 649 HD21 ASN 76 HD21 ASN 76 -13.312 2.403 -7.746 650 HD22 ASN 76 HD22 ASN 76 -12.268 3.713 -7.325 651 H ASP 77 H ASP 77 -13.508 -2.246 -6.172 652 HA ASP 77 HA ASP 77 -14.458 -2.895 -3.611 653 HB2 ASP 77 HB2 ASP 77 -15.385 -3.629 -5.878 654 HB3 ASP 77 HB3 ASP 77 -14.144 -4.880 -5.859 655 H GLU 78 H GLU 78 -11.522 -3.729 -5.277 656 HA GLU 78 HA GLU 78 -10.823 -5.905 -3.544 657 HB2 GLU 78 HB2 GLU 78 -9.006 -4.314 -5.357 658 HB3 GLU 78 HB3 GLU 78 -8.704 -5.915 -4.698 659 HG2 GLU 78 HG2 GLU 78 -10.653 -5.108 -6.825 660 HG3 GLU 78 HG3 GLU 78 -9.330 -6.268 -6.923 661 H VAL 79 H VAL 79 -10.306 -2.459 -3.596 662 HA VAL 79 HA VAL 79 -8.181 -2.384 -1.710 663 HB VAL 79 HB VAL 79 -10.179 -0.240 -2.445 664 HG11 VAL 79 HG11 VAL 79 -7.579 -0.079 -0.927 665 HG12 VAL 79 HG12 VAL 79 -8.472 1.314 -1.534 666 HG13 VAL 79 HG13 VAL 79 -9.194 0.271 -0.310 667 HG21 VAL 79 HG21 VAL 79 -8.685 -1.194 -4.265 668 HG22 VAL 79 HG22 VAL 79 -8.608 0.550 -4.014 669 HG23 VAL 79 HG23 VAL 79 -7.333 -0.491 -3.379 670 H GLU 80 H GLU 80 -11.675 -1.747 -1.402 671 HA GLU 80 HA GLU 80 -11.598 -1.412 1.414 672 HB2 GLU 80 HB2 GLU 80 -13.398 -0.658 -0.297 673 HB3 GLU 80 HB3 GLU 80 -14.053 -2.275 -0.084 674 HG2 GLU 80 HG2 GLU 80 -14.066 -1.771 2.407 675 HG3 GLU 80 HG3 GLU 80 -13.782 -0.091 1.953 676 H GLN 81 H GLN 81 -12.030 -4.168 -0.693 677 HA GLN 81 HA GLN 81 -13.059 -5.974 1.215 678 HB2 GLN 81 HB2 GLN 81 -13.223 -6.474 -1.138 679 HB3 GLN 81 HB3 GLN 81 -11.474 -6.444 -1.312 680 HG2 GLN 81 HG2 GLN 81 -11.382 -8.606 -0.881 681 HG3 GLN 81 HG3 GLN 81 -12.119 -8.335 0.698 682 HE21 GLN 81 HE21 GLN 81 -14.177 -8.950 1.036 683 HE22 GLN 81 HE22 GLN 81 -15.190 -9.679 -0.158 684 H VAL 82 H VAL 82 -9.734 -5.493 0.027 685 HA VAL 82 HA VAL 82 -8.500 -7.367 1.699 686 HB VAL 82 HB VAL 82 -7.358 -4.824 0.535 687 HG11 VAL 82 HG11 VAL 82 -5.606 -5.231 1.857 688 HG12 VAL 82 HG12 VAL 82 -6.219 -6.819 2.318 689 HG13 VAL 82 HG13 VAL 82 -5.297 -6.630 0.828 690 HG21 VAL 82 HG21 VAL 82 -6.801 -7.562 -0.506 691 HG22 VAL 82 HG22 VAL 82 -8.323 -6.777 -0.927 692 HG23 VAL 82 HG23 VAL 82 -6.790 -6.012 -1.348 693 H VAL 83 H VAL 83 -8.905 -3.855 2.128 694 HA VAL 83 HA VAL 83 -7.654 -3.692 4.640 695 HB VAL 83 HB VAL 83 -9.820 -1.923 3.496 696 HG11 VAL 83 HG11 VAL 83 -8.380 -1.894 6.034 697 HG12 VAL 83 HG12 VAL 83 -8.266 -0.376 5.142 698 HG13 VAL 83 HG13 VAL 83 -9.847 -1.042 5.552 699 HG21 VAL 83 HG21 VAL 83 -8.091 -0.539 2.650 700 HG22 VAL 83 HG22 VAL 83 -6.848 -1.447 3.512 701 HG23 VAL 83 HG23 VAL 83 -7.699 -2.186 2.156 702 H LYS 84 H LYS 84 -11.059 -4.122 3.744 703 HA LYS 84 HA LYS 84 -12.295 -3.945 6.177 704 HB2 LYS 84 HB2 LYS 84 -13.599 -4.301 4.202 705 HB3 LYS 84 HB3 LYS 84 -12.823 -5.851 3.898 706 HG2 LYS 84 HG2 LYS 84 -13.996 -6.916 5.593 707 HG3 LYS 84 HG3 LYS 84 -14.396 -5.399 6.402 708 HD2 LYS 84 HD2 LYS 84 -15.406 -5.775 3.640 709 HD3 LYS 84 HD3 LYS 84 -16.156 -6.740 4.913 710 HE2 LYS 84 HE2 LYS 84 -16.295 -4.468 6.175 711 HE3 LYS 84 HE3 LYS 84 -16.091 -3.770 4.569 712 HZ1 LYS 84 HZ1 LYS 84 -18.437 -4.673 5.709 713 HZ2 LYS 84 HZ2 LYS 84 -18.203 -4.183 4.105 714 HZ3 LYS 84 HZ3 LYS 84 -18.050 -5.816 4.521 715 H ASP 85 H ASP 85 -11.245 -7.058 4.783 716 HA ASP 85 HA ASP 85 -11.528 -8.523 7.155 717 HB2 ASP 85 HB2 ASP 85 -9.974 -8.975 4.624 718 HB3 ASP 85 HB3 ASP 85 -9.847 -10.104 5.970 719 H VAL 86 H VAL 86 -8.952 -6.503 5.985 720 HA VAL 86 HA VAL 86 -6.833 -6.077 6.771 721 HB VAL 86 HB VAL 86 -8.327 -4.804 8.292 722 HG11 VAL 86 HG11 VAL 86 -8.033 -7.256 10.018 723 HG12 VAL 86 HG12 VAL 86 -8.598 -5.695 10.615 724 HG13 VAL 86 HG13 VAL 86 -9.523 -6.555 9.385 725 HG21 VAL 86 HG21 VAL 86 -6.375 -4.018 9.009 726 HG22 VAL 86 HG22 VAL 86 -6.395 -5.240 10.279 727 HG23 VAL 86 HG23 VAL 86 -5.600 -5.578 8.741 728 H LYS 87 H LYS 87 -7.244 -8.857 6.383 729 HA LYS 87 HA LYS 87 -5.033 -9.921 7.718 730 HB2 LYS 87 HB2 LYS 87 -7.496 -10.051 9.221 731 HB3 LYS 87 HB3 LYS 87 -6.920 -11.670 8.846 732 HG2 LYS 87 HG2 LYS 87 -4.787 -9.940 9.771 733 HG3 LYS 87 HG3 LYS 87 -6.099 -10.078 10.942 734 HD2 LYS 87 HD2 LYS 87 -5.949 -12.596 10.561 735 HD3 LYS 87 HD3 LYS 87 -4.417 -12.267 9.749 736 HE2 LYS 87 HE2 LYS 87 -4.325 -10.842 12.159 737 HE3 LYS 87 HE3 LYS 87 -5.005 -12.418 12.564 738 HZ1 LYS 87 HZ1 LYS 87 -2.529 -12.095 10.967 739 HZ2 LYS 87 HZ2 LYS 87 -2.523 -12.256 12.651 740 HZ3 LYS 87 HZ3 LYS 87 -3.122 -13.508 11.684 741 H GLY 88 H GLY 88 -4.330 -11.111 6.068 742 HA2 GLY 88 HA2 GLY 88 -4.269 -12.665 4.382 743 HA3 GLY 88 HA3 GLY 88 -5.536 -13.498 5.269 744 H SER 89 H SER 89 -6.657 -14.140 3.440 745 HA SER 89 HA SER 89 -8.485 -12.210 2.382 746 HB2 SER 89 HB2 SER 89 -6.695 -11.653 0.888 747 HB3 SER 89 HB3 SER 89 -6.346 -13.354 0.578 748 HG SER 89 HG SER 89 -7.548 -12.511 -1.126 749 H GLY 90 H GLY 90 -10.352 -13.175 1.805 750 HA2 GLY 90 HA2 GLY 90 -10.520 -16.053 2.106 751 HA3 GLY 90 HA3 GLY 90 -11.867 -14.942 1.905 752 H LEU 91 H LEU 91 -12.982 -15.728 0.225 753 HA LEU 91 HA LEU 91 -11.898 -15.533 -2.398 754 HB2 LEU 91 HB2 LEU 91 -11.234 -17.871 -1.248 755 HB3 LEU 91 HB3 LEU 91 -12.808 -18.300 -1.914 756 HG LEU 91 HG LEU 91 -12.015 -17.646 -4.152 757 HD11 LEU 91 HD11 LEU 91 -10.380 -16.018 -3.773 758 HD12 LEU 91 HD12 LEU 91 -9.494 -17.038 -2.641 759 HD13 LEU 91 HD13 LEU 91 -9.481 -17.414 -4.363 760 HD21 LEU 91 HD21 LEU 91 -11.655 -19.969 -2.952 761 HD22 LEU 91 HD22 LEU 91 -10.999 -19.652 -4.557 762 HD23 LEU 91 HD23 LEU 91 -9.956 -19.538 -3.140 763 H GLU 92 H GLU 92 -13.515 -14.922 -3.672 764 HA GLU 92 HA GLU 92 -16.201 -15.992 -3.209 765 HB2 GLU 92 HB2 GLU 92 -15.455 -13.420 -2.411 766 HB3 GLU 92 HB3 GLU 92 -16.314 -13.185 -3.926 767 HG2 GLU 92 HG2 GLU 92 -18.276 -13.559 -2.971 768 HG3 GLU 92 HG3 GLU 92 -17.704 -15.048 -2.220 769 H HIS 93 H HIS 93 -17.685 -15.516 -5.034 770 HA HIS 93 HA HIS 93 -16.201 -15.336 -7.575 771 HB2 HIS 93 HB2 HIS 93 -18.557 -17.065 -6.824 772 HB3 HIS 93 HB3 HIS 93 -18.080 -16.785 -8.496 773 HD1 HIS 93 HD1 HIS 93 -18.016 -19.583 -7.008 774 HD2 HIS 93 HD2 HIS 93 -14.760 -17.093 -7.687 775 HE1 HIS 93 HE1 HIS 93 -15.998 -21.082 -6.938 776 H HIS 94 H HIS 94 -16.547 -13.149 -7.898 777 HA HIS 94 HA HIS 94 -19.323 -12.214 -8.003 778 HB2 HIS 94 HB2 HIS 94 -18.320 -9.949 -8.168 779 HB3 HIS 94 HB3 HIS 94 -17.829 -10.808 -6.711 780 HD1 HIS 94 HD1 HIS 94 -15.348 -11.655 -6.625 781 HD2 HIS 94 HD2 HIS 94 -16.271 -9.276 -9.904 782 HE1 HIS 94 HE1 HIS 94 -13.135 -10.977 -7.607 783 H HIS 95 H HIS 95 -20.142 -11.132 -9.841 784 HA HIS 95 HA HIS 95 -18.639 -11.596 -12.330 785 HB2 HIS 95 HB2 HIS 95 -20.836 -12.086 -13.431 786 HB3 HIS 95 HB3 HIS 95 -20.341 -13.293 -12.249 787 HD1 HIS 95 HD1 HIS 95 -21.980 -13.830 -10.449 788 HD2 HIS 95 HD2 HIS 95 -22.891 -10.276 -12.400 789 HE1 HIS 95 HE1 HIS 95 -24.217 -13.121 -9.546 790 H HIS 96 H HIS 96 -19.100 -10.146 -14.062 791 HA HIS 96 HA HIS 96 -19.785 -7.486 -13.119 792 HB2 HIS 96 HB2 HIS 96 -18.487 -8.595 -15.580 793 HB3 HIS 96 HB3 HIS 96 -19.157 -6.966 -15.615 794 HD1 HIS 96 HD1 HIS 96 -16.388 -6.684 -16.054 795 HD2 HIS 96 HD2 HIS 96 -17.748 -7.372 -12.189 796 HE1 HIS 96 HE1 HIS 96 -14.532 -5.914 -14.540 797 H HIS 97 H HIS 97 -21.566 -6.346 -13.658 798 HA HIS 97 HA HIS 97 -23.682 -7.781 -15.064 799 HB2 HIS 97 HB2 HIS 97 -24.018 -6.628 -12.814 800 HB3 HIS 97 HB3 HIS 97 -23.919 -5.105 -13.691 801 HD1 HIS 97 HD1 HIS 97 -25.733 -8.158 -14.966 802 HD2 HIS 97 HD2 HIS 97 -26.561 -4.383 -13.442 803 HE1 HIS 97 HE1 HIS 97 -28.203 -7.828 -15.295 804 H HIS 98 H HIS 98 -22.497 -7.493 -17.127 805 HA HIS 98 HA HIS 98 -23.295 -4.962 -18.380 806 HB2 HIS 98 HB2 HIS 98 -20.710 -5.349 -17.782 807 HB3 HIS 98 HB3 HIS 98 -20.761 -6.196 -19.326 808 HD1 HIS 98 HD1 HIS 98 -22.238 -2.871 -18.180 809 HD2 HIS 98 HD2 HIS 98 -19.896 -4.480 -21.212 810 HE1 HIS 98 HE1 HIS 98 -21.738 -0.956 -19.732
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