NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
463148 | 2rmx | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 15.545 -9.041 -27.219 2 HA2 GLY 1 1HA GLY 1 16.583 -6.693 -26.124 3 HA3 GLY 1 2HA GLY 1 14.832 -6.585 -26.016 4 H SER 2 H SER 2 13.906 -7.410 -24.263 5 HA SER 2 HA SER 2 14.999 -9.739 -22.942 6 HB2 SER 2 1HB SER 2 16.296 -7.810 -21.995 7 HB3 SER 2 2HB SER 2 14.776 -7.151 -21.389 8 HG SER 2 HG SER 2 15.518 -8.326 -19.725 9 H SER 3 H SER 3 13.350 -10.959 -22.324 10 HA SER 3 HA SER 3 10.677 -9.840 -22.259 11 HB2 SER 3 1HB SER 3 11.263 -12.054 -23.353 12 HB3 SER 3 2HB SER 3 11.470 -12.707 -21.728 13 HG SER 3 HG SER 3 9.275 -12.710 -22.977 14 H GLY 4 H GLY 4 9.609 -9.265 -20.481 15 HA2 GLY 4 1HA GLY 4 9.664 -10.588 -18.021 16 HA3 GLY 4 2HA GLY 4 10.828 -9.275 -17.935 17 H SER 5 H SER 5 7.727 -10.096 -17.260 18 HA SER 5 HA SER 5 6.635 -7.422 -17.758 19 HB2 SER 5 1HB SER 5 4.456 -8.441 -17.128 20 HB3 SER 5 2HB SER 5 5.223 -9.266 -18.485 21 HG SER 5 HG SER 5 4.869 -10.124 -15.841 22 H SER 6 H SER 6 7.439 -6.127 -16.177 23 HA SER 6 HA SER 6 7.451 -7.002 -13.413 24 HB2 SER 6 1HB SER 6 8.293 -4.419 -14.742 25 HB3 SER 6 2HB SER 6 8.382 -4.691 -13.002 26 HG SER 6 HG SER 6 10.288 -5.447 -13.516 27 H GLY 7 H GLY 7 5.809 -6.735 -12.062 28 HA2 GLY 7 1HA GLY 7 3.594 -4.994 -12.853 29 HA3 GLY 7 2HA GLY 7 3.545 -6.230 -11.605 30 H TRP 8 H TRP 8 3.211 -5.370 -9.678 31 HA TRP 8 HA TRP 8 4.601 -2.858 -9.011 32 HB2 TRP 8 1HB TRP 8 2.512 -2.727 -7.342 33 HB3 TRP 8 2HB TRP 8 2.463 -2.059 -8.970 34 HD1 TRP 8 HD TRP 8 0.309 -2.668 -10.187 35 HE1 TRP 8 1HE TRP 8 -1.328 -4.653 -10.181 36 HE3 TRP 8 3HE TRP 8 2.644 -5.634 -6.739 37 HZ2 TRP 8 2HZ TRP 8 -1.595 -7.147 -8.885 38 HZ3 TRP 8 3HZ TRP 8 1.632 -7.804 -6.172 39 HH2 TRP 8 HH TRP 8 -0.444 -8.542 -7.223 40 H TYR 9 H TYR 9 5.300 -5.731 -8.576 41 HA TYR 9 HA TYR 9 5.182 -5.911 -5.656 42 HB2 TYR 9 1HB TYR 9 4.693 -7.853 -7.366 43 HB3 TYR 9 2HB TYR 9 6.446 -8.011 -7.372 44 HD1 TYR 9 1HD TYR 9 3.456 -8.097 -5.186 45 HD2 TYR 9 2HD TYR 9 7.576 -9.076 -5.592 46 HE1 TYR 9 1HE TYR 9 3.336 -9.433 -3.125 47 HE2 TYR 9 2HE TYR 9 7.467 -10.417 -3.533 48 HH TYR 9 HH TYR 9 4.742 -10.327 -1.425 49 H HIS 10 H HIS 10 6.782 -5.003 -4.564 50 HA HIS 10 HA HIS 10 9.391 -4.640 -5.818 51 HB2 HIS 10 1HB HIS 10 8.192 -3.580 -3.256 52 HB3 HIS 10 2HB HIS 10 9.864 -3.293 -3.730 53 HD1 HIS 10 1HD HIS 10 10.294 -1.411 -5.332 54 HD2 HIS 10 2HD HIS 10 6.261 -2.360 -5.028 55 HE1 HIS 10 1HE HIS 10 9.081 0.394 -6.597 56 HE2 HIS 10 2HE HIS 10 6.638 -0.155 -6.327 57 H GLY 11 H GLY 11 8.176 -5.805 -2.665 58 HA2 GLY 11 1HA GLY 11 8.833 -7.964 -1.811 59 HA3 GLY 11 2HA GLY 11 10.346 -7.799 -2.689 60 H HIS 12 H HIS 12 11.961 -7.668 -1.284 61 HA HIS 12 HA HIS 12 11.879 -7.086 1.381 62 HB2 HIS 12 1HB HIS 12 14.099 -6.545 -0.596 63 HB3 HIS 12 2HB HIS 12 14.301 -6.420 1.150 64 HD1 HIS 12 1HD HIS 12 12.943 -8.929 2.133 65 HD2 HIS 12 2HD HIS 12 15.371 -8.844 -1.238 66 HE1 HIS 12 1HE HIS 12 13.737 -11.295 1.816 67 HE2 HIS 12 2HE HIS 12 15.273 -11.202 -0.178 68 H MET 13 H MET 13 11.259 -5.364 2.490 69 HA MET 13 HA MET 13 12.231 -2.762 2.035 70 HB2 MET 13 1HB MET 13 10.640 -2.905 0.120 71 HB3 MET 13 2HB MET 13 9.331 -3.139 1.271 72 HG2 MET 13 1HG MET 13 9.601 -0.959 2.156 73 HG3 MET 13 2HG MET 13 11.119 -0.728 1.294 74 HE1 MET 13 3HE MET 13 11.413 -0.776 -1.060 75 HE2 MET 13 1HE MET 13 10.175 -1.612 -1.999 76 HE3 MET 13 2HE MET 13 10.367 0.135 -2.153 77 H SER 14 H SER 14 11.597 -1.289 3.659 78 HA SER 14 HA SER 14 10.199 -2.564 5.914 79 HB2 SER 14 1HB SER 14 12.161 -0.264 6.026 80 HB3 SER 14 2HB SER 14 11.494 -1.154 7.394 81 HG SER 14 HG SER 14 13.709 -1.701 6.373 82 H GLY 15 H GLY 15 8.776 -1.295 7.201 83 HA2 GLY 15 1HA GLY 15 6.863 0.152 5.898 84 HA3 GLY 15 2HA GLY 15 7.211 0.348 7.610 85 H GLY 16 H GLY 16 9.163 1.795 8.071 86 HA2 GLY 16 1HA GLY 16 8.666 4.377 7.314 87 HA3 GLY 16 2HA GLY 16 10.243 3.817 7.851 88 H GLN 17 H GLN 17 10.423 1.969 5.515 89 HA GLN 17 HA GLN 17 11.780 3.739 3.764 90 HB2 GLN 17 1HB GLN 17 12.097 1.165 4.233 91 HB3 GLN 17 2HB GLN 17 10.968 0.996 2.896 92 HG2 GLN 17 1HG GLN 17 12.464 2.271 1.458 93 HG3 GLN 17 2HG GLN 17 13.590 2.470 2.799 94 HE21 GLN 17 1HE2 GLN 17 14.633 1.422 0.630 95 HE22 GLN 17 2HE2 GLN 17 14.882 -0.280 0.784 96 H ALA 18 H ALA 18 9.035 1.577 3.035 97 HA ALA 18 HA ALA 18 8.282 2.404 0.599 98 HB1 ALA 18 1HB ALA 18 6.373 1.300 0.983 99 HB2 ALA 18 2HB ALA 18 7.075 0.939 2.560 100 HB3 ALA 18 3HB ALA 18 5.965 2.297 2.379 101 H GLU 19 H GLU 19 7.313 4.062 3.600 102 HA GLU 19 HA GLU 19 5.754 6.071 2.609 103 HB2 GLU 19 1HB GLU 19 7.626 5.880 4.913 104 HB3 GLU 19 2HB GLU 19 7.033 7.478 4.483 105 HG2 GLU 19 1HG GLU 19 4.705 6.264 4.505 106 HG3 GLU 19 2HG GLU 19 5.558 5.129 5.549 107 H THR 20 H THR 20 9.302 6.108 2.850 108 HA THR 20 HA THR 20 9.705 8.661 1.774 109 HB THR 20 HB THR 20 11.546 6.267 1.582 110 HG1 THR 20 1HG THR 20 12.496 7.493 3.455 111 HG21 THR 20 3HG2 THR 20 11.969 9.217 1.162 112 HG22 THR 20 1HG2 THR 20 12.366 7.886 0.075 113 HG23 THR 20 2HG2 THR 20 13.297 8.124 1.554 114 H LEU 21 H LEU 21 10.203 5.541 0.108 115 HA LEU 21 HA LEU 21 10.605 6.439 -2.438 116 HB2 LEU 21 1HB LEU 21 8.954 4.032 -1.691 117 HB3 LEU 21 2HB LEU 21 9.766 4.304 -3.231 118 HG LEU 21 HG LEU 21 11.907 4.401 -1.685 119 HD11 LEU 21 1HD1 LEU 21 11.553 3.865 0.435 120 HD12 LEU 21 2HD1 LEU 21 11.037 2.262 -0.090 121 HD13 LEU 21 3HD1 LEU 21 9.848 3.550 0.113 122 HD21 LEU 21 3HD2 LEU 21 10.449 2.150 -2.944 123 HD22 LEU 21 1HD2 LEU 21 11.809 1.749 -1.895 124 HD23 LEU 21 2HD2 LEU 21 12.052 2.801 -3.290 125 H LEU 22 H LEU 22 7.464 5.794 -0.910 126 HA LEU 22 HA LEU 22 5.887 6.476 -3.144 127 HB2 LEU 22 1HB LEU 22 5.412 6.177 -0.222 128 HB3 LEU 22 2HB LEU 22 4.178 6.976 -1.194 129 HG LEU 22 HG LEU 22 5.219 4.184 -1.672 130 HD11 LEU 22 1HD1 LEU 22 4.008 3.980 0.292 131 HD12 LEU 22 2HD1 LEU 22 2.795 3.662 -0.948 132 HD13 LEU 22 3HD1 LEU 22 2.860 5.240 -0.164 133 HD21 LEU 22 3HD2 LEU 22 2.984 4.189 -3.020 134 HD22 LEU 22 1HD2 LEU 22 4.449 4.863 -3.734 135 HD23 LEU 22 2HD2 LEU 22 3.229 5.936 -3.047 136 H GLN 23 H GLN 23 6.299 8.355 -0.136 137 HA GLN 23 HA GLN 23 5.161 10.707 -0.907 138 HB2 GLN 23 1HB GLN 23 7.536 10.178 0.862 139 HB3 GLN 23 2HB GLN 23 6.918 11.807 0.619 140 HG2 GLN 23 1HG GLN 23 4.756 11.142 1.500 141 HG3 GLN 23 2HG GLN 23 5.331 9.487 1.695 142 HE21 GLN 23 1HE2 GLN 23 4.286 10.831 3.818 143 HE22 GLN 23 2HE2 GLN 23 5.532 11.200 4.956 144 H ALA 24 H ALA 24 8.361 9.520 -1.742 145 HA ALA 24 HA ALA 24 9.382 11.895 -2.861 146 HB1 ALA 24 1HB ALA 24 10.214 9.302 -4.025 147 HB2 ALA 24 2HB ALA 24 11.190 10.659 -3.458 148 HB3 ALA 24 3HB ALA 24 10.479 9.538 -2.298 149 H LYS 25 H LYS 25 7.521 9.230 -4.252 150 HA LYS 25 HA LYS 25 7.687 9.923 -6.943 151 HB2 LYS 25 1HB LYS 25 6.737 7.810 -6.225 152 HB3 LYS 25 2HB LYS 25 5.409 8.640 -5.424 153 HG2 LYS 25 1HG LYS 25 4.424 7.941 -7.377 154 HG3 LYS 25 2HG LYS 25 4.915 9.585 -7.793 155 HD2 LYS 25 1HD LYS 25 6.848 7.390 -8.313 156 HD3 LYS 25 2HD LYS 25 5.438 7.507 -9.367 157 HE2 LYS 25 1HE LYS 25 6.965 9.992 -8.799 158 HE3 LYS 25 2HE LYS 25 7.697 8.804 -9.877 159 HZ1 LYS 25 3HZ LYS 25 6.414 9.555 -11.499 160 HZ2 LYS 25 1HZ LYS 25 5.689 10.672 -10.455 161 HZ3 LYS 25 2HZ LYS 25 5.026 9.127 -10.631 162 H GLY 26 H GLY 26 5.648 11.204 -4.382 163 HA2 GLY 26 1HA GLY 26 4.315 13.070 -4.298 164 HA3 GLY 26 2HA GLY 26 5.206 13.650 -5.698 165 H GLU 27 H GLU 27 3.408 10.654 -5.739 166 HA GLU 27 HA GLU 27 1.432 11.933 -7.511 167 HB2 GLU 27 1HB GLU 27 2.927 9.362 -7.749 168 HB3 GLU 27 2HB GLU 27 1.287 9.432 -8.379 169 HG2 GLU 27 1HG GLU 27 3.208 11.567 -9.148 170 HG3 GLU 27 2HG GLU 27 3.351 9.978 -9.896 171 HA PRO 28 HA PRO 28 -1.449 10.586 -4.404 172 HB2 PRO 28 1HB PRO 28 -3.686 11.398 -5.711 173 HB3 PRO 28 2HB PRO 28 -2.607 12.516 -4.869 174 HG2 PRO 28 1HG PRO 28 -2.763 11.874 -7.788 175 HG3 PRO 28 2HG PRO 28 -2.575 13.450 -6.998 176 HD2 PRO 28 1HD PRO 28 -0.491 12.108 -8.087 177 HD3 PRO 28 2HD PRO 28 -0.314 13.152 -6.662 178 H TRP 29 H TRP 29 -2.687 8.796 -4.078 179 HA TRP 29 HA TRP 29 -3.715 6.801 -4.459 180 HB2 TRP 29 1HB TRP 29 -3.998 7.505 -7.370 181 HB3 TRP 29 2HB TRP 29 -5.064 6.531 -6.362 182 HD1 TRP 29 HD TRP 29 -5.392 9.534 -8.083 183 HE1 TRP 29 1HE TRP 29 -6.846 11.280 -6.874 184 HE3 TRP 29 3HE TRP 29 -5.294 7.552 -3.371 185 HZ2 TRP 29 2HZ TRP 29 -7.822 11.756 -4.268 186 HZ3 TRP 29 3HZ TRP 29 -6.512 8.714 -1.577 187 HH2 TRP 29 HH TRP 29 -7.749 10.772 -2.018 188 H THR 30 H THR 30 -0.843 7.151 -4.775 189 HA THR 30 HA THR 30 -0.123 5.275 -6.888 190 HB THR 30 HB THR 30 1.614 6.806 -4.942 191 HG1 THR 30 1HG THR 30 0.604 8.083 -6.578 192 HG21 THR 30 3HG2 THR 30 3.365 6.107 -6.761 193 HG22 THR 30 1HG2 THR 30 2.238 4.783 -7.052 194 HG23 THR 30 2HG2 THR 30 2.955 4.998 -5.454 195 H PHE 31 H PHE 31 -0.780 3.267 -6.240 196 HA PHE 31 HA PHE 31 -0.131 2.315 -3.572 197 HB2 PHE 31 1HB PHE 31 -1.489 0.432 -4.056 198 HB3 PHE 31 2HB PHE 31 -2.315 1.808 -4.780 199 HD1 PHE 31 1HD PHE 31 -2.306 2.119 -7.215 200 HD2 PHE 31 2HD PHE 31 -0.602 -1.329 -5.391 201 HE1 PHE 31 1HE PHE 31 -2.332 0.961 -9.387 202 HE2 PHE 31 2HE PHE 31 -0.625 -2.492 -7.558 203 HZ PHE 31 HZ PHE 31 -1.489 -1.347 -9.561 204 H LEU 32 H LEU 32 1.000 0.271 -3.256 205 HA LEU 32 HA LEU 32 2.624 -0.809 -5.351 206 HB2 LEU 32 1HB LEU 32 4.709 -0.034 -4.792 207 HB3 LEU 32 2HB LEU 32 3.719 1.400 -4.524 208 HG LEU 32 HG LEU 32 3.667 0.570 -2.055 209 HD11 LEU 32 1HD1 LEU 32 6.257 -0.402 -1.966 210 HD12 LEU 32 2HD1 LEU 32 5.510 -1.286 -3.296 211 HD13 LEU 32 3HD1 LEU 32 4.777 -1.321 -1.693 212 HD21 LEU 32 3HD2 LEU 32 5.465 1.995 -1.553 213 HD22 LEU 32 1HD2 LEU 32 4.808 2.606 -3.071 214 HD23 LEU 32 2HD2 LEU 32 6.283 1.639 -3.074 215 H VAL 33 H VAL 33 3.055 -2.879 -4.910 216 HA VAL 33 HA VAL 33 2.389 -3.893 -2.260 217 HB VAL 33 HB VAL 33 3.157 -5.500 -4.695 218 HG11 VAL 33 1HG1 VAL 33 3.139 -6.472 -2.300 219 HG12 VAL 33 2HG1 VAL 33 1.383 -6.384 -2.451 220 HG13 VAL 33 3HG1 VAL 33 2.320 -7.359 -3.586 221 HG21 VAL 33 3HG2 VAL 33 0.552 -4.269 -3.908 222 HG22 VAL 33 1HG2 VAL 33 1.299 -4.395 -5.501 223 HG23 VAL 33 2HG2 VAL 33 0.568 -5.817 -4.754 224 H ARG 34 H ARG 34 3.796 -4.899 -0.895 225 HA ARG 34 HA ARG 34 6.523 -5.436 -1.738 226 HB2 ARG 34 1HB ARG 34 7.449 -4.139 0.202 227 HB3 ARG 34 2HB ARG 34 6.773 -3.151 -1.087 228 HG2 ARG 34 1HG ARG 34 4.951 -2.511 0.178 229 HG3 ARG 34 2HG ARG 34 5.089 -3.895 1.264 230 HD2 ARG 34 1HD ARG 34 7.305 -1.902 1.158 231 HD3 ARG 34 2HD ARG 34 5.828 -1.495 2.032 232 HE ARG 34 HE ARG 34 7.818 -3.457 2.782 233 HH11 ARG 34 2HH1 ARG 34 4.579 -2.267 3.244 234 HH12 ARG 34 1HH1 ARG 34 4.403 -2.974 4.815 235 HH21 ARG 34 2HH2 ARG 34 7.598 -4.393 4.851 236 HH22 ARG 34 1HH2 ARG 34 6.122 -4.183 5.728 237 H GLU 35 H GLU 35 7.627 -6.873 -0.384 238 HA GLU 35 HA GLU 35 5.906 -8.554 1.205 239 HB2 GLU 35 1HB GLU 35 8.776 -8.705 0.332 240 HB3 GLU 35 2HB GLU 35 8.150 -9.807 1.550 241 HG2 GLU 35 1HG GLU 35 6.475 -10.613 -0.016 242 HG3 GLU 35 2HG GLU 35 7.059 -9.485 -1.237 243 H SER 36 H SER 36 5.621 -8.440 3.328 244 HA SER 36 HA SER 36 6.594 -6.429 4.946 245 HB2 SER 36 1HB SER 36 5.774 -9.182 5.898 246 HB3 SER 36 2HB SER 36 5.736 -7.686 6.830 247 HG SER 36 HG SER 36 3.688 -8.394 5.867 248 H LEU 37 H LEU 37 7.695 -7.259 7.213 249 HA LEU 37 HA LEU 37 10.354 -8.176 6.370 250 HB2 LEU 37 1HB LEU 37 9.373 -6.489 8.642 251 HB3 LEU 37 2HB LEU 37 10.955 -7.263 8.712 252 HG LEU 37 HG LEU 37 10.201 -5.469 6.427 253 HD11 LEU 37 1HD1 LEU 37 11.629 -4.511 8.887 254 HD12 LEU 37 2HD1 LEU 37 9.882 -4.356 8.700 255 HD13 LEU 37 3HD1 LEU 37 10.965 -3.564 7.554 256 HD21 LEU 37 3HD2 LEU 37 12.245 -7.052 6.508 257 HD22 LEU 37 1HD2 LEU 37 12.911 -5.868 7.632 258 HD23 LEU 37 2HD2 LEU 37 12.475 -5.381 5.993 259 H SER 38 H SER 38 10.826 -10.227 6.758 260 HA SER 38 HA SER 38 10.650 -12.358 7.590 261 HB2 SER 38 1HB SER 38 12.231 -11.213 9.141 262 HB3 SER 38 2HB SER 38 10.875 -10.857 10.210 263 HG SER 38 HG SER 38 11.251 -13.506 9.417 264 H GLN 39 H GLN 39 8.092 -10.874 7.294 265 HA GLN 39 HA GLN 39 6.436 -11.759 9.485 266 HB2 GLN 39 1HB GLN 39 6.165 -9.696 7.834 267 HB3 GLN 39 2HB GLN 39 5.267 -10.876 6.890 268 HG2 GLN 39 1HG GLN 39 3.802 -9.559 8.322 269 HG3 GLN 39 2HG GLN 39 3.769 -11.268 8.753 270 HE21 GLN 39 1HE2 GLN 39 6.040 -8.666 9.542 271 HE22 GLN 39 2HE2 GLN 39 5.894 -8.824 11.257 272 HA PRO 40 HA PRO 40 5.641 -15.801 7.901 273 HB2 PRO 40 1HB PRO 40 3.446 -16.361 9.398 274 HB3 PRO 40 2HB PRO 40 5.086 -16.361 10.059 275 HG2 PRO 40 1HG PRO 40 2.983 -14.235 10.208 276 HG3 PRO 40 2HG PRO 40 4.076 -14.819 11.477 277 HD2 PRO 40 1HD PRO 40 4.528 -12.529 10.103 278 HD3 PRO 40 2HD PRO 40 5.844 -13.555 10.709 279 H GLY 41 H GLY 41 4.978 -15.675 5.799 280 HA2 GLY 41 1HA GLY 41 3.579 -15.311 3.990 281 HA3 GLY 41 2HA GLY 41 2.474 -16.255 4.977 282 H ASP 42 H ASP 42 3.683 -12.907 4.770 283 HA ASP 42 HA ASP 42 0.907 -11.976 4.839 284 HB2 ASP 42 1HB ASP 42 1.764 -11.877 7.158 285 HB3 ASP 42 2HB ASP 42 3.090 -10.855 6.609 286 H PHE 43 H PHE 43 0.761 -9.615 4.291 287 HA PHE 43 HA PHE 43 2.994 -8.602 2.715 288 HB2 PHE 43 1HB PHE 43 0.233 -8.902 1.519 289 HB3 PHE 43 2HB PHE 43 1.665 -8.262 0.720 290 HD1 PHE 43 1HD PHE 43 0.518 -11.347 2.473 291 HD2 PHE 43 2HD PHE 43 2.853 -9.660 -0.660 292 HE1 PHE 43 1HE PHE 43 1.075 -13.607 1.675 293 HE2 PHE 43 2HE PHE 43 3.412 -11.916 -1.465 294 HZ PHE 43 HZ PHE 43 2.522 -13.894 -0.297 295 H VAL 44 H VAL 44 2.253 -6.387 1.703 296 HA VAL 44 HA VAL 44 0.418 -4.951 3.460 297 HB VAL 44 HB VAL 44 3.323 -4.194 3.136 298 HG11 VAL 44 1HG1 VAL 44 0.946 -2.609 3.979 299 HG12 VAL 44 2HG1 VAL 44 2.492 -2.319 4.777 300 HG13 VAL 44 3HG1 VAL 44 2.350 -2.120 3.031 301 HG21 VAL 44 3HG2 VAL 44 2.486 -5.916 4.898 302 HG22 VAL 44 1HG2 VAL 44 3.590 -4.632 5.391 303 HG23 VAL 44 2HG2 VAL 44 1.866 -4.491 5.731 304 H LEU 45 H LEU 45 -0.636 -3.321 2.456 305 HA LEU 45 HA LEU 45 0.164 -2.729 -0.315 306 HB2 LEU 45 1HB LEU 45 -1.939 -3.761 -0.378 307 HB3 LEU 45 2HB LEU 45 -2.515 -2.864 1.026 308 HG LEU 45 HG LEU 45 -2.499 -0.800 -0.385 309 HD11 LEU 45 1HD1 LEU 45 -2.659 -1.494 -2.924 310 HD12 LEU 45 2HD1 LEU 45 -1.576 -2.783 -2.396 311 HD13 LEU 45 3HD1 LEU 45 -1.112 -1.097 -2.172 312 HD21 LEU 45 3HD2 LEU 45 -4.642 -1.502 -0.214 313 HD22 LEU 45 1HD2 LEU 45 -4.263 -3.141 -0.747 314 HD23 LEU 45 2HD2 LEU 45 -4.425 -1.844 -1.932 315 H SER 46 H SER 46 1.440 -0.952 -0.056 316 HA SER 46 HA SER 46 0.564 1.251 1.620 317 HB2 SER 46 1HB SER 46 3.000 1.068 -0.168 318 HB3 SER 46 2HB SER 46 2.707 2.267 1.091 319 HG SER 46 HG SER 46 3.260 -0.486 1.362 320 H VAL 47 H VAL 47 -0.204 3.186 0.927 321 HA VAL 47 HA VAL 47 -0.294 3.746 -1.941 322 HB VAL 47 HB VAL 47 -2.739 3.617 -0.176 323 HG11 VAL 47 1HG1 VAL 47 -3.158 5.548 -1.373 324 HG12 VAL 47 2HG1 VAL 47 -2.264 4.990 -2.788 325 HG13 VAL 47 3HG1 VAL 47 -3.852 4.313 -2.422 326 HG21 VAL 47 3HG2 VAL 47 -1.979 2.182 -2.717 327 HG22 VAL 47 1HG2 VAL 47 -2.119 1.478 -1.105 328 HG23 VAL 47 2HG2 VAL 47 -3.555 2.079 -1.933 329 H LEU 48 H LEU 48 -0.029 5.852 -2.403 330 HA LEU 48 HA LEU 48 0.329 7.690 -0.177 331 HB2 LEU 48 1HB LEU 48 1.943 7.416 -2.127 332 HB3 LEU 48 2HB LEU 48 0.752 8.286 -3.092 333 HG LEU 48 HG LEU 48 0.980 10.213 -1.540 334 HD11 LEU 48 1HD1 LEU 48 3.239 8.580 -0.393 335 HD12 LEU 48 2HD1 LEU 48 1.744 9.019 0.434 336 HD13 LEU 48 3HD1 LEU 48 2.900 10.270 -0.022 337 HD21 LEU 48 3HD2 LEU 48 3.404 10.720 -2.258 338 HD22 LEU 48 1HD2 LEU 48 2.188 10.461 -3.509 339 HD23 LEU 48 2HD2 LEU 48 3.317 9.169 -3.097 340 H SER 49 H SER 49 -1.681 8.295 0.517 341 HA SER 49 HA SER 49 -3.901 8.856 -1.075 342 HB2 SER 49 1HB SER 49 -4.689 10.199 0.921 343 HB3 SER 49 2HB SER 49 -4.218 8.537 1.274 344 HG SER 49 HG SER 49 -2.032 9.815 1.595 345 H ASP 50 H ASP 50 -4.859 10.847 -1.700 346 HA ASP 50 HA ASP 50 -2.957 12.740 -2.722 347 HB2 ASP 50 1HB ASP 50 -4.837 12.208 -4.113 348 HB3 ASP 50 2HB ASP 50 -5.973 12.613 -2.830 349 H GLN 51 H GLN 51 -4.154 12.370 0.271 350 HA GLN 51 HA GLN 51 -4.675 15.179 0.831 351 HB2 GLN 51 1HB GLN 51 -4.826 12.672 2.492 352 HB3 GLN 51 2HB GLN 51 -4.979 14.272 3.204 353 HG2 GLN 51 1HG GLN 51 -6.883 14.710 1.679 354 HG3 GLN 51 2HG GLN 51 -6.768 13.042 1.124 355 HE21 GLN 51 1HE2 GLN 51 -8.336 11.885 1.969 356 HE22 GLN 51 2HE2 GLN 51 -8.899 11.964 3.600 357 HA PRO 52 HA PRO 52 -0.312 15.681 1.721 358 HB2 PRO 52 1HB PRO 52 -0.458 18.362 2.128 359 HB3 PRO 52 2HB PRO 52 -0.430 17.635 0.516 360 HG2 PRO 52 1HG PRO 52 -2.764 18.627 2.107 361 HG3 PRO 52 2HG PRO 52 -2.413 18.842 0.383 362 HD2 PRO 52 1HD PRO 52 -4.171 16.994 1.292 363 HD3 PRO 52 2HD PRO 52 -3.190 16.743 -0.166 364 H LYS 53 H LYS 53 0.905 16.033 3.574 365 HA LYS 53 HA LYS 53 -0.288 15.514 6.041 366 HB2 LYS 53 1HB LYS 53 2.413 16.568 5.252 367 HB3 LYS 53 2HB LYS 53 1.972 16.402 6.946 368 HG2 LYS 53 1HG LYS 53 1.487 13.998 6.513 369 HG3 LYS 53 2HG LYS 53 2.131 14.217 4.884 370 HD2 LYS 53 1HD LYS 53 4.013 13.479 5.954 371 HD3 LYS 53 2HD LYS 53 4.185 15.217 6.209 372 HE2 LYS 53 1HE LYS 53 3.201 15.008 8.422 373 HE3 LYS 53 2HE LYS 53 2.952 13.282 8.167 374 HZ1 LYS 53 3HZ LYS 53 5.285 14.646 9.042 375 HZ2 LYS 53 1HZ LYS 53 5.619 13.717 7.667 376 HZ3 LYS 53 2HZ LYS 53 4.953 12.987 9.039 377 H ALA 54 H ALA 54 0.834 18.581 4.656 378 HA ALA 54 HA ALA 54 -0.722 19.981 6.731 379 HB1 ALA 54 1HB ALA 54 1.221 21.756 5.743 380 HB2 ALA 54 2HB ALA 54 1.131 21.032 7.349 381 HB3 ALA 54 3HB ALA 54 2.051 20.235 6.072 382 H GLY 55 H GLY 55 0.895 20.987 3.719 383 HA2 GLY 55 1HA GLY 55 -1.705 21.627 2.543 384 HA3 GLY 55 2HA GLY 55 -0.590 22.962 2.800 385 HA PRO 56 HA PRO 56 0.218 21.457 -1.457 386 HB2 PRO 56 1HB PRO 56 0.733 23.928 -2.457 387 HB3 PRO 56 2HB PRO 56 -0.902 23.274 -2.310 388 HG2 PRO 56 1HG PRO 56 0.545 25.177 -0.509 389 HG3 PRO 56 2HG PRO 56 -1.136 25.228 -1.072 390 HD2 PRO 56 1HD PRO 56 -0.450 24.330 1.389 391 HD3 PRO 56 2HD PRO 56 -1.838 23.684 0.489 392 H GLY 57 H GLY 57 2.139 20.483 -0.463 393 HA2 GLY 57 1HA GLY 57 4.514 21.095 -1.564 394 HA3 GLY 57 2HA GLY 57 4.490 22.153 -0.159 395 H SER 58 H SER 58 2.910 20.111 1.359 396 HA SER 58 HA SER 58 5.162 18.727 2.467 397 HB2 SER 58 1HB SER 58 3.793 18.234 4.252 398 HB3 SER 58 2HB SER 58 2.936 19.631 3.602 399 HG SER 58 HG SER 58 1.860 17.791 2.287 400 HA PRO 59 HA PRO 59 4.954 14.889 0.352 401 HB2 PRO 59 1HB PRO 59 5.639 13.150 2.321 402 HB3 PRO 59 2HB PRO 59 6.798 14.250 1.566 403 HG2 PRO 59 1HG PRO 59 5.341 14.524 4.168 404 HG3 PRO 59 2HG PRO 59 7.040 14.872 3.794 405 HD2 PRO 59 1HD PRO 59 5.159 16.812 3.964 406 HD3 PRO 59 2HD PRO 59 6.546 16.921 2.863 407 H LEU 60 H LEU 60 3.030 14.129 -0.291 408 HA LEU 60 HA LEU 60 0.676 13.906 0.988 409 HB2 LEU 60 1HB LEU 60 1.897 12.055 -1.036 410 HB3 LEU 60 2HB LEU 60 0.241 11.856 -0.469 411 HG LEU 60 HG LEU 60 1.310 14.308 -1.867 412 HD11 LEU 60 1HD1 LEU 60 -0.009 11.829 -2.847 413 HD12 LEU 60 2HD1 LEU 60 1.252 12.811 -3.592 414 HD13 LEU 60 3HD1 LEU 60 -0.421 13.366 -3.608 415 HD21 LEU 60 3HD2 LEU 60 -1.482 13.511 -1.049 416 HD22 LEU 60 1HD2 LEU 60 -1.069 14.911 -2.039 417 HD23 LEU 60 2HD2 LEU 60 -0.521 14.824 -0.365 418 H ARG 61 H ARG 61 -0.438 12.406 2.240 419 HA ARG 61 HA ARG 61 1.125 10.994 4.149 420 HB2 ARG 61 1HB ARG 61 -1.286 12.066 4.303 421 HB3 ARG 61 2HB ARG 61 -1.794 10.454 3.818 422 HG2 ARG 61 1HG ARG 61 -1.856 10.197 6.070 423 HG3 ARG 61 2HG ARG 61 -0.174 9.746 5.785 424 HD2 ARG 61 1HD ARG 61 0.583 11.930 6.413 425 HD3 ARG 61 2HD ARG 61 -1.071 12.534 6.490 426 HE ARG 61 HE ARG 61 -0.672 10.352 8.271 427 HH11 ARG 61 2HH1 ARG 61 -0.093 13.761 7.869 428 HH12 ARG 61 1HH1 ARG 61 -0.047 14.087 9.571 429 HH21 ARG 61 2HH2 ARG 61 -0.614 10.768 10.513 430 HH22 ARG 61 1HH2 ARG 61 -0.343 12.383 11.073 431 H VAL 62 H VAL 62 1.089 8.727 4.599 432 HA VAL 62 HA VAL 62 0.607 7.075 2.205 433 HB VAL 62 HB VAL 62 2.606 6.398 4.351 434 HG11 VAL 62 1HG1 VAL 62 3.369 5.451 1.822 435 HG12 VAL 62 2HG1 VAL 62 2.750 4.512 3.182 436 HG13 VAL 62 3HG1 VAL 62 1.640 5.135 1.961 437 HG21 VAL 62 3HG2 VAL 62 3.731 8.232 3.680 438 HG22 VAL 62 1HG2 VAL 62 4.152 7.228 2.292 439 HG23 VAL 62 2HG2 VAL 62 2.816 8.374 2.180 440 H THR 63 H THR 63 -0.872 5.536 2.409 441 HA THR 63 HA THR 63 -1.874 4.876 5.075 442 HB THR 63 HB THR 63 -2.994 4.314 2.326 443 HG1 THR 63 1HG THR 63 -4.628 5.770 3.101 444 HG21 THR 63 3HG2 THR 63 -3.533 2.468 3.843 445 HG22 THR 63 1HG2 THR 63 -4.968 3.425 3.476 446 HG23 THR 63 2HG2 THR 63 -4.153 3.618 5.029 447 H HIS 64 H HIS 64 -0.829 3.253 6.039 448 HA HIS 64 HA HIS 64 0.153 1.011 4.438 449 HB2 HIS 64 1HB HIS 64 0.605 1.563 7.375 450 HB3 HIS 64 2HB HIS 64 1.461 0.392 6.375 451 HD1 HIS 64 1HD HIS 64 3.013 1.461 4.455 452 HD2 HIS 64 2HD HIS 64 1.714 4.058 7.426 453 HE1 HIS 64 1HE HIS 64 4.519 3.469 4.298 454 HE2 HIS 64 2HE HIS 64 3.768 4.990 6.161 455 H ILE 65 H ILE 65 -1.163 -0.658 4.171 456 HA ILE 65 HA ILE 65 -2.904 -1.445 6.415 457 HB ILE 65 HB ILE 65 -3.535 -1.658 3.469 458 HG12 ILE 65 1HG1 ILE 65 -5.118 -0.098 5.484 459 HG13 ILE 65 2HG1 ILE 65 -3.684 0.615 4.754 460 HG21 ILE 65 1HG2 ILE 65 -5.823 -2.130 5.011 461 HG22 ILE 65 2HG2 ILE 65 -4.924 -3.294 4.038 462 HG23 ILE 65 3HG2 ILE 65 -4.540 -3.091 5.748 463 HD11 ILE 65 3HD1 ILE 65 -6.185 0.801 3.747 464 HD12 ILE 65 1HD1 ILE 65 -4.709 0.960 2.797 465 HD13 ILE 65 2HD1 ILE 65 -5.560 -0.583 2.850 466 H LYS 66 H LYS 66 -2.480 -3.394 7.191 467 HA LYS 66 HA LYS 66 -0.621 -5.146 5.901 468 HB2 LYS 66 1HB LYS 66 -2.190 -5.209 8.449 469 HB3 LYS 66 2HB LYS 66 -1.438 -6.689 7.868 470 HG2 LYS 66 1HG LYS 66 0.685 -5.915 8.222 471 HG3 LYS 66 2HG LYS 66 0.216 -4.223 8.041 472 HD2 LYS 66 1HD LYS 66 -0.933 -4.321 10.207 473 HD3 LYS 66 2HD LYS 66 -0.442 -6.006 10.386 474 HE2 LYS 66 1HE LYS 66 1.955 -5.097 10.070 475 HE3 LYS 66 2HE LYS 66 1.243 -3.528 10.444 476 HZ1 LYS 66 3HZ LYS 66 0.460 -5.568 12.296 477 HZ2 LYS 66 1HZ LYS 66 1.116 -4.036 12.592 478 HZ3 LYS 66 2HZ LYS 66 2.136 -5.344 12.259 479 H VAL 67 H VAL 67 -1.030 -6.726 4.503 480 HA VAL 67 HA VAL 67 -3.821 -7.499 4.041 481 HB VAL 67 HB VAL 67 -1.403 -8.003 2.302 482 HG11 VAL 67 1HG1 VAL 67 -4.138 -8.968 2.240 483 HG12 VAL 67 2HG1 VAL 67 -3.688 -8.133 0.752 484 HG13 VAL 67 3HG1 VAL 67 -2.731 -9.501 1.321 485 HG21 VAL 67 3HG2 VAL 67 -2.699 -6.282 0.841 486 HG22 VAL 67 1HG2 VAL 67 -3.420 -5.800 2.377 487 HG23 VAL 67 2HG2 VAL 67 -1.672 -5.711 2.156 488 H MET 68 H MET 68 -4.311 -9.132 5.408 489 HA MET 68 HA MET 68 -2.504 -11.151 6.220 490 HB2 MET 68 1HB MET 68 -5.445 -10.713 6.445 491 HB3 MET 68 2HB MET 68 -4.819 -12.323 6.766 492 HG2 MET 68 1HG MET 68 -3.623 -11.635 8.620 493 HG3 MET 68 2HG MET 68 -3.604 -9.950 8.105 494 HE1 MET 68 3HE MET 68 -7.032 -8.586 9.090 495 HE2 MET 68 1HE MET 68 -5.339 -8.192 8.792 496 HE3 MET 68 2HE MET 68 -6.303 -8.950 7.525 497 H CYS 69 H CYS 69 -3.053 -13.539 5.875 498 HA CYS 69 HA CYS 69 -3.905 -14.061 3.116 499 HB2 CYS 69 1HB CYS 69 -1.506 -13.977 2.973 500 HB3 CYS 69 2HB CYS 69 -1.334 -14.999 4.394 501 HG CYS 69 HG CYS 69 -0.656 -16.773 2.542 502 H GLU 70 H GLU 70 -5.189 -15.793 2.906 503 HA GLU 70 HA GLU 70 -5.368 -17.654 5.183 504 HB2 GLU 70 1HB GLU 70 -7.532 -16.364 3.554 505 HB3 GLU 70 2HB GLU 70 -7.817 -17.906 4.347 506 HG2 GLU 70 1HG GLU 70 -7.567 -16.988 6.481 507 HG3 GLU 70 2HG GLU 70 -6.791 -15.533 5.859 508 H GLY 71 H GLY 71 -3.960 -19.139 4.198 509 HA2 GLY 71 1HA GLY 71 -3.427 -20.955 2.901 510 HA3 GLY 71 2HA GLY 71 -5.156 -21.116 2.625 511 H GLY 72 H GLY 72 -2.727 -18.690 1.652 512 HA2 GLY 72 1HA GLY 72 -1.907 -18.419 -0.562 513 HA3 GLY 72 2HA GLY 72 -3.268 -19.360 -1.152 514 H ARG 73 H ARG 73 -5.316 -17.962 0.239 515 HA ARG 73 HA ARG 73 -5.660 -15.763 -1.562 516 HB2 ARG 73 1HB ARG 73 -7.309 -16.987 0.623 517 HB3 ARG 73 2HB ARG 73 -7.769 -15.434 -0.060 518 HG2 ARG 73 1HG ARG 73 -8.245 -16.337 -2.134 519 HG3 ARG 73 2HG ARG 73 -7.245 -17.764 -1.853 520 HD2 ARG 73 1HD ARG 73 -8.841 -18.718 -0.402 521 HD3 ARG 73 2HD ARG 73 -9.725 -17.200 -0.253 522 HE ARG 73 HE ARG 73 -9.900 -17.771 -2.894 523 HH11 ARG 73 2HH1 ARG 73 -10.604 -19.565 0.005 524 HH12 ARG 73 1HH1 ARG 73 -11.872 -20.495 -0.722 525 HH21 ARG 73 2HH2 ARG 73 -11.568 -18.989 -3.863 526 HH22 ARG 73 1HH2 ARG 73 -12.420 -20.168 -2.922 527 H TYR 74 H TYR 74 -6.622 -13.657 -0.548 528 HA TYR 74 HA TYR 74 -5.076 -12.842 1.806 529 HB2 TYR 74 1HB TYR 74 -5.158 -11.296 -0.793 530 HB3 TYR 74 2HB TYR 74 -4.388 -10.761 0.697 531 HD1 TYR 74 1HD TYR 74 -2.865 -12.958 1.651 532 HD2 TYR 74 2HD TYR 74 -3.571 -11.805 -2.383 533 HE1 TYR 74 1HE TYR 74 -0.776 -14.067 0.976 534 HE2 TYR 74 2HE TYR 74 -1.485 -12.912 -3.071 535 HH TYR 74 HH TYR 74 0.385 -14.859 -0.834 536 H THR 75 H THR 75 -5.966 -11.139 2.992 537 HA THR 75 HA THR 75 -8.475 -9.964 2.095 538 HB THR 75 HB THR 75 -9.128 -12.063 3.257 539 HG1 THR 75 1HG THR 75 -9.870 -9.869 4.885 540 HG21 THR 75 3HG2 THR 75 -8.899 -11.772 5.871 541 HG22 THR 75 1HG2 THR 75 -7.473 -10.841 5.415 542 HG23 THR 75 2HG2 THR 75 -7.620 -12.529 4.924 543 H VAL 76 H VAL 76 -9.214 -8.219 3.519 544 HA VAL 76 HA VAL 76 -7.031 -7.079 5.138 545 HB VAL 76 HB VAL 76 -7.685 -4.838 4.382 546 HG11 VAL 76 1HG1 VAL 76 -7.265 -6.199 1.801 547 HG12 VAL 76 2HG1 VAL 76 -6.333 -4.916 2.576 548 HG13 VAL 76 3HG1 VAL 76 -6.114 -6.593 3.078 549 HG21 VAL 76 3HG2 VAL 76 -9.117 -5.199 2.066 550 HG22 VAL 76 1HG2 VAL 76 -9.880 -6.332 3.181 551 HG23 VAL 76 2HG2 VAL 76 -9.770 -4.622 3.600 552 H GLY 77 H GLY 77 -7.943 -7.745 7.086 553 HA2 GLY 77 1HA GLY 77 -9.378 -7.707 8.884 554 HA3 GLY 77 2HA GLY 77 -9.609 -6.025 8.428 555 H GLY 78 H GLY 78 -10.523 -8.356 6.085 556 HA2 GLY 78 1HA GLY 78 -13.351 -8.033 6.880 557 HA3 GLY 78 2HA GLY 78 -12.824 -7.909 5.209 558 H LEU 79 H LEU 79 -14.818 -9.668 5.966 559 HA LEU 79 HA LEU 79 -13.755 -12.296 6.397 560 HB2 LEU 79 1HB LEU 79 -16.476 -11.269 5.633 561 HB3 LEU 79 2HB LEU 79 -16.119 -12.988 5.791 562 HG LEU 79 HG LEU 79 -15.774 -11.002 8.032 563 HD11 LEU 79 1HD1 LEU 79 -18.025 -12.933 7.991 564 HD12 LEU 79 2HD1 LEU 79 -18.171 -11.476 7.008 565 HD13 LEU 79 3HD1 LEU 79 -17.906 -11.344 8.747 566 HD21 LEU 79 3HD2 LEU 79 -14.544 -12.786 8.715 567 HD22 LEU 79 1HD2 LEU 79 -15.432 -13.928 7.707 568 HD23 LEU 79 2HD2 LEU 79 -16.135 -13.356 9.220 569 H GLU 80 H GLU 80 -14.268 -10.288 3.667 570 HA GLU 80 HA GLU 80 -14.566 -12.330 1.704 571 HB2 GLU 80 1HB GLU 80 -14.035 -9.400 1.680 572 HB3 GLU 80 2HB GLU 80 -13.640 -10.314 0.230 573 HG2 GLU 80 1HG GLU 80 -16.318 -10.699 1.455 574 HG3 GLU 80 2HG GLU 80 -16.001 -9.209 0.568 575 H THR 81 H THR 81 -12.925 -12.515 -0.126 576 HA THR 81 HA THR 81 -10.155 -12.330 0.771 577 HB THR 81 HB THR 81 -9.615 -14.613 0.400 578 HG1 THR 81 1HG THR 81 -12.286 -15.241 -0.288 579 HG21 THR 81 3HG2 THR 81 -11.100 -15.810 1.983 580 HG22 THR 81 1HG2 THR 81 -12.216 -14.447 1.926 581 HG23 THR 81 2HG2 THR 81 -10.593 -14.231 2.582 582 H PHE 82 H PHE 82 -8.665 -13.160 -1.062 583 HA PHE 82 HA PHE 82 -9.782 -12.787 -3.721 584 HB2 PHE 82 1HB PHE 82 -7.573 -11.009 -2.664 585 HB3 PHE 82 2HB PHE 82 -8.176 -11.027 -4.318 586 HD1 PHE 82 2HD PHE 82 -8.930 -10.096 -0.853 587 HD2 PHE 82 1HD PHE 82 -10.243 -9.973 -4.899 588 HE1 PHE 82 2HE PHE 82 -10.619 -8.412 -0.250 589 HE2 PHE 82 1HE PHE 82 -11.934 -8.287 -4.303 590 HZ PHE 82 HZ PHE 82 -12.124 -7.505 -1.975 591 H ASP 83 H ASP 83 -8.726 -13.938 -5.243 592 HA ASP 83 HA ASP 83 -7.170 -16.072 -4.752 593 HB2 ASP 83 1HB ASP 83 -6.873 -14.264 -7.161 594 HB3 ASP 83 2HB ASP 83 -6.339 -15.940 -7.069 595 H SER 84 H SER 84 -5.853 -12.864 -5.573 596 HA SER 84 HA SER 84 -3.625 -13.231 -3.806 597 HB2 SER 84 1HB SER 84 -3.019 -14.519 -5.935 598 HB3 SER 84 2HB SER 84 -2.933 -12.947 -6.729 599 HG SER 84 HG SER 84 -1.191 -14.127 -4.969 600 H LEU 85 H LEU 85 -1.957 -11.344 -4.306 601 HA LEU 85 HA LEU 85 -3.116 -8.957 -3.686 602 HB2 LEU 85 1HB LEU 85 -0.542 -9.717 -4.947 603 HB3 LEU 85 2HB LEU 85 -0.994 -8.014 -4.988 604 HG LEU 85 HG LEU 85 0.438 -8.353 -3.114 605 HD11 LEU 85 1HD1 LEU 85 -0.793 -7.233 -1.575 606 HD12 LEU 85 2HD1 LEU 85 -2.157 -8.343 -1.690 607 HD13 LEU 85 3HD1 LEU 85 -1.915 -7.115 -2.931 608 HD21 LEU 85 3HD2 LEU 85 -0.140 -9.951 -1.316 609 HD22 LEU 85 1HD2 LEU 85 0.237 -10.741 -2.847 610 HD23 LEU 85 2HD2 LEU 85 -1.441 -10.579 -2.329 611 H THR 86 H THR 86 -2.782 -10.393 -6.845 612 HA THR 86 HA THR 86 -3.301 -8.096 -8.403 613 HB THR 86 HB THR 86 -3.843 -11.003 -9.041 614 HG1 THR 86 1HG THR 86 -1.605 -10.283 -8.621 615 HG21 THR 86 3HG2 THR 86 -3.899 -10.314 -11.371 616 HG22 THR 86 1HG2 THR 86 -3.650 -8.633 -10.904 617 HG23 THR 86 2HG2 THR 86 -5.144 -9.459 -10.460 618 H ASP 87 H ASP 87 -5.490 -10.794 -7.578 619 HA ASP 87 HA ASP 87 -7.823 -9.575 -8.543 620 HB2 ASP 87 1HB ASP 87 -7.392 -12.037 -7.850 621 HB3 ASP 87 2HB ASP 87 -7.846 -11.500 -6.235 622 H LEU 88 H LEU 88 -6.287 -9.490 -5.372 623 HA LEU 88 HA LEU 88 -8.384 -8.180 -4.007 624 HB2 LEU 88 1HB LEU 88 -6.443 -9.389 -2.975 625 HB3 LEU 88 2HB LEU 88 -5.441 -8.001 -3.395 626 HG LEU 88 HG LEU 88 -7.875 -7.543 -1.742 627 HD11 LEU 88 1HD1 LEU 88 -7.232 -8.894 -0.107 628 HD12 LEU 88 2HD1 LEU 88 -5.757 -7.941 0.046 629 HD13 LEU 88 3HD1 LEU 88 -5.784 -9.360 -0.999 630 HD21 LEU 88 3HD2 LEU 88 -6.647 -5.719 -0.907 631 HD22 LEU 88 1HD2 LEU 88 -6.310 -5.753 -2.638 632 HD23 LEU 88 2HD2 LEU 88 -5.118 -6.373 -1.495 633 H VAL 89 H VAL 89 -5.241 -6.804 -4.992 634 HA VAL 89 HA VAL 89 -5.826 -4.146 -4.590 635 HB VAL 89 HB VAL 89 -4.099 -5.306 -6.783 636 HG11 VAL 89 1HG1 VAL 89 -3.544 -2.645 -5.613 637 HG12 VAL 89 2HG1 VAL 89 -3.306 -3.236 -7.259 638 HG13 VAL 89 3HG1 VAL 89 -4.915 -2.762 -6.716 639 HG21 VAL 89 3HG2 VAL 89 -2.507 -5.687 -5.259 640 HG22 VAL 89 1HG2 VAL 89 -2.795 -4.146 -4.450 641 HG23 VAL 89 2HG2 VAL 89 -3.793 -5.547 -4.060 642 H GLU 90 H GLU 90 -6.059 -5.860 -7.715 643 HA GLU 90 HA GLU 90 -7.097 -3.898 -9.289 644 HB2 GLU 90 1HB GLU 90 -7.761 -6.838 -9.218 645 HB3 GLU 90 2HB GLU 90 -8.371 -5.763 -10.469 646 HG2 GLU 90 1HG GLU 90 -5.445 -5.831 -9.940 647 HG3 GLU 90 2HG GLU 90 -6.186 -7.161 -10.826 648 H HIS 91 H HIS 91 -9.059 -6.167 -7.360 649 HA HIS 91 HA HIS 91 -11.545 -5.031 -7.896 650 HB2 HIS 91 1HB HIS 91 -11.489 -7.174 -6.865 651 HB3 HIS 91 2HB HIS 91 -10.526 -6.579 -5.516 652 HD1 HIS 91 1HD HIS 91 -14.000 -7.001 -6.673 653 HD2 HIS 91 2HD HIS 91 -12.000 -5.011 -3.623 654 HE1 HIS 91 1HE HIS 91 -15.775 -6.359 -5.011 655 HE2 HIS 91 2HE HIS 91 -14.554 -5.082 -3.217 656 H PHE 92 H PHE 92 -8.983 -3.920 -5.888 657 HA PHE 92 HA PHE 92 -10.712 -2.068 -4.440 658 HB2 PHE 92 1HB PHE 92 -7.936 -3.064 -4.115 659 HB3 PHE 92 2HB PHE 92 -8.252 -1.419 -3.573 660 HD1 PHE 92 2HD PHE 92 -10.787 -1.421 -2.354 661 HD2 PHE 92 1HD PHE 92 -7.876 -4.526 -2.360 662 HE1 PHE 92 2HE PHE 92 -11.720 -2.294 -0.252 663 HE2 PHE 92 1HE PHE 92 -8.805 -5.406 -0.258 664 HZ PHE 92 HZ PHE 92 -10.729 -4.289 0.800 665 H LYS 93 H LYS 93 -8.538 -2.159 -7.115 666 HA LYS 93 HA LYS 93 -7.859 0.591 -7.212 667 HB2 LYS 93 1HB LYS 93 -7.981 -1.425 -9.462 668 HB3 LYS 93 2HB LYS 93 -7.165 0.132 -9.521 669 HG2 LYS 93 1HG LYS 93 -5.915 -0.849 -7.408 670 HG3 LYS 93 2HG LYS 93 -6.370 -2.380 -8.160 671 HD2 LYS 93 1HD LYS 93 -5.077 -0.222 -9.783 672 HD3 LYS 93 2HD LYS 93 -4.097 -1.286 -8.771 673 HE2 LYS 93 1HE LYS 93 -4.883 -3.223 -9.939 674 HE3 LYS 93 2HE LYS 93 -6.067 -2.268 -10.829 675 HZ1 LYS 93 3HZ LYS 93 -4.555 -1.825 -12.366 676 HZ2 LYS 93 1HZ LYS 93 -3.467 -2.856 -11.581 677 HZ3 LYS 93 2HZ LYS 93 -3.479 -1.204 -11.217 678 H LYS 94 H LYS 94 -10.727 -1.105 -7.924 679 HA LYS 94 HA LYS 94 -11.750 1.106 -9.568 680 HB2 LYS 94 1HB LYS 94 -13.663 -0.500 -10.007 681 HB3 LYS 94 2HB LYS 94 -12.101 -0.959 -10.674 682 HG2 LYS 94 1HG LYS 94 -11.760 -2.468 -8.751 683 HG3 LYS 94 2HG LYS 94 -13.376 -2.053 -8.175 684 HD2 LYS 94 1HD LYS 94 -13.833 -3.975 -9.339 685 HD3 LYS 94 2HD LYS 94 -14.069 -2.773 -10.611 686 HE2 LYS 94 1HE LYS 94 -11.487 -3.199 -10.991 687 HE3 LYS 94 2HE LYS 94 -11.872 -4.743 -10.231 688 HZ1 LYS 94 3HZ LYS 94 -13.853 -4.327 -12.093 689 HZ2 LYS 94 1HZ LYS 94 -12.560 -5.412 -12.214 690 HZ3 LYS 94 2HZ LYS 94 -12.426 -3.861 -12.873 691 H THR 95 H THR 95 -12.232 -0.655 -6.583 692 HA THR 95 HA THR 95 -14.568 0.985 -5.925 693 HB THR 95 HB THR 95 -14.934 -0.506 -4.052 694 HG1 THR 95 1HG THR 95 -12.766 -2.132 -4.814 695 HG21 THR 95 3HG2 THR 95 -16.007 -1.719 -5.592 696 HG22 THR 95 1HG2 THR 95 -14.582 -2.756 -5.641 697 HG23 THR 95 2HG2 THR 95 -14.750 -1.433 -6.795 698 H GLY 96 H GLY 96 -11.803 -0.214 -4.013 699 HA2 GLY 96 1HA GLY 96 -10.180 1.449 -3.170 700 HA3 GLY 96 2HA GLY 96 -11.553 2.511 -2.893 701 H ILE 97 H ILE 97 -9.624 1.747 -0.942 702 HA ILE 97 HA ILE 97 -11.094 -0.094 0.799 703 HB ILE 97 HB ILE 97 -8.317 1.060 1.078 704 HG12 ILE 97 1HG1 ILE 97 -8.915 -1.851 0.770 705 HG13 ILE 97 2HG1 ILE 97 -8.985 -0.826 -0.660 706 HG21 ILE 97 1HG2 ILE 97 -8.034 -0.203 3.040 707 HG22 ILE 97 2HG2 ILE 97 -9.596 0.591 3.223 708 HG23 ILE 97 3HG2 ILE 97 -9.521 -1.111 2.769 709 HD11 ILE 97 3HD1 ILE 97 -6.772 -2.071 0.122 710 HD12 ILE 97 1HD1 ILE 97 -6.750 -0.519 -0.714 711 HD13 ILE 97 2HD1 ILE 97 -6.584 -0.578 1.041 712 H GLU 98 H GLU 98 -11.999 0.518 2.701 713 HA GLU 98 HA GLU 98 -12.079 3.402 3.237 714 HB2 GLU 98 1HB GLU 98 -14.260 2.480 2.904 715 HB3 GLU 98 2HB GLU 98 -13.933 1.150 4.008 716 HG2 GLU 98 1HG GLU 98 -15.331 2.638 5.170 717 HG3 GLU 98 2HG GLU 98 -13.714 2.868 5.834 718 H GLU 99 H GLU 99 -11.173 4.237 5.006 719 HA GLU 99 HA GLU 99 -9.965 2.398 6.935 720 HB2 GLU 99 1HB GLU 99 -9.540 5.376 6.654 721 HB3 GLU 99 2HB GLU 99 -8.581 4.261 7.617 722 HG2 GLU 99 1HG GLU 99 -7.596 3.296 5.741 723 HG3 GLU 99 2HG GLU 99 -8.832 3.925 4.654 724 H ALA 100 H ALA 100 -10.704 2.169 8.946 725 HA ALA 100 HA ALA 100 -13.108 2.789 9.905 726 HB1 ALA 100 1HB ALA 100 -10.847 1.768 11.030 727 HB2 ALA 100 2HB ALA 100 -11.086 3.239 11.974 728 HB3 ALA 100 3HB ALA 100 -12.369 2.033 11.881 729 H SER 101 H SER 101 -10.348 4.998 9.954 730 HA SER 101 HA SER 101 -11.404 7.052 11.484 731 HB2 SER 101 1HB SER 101 -9.538 7.174 9.107 732 HB3 SER 101 2HB SER 101 -9.883 8.553 10.150 733 HG SER 101 HG SER 101 -8.679 6.093 10.889 734 H GLY 102 H GLY 102 -11.675 6.553 7.972 735 HA2 GLY 102 1HA GLY 102 -14.071 7.049 7.226 736 HA3 GLY 102 2HA GLY 102 -13.762 8.635 7.916 737 H ALA 103 H ALA 103 -11.292 6.836 6.229 738 HA ALA 103 HA ALA 103 -11.474 8.777 4.016 739 HB1 ALA 103 1HB ALA 103 -8.937 8.127 3.810 740 HB2 ALA 103 2HB ALA 103 -9.469 9.346 4.970 741 HB3 ALA 103 3HB ALA 103 -9.134 7.701 5.511 742 H PHE 104 H PHE 104 -11.020 8.048 1.909 743 HA PHE 104 HA PHE 104 -11.170 5.123 1.579 744 HB2 PHE 104 1HB PHE 104 -12.653 7.337 0.269 745 HB3 PHE 104 2HB PHE 104 -12.181 5.984 -0.754 746 HD1 PHE 104 1HD PHE 104 -14.133 6.960 2.212 747 HD2 PHE 104 2HD PHE 104 -13.265 3.883 -0.597 748 HE1 PHE 104 1HE PHE 104 -16.071 5.679 3.022 749 HE2 PHE 104 2HE PHE 104 -15.203 2.597 0.206 750 HZ PHE 104 HZ PHE 104 -16.610 3.495 2.018 751 H VAL 105 H VAL 105 -9.219 4.429 0.988 752 HA VAL 105 HA VAL 105 -7.343 6.054 -0.429 753 HB VAL 105 HB VAL 105 -7.315 3.112 0.249 754 HG11 VAL 105 1HG1 VAL 105 -5.989 3.672 -1.794 755 HG12 VAL 105 2HG1 VAL 105 -5.018 4.758 -0.797 756 HG13 VAL 105 3HG1 VAL 105 -5.035 3.027 -0.459 757 HG21 VAL 105 3HG2 VAL 105 -6.578 5.553 1.658 758 HG22 VAL 105 1HG2 VAL 105 -6.838 3.922 2.276 759 HG23 VAL 105 2HG2 VAL 105 -5.272 4.368 1.599 760 H TYR 106 H TYR 106 -6.843 6.100 -2.553 761 HA TYR 106 HA TYR 106 -8.402 4.347 -4.338 762 HB2 TYR 106 1HB TYR 106 -7.442 7.164 -4.883 763 HB3 TYR 106 2HB TYR 106 -8.374 6.157 -5.987 764 HD1 TYR 106 1HD TYR 106 -10.241 5.001 -3.836 765 HD2 TYR 106 2HD TYR 106 -8.995 8.969 -4.735 766 HE1 TYR 106 1HE TYR 106 -12.328 5.870 -2.867 767 HE2 TYR 106 2HE TYR 106 -11.079 9.849 -3.769 768 HH TYR 106 HH TYR 106 -13.725 7.821 -2.952 769 H LEU 107 H LEU 107 -7.374 3.359 -6.029 770 HA LEU 107 HA LEU 107 -4.457 3.742 -6.200 771 HB2 LEU 107 1HB LEU 107 -5.844 1.137 -6.746 772 HB3 LEU 107 2HB LEU 107 -4.125 1.431 -6.486 773 HG LEU 107 HG LEU 107 -4.998 2.180 -4.094 774 HD11 LEU 107 1HD1 LEU 107 -6.868 -0.069 -4.403 775 HD12 LEU 107 2HD1 LEU 107 -7.376 1.450 -5.140 776 HD13 LEU 107 3HD1 LEU 107 -6.993 1.390 -3.420 777 HD21 LEU 107 3HD2 LEU 107 -4.966 -0.622 -3.903 778 HD22 LEU 107 1HD2 LEU 107 -3.626 0.496 -3.650 779 HD23 LEU 107 2HD2 LEU 107 -3.900 -0.204 -5.245 780 H ARG 108 H ARG 108 -4.583 5.138 -7.959 781 HA ARG 108 HA ARG 108 -6.001 4.321 -10.350 782 HB2 ARG 108 1HB ARG 108 -4.145 6.678 -10.009 783 HB3 ARG 108 2HB ARG 108 -5.358 6.447 -11.262 784 HG2 ARG 108 1HG ARG 108 -7.025 6.383 -9.272 785 HG3 ARG 108 2HG ARG 108 -5.719 7.181 -8.394 786 HD2 ARG 108 1HD ARG 108 -7.200 8.847 -9.313 787 HD3 ARG 108 2HD ARG 108 -5.649 8.918 -10.148 788 HE ARG 108 HE ARG 108 -6.719 8.355 -12.086 789 HH11 ARG 108 2HH1 ARG 108 -8.773 7.553 -9.393 790 HH12 ARG 108 1HH1 ARG 108 -10.131 7.137 -10.384 791 HH21 ARG 108 2HH2 ARG 108 -8.500 7.810 -13.403 792 HH22 ARG 108 1HH2 ARG 108 -9.974 7.283 -12.665 793 H GLN 109 H GLN 109 -2.642 4.766 -9.312 794 HA GLN 109 HA GLN 109 -1.800 2.904 -11.395 795 HB2 GLN 109 1HB GLN 109 -0.033 4.330 -12.202 796 HB3 GLN 109 2HB GLN 109 -1.558 5.192 -12.339 797 HG2 GLN 109 1HG GLN 109 0.143 5.577 -9.921 798 HG3 GLN 109 2HG GLN 109 0.555 6.397 -11.426 799 HE21 GLN 109 1HE2 GLN 109 -0.208 7.638 -8.985 800 HE22 GLN 109 2HE2 GLN 109 -1.674 8.503 -9.276 801 HA PRO 110 HA PRO 110 0.674 1.347 -8.103 802 HB2 PRO 110 1HB PRO 110 2.451 -0.095 -9.564 803 HB3 PRO 110 2HB PRO 110 0.777 -0.605 -9.310 804 HG2 PRO 110 1HG PRO 110 2.001 0.766 -11.672 805 HG3 PRO 110 2HG PRO 110 0.845 -0.576 -11.634 806 HD2 PRO 110 1HD PRO 110 0.093 1.981 -12.111 807 HD3 PRO 110 2HD PRO 110 -0.954 0.819 -11.272 808 H TYR 111 H TYR 111 3.331 0.801 -8.110 809 HA TYR 111 HA TYR 111 4.647 3.351 -8.760 810 HB2 TYR 111 1HB TYR 111 4.146 3.397 -6.387 811 HB3 TYR 111 2HB TYR 111 4.864 1.804 -6.170 812 HD1 TYR 111 1HD TYR 111 5.730 5.251 -7.304 813 HD2 TYR 111 2HD TYR 111 7.088 1.634 -5.523 814 HE1 TYR 111 1HE TYR 111 7.905 6.303 -6.840 815 HE2 TYR 111 2HE TYR 111 9.266 2.676 -5.052 816 HH TYR 111 HH TYR 111 10.503 5.050 -6.426 817 H TYR 112 H TYR 112 6.138 2.897 -10.235 818 HA TYR 112 HA TYR 112 7.497 0.310 -10.183 819 HB2 TYR 112 1HB TYR 112 7.817 2.451 -12.280 820 HB3 TYR 112 2HB TYR 112 8.136 0.726 -12.428 821 HD1 TYR 112 1HD TYR 112 5.927 -0.747 -11.821 822 HD2 TYR 112 2HD TYR 112 5.946 3.213 -13.377 823 HE1 TYR 112 1HE TYR 112 3.662 -1.094 -12.716 824 HE2 TYR 112 2HE TYR 112 3.681 2.878 -14.275 825 HH TYR 112 HH TYR 112 2.242 -0.140 -14.551 826 H SER 113 H SER 113 9.739 0.095 -10.124 827 HA SER 113 HA SER 113 11.156 2.441 -9.049 828 HB2 SER 113 1HB SER 113 10.947 0.534 -7.485 829 HB3 SER 113 2HB SER 113 11.792 -0.492 -8.644 830 HG SER 113 HG SER 113 12.794 1.733 -7.213 831 H GLY 114 H GLY 114 11.835 3.286 -11.028 832 HA2 GLY 114 1HA GLY 114 14.291 2.774 -11.985 833 HA3 GLY 114 2HA GLY 114 13.319 1.609 -12.873 834 HA PRO 115 HA PRO 115 12.097 6.144 -14.183 835 HB2 PRO 115 1HB PRO 115 14.143 7.913 -13.944 836 HB3 PRO 115 2HB PRO 115 12.937 7.660 -12.676 837 HG2 PRO 115 1HG PRO 115 15.709 6.551 -12.905 838 HG3 PRO 115 2HG PRO 115 14.883 7.213 -11.482 839 HD2 PRO 115 1HD PRO 115 15.122 4.552 -11.921 840 HD3 PRO 115 2HD PRO 115 13.721 5.261 -11.092 841 H SER 116 H SER 116 12.862 7.460 -16.082 842 HA SER 116 HA SER 116 14.626 5.805 -17.756 843 HB2 SER 116 1HB SER 116 12.586 7.847 -18.667 844 HB3 SER 116 2HB SER 116 13.455 6.693 -19.677 845 HG SER 116 HG SER 116 12.134 5.150 -19.066 846 H SER 117 H SER 117 13.793 9.199 -17.090 847 HA SER 117 HA SER 117 16.153 10.156 -18.450 848 HB2 SER 117 1HB SER 117 13.937 11.502 -16.914 849 HB3 SER 117 2HB SER 117 15.353 12.394 -17.469 850 HG SER 117 HG SER 117 13.955 10.786 -19.290 851 H GLY 118 H GLY 118 17.561 11.800 -17.261 852 HA2 GLY 118 1HA GLY 118 18.232 10.702 -14.599 853 HA3 GLY 118 2HA GLY 118 19.438 11.248 -15.756 854 H1 MET 1 H MET 1 17.816 7.819 19.075 855 HA MET 1 HA MET 1 14.953 7.492 18.737 856 HB2 MET 1 1HB MET 1 16.930 9.468 17.592 857 HB3 MET 1 2HB MET 1 15.217 9.471 17.198 858 HG2 MET 1 1HG MET 1 14.608 10.016 19.411 859 HG3 MET 1 2HG MET 1 16.228 9.681 20.015 860 HE1 MET 1 3HE MET 1 18.240 12.766 19.383 861 HE2 MET 1 1HE MET 1 17.734 11.683 20.679 862 HE3 MET 1 2HE MET 1 18.344 11.019 19.163 863 H ASP 2 H ASP 2 14.423 5.769 17.522 864 HA ASP 2 HA ASP 2 15.473 5.688 14.785 865 HB2 ASP 2 1HB ASP 2 15.401 3.130 14.999 866 HB3 ASP 2 2HB ASP 2 16.749 3.968 15.760 867 H ASN 3 H ASN 3 14.046 4.877 13.230 868 HA ASN 3 HA ASN 3 11.302 5.324 13.749 869 HB2 ASN 3 1HB ASN 3 12.571 3.930 11.382 870 HB3 ASN 3 2HB ASN 3 10.941 4.595 11.442 871 HD21 ASN 3 1HD2 ASN 3 10.760 6.922 11.811 872 HD22 ASN 3 2HD2 ASN 3 11.973 7.961 11.153 873 H GLN 4 H GLN 4 10.823 3.905 15.496 874 HA GLN 4 HA GLN 4 11.184 1.191 15.644 875 HB2 GLN 4 1HB GLN 4 8.731 2.724 16.520 876 HB3 GLN 4 2HB GLN 4 9.192 1.125 17.085 877 HG2 GLN 4 1HG GLN 4 11.241 2.065 18.044 878 HG3 GLN 4 2HG GLN 4 10.746 3.668 17.503 879 HE21 GLN 4 1HE2 GLN 4 11.145 3.835 19.955 880 HE22 GLN 4 2HE2 GLN 4 9.742 3.662 20.948 881 H GLY 5 H GLY 5 8.606 2.935 13.953 882 HA2 GLY 5 1HA GLY 5 8.302 1.058 11.918 883 HA3 GLY 5 2HA GLY 5 7.141 0.642 13.170 884 H VAL 6 H VAL 6 5.509 1.078 11.554 885 HA VAL 6 HA VAL 6 4.797 3.921 11.520 886 HB VAL 6 HB VAL 6 3.993 3.675 9.158 887 HG11 VAL 6 1HG1 VAL 6 6.946 3.208 9.215 888 HG12 VAL 6 2HG1 VAL 6 6.011 4.357 8.255 889 HG13 VAL 6 3HG1 VAL 6 6.262 4.643 9.977 890 HG21 VAL 6 3HG2 VAL 6 5.817 1.575 8.423 891 HG22 VAL 6 1HG2 VAL 6 4.629 0.985 9.585 892 HG23 VAL 6 2HG2 VAL 6 4.095 1.732 8.079 893 H ILE 7 H ILE 7 2.653 4.326 11.761 894 HA ILE 7 HA ILE 7 0.984 2.271 12.752 895 HB ILE 7 HB ILE 7 0.114 4.997 11.793 896 HG12 ILE 7 1HG1 ILE 7 2.039 4.934 13.482 897 HG13 ILE 7 2HG1 ILE 7 0.622 5.879 13.924 898 HG21 ILE 7 1HG2 ILE 7 -1.132 2.869 13.477 899 HG22 ILE 7 2HG2 ILE 7 -1.551 4.560 13.744 900 HG23 ILE 7 3HG2 ILE 7 -1.836 3.820 12.170 901 HD11 ILE 7 3HD1 ILE 7 1.856 3.977 15.470 902 HD12 ILE 7 1HD1 ILE 7 0.236 4.631 15.719 903 HD13 ILE 7 2HD1 ILE 7 0.452 3.126 14.824 904 H PTR 8 H PTR 8 -1.054 1.549 11.901 905 HA PTR 8 HA PTR 8 -1.161 1.589 8.956 906 HB2 PTR 8 2HB PTR 8 -1.565 -0.672 10.893 907 HB3 PTR 8 3HB PTR 8 -2.312 -0.713 9.299 908 HD1 PTR 8 1HD PTR 8 1.016 -0.175 10.906 909 HD2 PTR 8 2HD PTR 8 -1.131 -1.638 7.536 910 HE1 PTR 8 1HE PTR 8 3.113 -1.039 9.953 911 HE2 PTR 8 2HE PTR 8 0.959 -2.507 6.574 912 H SER 9 H SER 9 -2.775 2.944 8.470 913 HA SER 9 HA SER 9 -4.923 3.714 9.972 914 HB2 SER 9 1HB SER 9 -4.518 3.493 7.008 915 HB3 SER 9 2HB SER 9 -6.091 3.980 7.639 916 HG SER 9 HG SER 9 -3.648 5.234 8.346 917 H ASP 10 H ASP 10 -6.336 2.473 11.004 918 HA ASP 10 HA ASP 10 -6.968 -0.161 10.513 919 HB2 ASP 10 1HB ASP 10 -8.287 2.057 11.982 920 HB3 ASP 10 2HB ASP 10 -9.273 0.640 11.633 921 H LEU 11 H LEU 11 -9.421 -0.812 10.084 922 HA LEU 11 HA LEU 11 -10.235 0.465 7.556 923 HB2 LEU 11 1HB LEU 11 -9.729 -2.373 8.216 924 HB3 LEU 11 2HB LEU 11 -11.136 -2.037 7.209 925 HG LEU 11 HG LEU 11 -9.830 -1.217 5.452 926 HD11 LEU 11 1HD1 LEU 11 -7.632 -0.947 7.484 927 HD12 LEU 11 2HD1 LEU 11 -8.401 0.318 6.526 928 HD13 LEU 11 3HD1 LEU 11 -7.343 -0.858 5.746 929 HD21 LEU 11 3HD2 LEU 11 -8.743 -3.634 6.787 930 HD22 LEU 11 1HD2 LEU 11 -7.830 -2.962 5.436 931 HD23 LEU 11 2HD2 LEU 11 -9.508 -3.456 5.207 932 H ASN 12 H ASN 12 -12.552 -0.725 7.012 933 HA ASN 12 HA ASN 12 -14.256 0.153 9.213 934 HB2 ASN 12 1HB ASN 12 -15.127 1.149 7.348 935 HB3 ASN 12 2HB ASN 12 -14.571 -0.130 6.274 936 HD21 ASN 12 1HD2 ASN 12 -15.817 -2.006 6.050 937 HD22 ASN 12 2HD2 ASN 12 -17.488 -2.036 6.485 938 H LEU 13 H LEU 13 -14.312 -2.541 6.871 939 HA LEU 13 HA LEU 13 -16.152 -4.190 7.900 940 HB2 LEU 13 1HB LEU 13 -13.590 -5.555 7.371 941 HB3 LEU 13 2HB LEU 13 -15.198 -5.869 6.721 942 HG LEU 13 HG LEU 13 -14.716 -3.614 5.419 943 HD11 LEU 13 1HD1 LEU 13 -12.596 -3.112 6.416 944 HD12 LEU 13 2HD1 LEU 13 -12.331 -3.560 4.731 945 HD13 LEU 13 3HD1 LEU 13 -11.975 -4.714 6.017 946 HD21 LEU 13 3HD2 LEU 13 -14.781 -6.289 4.796 947 HD22 LEU 13 1HD2 LEU 13 -13.216 -5.776 4.168 948 HD23 LEU 13 2HD2 LEU 13 -14.688 -4.961 3.638 949 HA PRO 14 HA PRO 14 -13.128 -5.934 11.262 950 HB2 PRO 14 1HB PRO 14 -10.907 -4.462 11.778 951 HB3 PRO 14 2HB PRO 14 -10.945 -5.752 10.569 952 HG2 PRO 14 1HG PRO 14 -11.175 -2.792 10.189 953 HG3 PRO 14 2HG PRO 14 -10.251 -3.973 9.242 954 HD2 PRO 14 1HD PRO 14 -12.648 -3.010 8.430 955 HD3 PRO 14 2HD PRO 14 -12.104 -4.657 8.053 956 HA PRO 15 HA PRO 15 -14.829 -3.328 14.384 957 HB2 PRO 15 1HB PRO 15 -13.741 -4.484 16.585 958 HB3 PRO 15 2HB PRO 15 -15.044 -5.231 15.654 959 HG2 PRO 15 1HG PRO 15 -12.102 -5.778 15.568 960 HG3 PRO 15 2HG PRO 15 -13.454 -6.925 15.554 961 HD2 PRO 15 1HD PRO 15 -12.125 -6.213 13.305 962 HD3 PRO 15 2HD PRO 15 -13.853 -6.622 13.304 Start of MODEL 2 1 H1 GLY 1 H GLY 1 19.216 -9.409 -20.415 2 HA2 GLY 1 1HA GLY 1 18.785 -9.708 -18.135 3 HA3 GLY 1 2HA GLY 1 19.369 -8.050 -18.148 4 H SER 2 H SER 2 17.685 -8.905 -16.161 5 HA SER 2 HA SER 2 15.017 -7.942 -16.876 6 HB2 SER 2 1HB SER 2 15.485 -10.094 -15.504 7 HB3 SER 2 2HB SER 2 15.793 -8.989 -14.165 8 HG SER 2 HG SER 2 13.717 -8.932 -13.929 9 H SER 3 H SER 3 14.949 -5.775 -16.864 10 HA SER 3 HA SER 3 16.468 -4.187 -15.021 11 HB2 SER 3 1HB SER 3 14.487 -3.612 -17.194 12 HB3 SER 3 2HB SER 3 14.900 -2.342 -16.042 13 HG SER 3 HG SER 3 16.639 -2.056 -17.166 14 H GLY 4 H GLY 4 15.810 -4.744 -12.948 15 HA2 GLY 4 1HA GLY 4 14.518 -4.673 -11.052 16 HA3 GLY 4 2HA GLY 4 13.769 -3.264 -11.787 17 H SER 5 H SER 5 11.843 -4.024 -10.649 18 HA SER 5 HA SER 5 10.602 -6.468 -11.537 19 HB2 SER 5 1HB SER 5 10.378 -5.208 -9.231 20 HB3 SER 5 2HB SER 5 9.092 -4.339 -10.071 21 HG SER 5 HG SER 5 8.938 -6.699 -8.941 22 H SER 6 H SER 6 8.129 -6.191 -12.119 23 HA SER 6 HA SER 6 7.975 -4.217 -14.304 24 HB2 SER 6 1HB SER 6 7.110 -7.095 -14.191 25 HB3 SER 6 2HB SER 6 6.360 -5.972 -15.325 26 HG SER 6 HG SER 6 8.063 -6.138 -16.528 27 H GLY 7 H GLY 7 5.897 -6.275 -12.255 28 HA2 GLY 7 1HA GLY 7 3.622 -4.570 -12.584 29 HA3 GLY 7 2HA GLY 7 3.762 -5.913 -11.461 30 H TRP 8 H TRP 8 3.043 -5.034 -9.602 31 HA TRP 8 HA TRP 8 4.384 -2.583 -8.664 32 HB2 TRP 8 1HB TRP 8 2.245 -2.669 -7.059 33 HB3 TRP 8 2HB TRP 8 2.209 -1.891 -8.639 34 HD1 TRP 8 HD TRP 8 0.127 -2.518 -9.968 35 HE1 TRP 8 1HE TRP 8 -1.412 -4.572 -10.145 36 HE3 TRP 8 3HE TRP 8 2.495 -5.595 -6.643 37 HZ2 TRP 8 2HZ TRP 8 -1.598 -7.156 -9.024 38 HZ3 TRP 8 3HZ TRP 8 1.572 -7.843 -6.252 39 HH2 TRP 8 HH TRP 8 -0.433 -8.604 -7.418 40 H TYR 9 H TYR 9 5.275 -5.395 -8.414 41 HA TYR 9 HA TYR 9 5.116 -5.746 -5.500 42 HB2 TYR 9 1HB TYR 9 4.565 -7.613 -7.277 43 HB3 TYR 9 2HB TYR 9 6.315 -7.804 -7.311 44 HD1 TYR 9 1HD TYR 9 3.310 -8.045 -5.188 45 HD2 TYR 9 2HD TYR 9 7.483 -8.821 -5.489 46 HE1 TYR 9 1HE TYR 9 3.187 -9.454 -3.175 47 HE2 TYR 9 2HE TYR 9 7.371 -10.233 -3.477 48 HH TYR 9 HH TYR 9 6.026 -11.209 -1.986 49 H HIS 10 H HIS 10 6.816 -5.258 -4.289 50 HA HIS 10 HA HIS 10 9.415 -4.871 -5.616 51 HB2 HIS 10 1HB HIS 10 8.235 -3.626 -3.133 52 HB3 HIS 10 2HB HIS 10 9.936 -3.474 -3.560 53 HD1 HIS 10 1HD HIS 10 10.547 -1.710 -5.241 54 HD2 HIS 10 2HD HIS 10 6.449 -2.350 -5.008 55 HE1 HIS 10 1HE HIS 10 9.502 0.114 -6.621 56 HE2 HIS 10 2HE HIS 10 7.019 -0.242 -6.396 57 H GLY 11 H GLY 11 8.195 -5.736 -2.369 58 HA2 GLY 11 1HA GLY 11 8.721 -7.629 -1.108 59 HA3 GLY 11 2HA GLY 11 9.867 -8.109 -2.351 60 H HIS 12 H HIS 12 10.569 -8.382 0.259 61 HA HIS 12 HA HIS 12 11.973 -7.652 1.939 62 HB2 HIS 12 1HB HIS 12 13.398 -7.536 -0.669 63 HB3 HIS 12 2HB HIS 12 14.221 -6.856 0.732 64 HD1 HIS 12 1HD HIS 12 13.281 -10.056 -0.853 65 HD2 HIS 12 2HD HIS 12 14.827 -8.757 2.778 66 HE1 HIS 12 1HE HIS 12 14.183 -12.117 0.269 67 HE2 HIS 12 2HE HIS 12 15.037 -11.321 2.501 68 H MET 13 H MET 13 10.133 -5.687 1.616 69 HA MET 13 HA MET 13 11.757 -3.254 1.915 70 HB2 MET 13 1HB MET 13 10.668 -3.033 -0.210 71 HB3 MET 13 2HB MET 13 9.125 -3.539 0.465 72 HG2 MET 13 1HG MET 13 9.054 -1.505 1.819 73 HG3 MET 13 2HG MET 13 10.592 -0.997 1.127 74 HE1 MET 13 3HE MET 13 9.907 -1.433 -2.438 75 HE2 MET 13 1HE MET 13 10.138 0.283 -2.098 76 HE3 MET 13 2HE MET 13 11.055 -0.924 -1.198 77 H SER 14 H SER 14 11.272 -1.976 3.632 78 HA SER 14 HA SER 14 9.308 -3.034 5.521 79 HB2 SER 14 1HB SER 14 10.424 -1.501 7.148 80 HB3 SER 14 2HB SER 14 11.526 -2.674 6.426 81 HG SER 14 HG SER 14 12.032 -0.229 6.533 82 H GLY 15 H GLY 15 8.395 -1.101 6.977 83 HA2 GLY 15 1HA GLY 15 6.577 0.294 5.283 84 HA3 GLY 15 2HA GLY 15 6.709 0.466 7.026 85 H GLY 16 H GLY 16 8.937 1.587 7.633 86 HA2 GLY 16 1HA GLY 16 8.780 4.242 7.077 87 HA3 GLY 16 2HA GLY 16 10.293 3.449 7.486 88 H GLN 17 H GLN 17 10.220 1.795 5.041 89 HA GLN 17 HA GLN 17 11.609 3.609 3.333 90 HB2 GLN 17 1HB GLN 17 11.880 1.007 3.700 91 HB3 GLN 17 2HB GLN 17 10.722 0.922 2.379 92 HG2 GLN 17 1HG GLN 17 12.891 0.761 1.443 93 HG3 GLN 17 2HG GLN 17 12.258 2.356 1.040 94 HE21 GLN 17 1HE2 GLN 17 13.900 3.714 0.999 95 HE22 GLN 17 2HE2 GLN 17 15.134 3.851 2.200 96 H ALA 18 H ALA 18 8.791 1.532 2.636 97 HA ALA 18 HA ALA 18 7.980 2.469 0.251 98 HB1 ALA 18 1HB ALA 18 5.989 1.475 0.650 99 HB2 ALA 18 2HB ALA 18 6.840 0.863 2.068 100 HB3 ALA 18 3HB ALA 18 5.781 2.267 2.212 101 H GLU 19 H GLU 19 7.367 4.069 3.355 102 HA GLU 19 HA GLU 19 5.729 6.131 2.488 103 HB2 GLU 19 1HB GLU 19 7.612 5.761 4.757 104 HB3 GLU 19 2HB GLU 19 7.087 7.403 4.413 105 HG2 GLU 19 1HG GLU 19 4.707 6.332 4.411 106 HG3 GLU 19 2HG GLU 19 5.500 5.061 5.340 107 H THR 20 H THR 20 9.272 5.993 2.585 108 HA THR 20 HA THR 20 9.725 8.614 1.652 109 HB THR 20 HB THR 20 11.512 6.193 1.351 110 HG1 THR 20 1HG THR 20 10.979 7.960 3.461 111 HG21 THR 20 3HG2 THR 20 12.562 7.696 -0.014 112 HG22 THR 20 1HG2 THR 20 13.221 8.221 1.535 113 HG23 THR 20 2HG2 THR 20 11.870 9.093 0.809 114 H LEU 21 H LEU 21 9.909 5.510 -0.101 115 HA LEU 21 HA LEU 21 10.375 6.519 -2.637 116 HB2 LEU 21 1HB LEU 21 8.730 4.097 -1.919 117 HB3 LEU 21 2HB LEU 21 9.464 4.424 -3.488 118 HG LEU 21 HG LEU 21 11.679 4.458 -2.034 119 HD11 LEU 21 1HD1 LEU 21 9.670 3.419 -0.229 120 HD12 LEU 21 2HD1 LEU 21 11.340 3.891 0.088 121 HD13 LEU 21 3HD1 LEU 21 10.979 2.266 -0.494 122 HD21 LEU 21 3HD2 LEU 21 11.473 2.991 -3.865 123 HD22 LEU 21 1HD2 LEU 21 10.180 2.075 -3.089 124 HD23 LEU 21 2HD2 LEU 21 11.830 1.962 -2.477 125 H LEU 22 H LEU 22 7.231 5.700 -1.173 126 HA LEU 22 HA LEU 22 5.629 6.525 -3.307 127 HB2 LEU 22 1HB LEU 22 5.163 6.258 -0.362 128 HB3 LEU 22 2HB LEU 22 3.904 6.903 -1.413 129 HG LEU 22 HG LEU 22 5.169 4.206 -1.847 130 HD11 LEU 22 1HD1 LEU 22 3.057 3.327 -0.811 131 HD12 LEU 22 2HD1 LEU 22 2.766 4.955 -0.200 132 HD13 LEU 22 3HD1 LEU 22 4.198 4.065 0.313 133 HD21 LEU 22 3HD2 LEU 22 2.895 3.895 -2.991 134 HD22 LEU 22 1HD2 LEU 22 4.103 4.884 -3.810 135 HD23 LEU 22 2HD2 LEU 22 2.778 5.654 -2.936 136 H GLN 23 H GLN 23 6.197 8.307 -0.266 137 HA GLN 23 HA GLN 23 5.025 10.691 -0.927 138 HB2 GLN 23 1HB GLN 23 7.435 10.079 0.764 139 HB3 GLN 23 2HB GLN 23 6.845 11.726 0.579 140 HG2 GLN 23 1HG GLN 23 4.696 11.089 1.501 141 HG3 GLN 23 2HG GLN 23 5.230 9.413 1.627 142 HE21 GLN 23 1HE2 GLN 23 4.311 11.283 3.688 143 HE22 GLN 23 2HE2 GLN 23 5.582 11.360 4.855 144 H ALA 24 H ALA 24 8.399 9.756 -1.557 145 HA ALA 24 HA ALA 24 9.299 12.084 -2.740 146 HB1 ALA 24 1HB ALA 24 10.043 9.268 -3.523 147 HB2 ALA 24 2HB ALA 24 10.987 10.725 -3.839 148 HB3 ALA 24 3HB ALA 24 10.740 10.178 -2.182 149 H LYS 25 H LYS 25 7.528 9.396 -4.208 150 HA LYS 25 HA LYS 25 7.676 10.153 -6.876 151 HB2 LYS 25 1HB LYS 25 6.737 8.007 -6.036 152 HB3 LYS 25 2HB LYS 25 5.307 8.878 -5.495 153 HG2 LYS 25 1HG LYS 25 4.644 7.989 -7.523 154 HG3 LYS 25 2HG LYS 25 5.111 9.636 -7.951 155 HD2 LYS 25 1HD LYS 25 7.442 8.556 -8.403 156 HD3 LYS 25 2HD LYS 25 6.519 7.056 -8.504 157 HE2 LYS 25 1HE LYS 25 5.084 8.086 -10.221 158 HE3 LYS 25 2HE LYS 25 6.065 9.549 -10.141 159 HZ1 LYS 25 3HZ LYS 25 7.945 8.360 -10.955 160 HZ2 LYS 25 1HZ LYS 25 6.650 8.029 -11.991 161 HZ3 LYS 25 2HZ LYS 25 7.139 6.877 -10.854 162 H GLY 26 H GLY 26 5.587 11.328 -4.304 163 HA2 GLY 26 1HA GLY 26 4.224 13.172 -4.186 164 HA3 GLY 26 2HA GLY 26 5.106 13.796 -5.572 165 H GLU 27 H GLU 27 3.393 10.760 -5.704 166 HA GLU 27 HA GLU 27 1.407 12.029 -7.475 167 HB2 GLU 27 1HB GLU 27 2.879 9.433 -7.665 168 HB3 GLU 27 2HB GLU 27 1.270 9.554 -8.363 169 HG2 GLU 27 1HG GLU 27 3.263 11.650 -9.039 170 HG3 GLU 27 2HG GLU 27 3.430 10.056 -9.775 171 HA PRO 28 HA PRO 28 -1.486 10.689 -4.368 172 HB2 PRO 28 1HB PRO 28 -3.710 11.547 -5.667 173 HB3 PRO 28 2HB PRO 28 -2.619 12.639 -4.807 174 HG2 PRO 28 1HG PRO 28 -2.779 12.042 -7.736 175 HG3 PRO 28 2HG PRO 28 -2.572 13.604 -6.923 176 HD2 PRO 28 1HD PRO 28 -0.503 12.251 -8.028 177 HD3 PRO 28 2HD PRO 28 -0.315 13.273 -6.588 178 H TRP 29 H TRP 29 -2.740 8.906 -4.070 179 HA TRP 29 HA TRP 29 -3.840 6.956 -4.493 180 HB2 TRP 29 1HB TRP 29 -3.966 7.688 -7.412 181 HB3 TRP 29 2HB TRP 29 -5.079 6.686 -6.484 182 HD1 TRP 29 HD TRP 29 -5.390 9.689 -8.167 183 HE1 TRP 29 1HE TRP 29 -6.890 11.417 -6.989 184 HE3 TRP 29 3HE TRP 29 -5.385 7.692 -3.461 185 HZ2 TRP 29 2HZ TRP 29 -7.932 11.874 -4.406 186 HZ3 TRP 29 3HZ TRP 29 -6.658 8.836 -1.694 187 HH2 TRP 29 HH TRP 29 -7.905 10.884 -2.158 188 H THR 30 H THR 30 -0.924 7.299 -4.752 189 HA THR 30 HA THR 30 -0.171 5.357 -6.785 190 HB THR 30 HB THR 30 1.517 6.902 -4.809 191 HG1 THR 30 1HG THR 30 0.584 8.139 -6.530 192 HG21 THR 30 3HG2 THR 30 3.343 5.764 -5.457 193 HG22 THR 30 1HG2 THR 30 2.824 5.707 -7.142 194 HG23 THR 30 2HG2 THR 30 2.204 4.527 -5.986 195 H PHE 31 H PHE 31 -0.809 3.350 -6.167 196 HA PHE 31 HA PHE 31 -0.282 2.437 -3.450 197 HB2 PHE 31 1HB PHE 31 -1.684 0.598 -3.919 198 HB3 PHE 31 2HB PHE 31 -2.443 1.959 -4.738 199 HD1 PHE 31 1HD PHE 31 -2.379 2.140 -7.170 200 HD2 PHE 31 2HD PHE 31 -0.728 -1.222 -5.148 201 HE1 PHE 31 1HE PHE 31 -2.342 0.888 -9.288 202 HE2 PHE 31 2HE PHE 31 -0.688 -2.478 -7.262 203 HZ PHE 31 HZ PHE 31 -1.494 -1.424 -9.337 204 H LEU 32 H LEU 32 0.725 0.287 -3.136 205 HA LEU 32 HA LEU 32 2.428 -0.779 -5.172 206 HB2 LEU 32 1HB LEU 32 4.505 -0.096 -4.477 207 HB3 LEU 32 2HB LEU 32 3.550 1.363 -4.227 208 HG LEU 32 HG LEU 32 3.335 0.338 -1.782 209 HD11 LEU 32 1HD1 LEU 32 5.440 -1.214 -3.053 210 HD12 LEU 32 2HD1 LEU 32 4.589 -1.488 -1.534 211 HD13 LEU 32 3HD1 LEU 32 5.977 -0.401 -1.582 212 HD21 LEU 32 3HD2 LEU 32 4.818 1.963 -1.106 213 HD22 LEU 32 1HD2 LEU 32 4.416 2.517 -2.731 214 HD23 LEU 32 2HD2 LEU 32 5.930 1.659 -2.442 215 H VAL 33 H VAL 33 2.995 -2.846 -4.722 216 HA VAL 33 HA VAL 33 2.089 -3.925 -2.156 217 HB VAL 33 HB VAL 33 2.907 -5.468 -4.617 218 HG11 VAL 33 1HG1 VAL 33 1.020 -6.485 -2.558 219 HG12 VAL 33 2HG1 VAL 33 2.170 -7.360 -3.571 220 HG13 VAL 33 3HG1 VAL 33 2.739 -6.453 -2.170 221 HG21 VAL 33 3HG2 VAL 33 1.077 -4.283 -5.400 222 HG22 VAL 33 1HG2 VAL 33 0.332 -5.753 -4.771 223 HG23 VAL 33 2HG2 VAL 33 0.285 -4.264 -3.825 224 H ARG 34 H ARG 34 3.420 -4.903 -0.723 225 HA ARG 34 HA ARG 34 6.154 -5.555 -1.469 226 HB2 ARG 34 1HB ARG 34 7.089 -4.270 0.441 227 HB3 ARG 34 2HB ARG 34 6.395 -3.248 -0.810 228 HG2 ARG 34 1HG ARG 34 4.378 -2.964 0.536 229 HG3 ARG 34 2HG ARG 34 5.073 -3.991 1.791 230 HD2 ARG 34 1HD ARG 34 6.838 -2.411 2.184 231 HD3 ARG 34 2HD ARG 34 6.331 -1.435 0.807 232 HE ARG 34 HE ARG 34 4.659 -0.521 2.096 233 HH11 ARG 34 2HH1 ARG 34 6.062 -3.249 3.742 234 HH12 ARG 34 1HH1 ARG 34 5.259 -2.922 5.242 235 HH21 ARG 34 2HH2 ARG 34 3.596 -0.081 4.066 236 HH22 ARG 34 1HH2 ARG 34 3.857 -1.121 5.426 237 H GLU 35 H GLU 35 7.310 -6.670 0.330 238 HA GLU 35 HA GLU 35 5.426 -8.405 1.741 239 HB2 GLU 35 1HB GLU 35 8.335 -8.668 1.016 240 HB3 GLU 35 2HB GLU 35 7.578 -9.746 2.178 241 HG2 GLU 35 1HG GLU 35 6.450 -9.355 -0.569 242 HG3 GLU 35 2HG GLU 35 7.734 -10.518 -0.245 243 H SER 36 H SER 36 6.119 -9.167 3.944 244 HA SER 36 HA SER 36 7.047 -6.852 5.508 245 HB2 SER 36 1HB SER 36 4.749 -7.541 6.007 246 HB3 SER 36 2HB SER 36 5.301 -9.177 6.356 247 HG SER 36 HG SER 36 5.973 -6.810 7.770 248 H LEU 37 H LEU 37 9.080 -7.022 6.163 249 HA LEU 37 HA LEU 37 10.739 -9.185 6.056 250 HB2 LEU 37 1HB LEU 37 10.836 -7.067 8.197 251 HB3 LEU 37 2HB LEU 37 12.180 -8.059 7.633 252 HG LEU 37 HG LEU 37 10.736 -6.053 5.906 253 HD11 LEU 37 1HD1 LEU 37 12.578 -4.551 6.289 254 HD12 LEU 37 2HD1 LEU 37 13.360 -5.723 7.349 255 HD13 LEU 37 3HD1 LEU 37 11.840 -4.973 7.834 256 HD21 LEU 37 3HD2 LEU 37 12.331 -6.461 4.297 257 HD22 LEU 37 1HD2 LEU 37 12.111 -8.072 4.981 258 HD23 LEU 37 2HD2 LEU 37 13.498 -7.094 5.458 259 H SER 38 H SER 38 9.250 -8.045 9.094 260 HA SER 38 HA SER 38 9.937 -10.171 10.700 261 HB2 SER 38 1HB SER 38 7.307 -8.679 10.841 262 HB3 SER 38 2HB SER 38 8.123 -9.514 12.163 263 HG SER 38 HG SER 38 8.667 -7.404 12.387 264 H GLN 39 H GLN 39 6.947 -9.812 8.800 265 HA GLN 39 HA GLN 39 6.434 -12.681 9.180 266 HB2 GLN 39 1HB GLN 39 4.600 -10.430 8.346 267 HB3 GLN 39 2HB GLN 39 4.129 -12.124 8.363 268 HG2 GLN 39 1HG GLN 39 4.876 -12.052 10.840 269 HG3 GLN 39 2HG GLN 39 4.721 -10.306 10.655 270 HE21 GLN 39 1HE2 GLN 39 2.584 -9.734 9.429 271 HE22 GLN 39 2HE2 GLN 39 1.168 -10.482 10.077 272 HA PRO 40 HA PRO 40 7.990 -12.648 4.889 273 HB2 PRO 40 1HB PRO 40 8.826 -15.229 4.958 274 HB3 PRO 40 2HB PRO 40 9.795 -13.888 5.582 275 HG2 PRO 40 1HG PRO 40 8.061 -15.824 7.068 276 HG3 PRO 40 2HG PRO 40 9.676 -15.221 7.484 277 HD2 PRO 40 1HD PRO 40 7.420 -14.246 8.620 278 HD3 PRO 40 2HD PRO 40 8.855 -13.242 8.335 279 H GLY 41 H GLY 41 5.348 -13.902 6.393 280 HA2 GLY 41 1HA GLY 41 4.528 -15.463 4.024 281 HA3 GLY 41 2HA GLY 41 3.890 -15.709 5.643 282 H ASP 42 H ASP 42 3.682 -12.803 6.125 283 HA ASP 42 HA ASP 42 1.098 -12.439 4.849 284 HB2 ASP 42 1HB ASP 42 1.752 -11.987 7.354 285 HB3 ASP 42 2HB ASP 42 2.304 -10.438 6.722 286 H PHE 43 H PHE 43 0.562 -10.103 4.191 287 HA PHE 43 HA PHE 43 2.816 -8.926 2.711 288 HB2 PHE 43 1HB PHE 43 0.010 -9.332 1.654 289 HB3 PHE 43 2HB PHE 43 1.310 -8.498 0.810 290 HD1 PHE 43 1HD PHE 43 0.593 -11.785 2.417 291 HD2 PHE 43 2HD PHE 43 2.551 -9.679 -0.720 292 HE1 PHE 43 1HE PHE 43 1.319 -13.923 1.440 293 HE2 PHE 43 2HE PHE 43 3.279 -11.813 -1.703 294 HZ PHE 43 HZ PHE 43 2.663 -13.939 -0.624 295 H VAL 44 H VAL 44 2.054 -6.696 1.777 296 HA VAL 44 HA VAL 44 0.245 -5.287 3.569 297 HB VAL 44 HB VAL 44 3.191 -4.702 3.403 298 HG11 VAL 44 1HG1 VAL 44 2.349 -2.643 4.858 299 HG12 VAL 44 2HG1 VAL 44 2.517 -2.548 3.103 300 HG13 VAL 44 3HG1 VAL 44 0.932 -2.826 3.824 301 HG21 VAL 44 3HG2 VAL 44 2.892 -4.546 5.890 302 HG22 VAL 44 1HG2 VAL 44 1.241 -5.120 5.660 303 HG23 VAL 44 2HG2 VAL 44 2.602 -6.146 5.207 304 H LEU 45 H LEU 45 -0.618 -3.427 2.694 305 HA LEU 45 HA LEU 45 0.211 -2.799 -0.064 306 HB2 LEU 45 1HB LEU 45 -1.917 -3.866 -0.145 307 HB3 LEU 45 2HB LEU 45 -2.535 -2.863 1.165 308 HG LEU 45 HG LEU 45 -2.238 -0.892 -0.431 309 HD11 LEU 45 1HD1 LEU 45 -2.558 -1.812 -2.867 310 HD12 LEU 45 2HD1 LEU 45 -1.668 -3.196 -2.230 311 HD13 LEU 45 3HD1 LEU 45 -0.945 -1.588 -2.189 312 HD21 LEU 45 3HD2 LEU 45 -4.428 -1.558 0.080 313 HD22 LEU 45 1HD2 LEU 45 -4.267 -3.074 -0.809 314 HD23 LEU 45 2HD2 LEU 45 -4.362 -1.545 -1.684 315 H SER 46 H SER 46 1.082 -0.852 -0.229 316 HA SER 46 HA SER 46 0.286 1.225 1.696 317 HB2 SER 46 1HB SER 46 2.791 1.097 0.000 318 HB3 SER 46 2HB SER 46 2.433 2.286 1.253 319 HG SER 46 HG SER 46 2.518 -0.486 1.796 320 H VAL 47 H VAL 47 -0.277 3.275 0.997 321 HA VAL 47 HA VAL 47 -0.373 3.813 -1.866 322 HB VAL 47 HB VAL 47 -2.846 3.848 -0.129 323 HG11 VAL 47 1HG1 VAL 47 -3.158 5.691 -1.487 324 HG12 VAL 47 2HG1 VAL 47 -2.264 4.981 -2.833 325 HG13 VAL 47 3HG1 VAL 47 -3.886 4.404 -2.447 326 HG21 VAL 47 3HG2 VAL 47 -3.661 2.255 -1.927 327 HG22 VAL 47 1HG2 VAL 47 -1.977 2.124 -2.435 328 HG23 VAL 47 2HG2 VAL 47 -2.449 1.622 -0.812 329 H LEU 48 H LEU 48 -0.309 5.968 -2.375 330 HA LEU 48 HA LEU 48 0.161 7.784 -0.126 331 HB2 LEU 48 1HB LEU 48 1.824 7.463 -2.026 332 HB3 LEU 48 2HB LEU 48 0.678 8.348 -3.032 333 HG LEU 48 HG LEU 48 0.898 10.277 -1.465 334 HD11 LEU 48 1HD1 LEU 48 1.635 9.069 0.510 335 HD12 LEU 48 2HD1 LEU 48 2.810 10.307 0.064 336 HD13 LEU 48 3HD1 LEU 48 3.130 8.613 -0.308 337 HD21 LEU 48 3HD2 LEU 48 2.124 10.347 -3.505 338 HD22 LEU 48 1HD2 LEU 48 3.351 9.246 -2.877 339 HD23 LEU 48 2HD2 LEU 48 3.213 10.877 -2.221 340 H SER 49 H SER 49 -1.819 8.491 0.519 341 HA SER 49 HA SER 49 -3.992 9.081 -1.144 342 HB2 SER 49 1HB SER 49 -4.796 10.457 0.832 343 HB3 SER 49 2HB SER 49 -4.402 8.775 1.188 344 HG SER 49 HG SER 49 -2.177 10.038 1.551 345 H ASP 50 H ASP 50 -4.855 11.063 -1.861 346 HA ASP 50 HA ASP 50 -2.904 12.897 -2.847 347 HB2 ASP 50 1HB ASP 50 -4.590 13.762 -4.147 348 HB3 ASP 50 2HB ASP 50 -5.267 12.174 -3.800 349 H GLN 51 H GLN 51 -4.290 12.601 0.138 350 HA GLN 51 HA GLN 51 -4.608 15.419 0.711 351 HB2 GLN 51 1HB GLN 51 -4.792 12.937 2.414 352 HB3 GLN 51 2HB GLN 51 -4.955 14.558 3.075 353 HG2 GLN 51 1HG GLN 51 -6.959 14.945 1.975 354 HG3 GLN 51 2HG GLN 51 -6.671 13.666 0.798 355 HE21 GLN 51 1HE2 GLN 51 -8.320 12.316 1.072 356 HE22 GLN 51 2HE2 GLN 51 -8.779 11.589 2.570 357 HA PRO 52 HA PRO 52 -0.218 15.763 1.550 358 HB2 PRO 52 1HB PRO 52 -0.261 18.449 1.944 359 HB3 PRO 52 2HB PRO 52 -0.277 17.714 0.337 360 HG2 PRO 52 1HG PRO 52 -2.556 18.799 1.946 361 HG3 PRO 52 2HG PRO 52 -2.215 18.993 0.217 362 HD2 PRO 52 1HD PRO 52 -4.030 17.216 1.154 363 HD3 PRO 52 2HD PRO 52 -3.075 16.921 -0.313 364 H LYS 53 H LYS 53 1.003 15.973 3.397 365 HA LYS 53 HA LYS 53 -0.175 15.544 5.872 366 HB2 LYS 53 1HB LYS 53 2.552 16.405 4.993 367 HB3 LYS 53 2HB LYS 53 2.158 16.445 6.708 368 HG2 LYS 53 1HG LYS 53 1.390 14.005 6.350 369 HG3 LYS 53 2HG LYS 53 2.344 14.095 4.868 370 HD2 LYS 53 1HD LYS 53 3.817 13.229 6.478 371 HD3 LYS 53 2HD LYS 53 4.248 14.935 6.348 372 HE2 LYS 53 1HE LYS 53 2.253 14.056 8.391 373 HE3 LYS 53 2HE LYS 53 3.974 13.824 8.694 374 HZ1 LYS 53 3HZ LYS 53 3.783 15.895 9.524 375 HZ2 LYS 53 1HZ LYS 53 2.420 16.279 8.599 376 HZ3 LYS 53 2HZ LYS 53 3.961 16.357 7.907 377 H ALA 54 H ALA 54 1.377 18.553 4.741 378 HA ALA 54 HA ALA 54 -0.210 20.015 6.746 379 HB1 ALA 54 1HB ALA 54 2.540 20.361 5.706 380 HB2 ALA 54 2HB ALA 54 1.631 21.824 6.083 381 HB3 ALA 54 3HB ALA 54 1.900 20.609 7.331 382 H GLY 55 H GLY 55 1.004 20.188 3.408 383 HA2 GLY 55 1HA GLY 55 -1.384 21.085 2.290 384 HA3 GLY 55 2HA GLY 55 -0.444 22.513 2.695 385 HA PRO 56 HA PRO 56 0.837 21.489 -1.559 386 HB2 PRO 56 1HB PRO 56 1.395 24.061 -2.229 387 HB3 PRO 56 2HB PRO 56 -0.237 23.382 -2.294 388 HG2 PRO 56 1HG PRO 56 1.026 25.079 -0.176 389 HG3 PRO 56 2HG PRO 56 -0.603 25.183 -0.869 390 HD2 PRO 56 1HD PRO 56 -0.110 24.018 1.524 391 HD3 PRO 56 2HD PRO 56 -1.407 23.468 0.444 392 H GLY 57 H GLY 57 2.703 20.407 -0.674 393 HA2 GLY 57 1HA GLY 57 5.136 21.096 -1.443 394 HA3 GLY 57 2HA GLY 57 5.000 22.081 0.007 395 H SER 58 H SER 58 3.376 20.045 1.389 396 HA SER 58 HA SER 58 5.570 18.524 2.462 397 HB2 SER 58 1HB SER 58 4.196 18.076 4.259 398 HB3 SER 58 2HB SER 58 3.439 19.552 3.660 399 HG SER 58 HG SER 58 2.053 18.073 2.409 400 HA PRO 59 HA PRO 59 5.074 14.752 0.276 401 HB2 PRO 59 1HB PRO 59 5.695 12.935 2.196 402 HB3 PRO 59 2HB PRO 59 6.902 13.977 1.433 403 HG2 PRO 59 1HG PRO 59 5.527 14.289 4.074 404 HG3 PRO 59 2HG PRO 59 7.235 14.537 3.666 405 HD2 PRO 59 1HD PRO 59 5.484 16.588 3.918 406 HD3 PRO 59 2HD PRO 59 6.850 16.632 2.783 407 H LEU 60 H LEU 60 3.097 14.115 -0.334 408 HA LEU 60 HA LEU 60 0.755 14.024 0.965 409 HB2 LEU 60 1HB LEU 60 1.848 12.078 -1.045 410 HB3 LEU 60 2HB LEU 60 0.187 11.987 -0.462 411 HG LEU 60 HG LEU 60 1.375 14.375 -1.874 412 HD11 LEU 60 1HD1 LEU 60 -0.519 13.339 -3.534 413 HD12 LEU 60 2HD1 LEU 60 0.223 11.879 -2.879 414 HD13 LEU 60 3HD1 LEU 60 1.219 13.084 -3.696 415 HD21 LEU 60 3HD2 LEU 60 -0.458 14.964 -0.411 416 HD22 LEU 60 1HD2 LEU 60 -1.452 13.675 -1.090 417 HD23 LEU 60 2HD2 LEU 60 -0.986 15.050 -2.092 418 H ARG 61 H ARG 61 -0.462 12.546 2.182 419 HA ARG 61 HA ARG 61 1.011 11.120 4.149 420 HB2 ARG 61 1HB ARG 61 -1.388 12.243 4.205 421 HB3 ARG 61 2HB ARG 61 -1.904 10.625 3.747 422 HG2 ARG 61 1HG ARG 61 -2.039 10.457 6.012 423 HG3 ARG 61 2HG ARG 61 -0.371 9.929 5.772 424 HD2 ARG 61 1HD ARG 61 0.298 12.346 6.128 425 HD3 ARG 61 2HD ARG 61 -1.356 12.626 6.670 426 HE ARG 61 HE ARG 61 -0.773 11.707 8.667 427 HH11 ARG 61 2HH1 ARG 61 1.407 10.507 6.232 428 HH12 ARG 61 1HH1 ARG 61 2.380 9.618 7.356 429 HH21 ARG 61 2HH2 ARG 61 0.500 10.540 10.156 430 HH22 ARG 61 1HH2 ARG 61 1.863 9.637 9.588 431 H VAL 62 H VAL 62 1.123 8.902 4.544 432 HA VAL 62 HA VAL 62 0.533 7.204 2.208 433 HB VAL 62 HB VAL 62 2.690 6.765 4.275 434 HG11 VAL 62 1HG1 VAL 62 3.502 5.112 2.565 435 HG12 VAL 62 2HG1 VAL 62 1.997 4.676 3.375 436 HG13 VAL 62 3HG1 VAL 62 1.961 5.323 1.734 437 HG21 VAL 62 3HG2 VAL 62 2.679 8.619 2.202 438 HG22 VAL 62 1HG2 VAL 62 4.086 8.027 3.085 439 HG23 VAL 62 2HG2 VAL 62 3.604 7.253 1.576 440 H THR 63 H THR 63 -0.896 5.629 2.493 441 HA THR 63 HA THR 63 -1.740 4.972 5.222 442 HB THR 63 HB THR 63 -3.078 4.414 2.569 443 HG1 THR 63 1HG THR 63 -4.013 6.070 4.674 444 HG21 THR 63 3HG2 THR 63 -4.228 3.970 5.318 445 HG22 THR 63 1HG2 THR 63 -3.461 2.688 4.380 446 HG23 THR 63 2HG2 THR 63 -4.909 3.487 3.765 447 H HIS 64 H HIS 64 -0.945 3.202 6.128 448 HA HIS 64 HA HIS 64 -0.012 1.016 4.400 449 HB2 HIS 64 1HB HIS 64 0.648 1.417 7.318 450 HB3 HIS 64 2HB HIS 64 1.453 0.352 6.170 451 HD1 HIS 64 1HD HIS 64 2.894 1.578 4.282 452 HD2 HIS 64 2HD HIS 64 1.662 3.957 7.458 453 HE1 HIS 64 1HE HIS 64 4.335 3.637 4.178 454 HE2 HIS 64 2HE HIS 64 3.630 5.022 6.159 455 H ILE 65 H ILE 65 -1.384 -0.617 4.196 456 HA ILE 65 HA ILE 65 -3.054 -1.346 6.514 457 HB ILE 65 HB ILE 65 -3.724 -1.751 3.596 458 HG12 ILE 65 1HG1 ILE 65 -5.269 0.044 5.419 459 HG13 ILE 65 2HG1 ILE 65 -3.763 0.639 4.729 460 HG21 ILE 65 1HG2 ILE 65 -5.869 -2.514 4.356 461 HG22 ILE 65 2HG2 ILE 65 -4.617 -3.456 5.163 462 HG23 ILE 65 3HG2 ILE 65 -5.447 -2.166 6.033 463 HD11 ILE 65 3HD1 ILE 65 -6.274 0.707 3.568 464 HD12 ILE 65 1HD1 ILE 65 -4.732 1.033 2.778 465 HD13 ILE 65 2HD1 ILE 65 -5.428 -0.587 2.719 466 H LYS 66 H LYS 66 -2.900 -3.365 7.269 467 HA LYS 66 HA LYS 66 -0.892 -5.117 6.248 468 HB2 LYS 66 1HB LYS 66 -3.010 -5.597 8.355 469 HB3 LYS 66 2HB LYS 66 -1.630 -6.642 8.044 470 HG2 LYS 66 1HG LYS 66 -1.401 -3.763 8.886 471 HG3 LYS 66 2HG LYS 66 -1.361 -5.131 9.999 472 HD2 LYS 66 1HD LYS 66 0.513 -4.951 7.660 473 HD3 LYS 66 2HD LYS 66 0.878 -4.167 9.198 474 HE2 LYS 66 1HE LYS 66 0.137 -7.071 9.053 475 HE3 LYS 66 2HE LYS 66 1.795 -6.532 8.792 476 HZ1 LYS 66 3HZ LYS 66 1.760 -6.965 11.036 477 HZ2 LYS 66 1HZ LYS 66 0.174 -6.414 11.245 478 HZ3 LYS 66 2HZ LYS 66 1.431 -5.306 11.020 479 H VAL 67 H VAL 67 -1.089 -7.033 5.154 480 HA VAL 67 HA VAL 67 -3.762 -7.627 4.061 481 HB VAL 67 HB VAL 67 -1.062 -8.072 2.781 482 HG11 VAL 67 1HG1 VAL 67 -2.263 -9.840 1.943 483 HG12 VAL 67 2HG1 VAL 67 -3.806 -8.994 2.072 484 HG13 VAL 67 3HG1 VAL 67 -2.678 -8.581 0.780 485 HG21 VAL 67 3HG2 VAL 67 -2.687 -5.793 2.864 486 HG22 VAL 67 1HG2 VAL 67 -1.303 -6.087 1.811 487 HG23 VAL 67 2HG2 VAL 67 -2.930 -6.497 1.266 488 H MET 68 H MET 68 -4.475 -9.220 5.393 489 HA MET 68 HA MET 68 -2.806 -11.305 6.388 490 HB2 MET 68 1HB MET 68 -5.747 -10.749 6.405 491 HB3 MET 68 2HB MET 68 -5.171 -12.346 6.861 492 HG2 MET 68 1HG MET 68 -3.981 -11.510 8.703 493 HG3 MET 68 2HG MET 68 -4.112 -9.848 8.134 494 HE1 MET 68 3HE MET 68 -6.207 -8.485 8.061 495 HE2 MET 68 1HE MET 68 -7.327 -9.650 7.356 496 HE3 MET 68 2HE MET 68 -7.726 -8.854 8.878 497 H CYS 69 H CYS 69 -3.073 -13.595 5.935 498 HA CYS 69 HA CYS 69 -3.798 -14.087 3.122 499 HB2 CYS 69 1HB CYS 69 -1.377 -14.278 3.545 500 HB3 CYS 69 2HB CYS 69 -1.692 -15.489 4.781 501 HG CYS 69 HG CYS 69 -2.235 -17.525 3.183 502 H GLU 70 H GLU 70 -5.595 -15.237 2.942 503 HA GLU 70 HA GLU 70 -6.322 -17.098 5.091 504 HB2 GLU 70 1HB GLU 70 -7.862 -15.200 4.101 505 HB3 GLU 70 2HB GLU 70 -8.177 -16.399 2.854 506 HG2 GLU 70 1HG GLU 70 -9.805 -16.323 4.773 507 HG3 GLU 70 2HG GLU 70 -9.127 -17.903 4.385 508 H GLY 71 H GLY 71 -4.991 -18.834 4.502 509 HA2 GLY 71 1HA GLY 71 -4.370 -20.723 3.346 510 HA3 GLY 71 2HA GLY 71 -6.071 -20.808 2.915 511 H GLY 72 H GLY 72 -3.077 -19.116 1.977 512 HA2 GLY 72 1HA GLY 72 -2.149 -18.962 -0.152 513 HA3 GLY 72 2HA GLY 72 -3.549 -19.809 -0.794 514 H ARG 73 H ARG 73 -5.494 -18.012 0.374 515 HA ARG 73 HA ARG 73 -5.411 -15.971 -1.663 516 HB2 ARG 73 1HB ARG 73 -7.481 -16.237 0.511 517 HB3 ARG 73 2HB ARG 73 -7.660 -15.498 -1.074 518 HG2 ARG 73 1HG ARG 73 -7.219 -17.834 -2.013 519 HG3 ARG 73 2HG ARG 73 -7.516 -18.405 -0.370 520 HD2 ARG 73 1HD ARG 73 -9.565 -18.544 -1.610 521 HD3 ARG 73 2HD ARG 73 -9.711 -17.246 -0.424 522 HE ARG 73 HE ARG 73 -8.822 -16.125 -2.819 523 HH11 ARG 73 2HH1 ARG 73 -11.642 -17.724 -1.550 524 HH12 ARG 73 1HH1 ARG 73 -12.743 -16.909 -2.611 525 HH21 ARG 73 2HH2 ARG 73 -10.260 -15.045 -4.221 526 HH22 ARG 73 1HH2 ARG 73 -11.955 -15.386 -4.131 527 H TYR 74 H TYR 74 -6.440 -13.748 -0.755 528 HA TYR 74 HA TYR 74 -4.963 -12.913 1.631 529 HB2 TYR 74 1HB TYR 74 -4.815 -11.478 -1.028 530 HB3 TYR 74 2HB TYR 74 -4.107 -10.914 0.482 531 HD1 TYR 74 1HD TYR 74 -2.807 -13.214 1.603 532 HD2 TYR 74 2HD TYR 74 -3.116 -12.059 -2.480 533 HE1 TYR 74 1HE TYR 74 -0.742 -14.453 1.102 534 HE2 TYR 74 2HE TYR 74 -1.052 -13.296 -2.992 535 HH TYR 74 HH TYR 74 0.877 -14.175 -1.937 536 H THR 75 H THR 75 -5.837 -11.143 2.713 537 HA THR 75 HA THR 75 -8.169 -9.801 1.626 538 HB THR 75 HB THR 75 -8.984 -11.946 2.733 539 HG1 THR 75 1HG THR 75 -9.948 -9.536 3.904 540 HG21 THR 75 3HG2 THR 75 -8.512 -12.399 4.869 541 HG22 THR 75 1HG2 THR 75 -8.968 -10.775 5.383 542 HG23 THR 75 2HG2 THR 75 -7.333 -11.090 4.802 543 H VAL 76 H VAL 76 -8.961 -8.078 3.094 544 HA VAL 76 HA VAL 76 -6.843 -7.119 4.904 545 HB VAL 76 HB VAL 76 -7.516 -4.785 4.195 546 HG11 VAL 76 1HG1 VAL 76 -5.591 -6.430 3.256 547 HG12 VAL 76 2HG1 VAL 76 -6.433 -6.030 1.757 548 HG13 VAL 76 3HG1 VAL 76 -5.771 -4.745 2.768 549 HG21 VAL 76 3HG2 VAL 76 -8.913 -4.388 2.448 550 HG22 VAL 76 1HG2 VAL 76 -8.485 -5.886 1.622 551 HG23 VAL 76 2HG2 VAL 76 -9.607 -5.919 2.982 552 H GLY 77 H GLY 77 -8.021 -7.931 6.691 553 HA2 GLY 77 1HA GLY 77 -9.316 -7.420 8.552 554 HA3 GLY 77 2HA GLY 77 -10.022 -6.082 7.658 555 H GLY 78 H GLY 78 -11.628 -6.656 5.970 556 HA2 GLY 78 1HA GLY 78 -13.771 -8.047 6.962 557 HA3 GLY 78 2HA GLY 78 -13.505 -7.776 5.246 558 H LEU 79 H LEU 79 -14.821 -9.973 5.709 559 HA LEU 79 HA LEU 79 -13.060 -12.231 6.134 560 HB2 LEU 79 1HB LEU 79 -15.987 -11.964 5.512 561 HB3 LEU 79 2HB LEU 79 -15.174 -13.526 5.555 562 HG LEU 79 HG LEU 79 -15.221 -11.643 7.904 563 HD11 LEU 79 1HD1 LEU 79 -17.246 -13.602 6.953 564 HD12 LEU 79 2HD1 LEU 79 -17.463 -12.057 7.775 565 HD13 LEU 79 3HD1 LEU 79 -16.942 -13.473 8.686 566 HD21 LEU 79 3HD2 LEU 79 -13.469 -13.404 7.817 567 HD22 LEU 79 1HD2 LEU 79 -14.747 -14.616 7.745 568 HD23 LEU 79 2HD2 LEU 79 -14.590 -13.585 9.167 569 H GLU 80 H GLU 80 -14.126 -10.337 3.507 570 HA GLU 80 HA GLU 80 -14.318 -12.026 1.371 571 HB2 GLU 80 1HB GLU 80 -13.163 -9.281 1.666 572 HB3 GLU 80 2HB GLU 80 -13.032 -10.110 0.121 573 HG2 GLU 80 1HG GLU 80 -15.348 -10.165 -0.180 574 HG3 GLU 80 2HG GLU 80 -15.664 -9.805 1.517 575 H THR 81 H THR 81 -12.592 -12.229 -0.426 576 HA THR 81 HA THR 81 -9.875 -12.566 0.471 577 HB THR 81 HB THR 81 -9.723 -14.967 -0.014 578 HG1 THR 81 1HG THR 81 -12.552 -15.090 -0.011 579 HG21 THR 81 3HG2 THR 81 -10.666 -15.767 2.013 580 HG22 THR 81 1HG2 THR 81 -11.914 -14.523 2.007 581 HG23 THR 81 2HG2 THR 81 -10.233 -14.083 2.303 582 H PHE 82 H PHE 82 -8.411 -13.020 -1.244 583 HA PHE 82 HA PHE 82 -9.557 -12.920 -3.946 584 HB2 PHE 82 1HB PHE 82 -7.228 -11.228 -3.016 585 HB3 PHE 82 2HB PHE 82 -7.924 -11.248 -4.633 586 HD1 PHE 82 1HD PHE 82 -10.085 -10.217 -5.070 587 HD2 PHE 82 2HD PHE 82 -8.303 -10.072 -1.208 588 HE1 PHE 82 1HE PHE 82 -11.642 -8.426 -4.423 589 HE2 PHE 82 2HE PHE 82 -9.857 -8.281 -0.554 590 HZ PHE 82 HZ PHE 82 -11.530 -7.456 -2.163 591 H ASP 83 H ASP 83 -8.475 -14.072 -5.486 592 HA ASP 83 HA ASP 83 -7.008 -16.282 -4.846 593 HB2 ASP 83 1HB ASP 83 -7.980 -15.940 -7.061 594 HB3 ASP 83 2HB ASP 83 -6.817 -14.659 -7.393 595 H SER 84 H SER 84 -5.838 -13.018 -5.331 596 HA SER 84 HA SER 84 -3.450 -13.488 -3.898 597 HB2 SER 84 1HB SER 84 -3.320 -13.659 -6.876 598 HB3 SER 84 2HB SER 84 -1.998 -12.857 -6.028 599 HG SER 84 HG SER 84 -2.246 -14.952 -4.654 600 H LEU 85 H LEU 85 -1.820 -11.536 -4.528 601 HA LEU 85 HA LEU 85 -3.007 -9.208 -3.644 602 HB2 LEU 85 1HB LEU 85 -0.466 -9.851 -5.035 603 HB3 LEU 85 2HB LEU 85 -0.942 -8.157 -4.948 604 HG LEU 85 HG LEU 85 0.571 -8.629 -3.153 605 HD11 LEU 85 1HD1 LEU 85 -0.679 -7.831 -1.324 606 HD12 LEU 85 2HD1 LEU 85 -2.166 -8.572 -1.915 607 HD13 LEU 85 3HD1 LEU 85 -1.473 -7.189 -2.761 608 HD21 LEU 85 3HD2 LEU 85 0.585 -10.491 -1.891 609 HD22 LEU 85 1HD2 LEU 85 -0.376 -11.164 -3.209 610 HD23 LEU 85 2HD2 LEU 85 -1.173 -10.544 -1.763 611 H THR 86 H THR 86 -2.817 -10.487 -6.870 612 HA THR 86 HA THR 86 -3.380 -8.115 -8.299 613 HB THR 86 HB THR 86 -3.958 -10.989 -9.045 614 HG1 THR 86 1HG THR 86 -1.883 -9.411 -10.115 615 HG21 THR 86 3HG2 THR 86 -5.188 -9.008 -10.251 616 HG22 THR 86 1HG2 THR 86 -4.479 -10.322 -11.190 617 HG23 THR 86 2HG2 THR 86 -3.624 -8.788 -11.036 618 H ASP 87 H ASP 87 -5.542 -10.837 -7.481 619 HA ASP 87 HA ASP 87 -7.914 -9.626 -8.318 620 HB2 ASP 87 1HB ASP 87 -7.225 -11.881 -6.500 621 HB3 ASP 87 2HB ASP 87 -8.864 -11.243 -6.420 622 H LEU 88 H LEU 88 -6.174 -9.416 -5.276 623 HA LEU 88 HA LEU 88 -8.237 -8.112 -3.818 624 HB2 LEU 88 1HB LEU 88 -6.345 -9.309 -2.778 625 HB3 LEU 88 2HB LEU 88 -5.257 -8.053 -3.362 626 HG LEU 88 HG LEU 88 -7.534 -7.254 -1.617 627 HD11 LEU 88 1HD1 LEU 88 -5.071 -7.959 -0.190 628 HD12 LEU 88 2HD1 LEU 88 -6.003 -9.333 -0.785 629 HD13 LEU 88 3HD1 LEU 88 -6.759 -8.152 0.285 630 HD21 LEU 88 3HD2 LEU 88 -5.696 -5.789 -2.789 631 HD22 LEU 88 1HD2 LEU 88 -4.722 -6.293 -1.409 632 HD23 LEU 88 2HD2 LEU 88 -6.234 -5.423 -1.149 633 H VAL 89 H VAL 89 -5.173 -6.831 -5.131 634 HA VAL 89 HA VAL 89 -5.736 -4.133 -4.695 635 HB VAL 89 HB VAL 89 -4.030 -5.329 -6.883 636 HG11 VAL 89 1HG1 VAL 89 -3.240 -3.266 -7.380 637 HG12 VAL 89 2HG1 VAL 89 -4.830 -2.772 -6.794 638 HG13 VAL 89 3HG1 VAL 89 -3.427 -2.677 -5.729 639 HG21 VAL 89 3HG2 VAL 89 -2.386 -5.662 -5.390 640 HG22 VAL 89 1HG2 VAL 89 -2.746 -4.172 -4.517 641 HG23 VAL 89 2HG2 VAL 89 -3.685 -5.631 -4.197 642 H GLU 90 H GLU 90 -5.889 -5.857 -7.820 643 HA GLU 90 HA GLU 90 -6.998 -3.943 -9.393 644 HB2 GLU 90 1HB GLU 90 -7.534 -6.908 -9.330 645 HB3 GLU 90 2HB GLU 90 -8.204 -5.861 -10.575 646 HG2 GLU 90 1HG GLU 90 -5.717 -5.124 -10.878 647 HG3 GLU 90 2HG GLU 90 -5.378 -6.664 -10.091 648 H HIS 91 H HIS 91 -8.882 -6.277 -7.465 649 HA HIS 91 HA HIS 91 -11.400 -5.176 -8.022 650 HB2 HIS 91 1HB HIS 91 -11.285 -7.382 -7.108 651 HB3 HIS 91 2HB HIS 91 -10.406 -6.817 -5.691 652 HD1 HIS 91 1HD HIS 91 -13.813 -7.266 -7.043 653 HD2 HIS 91 2HD HIS 91 -12.013 -5.429 -3.780 654 HE1 HIS 91 1HE HIS 91 -15.682 -6.775 -5.433 655 HE2 HIS 91 2HE HIS 91 -14.580 -5.587 -3.504 656 H PHE 92 H PHE 92 -8.888 -4.148 -5.905 657 HA PHE 92 HA PHE 92 -10.668 -2.401 -4.390 658 HB2 PHE 92 1HB PHE 92 -7.882 -3.377 -4.071 659 HB3 PHE 92 2HB PHE 92 -8.234 -1.772 -3.440 660 HD1 PHE 92 2HD PHE 92 -10.760 -1.852 -2.244 661 HD2 PHE 92 1HD PHE 92 -7.864 -4.967 -2.431 662 HE1 PHE 92 2HE PHE 92 -11.718 -2.861 -0.214 663 HE2 PHE 92 1HE PHE 92 -8.819 -5.982 -0.403 664 HZ PHE 92 HZ PHE 92 -10.747 -4.927 0.710 665 H LYS 93 H LYS 93 -8.718 -2.325 -7.161 666 HA LYS 93 HA LYS 93 -7.948 0.428 -7.060 667 HB2 LYS 93 1HB LYS 93 -8.078 -1.536 -9.354 668 HB3 LYS 93 2HB LYS 93 -7.409 0.085 -9.481 669 HG2 LYS 93 1HG LYS 93 -5.957 -0.762 -7.431 670 HG3 LYS 93 2HG LYS 93 -6.306 -2.328 -8.166 671 HD2 LYS 93 1HD LYS 93 -5.376 -0.106 -9.919 672 HD3 LYS 93 2HD LYS 93 -4.197 -0.915 -8.883 673 HE2 LYS 93 1HE LYS 93 -4.719 -3.047 -9.865 674 HE3 LYS 93 2HE LYS 93 -6.042 -2.341 -10.792 675 HZ1 LYS 93 3HZ LYS 93 -3.674 -0.930 -11.344 676 HZ2 LYS 93 1HZ LYS 93 -4.628 -1.844 -12.400 677 HZ3 LYS 93 2HZ LYS 93 -3.374 -2.582 -11.541 678 H LYS 94 H LYS 94 -10.842 -1.204 -7.781 679 HA LYS 94 HA LYS 94 -11.894 1.107 -9.264 680 HB2 LYS 94 1HB LYS 94 -13.801 -0.444 -9.814 681 HB3 LYS 94 2HB LYS 94 -12.244 -0.911 -10.485 682 HG2 LYS 94 1HG LYS 94 -11.973 -2.496 -8.585 683 HG3 LYS 94 2HG LYS 94 -13.620 -2.101 -8.088 684 HD2 LYS 94 1HD LYS 94 -14.224 -2.727 -10.541 685 HD3 LYS 94 2HD LYS 94 -12.672 -3.566 -10.519 686 HE2 LYS 94 1HE LYS 94 -13.535 -4.621 -8.326 687 HE3 LYS 94 2HE LYS 94 -15.122 -4.079 -8.869 688 HZ1 LYS 94 3HZ LYS 94 -14.880 -6.271 -9.639 689 HZ2 LYS 94 1HZ LYS 94 -13.305 -6.005 -10.196 690 HZ3 LYS 94 2HZ LYS 94 -14.616 -5.299 -10.999 691 H THR 95 H THR 95 -12.434 -0.954 -6.461 692 HA THR 95 HA THR 95 -14.745 0.609 -5.635 693 HB THR 95 HB THR 95 -14.935 -0.961 -3.776 694 HG1 THR 95 1HG THR 95 -12.636 -2.270 -4.829 695 HG21 THR 95 3HG2 THR 95 -14.430 -2.976 -5.796 696 HG22 THR 95 1HG2 THR 95 -15.254 -1.571 -6.472 697 HG23 THR 95 2HG2 THR 95 -15.960 -2.435 -5.106 698 H GLY 96 H GLY 96 -11.466 -0.122 -4.472 699 HA2 GLY 96 1HA GLY 96 -10.050 1.427 -3.404 700 HA3 GLY 96 2HA GLY 96 -11.445 2.446 -3.080 701 H ILE 97 H ILE 97 -9.672 2.079 -1.084 702 HA ILE 97 HA ILE 97 -10.923 0.078 0.677 703 HB ILE 97 HB ILE 97 -8.192 1.355 0.846 704 HG12 ILE 97 1HG1 ILE 97 -8.677 -1.588 0.711 705 HG13 ILE 97 2HG1 ILE 97 -8.847 -0.648 -0.769 706 HG21 ILE 97 1HG2 ILE 97 -8.282 0.977 3.035 707 HG22 ILE 97 2HG2 ILE 97 -9.837 0.160 2.890 708 HG23 ILE 97 3HG2 ILE 97 -8.342 -0.747 2.667 709 HD11 ILE 97 3HD1 ILE 97 -6.436 -1.327 0.787 710 HD12 ILE 97 1HD1 ILE 97 -6.660 -1.159 -0.954 711 HD13 ILE 97 2HD1 ILE 97 -6.485 0.277 0.055 712 H GLU 98 H GLU 98 -11.872 0.693 2.544 713 HA GLU 98 HA GLU 98 -11.978 3.580 3.085 714 HB2 GLU 98 1HB GLU 98 -14.158 2.717 2.659 715 HB3 GLU 98 2HB GLU 98 -13.892 1.338 3.716 716 HG2 GLU 98 1HG GLU 98 -14.093 2.628 5.650 717 HG3 GLU 98 2HG GLU 98 -13.863 4.140 4.772 718 H GLU 99 H GLU 99 -10.627 4.201 4.633 719 HA GLU 99 HA GLU 99 -9.547 2.435 6.581 720 HB2 GLU 99 1HB GLU 99 -9.479 5.437 6.297 721 HB3 GLU 99 2HB GLU 99 -8.655 4.582 7.593 722 HG2 GLU 99 1HG GLU 99 -7.314 3.375 5.965 723 HG3 GLU 99 2HG GLU 99 -8.159 4.189 4.650 724 H ALA 100 H ALA 100 -10.085 2.094 8.677 725 HA ALA 100 HA ALA 100 -12.561 2.106 9.657 726 HB1 ALA 100 1HB ALA 100 -10.388 2.978 11.521 727 HB2 ALA 100 2HB ALA 100 -11.708 1.842 11.798 728 HB3 ALA 100 3HB ALA 100 -10.347 1.380 10.777 729 H SER 101 H SER 101 -10.340 4.827 10.307 730 HA SER 101 HA SER 101 -12.052 6.516 11.613 731 HB2 SER 101 1HB SER 101 -9.526 6.779 10.864 732 HB3 SER 101 2HB SER 101 -10.245 7.710 9.550 733 HG SER 101 HG SER 101 -9.829 9.115 11.219 734 H GLY 102 H GLY 102 -11.700 6.109 8.109 735 HA2 GLY 102 1HA GLY 102 -14.154 6.308 7.180 736 HA3 GLY 102 2HA GLY 102 -13.903 7.981 7.654 737 H ALA 103 H ALA 103 -11.107 8.052 6.941 738 HA ALA 103 HA ALA 103 -11.110 9.114 4.461 739 HB1 ALA 103 1HB ALA 103 -9.014 7.729 6.041 740 HB2 ALA 103 2HB ALA 103 -8.665 8.088 4.349 741 HB3 ALA 103 3HB ALA 103 -9.083 9.392 5.460 742 H PHE 104 H PHE 104 -10.556 8.406 2.345 743 HA PHE 104 HA PHE 104 -11.025 5.537 1.865 744 HB2 PHE 104 1HB PHE 104 -12.322 7.924 0.660 745 HB3 PHE 104 2HB PHE 104 -11.955 6.584 -0.423 746 HD1 PHE 104 2HD PHE 104 -13.048 4.430 -0.151 747 HD2 PHE 104 1HD PHE 104 -13.994 7.725 2.372 748 HE1 PHE 104 2HE PHE 104 -15.087 3.271 0.593 749 HE2 PHE 104 1HE PHE 104 -16.034 6.571 3.121 750 HZ PHE 104 HZ PHE 104 -16.583 4.342 2.230 751 H VAL 105 H VAL 105 -9.359 4.584 0.919 752 HA VAL 105 HA VAL 105 -7.313 6.198 -0.380 753 HB VAL 105 HB VAL 105 -7.368 3.252 0.288 754 HG11 VAL 105 1HG1 VAL 105 -5.497 2.956 -0.883 755 HG12 VAL 105 2HG1 VAL 105 -5.814 4.526 -1.625 756 HG13 VAL 105 3HG1 VAL 105 -4.764 4.413 -0.212 757 HG21 VAL 105 3HG2 VAL 105 -7.250 4.531 2.292 758 HG22 VAL 105 1HG2 VAL 105 -5.621 3.948 1.952 759 HG23 VAL 105 2HG2 VAL 105 -6.049 5.622 1.600 760 H TYR 106 H TYR 106 -6.849 6.177 -2.514 761 HA TYR 106 HA TYR 106 -8.489 4.431 -4.232 762 HB2 TYR 106 1HB TYR 106 -7.535 7.242 -4.827 763 HB3 TYR 106 2HB TYR 106 -8.474 6.224 -5.914 764 HD1 TYR 106 1HD TYR 106 -10.386 5.072 -3.879 765 HD2 TYR 106 2HD TYR 106 -9.023 9.049 -4.534 766 HE1 TYR 106 1HE TYR 106 -12.467 5.941 -2.898 767 HE2 TYR 106 2HE TYR 106 -11.099 9.928 -3.554 768 HH TYR 106 HH TYR 106 -13.635 8.820 -3.316 769 H LEU 107 H LEU 107 -7.462 3.227 -5.716 770 HA LEU 107 HA LEU 107 -4.559 3.619 -6.004 771 HB2 LEU 107 1HB LEU 107 -6.013 1.066 -6.606 772 HB3 LEU 107 2HB LEU 107 -4.296 1.307 -6.293 773 HG LEU 107 HG LEU 107 -5.215 2.043 -3.914 774 HD11 LEU 107 1HD1 LEU 107 -7.135 -0.147 -4.293 775 HD12 LEU 107 2HD1 LEU 107 -7.580 1.383 -5.049 776 HD13 LEU 107 3HD1 LEU 107 -7.254 1.318 -3.317 777 HD21 LEU 107 3HD2 LEU 107 -4.114 -0.322 -5.063 778 HD22 LEU 107 1HD2 LEU 107 -5.275 -0.780 -3.817 779 HD23 LEU 107 2HD2 LEU 107 -3.938 0.299 -3.420 780 H ARG 108 H ARG 108 -4.644 5.044 -7.744 781 HA ARG 108 HA ARG 108 -6.081 4.295 -10.147 782 HB2 ARG 108 1HB ARG 108 -4.263 6.637 -9.556 783 HB3 ARG 108 2HB ARG 108 -5.156 6.414 -11.055 784 HG2 ARG 108 1HG ARG 108 -7.215 6.271 -9.439 785 HG3 ARG 108 2HG ARG 108 -6.143 7.150 -8.349 786 HD2 ARG 108 1HD ARG 108 -7.274 8.844 -9.470 787 HD3 ARG 108 2HD ARG 108 -5.750 8.721 -10.348 788 HE ARG 108 HE ARG 108 -6.956 8.178 -12.198 789 HH11 ARG 108 2HH1 ARG 108 -8.844 7.371 -9.386 790 HH12 ARG 108 1HH1 ARG 108 -10.230 6.873 -10.299 791 HH21 ARG 108 2HH2 ARG 108 -8.775 7.524 -13.411 792 HH22 ARG 108 1HH2 ARG 108 -10.189 6.960 -12.588 793 H GLN 109 H GLN 109 -2.694 4.795 -9.185 794 HA GLN 109 HA GLN 109 -1.885 2.865 -11.223 795 HB2 GLN 109 1HB GLN 109 -0.152 4.276 -12.111 796 HB3 GLN 109 2HB GLN 109 -1.680 5.141 -12.219 797 HG2 GLN 109 1HG GLN 109 0.141 5.556 -9.886 798 HG3 GLN 109 2HG GLN 109 0.423 6.390 -11.413 799 HE21 GLN 109 1HE2 GLN 109 -0.022 7.896 -9.252 800 HE22 GLN 109 2HE2 GLN 109 -1.594 8.611 -9.306 801 HA PRO 110 HA PRO 110 0.671 1.400 -7.953 802 HB2 PRO 110 1HB PRO 110 2.439 -0.049 -9.418 803 HB3 PRO 110 2HB PRO 110 0.776 -0.573 -9.124 804 HG2 PRO 110 1HG PRO 110 1.943 0.768 -11.533 805 HG3 PRO 110 2HG PRO 110 0.802 -0.588 -11.449 806 HD2 PRO 110 1HD PRO 110 0.012 1.952 -11.960 807 HD3 PRO 110 2HD PRO 110 -1.006 0.793 -11.081 808 H TYR 111 H TYR 111 3.340 0.879 -8.014 809 HA TYR 111 HA TYR 111 4.611 3.434 -8.730 810 HB2 TYR 111 1HB TYR 111 4.140 3.500 -6.343 811 HB3 TYR 111 2HB TYR 111 4.919 1.938 -6.119 812 HD1 TYR 111 1HD TYR 111 5.667 5.364 -7.405 813 HD2 TYR 111 2HD TYR 111 7.130 1.886 -5.441 814 HE1 TYR 111 1HE TYR 111 7.813 6.499 -7.009 815 HE2 TYR 111 2HE TYR 111 9.280 3.011 -5.039 816 HH TYR 111 HH TYR 111 10.178 5.867 -6.589 817 H TYR 112 H TYR 112 6.381 3.180 -9.914 818 HA TYR 112 HA TYR 112 7.661 0.532 -9.965 819 HB2 TYR 112 1HB TYR 112 7.977 2.686 -12.051 820 HB3 TYR 112 2HB TYR 112 8.338 0.970 -12.197 821 HD1 TYR 112 1HD TYR 112 5.996 -0.399 -11.318 822 HD2 TYR 112 2HD TYR 112 6.264 3.251 -13.486 823 HE1 TYR 112 1HE TYR 112 3.755 -0.796 -12.249 824 HE2 TYR 112 2HE TYR 112 4.022 2.866 -14.423 825 HH TYR 112 HH TYR 112 2.329 1.428 -14.615 826 H SER 113 H SER 113 9.988 0.447 -10.197 827 HA SER 113 HA SER 113 11.294 2.657 -8.764 828 HB2 SER 113 1HB SER 113 13.063 0.947 -8.244 829 HB3 SER 113 2HB SER 113 11.478 0.577 -7.566 830 HG SER 113 HG SER 113 12.853 -1.056 -8.920 831 H GLY 114 H GLY 114 12.599 3.943 -9.878 832 HA2 GLY 114 1HA GLY 114 14.451 2.932 -11.818 833 HA3 GLY 114 2HA GLY 114 13.128 3.816 -12.565 834 HA PRO 115 HA PRO 115 15.417 7.517 -11.980 835 HB2 PRO 115 1HB PRO 115 13.386 9.320 -12.028 836 HB3 PRO 115 2HB PRO 115 13.962 8.483 -13.474 837 HG2 PRO 115 1HG PRO 115 11.588 7.879 -11.755 838 HG3 PRO 115 2HG PRO 115 11.717 7.880 -13.524 839 HD2 PRO 115 1HD PRO 115 11.793 5.604 -12.060 840 HD3 PRO 115 2HD PRO 115 12.690 5.792 -13.580 841 H SER 116 H SER 116 15.549 9.448 -10.561 842 HA SER 116 HA SER 116 14.318 8.987 -7.926 843 HB2 SER 116 1HB SER 116 16.734 8.267 -8.020 844 HB3 SER 116 2HB SER 116 17.156 9.949 -8.342 845 HG SER 116 HG SER 116 16.151 8.774 -6.005 846 H SER 117 H SER 117 14.511 10.969 -6.501 847 HA SER 117 HA SER 117 14.721 13.511 -7.851 848 HB2 SER 117 1HB SER 117 12.079 12.308 -7.142 849 HB3 SER 117 2HB SER 117 12.295 14.045 -6.925 850 HG SER 117 HG SER 117 13.235 13.736 -9.239 851 H GLY 118 H GLY 118 15.041 15.207 -6.448 852 HA2 GLY 118 1HA GLY 118 15.773 16.170 -4.491 853 HA3 GLY 118 2HA GLY 118 14.334 15.435 -3.801 854 H1 MET 1 H MET 1 5.685 5.571 26.659 855 HA MET 1 HA MET 1 3.859 5.255 24.367 856 HB2 MET 1 1HB MET 1 4.899 7.681 25.738 857 HB3 MET 1 2HB MET 1 4.719 7.755 23.991 858 HG2 MET 1 1HG MET 1 2.554 7.101 25.975 859 HG3 MET 1 2HG MET 1 2.753 8.621 25.107 860 HE1 MET 1 3HE MET 1 1.362 9.215 23.540 861 HE2 MET 1 1HE MET 1 0.490 8.258 22.342 862 HE3 MET 1 2HE MET 1 -0.030 8.247 24.027 863 H ASP 2 H ASP 2 5.122 3.881 23.162 864 HA ASP 2 HA ASP 2 7.577 5.064 22.077 865 HB2 ASP 2 1HB ASP 2 8.478 2.638 22.027 866 HB3 ASP 2 2HB ASP 2 8.535 3.523 23.548 867 H ASN 3 H ASN 3 7.309 5.296 19.966 868 HA ASN 3 HA ASN 3 5.531 3.442 18.544 869 HB2 ASN 3 1HB ASN 3 6.434 6.258 17.982 870 HB3 ASN 3 2HB ASN 3 5.730 5.257 16.715 871 HD21 ASN 3 1HD2 ASN 3 3.576 4.983 16.640 872 HD22 ASN 3 2HD2 ASN 3 2.464 5.671 17.768 873 H GLN 4 H GLN 4 6.471 1.858 17.453 874 HA GLN 4 HA GLN 4 9.154 2.321 16.327 875 HB2 GLN 4 1HB GLN 4 8.822 0.558 18.185 876 HB3 GLN 4 2HB GLN 4 8.034 -0.400 16.939 877 HG2 GLN 4 1HG GLN 4 10.368 -1.024 17.200 878 HG3 GLN 4 2HG GLN 4 10.056 -0.358 15.598 879 HE21 GLN 4 1HE2 GLN 4 10.821 1.724 15.101 880 HE22 GLN 4 2HE2 GLN 4 12.111 2.445 15.998 881 H GLY 5 H GLY 5 9.015 2.673 14.210 882 HA2 GLY 5 1HA GLY 5 8.744 1.849 12.005 883 HA3 GLY 5 2HA GLY 5 7.474 0.782 12.587 884 H VAL 6 H VAL 6 5.865 1.348 11.199 885 HA VAL 6 HA VAL 6 4.922 4.136 11.375 886 HB VAL 6 HB VAL 6 3.928 3.695 9.052 887 HG11 VAL 6 1HG1 VAL 6 6.870 4.059 9.553 888 HG12 VAL 6 2HG1 VAL 6 6.150 4.225 7.950 889 HG13 VAL 6 3HG1 VAL 6 5.647 5.296 9.259 890 HG21 VAL 6 3HG2 VAL 6 6.162 1.825 8.553 891 HG22 VAL 6 1HG2 VAL 6 4.761 1.172 9.403 892 HG23 VAL 6 2HG2 VAL 6 4.563 1.907 7.812 893 H ILE 7 H ILE 7 2.712 4.466 11.512 894 HA ILE 7 HA ILE 7 1.210 2.347 12.698 895 HB ILE 7 HB ILE 7 0.205 5.040 11.773 896 HG12 ILE 7 1HG1 ILE 7 2.179 5.026 13.406 897 HG13 ILE 7 2HG1 ILE 7 0.746 5.922 13.896 898 HG21 ILE 7 1HG2 ILE 7 -0.918 2.889 13.526 899 HG22 ILE 7 2HG2 ILE 7 -1.414 4.569 13.724 900 HG23 ILE 7 3HG2 ILE 7 -1.680 3.746 12.186 901 HD11 ILE 7 3HD1 ILE 7 0.626 3.183 14.790 902 HD12 ILE 7 1HD1 ILE 7 2.088 3.991 15.355 903 HD13 ILE 7 2HD1 ILE 7 0.504 4.681 15.713 904 H PTR 8 H PTR 8 -0.660 1.338 11.932 905 HA PTR 8 HA PTR 8 -0.970 1.410 9.003 906 HB2 PTR 8 2HB PTR 8 -1.143 -0.832 10.987 907 HB3 PTR 8 3HB PTR 8 -2.013 -0.941 9.460 908 HD1 PTR 8 1HD PTR 8 -0.940 -2.129 7.811 909 HD2 PTR 8 2HD PTR 8 1.411 0.068 10.595 910 HE1 PTR 8 1HE PTR 8 1.107 -2.918 6.697 911 HE2 PTR 8 2HE PTR 8 3.463 -0.713 9.489 912 H SER 9 H SER 9 -2.683 2.632 8.529 913 HA SER 9 HA SER 9 -4.868 3.107 10.239 914 HB2 SER 9 1HB SER 9 -4.478 3.511 7.274 915 HB3 SER 9 2HB SER 9 -5.969 3.966 8.096 916 HG SER 9 HG SER 9 -4.109 4.992 9.561 917 H ASP 10 H ASP 10 -6.130 1.494 10.926 918 HA ASP 10 HA ASP 10 -6.667 -0.889 9.562 919 HB2 ASP 10 1HB ASP 10 -7.799 0.505 11.927 920 HB3 ASP 10 2HB ASP 10 -8.797 -0.745 11.191 921 H LEU 11 H LEU 11 -9.217 -1.460 9.340 922 HA LEU 11 HA LEU 11 -10.260 0.492 7.396 923 HB2 LEU 11 1HB LEU 11 -10.413 -2.508 7.473 924 HB3 LEU 11 2HB LEU 11 -11.466 -1.535 6.448 925 HG LEU 11 HG LEU 11 -9.789 -1.011 4.985 926 HD11 LEU 11 1HD1 LEU 11 -7.800 -1.474 7.202 927 HD12 LEU 11 2HD1 LEU 11 -8.332 0.084 6.574 928 HD13 LEU 11 3HD1 LEU 11 -7.395 -1.003 5.551 929 HD21 LEU 11 3HD2 LEU 11 -8.821 -3.611 6.171 930 HD22 LEU 11 1HD2 LEU 11 -8.426 -2.995 4.566 931 HD23 LEU 11 2HD2 LEU 11 -10.090 -3.432 4.958 932 H ASN 12 H ASN 12 -12.716 0.163 7.053 933 HA ASN 12 HA ASN 12 -13.963 0.532 9.635 934 HB2 ASN 12 1HB ASN 12 -14.866 2.083 8.217 935 HB3 ASN 12 2HB ASN 12 -14.702 1.046 6.803 936 HD21 ASN 12 1HD2 ASN 12 -16.146 -0.961 6.920 937 HD22 ASN 12 2HD2 ASN 12 -17.779 -0.679 7.409 938 H LEU 13 H LEU 13 -14.034 -1.805 7.006 939 HA LEU 13 HA LEU 13 -16.191 -3.329 7.380 940 HB2 LEU 13 1HB LEU 13 -13.788 -4.991 7.463 941 HB3 LEU 13 2HB LEU 13 -15.092 -4.941 6.280 942 HG LEU 13 HG LEU 13 -12.736 -3.058 6.381 943 HD11 LEU 13 1HD1 LEU 13 -12.583 -4.363 4.018 944 HD12 LEU 13 2HD1 LEU 13 -13.208 -5.639 5.061 945 HD13 LEU 13 3HD1 LEU 13 -11.696 -4.828 5.471 946 HD21 LEU 13 3HD2 LEU 13 -15.253 -2.659 5.272 947 HD22 LEU 13 1HD2 LEU 13 -14.244 -3.163 3.917 948 HD23 LEU 13 2HD2 LEU 13 -13.776 -1.770 4.895 949 HA PRO 14 HA PRO 14 -14.363 -5.551 11.277 950 HB2 PRO 14 1HB PRO 14 -12.233 -4.364 12.472 951 HB3 PRO 14 2HB PRO 14 -12.067 -5.578 11.198 952 HG2 PRO 14 1HG PRO 14 -11.907 -2.595 11.004 953 HG3 PRO 14 2HG PRO 14 -10.877 -3.822 10.244 954 HD2 PRO 14 1HD PRO 14 -12.865 -2.559 8.909 955 HD3 PRO 14 2HD PRO 14 -12.397 -4.235 8.561 956 HA PRO 15 HA PRO 15 -16.499 -2.998 14.153 957 HB2 PRO 15 1HB PRO 15 -15.844 -4.187 16.503 958 HB3 PRO 15 2HB PRO 15 -16.955 -4.913 15.336 959 HG2 PRO 15 1HG PRO 15 -14.050 -5.479 15.791 960 HG3 PRO 15 2HG PRO 15 -15.382 -6.617 15.511 961 HD2 PRO 15 1HD PRO 15 -13.654 -5.886 13.559 962 HD3 PRO 15 2HD PRO 15 -15.352 -6.285 13.231 Start of MODEL 3 1 H1 GLY 1 H GLY 1 21.113 -6.155 -12.962 2 HA2 GLY 1 1HA GLY 1 20.026 -8.870 -13.374 3 HA3 GLY 1 2HA GLY 1 19.231 -7.717 -12.312 4 H SER 2 H SER 2 18.809 -9.112 -15.127 5 HA SER 2 HA SER 2 17.786 -6.681 -16.444 6 HB2 SER 2 1HB SER 2 18.099 -7.760 -18.580 7 HB3 SER 2 2HB SER 2 19.611 -7.881 -17.679 8 HG SER 2 HG SER 2 19.288 -9.900 -18.399 9 H SER 3 H SER 3 15.668 -6.526 -16.145 10 HA SER 3 HA SER 3 13.974 -8.808 -16.782 11 HB2 SER 3 1HB SER 3 14.025 -7.436 -14.099 12 HB3 SER 3 2HB SER 3 12.582 -8.266 -14.683 13 HG SER 3 HG SER 3 15.121 -9.511 -14.583 14 H GLY 4 H GLY 4 11.725 -8.212 -17.118 15 HA2 GLY 4 1HA GLY 4 11.539 -5.545 -18.275 16 HA3 GLY 4 2HA GLY 4 10.388 -6.857 -18.487 17 H SER 5 H SER 5 8.499 -5.967 -17.894 18 HA SER 5 HA SER 5 8.383 -4.506 -15.348 19 HB2 SER 5 1HB SER 5 6.377 -4.609 -17.615 20 HB3 SER 5 2HB SER 5 6.215 -3.643 -16.147 21 HG SER 5 HG SER 5 8.116 -2.528 -16.775 22 H SER 6 H SER 6 8.098 -5.972 -13.764 23 HA SER 6 HA SER 6 6.499 -8.321 -14.076 24 HB2 SER 6 1HB SER 6 8.012 -7.050 -11.835 25 HB3 SER 6 2HB SER 6 6.801 -8.272 -11.446 26 HG SER 6 HG SER 6 8.049 -9.769 -12.255 27 H GLY 7 H GLY 7 6.062 -5.196 -12.464 28 HA2 GLY 7 1HA GLY 7 3.509 -4.642 -12.875 29 HA3 GLY 7 2HA GLY 7 3.342 -5.931 -11.692 30 H TRP 8 H TRP 8 2.888 -5.117 -9.767 31 HA TRP 8 HA TRP 8 4.265 -2.647 -8.936 32 HB2 TRP 8 1HB TRP 8 2.172 -2.702 -7.255 33 HB3 TRP 8 2HB TRP 8 2.106 -1.925 -8.835 34 HD1 TRP 8 HD TRP 8 -0.048 -2.506 -10.064 35 HE1 TRP 8 1HE TRP 8 -1.605 -4.550 -10.218 36 HE3 TRP 8 3HE TRP 8 2.441 -5.661 -6.904 37 HZ2 TRP 8 2HZ TRP 8 -1.758 -7.155 -9.141 38 HZ3 TRP 8 3HZ TRP 8 1.522 -7.911 -6.519 39 HH2 TRP 8 HH TRP 8 -0.534 -8.640 -7.615 40 H TYR 9 H TYR 9 5.095 -5.497 -8.653 41 HA TYR 9 HA TYR 9 4.971 -5.860 -5.753 42 HB2 TYR 9 1HB TYR 9 4.594 -7.722 -7.555 43 HB3 TYR 9 2HB TYR 9 6.354 -7.761 -7.614 44 HD1 TYR 9 1HD TYR 9 3.555 -7.887 -5.142 45 HD2 TYR 9 2HD TYR 9 7.485 -9.162 -6.161 46 HE1 TYR 9 1HE TYR 9 3.583 -9.358 -3.171 47 HE2 TYR 9 2HE TYR 9 7.522 -10.638 -4.193 48 HH TYR 9 HH TYR 9 5.304 -11.796 -2.719 49 H HIS 10 H HIS 10 6.564 -5.173 -4.501 50 HA HIS 10 HA HIS 10 9.127 -4.457 -5.719 51 HB2 HIS 10 1HB HIS 10 7.805 -3.717 -3.115 52 HB3 HIS 10 2HB HIS 10 9.504 -3.378 -3.423 53 HD1 HIS 10 1HD HIS 10 10.038 -1.329 -4.771 54 HD2 HIS 10 2HD HIS 10 6.002 -2.310 -4.882 55 HE1 HIS 10 1HE HIS 10 8.908 0.603 -5.917 56 HE2 HIS 10 2HE HIS 10 6.456 0.026 -5.897 57 H GLY 11 H GLY 11 7.909 -6.143 -2.820 58 HA2 GLY 11 1HA GLY 11 8.701 -8.253 -2.089 59 HA3 GLY 11 2HA GLY 11 10.153 -8.014 -3.049 60 H HIS 12 H HIS 12 11.947 -7.322 -2.059 61 HA HIS 12 HA HIS 12 12.000 -7.113 0.775 62 HB2 HIS 12 1HB HIS 12 14.354 -6.842 0.563 63 HB3 HIS 12 2HB HIS 12 13.873 -7.956 -0.713 64 HD1 HIS 12 1HD HIS 12 16.210 -5.492 -0.348 65 HD2 HIS 12 2HD HIS 12 13.162 -5.999 -3.125 66 HE1 HIS 12 1HE HIS 12 16.888 -4.125 -2.347 67 HE2 HIS 12 2HE HIS 12 14.988 -4.380 -3.981 68 H MET 13 H MET 13 11.114 -5.418 1.775 69 HA MET 13 HA MET 13 12.241 -2.847 1.594 70 HB2 MET 13 1HB MET 13 10.953 -2.808 -0.530 71 HB3 MET 13 2HB MET 13 9.477 -3.071 0.389 72 HG2 MET 13 1HG MET 13 9.433 -0.947 1.200 73 HG3 MET 13 2HG MET 13 11.185 -0.772 1.148 74 HE1 MET 13 3HE MET 13 7.875 -0.213 -0.366 75 HE2 MET 13 1HE MET 13 8.138 0.316 -2.028 76 HE3 MET 13 2HE MET 13 8.219 -1.399 -1.626 77 H SER 14 H SER 14 11.883 -1.816 3.465 78 HA SER 14 HA SER 14 10.079 -3.031 5.377 79 HB2 SER 14 1HB SER 14 12.171 -0.869 5.552 80 HB3 SER 14 2HB SER 14 11.073 -1.200 6.892 81 HG SER 14 HG SER 14 12.117 -2.987 7.308 82 H GLY 15 H GLY 15 9.064 -1.195 6.930 83 HA2 GLY 15 1HA GLY 15 6.950 -0.062 5.396 84 HA3 GLY 15 2HA GLY 15 7.217 0.164 7.119 85 H GLY 16 H GLY 16 9.006 1.706 7.699 86 HA2 GLY 16 1HA GLY 16 8.535 4.248 6.938 87 HA3 GLY 16 2HA GLY 16 10.133 3.714 7.439 88 H GLN 17 H GLN 17 10.282 1.897 5.065 89 HA GLN 17 HA GLN 17 11.606 3.696 3.324 90 HB2 GLN 17 1HB GLN 17 11.858 1.082 3.724 91 HB3 GLN 17 2HB GLN 17 10.754 1.007 2.358 92 HG2 GLN 17 1HG GLN 17 12.289 2.192 0.964 93 HG3 GLN 17 2HG GLN 17 13.355 2.515 2.330 94 HE21 GLN 17 1HE2 GLN 17 14.575 1.443 0.300 95 HE22 GLN 17 2HE2 GLN 17 14.889 -0.241 0.525 96 H ALA 18 H ALA 18 8.831 1.578 2.584 97 HA ALA 18 HA ALA 18 8.039 2.503 0.191 98 HB1 ALA 18 1HB ALA 18 5.948 1.627 0.589 99 HB2 ALA 18 2HB ALA 18 6.907 0.817 1.828 100 HB3 ALA 18 3HB ALA 18 5.905 2.204 2.256 101 H GLU 19 H GLU 19 7.478 4.139 3.271 102 HA GLU 19 HA GLU 19 5.788 6.171 2.377 103 HB2 GLU 19 1HB GLU 19 7.627 5.811 4.680 104 HB3 GLU 19 2HB GLU 19 7.116 7.454 4.322 105 HG2 GLU 19 1HG GLU 19 4.733 6.450 4.297 106 HG3 GLU 19 2HG GLU 19 5.473 5.109 5.171 107 H THR 20 H THR 20 9.323 6.011 2.470 108 HA THR 20 HA THR 20 9.757 8.653 1.533 109 HB THR 20 HB THR 20 11.604 6.265 1.352 110 HG1 THR 20 1HG THR 20 11.187 6.639 3.496 111 HG21 THR 20 3HG2 THR 20 12.686 7.748 -0.000 112 HG22 THR 20 1HG2 THR 20 13.251 8.354 1.557 113 HG23 THR 20 2HG2 THR 20 11.910 9.151 0.733 114 H LEU 21 H LEU 21 9.678 5.497 -0.090 115 HA LEU 21 HA LEU 21 10.331 6.450 -2.663 116 HB2 LEU 21 1HB LEU 21 8.746 4.016 -1.858 117 HB3 LEU 21 2HB LEU 21 9.407 4.315 -3.464 118 HG LEU 21 HG LEU 21 11.672 4.461 -2.062 119 HD11 LEU 21 1HD1 LEU 21 9.766 3.430 -0.191 120 HD12 LEU 21 2HD1 LEU 21 11.477 3.788 0.040 121 HD13 LEU 21 3HD1 LEU 21 10.980 2.201 -0.547 122 HD21 LEU 21 3HD2 LEU 21 10.347 1.884 -2.901 123 HD22 LEU 21 1HD2 LEU 21 12.078 2.143 -2.680 124 HD23 LEU 21 2HD2 LEU 21 11.217 2.989 -3.966 125 H LEU 22 H LEU 22 7.265 6.050 -0.974 126 HA LEU 22 HA LEU 22 5.664 6.711 -3.260 127 HB2 LEU 22 1HB LEU 22 5.089 6.419 -0.327 128 HB3 LEU 22 2HB LEU 22 3.860 6.962 -1.467 129 HG LEU 22 HG LEU 22 5.303 4.326 -1.706 130 HD11 LEU 22 1HD1 LEU 22 3.407 5.070 0.235 131 HD12 LEU 22 2HD1 LEU 22 3.996 3.452 -0.145 132 HD13 LEU 22 3HD1 LEU 22 2.557 4.077 -0.949 133 HD21 LEU 22 3HD2 LEU 22 3.439 3.774 -3.194 134 HD22 LEU 22 1HD2 LEU 22 4.344 5.171 -3.778 135 HD23 LEU 22 2HD2 LEU 22 2.788 5.401 -2.981 136 H GLN 23 H GLN 23 6.325 8.404 -0.188 137 HA GLN 23 HA GLN 23 5.086 10.804 -0.791 138 HB2 GLN 23 1HB GLN 23 7.484 10.195 0.929 139 HB3 GLN 23 2HB GLN 23 6.787 11.806 0.822 140 HG2 GLN 23 1HG GLN 23 4.636 10.893 1.604 141 HG3 GLN 23 2HG GLN 23 5.402 9.316 1.788 142 HE21 GLN 23 1HE2 GLN 23 4.135 10.937 3.808 143 HE22 GLN 23 2HE2 GLN 23 5.336 11.269 5.004 144 H ALA 24 H ALA 24 8.414 9.792 -1.471 145 HA ALA 24 HA ALA 24 9.396 12.179 -2.502 146 HB1 ALA 24 1HB ALA 24 11.002 10.751 -3.757 147 HB2 ALA 24 2HB ALA 24 10.877 10.352 -2.044 148 HB3 ALA 24 3HB ALA 24 10.077 9.339 -3.246 149 H LYS 25 H LYS 25 7.521 9.634 -4.073 150 HA LYS 25 HA LYS 25 7.741 10.560 -6.715 151 HB2 LYS 25 1HB LYS 25 6.885 8.328 -6.108 152 HB3 LYS 25 2HB LYS 25 5.444 9.071 -5.427 153 HG2 LYS 25 1HG LYS 25 4.726 8.384 -7.507 154 HG3 LYS 25 2HG LYS 25 5.133 10.079 -7.786 155 HD2 LYS 25 1HD LYS 25 7.488 9.062 -8.390 156 HD3 LYS 25 2HD LYS 25 6.534 7.608 -8.690 157 HE2 LYS 25 1HE LYS 25 6.672 8.744 -10.758 158 HE3 LYS 25 2HE LYS 25 5.045 9.038 -10.146 159 HZ1 LYS 25 3HZ LYS 25 5.757 11.112 -10.857 160 HZ2 LYS 25 1HZ LYS 25 7.331 10.900 -10.274 161 HZ3 LYS 25 2HZ LYS 25 6.059 11.170 -9.193 162 H GLY 26 H GLY 26 5.435 11.337 -4.144 163 HA2 GLY 26 1HA GLY 26 4.074 13.174 -3.879 164 HA3 GLY 26 2HA GLY 26 4.917 13.917 -5.230 165 H GLU 27 H GLU 27 3.427 10.819 -5.660 166 HA GLU 27 HA GLU 27 1.377 12.098 -7.341 167 HB2 GLU 27 1HB GLU 27 2.938 9.569 -7.581 168 HB3 GLU 27 2HB GLU 27 1.303 9.592 -8.229 169 HG2 GLU 27 1HG GLU 27 3.235 11.750 -8.954 170 HG3 GLU 27 2HG GLU 27 3.302 10.184 -9.759 171 HA PRO 28 HA PRO 28 -1.538 10.659 -4.302 172 HB2 PRO 28 1HB PRO 28 -3.758 11.492 -5.624 173 HB3 PRO 28 2HB PRO 28 -2.700 12.594 -4.733 174 HG2 PRO 28 1HG PRO 28 -2.806 12.030 -7.672 175 HG3 PRO 28 2HG PRO 28 -2.641 13.585 -6.836 176 HD2 PRO 28 1HD PRO 28 -0.530 12.286 -7.927 177 HD3 PRO 28 2HD PRO 28 -0.384 13.292 -6.470 178 H TRP 29 H TRP 29 -2.785 8.861 -4.047 179 HA TRP 29 HA TRP 29 -3.794 6.871 -4.500 180 HB2 TRP 29 1HB TRP 29 -4.016 7.655 -7.397 181 HB3 TRP 29 2HB TRP 29 -5.096 6.639 -6.445 182 HD1 TRP 29 HD TRP 29 -5.438 9.676 -8.085 183 HE1 TRP 29 1HE TRP 29 -6.928 11.377 -6.855 184 HE3 TRP 29 3HE TRP 29 -5.372 7.586 -3.420 185 HZ2 TRP 29 2HZ TRP 29 -7.940 11.778 -4.251 186 HZ3 TRP 29 3HZ TRP 29 -6.627 8.691 -1.616 187 HH2 TRP 29 HH TRP 29 -7.882 10.744 -2.024 188 H THR 30 H THR 30 -0.962 7.110 -4.615 189 HA THR 30 HA THR 30 -0.189 5.297 -6.785 190 HB THR 30 HB THR 30 1.522 6.866 -4.848 191 HG1 THR 30 1HG THR 30 0.545 8.141 -6.478 192 HG21 THR 30 3HG2 THR 30 2.883 5.853 -7.180 193 HG22 THR 30 1HG2 THR 30 2.180 4.534 -6.246 194 HG23 THR 30 2HG2 THR 30 3.293 5.663 -5.475 195 H PHE 31 H PHE 31 -0.836 3.291 -6.116 196 HA PHE 31 HA PHE 31 -0.123 2.373 -3.444 197 HB2 PHE 31 1HB PHE 31 -1.592 0.578 -3.783 198 HB3 PHE 31 2HB PHE 31 -2.372 1.914 -4.625 199 HD1 PHE 31 1HD PHE 31 -2.416 1.992 -7.062 200 HD2 PHE 31 2HD PHE 31 -0.712 -1.303 -4.975 201 HE1 PHE 31 1HE PHE 31 -2.488 0.653 -9.125 202 HE2 PHE 31 2HE PHE 31 -0.780 -2.647 -7.034 203 HZ PHE 31 HZ PHE 31 -1.667 -1.670 -9.113 204 H LEU 32 H LEU 32 0.849 0.169 -3.239 205 HA LEU 32 HA LEU 32 2.394 -0.903 -5.378 206 HB2 LEU 32 1HB LEU 32 4.556 -0.285 -4.789 207 HB3 LEU 32 2HB LEU 32 3.635 1.212 -4.662 208 HG LEU 32 HG LEU 32 3.477 0.547 -2.132 209 HD11 LEU 32 1HD1 LEU 32 5.316 -1.414 -3.205 210 HD12 LEU 32 2HD1 LEU 32 4.549 -1.332 -1.619 211 HD13 LEU 32 3HD1 LEU 32 6.050 -0.454 -1.919 212 HD21 LEU 32 3HD2 LEU 32 5.014 2.163 -1.757 213 HD22 LEU 32 1HD2 LEU 32 4.872 2.378 -3.501 214 HD23 LEU 32 2HD2 LEU 32 6.207 1.436 -2.835 215 H VAL 33 H VAL 33 3.008 -2.964 -4.948 216 HA VAL 33 HA VAL 33 2.237 -4.039 -2.345 217 HB VAL 33 HB VAL 33 3.040 -5.498 -4.867 218 HG11 VAL 33 1HG1 VAL 33 3.447 -6.811 -2.853 219 HG12 VAL 33 2HG1 VAL 33 1.792 -6.517 -2.315 220 HG13 VAL 33 3HG1 VAL 33 2.092 -7.470 -3.769 221 HG21 VAL 33 3HG2 VAL 33 1.029 -4.657 -5.515 222 HG22 VAL 33 1HG2 VAL 33 0.446 -6.053 -4.608 223 HG23 VAL 33 2HG2 VAL 33 0.454 -4.456 -3.860 224 H ARG 34 H ARG 34 3.610 -5.108 -0.974 225 HA ARG 34 HA ARG 34 6.337 -5.673 -1.699 226 HB2 ARG 34 1HB ARG 34 7.360 -4.220 -0.008 227 HB3 ARG 34 2HB ARG 34 6.510 -3.283 -1.229 228 HG2 ARG 34 1HG ARG 34 4.721 -2.811 0.246 229 HG3 ARG 34 2HG ARG 34 5.291 -3.997 1.423 230 HD2 ARG 34 1HD ARG 34 7.112 -1.773 0.650 231 HD3 ARG 34 2HD ARG 34 5.758 -1.414 1.720 232 HE ARG 34 HE ARG 34 8.153 -2.766 2.412 233 HH11 ARG 34 2HH1 ARG 34 4.730 -2.717 3.043 234 HH12 ARG 34 1HH1 ARG 34 4.882 -3.378 4.638 235 HH21 ARG 34 2HH2 ARG 34 8.367 -3.634 4.511 236 HH22 ARG 34 1HH2 ARG 34 6.952 -3.897 5.472 237 H GLU 35 H GLU 35 7.373 -7.038 -0.233 238 HA GLU 35 HA GLU 35 5.595 -8.510 1.490 239 HB2 GLU 35 1HB GLU 35 8.448 -8.835 0.623 240 HB3 GLU 35 2HB GLU 35 7.817 -9.786 1.960 241 HG2 GLU 35 1HG GLU 35 6.491 -9.711 -0.731 242 HG3 GLU 35 2HG GLU 35 7.769 -10.856 -0.329 243 H SER 36 H SER 36 6.103 -9.021 3.728 244 HA SER 36 HA SER 36 7.126 -6.661 5.127 245 HB2 SER 36 1HB SER 36 4.954 -7.202 5.888 246 HB3 SER 36 2HB SER 36 5.317 -8.926 5.953 247 HG SER 36 HG SER 36 6.475 -8.628 7.779 248 H LEU 37 H LEU 37 8.314 -7.068 7.192 249 HA LEU 37 HA LEU 37 10.244 -9.256 6.804 250 HB2 LEU 37 1HB LEU 37 10.603 -6.677 8.323 251 HB3 LEU 37 2HB LEU 37 11.837 -7.903 8.038 252 HG LEU 37 HG LEU 37 11.351 -7.366 5.517 253 HD11 LEU 37 1HD1 LEU 37 10.151 -5.558 5.031 254 HD12 LEU 37 2HD1 LEU 37 10.979 -4.588 6.247 255 HD13 LEU 37 3HD1 LEU 37 9.598 -5.585 6.706 256 HD21 LEU 37 3HD2 LEU 37 13.507 -6.954 6.110 257 HD22 LEU 37 1HD2 LEU 37 13.056 -5.995 7.520 258 HD23 LEU 37 2HD2 LEU 37 12.960 -5.289 5.906 259 H SER 38 H SER 38 8.517 -7.428 9.314 260 HA SER 38 HA SER 38 9.265 -9.128 11.451 261 HB2 SER 38 1HB SER 38 8.494 -6.860 11.878 262 HB3 SER 38 2HB SER 38 6.918 -7.234 11.180 263 HG SER 38 HG SER 38 8.050 -8.372 13.521 264 H GLN 39 H GLN 39 6.072 -8.760 9.898 265 HA GLN 39 HA GLN 39 5.034 -11.143 11.026 266 HB2 GLN 39 1HB GLN 39 4.097 -9.498 8.672 267 HB3 GLN 39 2HB GLN 39 3.184 -10.824 9.378 268 HG2 GLN 39 1HG GLN 39 3.302 -9.546 11.565 269 HG3 GLN 39 2HG GLN 39 3.875 -8.178 10.610 270 HE21 GLN 39 1HE2 GLN 39 2.417 -8.059 8.462 271 HE22 GLN 39 2HE2 GLN 39 0.728 -7.945 8.807 272 HA PRO 40 HA PRO 40 7.050 -13.996 8.269 273 HB2 PRO 40 1HB PRO 40 5.847 -16.227 9.242 274 HB3 PRO 40 2HB PRO 40 7.174 -15.409 10.077 275 HG2 PRO 40 1HG PRO 40 4.229 -15.237 10.580 276 HG3 PRO 40 2HG PRO 40 5.558 -15.366 11.747 277 HD2 PRO 40 1HD PRO 40 4.338 -13.014 11.181 278 HD3 PRO 40 2HD PRO 40 6.056 -13.119 11.618 279 H GLY 41 H GLY 41 6.378 -13.949 6.205 280 HA2 GLY 41 1HA GLY 41 5.123 -14.386 4.333 281 HA3 GLY 41 2HA GLY 41 4.269 -15.578 5.300 282 H ASP 42 H ASP 42 4.493 -12.020 5.348 283 HA ASP 42 HA ASP 42 1.569 -11.920 5.057 284 HB2 ASP 42 1HB ASP 42 3.264 -10.527 7.123 285 HB3 ASP 42 2HB ASP 42 1.669 -9.929 6.674 286 H PHE 43 H PHE 43 0.907 -10.567 3.520 287 HA PHE 43 HA PHE 43 2.876 -8.866 2.214 288 HB2 PHE 43 1HB PHE 43 0.021 -9.475 1.419 289 HB3 PHE 43 2HB PHE 43 1.218 -8.644 0.432 290 HD1 PHE 43 1HD PHE 43 0.428 -11.882 2.042 291 HD2 PHE 43 2HD PHE 43 2.709 -9.841 -0.916 292 HE1 PHE 43 1HE PHE 43 1.157 -14.043 1.119 293 HE2 PHE 43 2HE PHE 43 3.440 -12.000 -1.844 294 HZ PHE 43 HZ PHE 43 2.664 -14.104 -0.827 295 H VAL 44 H VAL 44 2.411 -6.651 1.670 296 HA VAL 44 HA VAL 44 0.432 -5.347 3.410 297 HB VAL 44 HB VAL 44 3.222 -4.274 2.993 298 HG11 VAL 44 1HG1 VAL 44 1.507 -3.411 5.238 299 HG12 VAL 44 2HG1 VAL 44 2.621 -2.480 4.236 300 HG13 VAL 44 3HG1 VAL 44 1.016 -2.887 3.628 301 HG21 VAL 44 3HG2 VAL 44 2.085 -6.007 5.149 302 HG22 VAL 44 1HG2 VAL 44 3.642 -6.118 4.327 303 HG23 VAL 44 2HG2 VAL 44 3.363 -4.850 5.521 304 H LEU 45 H LEU 45 -0.503 -3.487 2.597 305 HA LEU 45 HA LEU 45 0.185 -2.830 -0.194 306 HB2 LEU 45 1HB LEU 45 -1.935 -3.930 -0.155 307 HB3 LEU 45 2HB LEU 45 -2.498 -2.913 1.170 308 HG LEU 45 HG LEU 45 -2.336 -0.961 -0.435 309 HD11 LEU 45 1HD1 LEU 45 -1.532 -3.179 -2.195 310 HD12 LEU 45 2HD1 LEU 45 -1.148 -1.462 -2.280 311 HD13 LEU 45 3HD1 LEU 45 -2.703 -2.045 -2.871 312 HD21 LEU 45 3HD2 LEU 45 -4.356 -2.384 -1.790 313 HD22 LEU 45 1HD2 LEU 45 -4.532 -1.267 -0.438 314 HD23 LEU 45 2HD2 LEU 45 -4.322 -2.992 -0.135 315 H SER 46 H SER 46 1.245 -0.955 -0.171 316 HA SER 46 HA SER 46 0.386 1.147 1.689 317 HB2 SER 46 1HB SER 46 2.930 0.961 0.059 318 HB3 SER 46 2HB SER 46 2.559 2.187 1.271 319 HG SER 46 HG SER 46 2.963 -0.588 1.671 320 H VAL 47 H VAL 47 -0.460 3.026 0.994 321 HA VAL 47 HA VAL 47 -0.372 3.644 -1.874 322 HB VAL 47 HB VAL 47 -2.876 3.626 -0.184 323 HG11 VAL 47 1HG1 VAL 47 -2.255 4.864 -2.830 324 HG12 VAL 47 2HG1 VAL 47 -3.875 4.234 -2.517 325 HG13 VAL 47 3HG1 VAL 47 -3.204 5.500 -1.486 326 HG21 VAL 47 3HG2 VAL 47 -1.679 1.647 -1.805 327 HG22 VAL 47 1HG2 VAL 47 -3.260 1.609 -1.027 328 HG23 VAL 47 2HG2 VAL 47 -3.099 2.236 -2.667 329 H LEU 48 H LEU 48 -0.369 5.811 -2.383 330 HA LEU 48 HA LEU 48 0.081 7.619 -0.123 331 HB2 LEU 48 1HB LEU 48 1.745 7.337 -2.026 332 HB3 LEU 48 2HB LEU 48 0.583 8.206 -3.028 333 HG LEU 48 HG LEU 48 0.774 10.138 -1.474 334 HD11 LEU 48 1HD1 LEU 48 1.474 9.101 0.545 335 HD12 LEU 48 2HD1 LEU 48 2.792 10.146 0.016 336 HD13 LEU 48 3HD1 LEU 48 2.896 8.403 -0.230 337 HD21 LEU 48 3HD2 LEU 48 3.193 10.663 -2.149 338 HD22 LEU 48 1HD2 LEU 48 2.026 10.349 -3.432 339 HD23 LEU 48 2HD2 LEU 48 3.167 9.093 -2.952 340 H SER 49 H SER 49 -1.890 8.321 0.537 341 HA SER 49 HA SER 49 -4.090 8.870 -1.105 342 HB2 SER 49 1HB SER 49 -4.907 10.227 0.861 343 HB3 SER 49 2HB SER 49 -4.437 8.572 1.250 344 HG SER 49 HG SER 49 -2.261 9.856 1.588 345 H ASP 50 H ASP 50 -5.038 10.906 -1.685 346 HA ASP 50 HA ASP 50 -3.115 12.731 -2.775 347 HB2 ASP 50 1HB ASP 50 -4.945 12.482 -4.180 348 HB3 ASP 50 2HB ASP 50 -6.098 12.487 -2.847 349 H GLN 51 H GLN 51 -4.249 12.408 0.266 350 HA GLN 51 HA GLN 51 -4.591 15.240 0.842 351 HB2 GLN 51 1HB GLN 51 -4.829 12.740 2.504 352 HB3 GLN 51 2HB GLN 51 -4.870 14.343 3.226 353 HG2 GLN 51 1HG GLN 51 -6.819 14.915 1.898 354 HG3 GLN 51 2HG GLN 51 -6.766 13.335 1.117 355 HE21 GLN 51 1HE2 GLN 51 -8.087 11.880 1.917 356 HE22 GLN 51 2HE2 GLN 51 -8.707 11.838 3.528 357 HA PRO 52 HA PRO 52 -0.202 15.558 1.627 358 HB2 PRO 52 1HB PRO 52 -0.237 18.217 2.177 359 HB3 PRO 52 2HB PRO 52 -0.299 17.575 0.532 360 HG2 PRO 52 1HG PRO 52 -2.532 18.559 2.267 361 HG3 PRO 52 2HG PRO 52 -2.242 18.853 0.543 362 HD2 PRO 52 1HD PRO 52 -4.026 17.019 1.428 363 HD3 PRO 52 2HD PRO 52 -3.114 16.813 -0.081 364 H LYS 53 H LYS 53 1.101 15.782 3.444 365 HA LYS 53 HA LYS 53 0.002 15.158 5.927 366 HB2 LYS 53 1HB LYS 53 2.678 16.045 4.970 367 HB3 LYS 53 2HB LYS 53 2.365 16.127 6.699 368 HG2 LYS 53 1HG LYS 53 1.562 13.671 6.396 369 HG3 LYS 53 2HG LYS 53 2.517 13.743 4.914 370 HD2 LYS 53 1HD LYS 53 4.123 13.009 6.364 371 HD3 LYS 53 2HD LYS 53 4.329 14.752 6.559 372 HE2 LYS 53 1HE LYS 53 2.726 14.611 8.495 373 HE3 LYS 53 2HE LYS 53 2.831 12.857 8.359 374 HZ1 LYS 53 3HZ LYS 53 4.392 13.456 9.975 375 HZ2 LYS 53 1HZ LYS 53 4.975 14.765 9.075 376 HZ3 LYS 53 2HZ LYS 53 5.314 13.182 8.583 377 H ALA 54 H ALA 54 1.288 18.271 4.772 378 HA ALA 54 HA ALA 54 -0.220 19.586 6.938 379 HB1 ALA 54 1HB ALA 54 1.788 20.341 7.568 380 HB2 ALA 54 2HB ALA 54 2.536 19.918 6.028 381 HB3 ALA 54 3HB ALA 54 1.650 21.434 6.191 382 H GLY 55 H GLY 55 0.958 19.955 3.604 383 HA2 GLY 55 1HA GLY 55 -1.461 20.872 2.563 384 HA3 GLY 55 2HA GLY 55 -0.526 22.289 3.018 385 HA PRO 56 HA PRO 56 0.708 21.505 -1.292 386 HB2 PRO 56 1HB PRO 56 1.304 24.103 -1.809 387 HB3 PRO 56 2HB PRO 56 -0.340 23.459 -1.893 388 HG2 PRO 56 1HG PRO 56 0.981 24.999 0.308 389 HG3 PRO 56 2HG PRO 56 -0.654 25.175 -0.355 390 HD2 PRO 56 1HD PRO 56 -0.152 23.853 1.955 391 HD3 PRO 56 2HD PRO 56 -1.474 23.396 0.861 392 H GLY 57 H GLY 57 2.582 20.346 -0.666 393 HA2 GLY 57 1HA GLY 57 5.000 20.987 -1.371 394 HA3 GLY 57 2HA GLY 57 4.921 21.953 0.095 395 H SER 58 H SER 58 3.305 19.967 1.520 396 HA SER 58 HA SER 58 5.471 18.389 2.535 397 HB2 SER 58 1HB SER 58 3.767 17.505 4.111 398 HB3 SER 58 2HB SER 58 3.792 19.268 4.065 399 HG SER 58 HG SER 58 2.071 18.745 2.288 400 HA PRO 59 HA PRO 59 4.964 14.673 0.254 401 HB2 PRO 59 1HB PRO 59 5.640 12.820 2.119 402 HB3 PRO 59 2HB PRO 59 6.822 13.889 1.354 403 HG2 PRO 59 1HG PRO 59 5.502 14.131 4.031 404 HG3 PRO 59 2HG PRO 59 7.198 14.403 3.591 405 HD2 PRO 59 1HD PRO 59 5.436 16.432 3.925 406 HD3 PRO 59 2HD PRO 59 6.777 16.513 2.764 407 H LEU 60 H LEU 60 2.994 14.000 -0.332 408 HA LEU 60 HA LEU 60 0.665 13.880 0.967 409 HB2 LEU 60 1HB LEU 60 1.787 11.913 -1.004 410 HB3 LEU 60 2HB LEU 60 0.130 11.801 -0.415 411 HG LEU 60 HG LEU 60 1.313 14.106 -1.964 412 HD11 LEU 60 1HD1 LEU 60 -0.957 12.543 -3.005 413 HD12 LEU 60 2HD1 LEU 60 0.600 11.716 -2.976 414 HD13 LEU 60 3HD1 LEU 60 0.428 13.241 -3.846 415 HD21 LEU 60 3HD2 LEU 60 -1.037 14.899 -2.044 416 HD22 LEU 60 1HD2 LEU 60 -0.340 14.927 -0.423 417 HD23 LEU 60 2HD2 LEU 60 -1.462 13.644 -0.877 418 H ARG 61 H ARG 61 -0.563 12.315 2.125 419 HA ARG 61 HA ARG 61 0.954 10.967 4.141 420 HB2 ARG 61 1HB ARG 61 -1.443 12.094 4.214 421 HB3 ARG 61 2HB ARG 61 -1.966 10.470 3.787 422 HG2 ARG 61 1HG ARG 61 -2.071 10.339 6.057 423 HG3 ARG 61 2HG ARG 61 -0.411 9.799 5.800 424 HD2 ARG 61 1HD ARG 61 0.405 12.048 6.258 425 HD3 ARG 61 2HD ARG 61 -1.250 12.618 6.468 426 HE ARG 61 HE ARG 61 -1.255 11.723 8.577 427 HH11 ARG 61 2HH1 ARG 61 1.439 10.432 6.789 428 HH12 ARG 61 1HH1 ARG 61 2.145 9.651 8.165 429 HH21 ARG 61 2HH2 ARG 61 -0.335 10.699 10.396 430 HH22 ARG 61 1HH2 ARG 61 1.135 9.802 10.216 431 H VAL 62 H VAL 62 1.126 8.767 4.537 432 HA VAL 62 HA VAL 62 0.506 7.039 2.232 433 HB VAL 62 HB VAL 62 2.618 6.541 4.329 434 HG11 VAL 62 1HG1 VAL 62 3.469 5.039 2.427 435 HG12 VAL 62 2HG1 VAL 62 2.072 4.491 3.356 436 HG13 VAL 62 3HG1 VAL 62 1.846 5.205 1.758 437 HG21 VAL 62 3HG2 VAL 62 3.865 8.090 3.332 438 HG22 VAL 62 1HG2 VAL 62 3.846 7.091 1.880 439 HG23 VAL 62 2HG2 VAL 62 2.637 8.358 2.095 440 H THR 63 H THR 63 -0.669 5.224 2.520 441 HA THR 63 HA THR 63 -1.610 4.663 5.254 442 HB THR 63 HB THR 63 -2.994 4.039 2.638 443 HG1 THR 63 1HG THR 63 -3.670 5.961 4.632 444 HG21 THR 63 3HG2 THR 63 -4.146 3.880 5.415 445 HG22 THR 63 1HG2 THR 63 -3.406 2.494 4.616 446 HG23 THR 63 2HG2 THR 63 -4.829 3.262 3.912 447 H HIS 64 H HIS 64 -0.507 2.999 6.074 448 HA HIS 64 HA HIS 64 0.371 0.824 4.343 449 HB2 HIS 64 1HB HIS 64 0.861 1.162 7.305 450 HB3 HIS 64 2HB HIS 64 1.716 0.092 6.199 451 HD1 HIS 64 1HD HIS 64 3.053 1.473 4.211 452 HD2 HIS 64 2HD HIS 64 2.119 3.522 7.703 453 HE1 HIS 64 1HE HIS 64 4.578 3.473 4.246 454 HE2 HIS 64 2HE HIS 64 4.053 4.651 6.409 455 H ILE 65 H ILE 65 -0.832 -0.925 4.065 456 HA ILE 65 HA ILE 65 -2.726 -1.685 6.192 457 HB ILE 65 HB ILE 65 -3.013 -2.049 3.209 458 HG12 ILE 65 1HG1 ILE 65 -4.941 -0.598 4.988 459 HG13 ILE 65 2HG1 ILE 65 -3.483 0.220 4.437 460 HG21 ILE 65 1HG2 ILE 65 -4.780 -2.985 5.465 461 HG22 ILE 65 2HG2 ILE 65 -5.230 -3.005 3.760 462 HG23 ILE 65 3HG2 ILE 65 -3.885 -3.995 4.328 463 HD11 ILE 65 3HD1 ILE 65 -5.062 -1.137 2.357 464 HD12 ILE 65 1HD1 ILE 65 -5.810 0.268 3.115 465 HD13 ILE 65 2HD1 ILE 65 -4.238 0.421 2.329 466 H LYS 66 H LYS 66 -2.503 -3.648 7.051 467 HA LYS 66 HA LYS 66 -0.422 -5.396 6.046 468 HB2 LYS 66 1HB LYS 66 -2.233 -5.817 8.427 469 HB3 LYS 66 2HB LYS 66 -0.715 -6.639 8.091 470 HG2 LYS 66 1HG LYS 66 0.506 -4.567 8.404 471 HG3 LYS 66 2HG LYS 66 -1.007 -3.697 8.671 472 HD2 LYS 66 1HD LYS 66 -0.357 -6.064 10.370 473 HD3 LYS 66 2HD LYS 66 0.430 -4.519 10.701 474 HE2 LYS 66 1HE LYS 66 -1.651 -3.445 11.080 475 HE3 LYS 66 2HE LYS 66 -2.554 -4.815 10.436 476 HZ1 LYS 66 3HZ LYS 66 -2.766 -5.178 12.661 477 HZ2 LYS 66 1HZ LYS 66 -1.266 -4.500 13.049 478 HZ3 LYS 66 2HZ LYS 66 -1.344 -6.052 12.382 479 H VAL 67 H VAL 67 -1.002 -6.572 4.315 480 HA VAL 67 HA VAL 67 -3.663 -7.612 3.985 481 HB VAL 67 HB VAL 67 -1.159 -8.168 2.387 482 HG11 VAL 67 1HG1 VAL 67 -2.480 -9.216 0.775 483 HG12 VAL 67 2HG1 VAL 67 -3.110 -9.839 2.301 484 HG13 VAL 67 3HG1 VAL 67 -3.977 -8.565 1.443 485 HG21 VAL 67 3HG2 VAL 67 -1.425 -6.122 1.559 486 HG22 VAL 67 1HG2 VAL 67 -2.994 -6.623 0.927 487 HG23 VAL 67 2HG2 VAL 67 -2.882 -5.877 2.521 488 H MET 68 H MET 68 -4.366 -9.348 5.028 489 HA MET 68 HA MET 68 -2.499 -11.301 6.082 490 HB2 MET 68 1HB MET 68 -5.472 -10.906 6.353 491 HB3 MET 68 2HB MET 68 -4.665 -12.341 6.973 492 HG2 MET 68 1HG MET 68 -3.572 -11.185 8.624 493 HG3 MET 68 2HG MET 68 -3.640 -9.657 7.749 494 HE1 MET 68 3HE MET 68 -5.463 -7.874 8.066 495 HE2 MET 68 1HE MET 68 -6.370 -8.937 6.990 496 HE3 MET 68 2HE MET 68 -7.136 -8.288 8.440 497 H CYS 69 H CYS 69 -2.546 -13.525 5.609 498 HA CYS 69 HA CYS 69 -3.716 -14.158 2.983 499 HB2 CYS 69 1HB CYS 69 -1.268 -14.220 2.998 500 HB3 CYS 69 2HB CYS 69 -1.293 -15.356 4.342 501 HG CYS 69 HG CYS 69 -1.097 -16.076 1.250 502 H GLU 70 H GLU 70 -5.368 -15.518 3.000 503 HA GLU 70 HA GLU 70 -5.666 -17.343 5.289 504 HB2 GLU 70 1HB GLU 70 -7.449 -15.523 4.561 505 HB3 GLU 70 2HB GLU 70 -7.922 -16.774 3.420 506 HG2 GLU 70 1HG GLU 70 -9.225 -16.787 5.520 507 HG3 GLU 70 2HG GLU 70 -8.395 -18.306 5.188 508 H GLY 71 H GLY 71 -4.288 -18.943 4.385 509 HA2 GLY 71 1HA GLY 71 -3.894 -20.898 3.251 510 HA3 GLY 71 2HA GLY 71 -5.617 -20.930 2.903 511 H GLY 72 H GLY 72 -2.901 -18.833 1.909 512 HA2 GLY 72 1HA GLY 72 -1.988 -18.681 -0.255 513 HA3 GLY 72 2HA GLY 72 -3.332 -19.634 -0.866 514 H ARG 73 H ARG 73 -5.404 -18.055 0.344 515 HA ARG 73 HA ARG 73 -5.545 -15.971 -1.640 516 HB2 ARG 73 1HB ARG 73 -7.449 -16.937 0.488 517 HB3 ARG 73 2HB ARG 73 -7.802 -15.549 -0.533 518 HG2 ARG 73 1HG ARG 73 -8.106 -16.823 -2.405 519 HG3 ARG 73 2HG ARG 73 -7.031 -18.104 -1.840 520 HD2 ARG 73 1HD ARG 73 -8.660 -19.037 -0.468 521 HD3 ARG 73 2HD ARG 73 -9.612 -17.552 -0.428 522 HE ARG 73 HE ARG 73 -9.657 -18.341 -3.046 523 HH11 ARG 73 2HH1 ARG 73 -10.527 -19.795 -0.004 524 HH12 ARG 73 1HH1 ARG 73 -11.783 -20.776 -0.684 525 HH21 ARG 73 2HH2 ARG 73 -11.307 -19.628 -3.953 526 HH22 ARG 73 1HH2 ARG 73 -12.225 -20.681 -2.930 527 H TYR 74 H TYR 74 -6.342 -13.763 -0.988 528 HA TYR 74 HA TYR 74 -4.967 -12.867 1.460 529 HB2 TYR 74 1HB TYR 74 -5.208 -11.356 -1.150 530 HB3 TYR 74 2HB TYR 74 -4.390 -10.791 0.302 531 HD1 TYR 74 1HD TYR 74 -2.814 -13.046 1.167 532 HD2 TYR 74 2HD TYR 74 -3.613 -11.699 -2.789 533 HE1 TYR 74 1HE TYR 74 -0.721 -14.085 0.399 534 HE2 TYR 74 2HE TYR 74 -1.522 -12.735 -3.570 535 HH TYR 74 HH TYR 74 0.537 -13.537 -2.790 536 H THR 75 H THR 75 -6.006 -11.424 2.760 537 HA THR 75 HA THR 75 -8.571 -10.324 1.870 538 HB THR 75 HB THR 75 -8.978 -12.475 3.118 539 HG1 THR 75 1HG THR 75 -10.049 -9.989 3.626 540 HG21 THR 75 3HG2 THR 75 -8.133 -12.853 5.155 541 HG22 THR 75 1HG2 THR 75 -8.614 -11.258 5.733 542 HG23 THR 75 2HG2 THR 75 -7.087 -11.462 4.872 543 H VAL 76 H VAL 76 -9.214 -8.434 2.929 544 HA VAL 76 HA VAL 76 -7.109 -7.178 4.564 545 HB VAL 76 HB VAL 76 -8.010 -5.005 3.787 546 HG11 VAL 76 1HG1 VAL 76 -6.285 -6.659 2.516 547 HG12 VAL 76 2HG1 VAL 76 -7.461 -6.359 1.236 548 HG13 VAL 76 3HG1 VAL 76 -6.633 -5.007 2.007 549 HG21 VAL 76 3HG2 VAL 76 -9.411 -5.914 1.468 550 HG22 VAL 76 1HG2 VAL 76 -10.161 -6.601 2.908 551 HG23 VAL 76 2HG2 VAL 76 -9.974 -4.853 2.760 552 H GLY 77 H GLY 77 -7.926 -7.929 6.550 553 HA2 GLY 77 1HA GLY 77 -9.304 -7.958 8.396 554 HA3 GLY 77 2HA GLY 77 -9.558 -6.267 7.987 555 H GLY 78 H GLY 78 -10.542 -8.838 5.839 556 HA2 GLY 78 1HA GLY 78 -13.341 -8.438 6.675 557 HA3 GLY 78 2HA GLY 78 -12.889 -8.296 4.983 558 H LEU 79 H LEU 79 -14.825 -10.094 5.913 559 HA LEU 79 HA LEU 79 -13.741 -12.703 6.273 560 HB2 LEU 79 1HB LEU 79 -16.426 -11.534 5.816 561 HB3 LEU 79 2HB LEU 79 -16.214 -13.240 5.423 562 HG LEU 79 HG LEU 79 -17.114 -13.062 7.636 563 HD11 LEU 79 1HD1 LEU 79 -14.546 -13.691 8.682 564 HD12 LEU 79 2HD1 LEU 79 -14.648 -14.309 7.034 565 HD13 LEU 79 3HD1 LEU 79 -15.854 -14.783 8.230 566 HD21 LEU 79 3HD2 LEU 79 -14.730 -11.582 8.641 567 HD22 LEU 79 1HD2 LEU 79 -16.363 -11.674 9.301 568 HD23 LEU 79 2HD2 LEU 79 -16.042 -10.682 7.879 569 H GLU 80 H GLU 80 -14.253 -10.709 3.542 570 HA GLU 80 HA GLU 80 -14.577 -12.753 1.585 571 HB2 GLU 80 1HB GLU 80 -14.037 -9.828 1.561 572 HB3 GLU 80 2HB GLU 80 -13.622 -10.737 0.115 573 HG2 GLU 80 1HG GLU 80 -16.314 -11.132 1.302 574 HG3 GLU 80 2HG GLU 80 -15.989 -9.638 0.422 575 H THR 81 H THR 81 -12.876 -12.690 -0.328 576 HA THR 81 HA THR 81 -10.131 -12.648 0.620 577 HB THR 81 HB THR 81 -9.615 -14.925 0.088 578 HG1 THR 81 1HG THR 81 -12.339 -15.447 -0.494 579 HG21 THR 81 3HG2 THR 81 -10.459 -14.618 2.331 580 HG22 THR 81 1HG2 THR 81 -11.045 -16.158 1.702 581 HG23 THR 81 2HG2 THR 81 -12.122 -14.762 1.762 582 H PHE 82 H PHE 82 -8.621 -13.361 -1.223 583 HA PHE 82 HA PHE 82 -9.711 -12.892 -3.878 584 HB2 PHE 82 1HB PHE 82 -7.548 -11.134 -2.701 585 HB3 PHE 82 2HB PHE 82 -8.088 -11.103 -4.376 586 HD1 PHE 82 2HD PHE 82 -8.986 -10.300 -0.912 587 HD2 PHE 82 1HD PHE 82 -10.143 -10.050 -5.000 588 HE1 PHE 82 2HE PHE 82 -10.717 -8.656 -0.317 589 HE2 PHE 82 1HE PHE 82 -11.876 -8.404 -4.412 590 HZ PHE 82 HZ PHE 82 -12.165 -7.706 -2.068 591 H ASP 83 H ASP 83 -8.761 -14.188 -5.309 592 HA ASP 83 HA ASP 83 -7.109 -16.229 -4.861 593 HB2 ASP 83 1HB ASP 83 -7.374 -14.468 -7.268 594 HB3 ASP 83 2HB ASP 83 -6.167 -15.751 -7.267 595 H SER 84 H SER 84 -5.874 -13.043 -5.885 596 HA SER 84 HA SER 84 -3.540 -13.382 -4.207 597 HB2 SER 84 1HB SER 84 -3.056 -14.506 -6.458 598 HB3 SER 84 2HB SER 84 -3.087 -12.883 -7.147 599 HG SER 84 HG SER 84 -0.972 -13.613 -6.508 600 H LEU 85 H LEU 85 -1.958 -11.387 -4.936 601 HA LEU 85 HA LEU 85 -3.203 -9.086 -4.019 602 HB2 LEU 85 1HB LEU 85 -0.655 -9.676 -5.420 603 HB3 LEU 85 2HB LEU 85 -1.174 -7.994 -5.349 604 HG LEU 85 HG LEU 85 0.402 -8.520 -3.564 605 HD11 LEU 85 1HD1 LEU 85 -0.719 -6.924 -2.506 606 HD12 LEU 85 2HD1 LEU 85 -1.652 -8.189 -1.705 607 HD13 LEU 85 3HD1 LEU 85 -2.251 -7.462 -3.196 608 HD21 LEU 85 3HD2 LEU 85 0.181 -10.233 -2.073 609 HD22 LEU 85 1HD2 LEU 85 -0.591 -10.969 -3.478 610 HD23 LEU 85 2HD2 LEU 85 -1.578 -10.264 -2.197 611 H THR 86 H THR 86 -2.845 -10.295 -7.287 612 HA THR 86 HA THR 86 -3.528 -7.974 -8.701 613 HB THR 86 HB THR 86 -4.070 -10.852 -9.459 614 HG1 THR 86 1HG THR 86 -1.964 -9.295 -10.489 615 HG21 THR 86 3HG2 THR 86 -3.688 -8.617 -11.411 616 HG22 THR 86 1HG2 THR 86 -5.274 -8.885 -10.689 617 HG23 THR 86 2HG2 THR 86 -4.504 -10.166 -11.627 618 H ASP 87 H ASP 87 -5.616 -10.731 -7.817 619 HA ASP 87 HA ASP 87 -8.021 -9.582 -8.680 620 HB2 ASP 87 1HB ASP 87 -7.449 -12.027 -7.927 621 HB3 ASP 87 2HB ASP 87 -7.950 -11.452 -6.339 622 H LEU 88 H LEU 88 -6.456 -9.559 -5.499 623 HA LEU 88 HA LEU 88 -8.505 -8.202 -4.126 624 HB2 LEU 88 1HB LEU 88 -6.555 -9.454 -3.133 625 HB3 LEU 88 2HB LEU 88 -5.561 -8.049 -3.515 626 HG LEU 88 HG LEU 88 -8.002 -7.656 -1.852 627 HD11 LEU 88 1HD1 LEU 88 -6.193 -9.616 -1.153 628 HD12 LEU 88 2HD1 LEU 88 -7.286 -8.767 -0.061 629 HD13 LEU 88 3HD1 LEU 88 -5.630 -8.197 -0.269 630 HD21 LEU 88 3HD2 LEU 88 -6.888 -5.789 -1.072 631 HD22 LEU 88 1HD2 LEU 88 -6.332 -5.878 -2.744 632 HD23 LEU 88 2HD2 LEU 88 -5.296 -6.456 -1.439 633 H VAL 89 H VAL 89 -5.346 -6.876 -5.130 634 HA VAL 89 HA VAL 89 -5.879 -4.210 -4.703 635 HB VAL 89 HB VAL 89 -4.191 -5.377 -6.920 636 HG11 VAL 89 1HG1 VAL 89 -3.410 -3.319 -7.408 637 HG12 VAL 89 2HG1 VAL 89 -4.956 -2.794 -6.737 638 HG13 VAL 89 3HG1 VAL 89 -3.506 -2.770 -5.735 639 HG21 VAL 89 3HG2 VAL 89 -3.744 -5.995 -4.447 640 HG22 VAL 89 1HG2 VAL 89 -2.399 -5.443 -5.444 641 HG23 VAL 89 2HG2 VAL 89 -3.166 -4.335 -4.305 642 H GLU 90 H GLU 90 -6.131 -5.873 -7.853 643 HA GLU 90 HA GLU 90 -7.171 -3.868 -9.379 644 HB2 GLU 90 1HB GLU 90 -7.824 -6.812 -9.395 645 HB3 GLU 90 2HB GLU 90 -8.418 -5.703 -10.623 646 HG2 GLU 90 1HG GLU 90 -5.495 -5.908 -10.024 647 HG3 GLU 90 2HG GLU 90 -6.290 -7.058 -11.098 648 H HIS 91 H HIS 91 -9.132 -6.218 -7.544 649 HA HIS 91 HA HIS 91 -11.621 -5.084 -8.050 650 HB2 HIS 91 1HB HIS 91 -11.523 -7.261 -7.077 651 HB3 HIS 91 2HB HIS 91 -10.611 -6.672 -5.690 652 HD1 HIS 91 1HD HIS 91 -14.005 -7.337 -6.839 653 HD2 HIS 91 2HD HIS 91 -12.209 -4.991 -3.918 654 HE1 HIS 91 1HE HIS 91 -15.849 -6.724 -5.242 655 HE2 HIS 91 2HE HIS 91 -14.754 -5.235 -3.530 656 H PHE 92 H PHE 92 -9.072 -3.985 -6.030 657 HA PHE 92 HA PHE 92 -10.819 -2.207 -4.513 658 HB2 PHE 92 1HB PHE 92 -8.017 -3.154 -4.250 659 HB3 PHE 92 2HB PHE 92 -8.366 -1.534 -3.652 660 HD1 PHE 92 2HD PHE 92 -10.858 -1.608 -2.385 661 HD2 PHE 92 1HD PHE 92 -7.932 -4.692 -2.564 662 HE1 PHE 92 2HE PHE 92 -11.748 -2.567 -0.301 663 HE2 PHE 92 1HE PHE 92 -8.816 -5.658 -0.482 664 HZ PHE 92 HZ PHE 92 -10.726 -4.595 0.654 665 H LYS 93 H LYS 93 -8.670 -2.183 -7.211 666 HA LYS 93 HA LYS 93 -8.037 0.576 -7.243 667 HB2 LYS 93 1HB LYS 93 -8.158 -1.416 -9.515 668 HB3 LYS 93 2HB LYS 93 -7.432 0.183 -9.614 669 HG2 LYS 93 1HG LYS 93 -6.045 -0.711 -7.550 670 HG3 LYS 93 2HG LYS 93 -6.450 -2.272 -8.268 671 HD2 LYS 93 1HD LYS 93 -5.292 -0.035 -9.906 672 HD3 LYS 93 2HD LYS 93 -4.263 -1.148 -9.000 673 HE2 LYS 93 1HE LYS 93 -5.320 -3.036 -10.192 674 HE3 LYS 93 2HE LYS 93 -6.261 -1.884 -11.138 675 HZ1 LYS 93 3HZ LYS 93 -4.247 -2.689 -12.283 676 HZ2 LYS 93 1HZ LYS 93 -3.294 -1.974 -11.082 677 HZ3 LYS 93 2HZ LYS 93 -4.259 -1.009 -12.082 678 H LYS 94 H LYS 94 -10.872 -1.176 -8.049 679 HA LYS 94 HA LYS 94 -11.968 1.115 -9.529 680 HB2 LYS 94 1HB LYS 94 -13.799 -0.483 -10.150 681 HB3 LYS 94 2HB LYS 94 -12.208 -0.925 -10.755 682 HG2 LYS 94 1HG LYS 94 -11.984 -2.497 -8.843 683 HG3 LYS 94 2HG LYS 94 -13.652 -2.125 -8.402 684 HD2 LYS 94 1HD LYS 94 -14.119 -2.759 -10.908 685 HD3 LYS 94 2HD LYS 94 -12.593 -3.631 -10.750 686 HE2 LYS 94 1HE LYS 94 -14.057 -5.265 -10.104 687 HE3 LYS 94 2HE LYS 94 -13.720 -4.520 -8.542 688 HZ1 LYS 94 3HZ LYS 94 -16.114 -4.183 -10.248 689 HZ2 LYS 94 1HZ LYS 94 -15.748 -3.105 -8.995 690 HZ3 LYS 94 2HZ LYS 94 -16.034 -4.736 -8.651 691 H THR 95 H THR 95 -12.594 -1.041 -6.800 692 HA THR 95 HA THR 95 -14.977 0.392 -6.021 693 HB THR 95 HB THR 95 -15.065 -1.120 -4.115 694 HG1 THR 95 1HG THR 95 -13.100 -1.607 -3.419 695 HG21 THR 95 3HG2 THR 95 -15.015 -1.944 -6.851 696 HG22 THR 95 1HG2 THR 95 -15.990 -2.575 -5.524 697 HG23 THR 95 2HG2 THR 95 -14.395 -3.254 -5.846 698 H GLY 96 H GLY 96 -11.779 -0.159 -4.527 699 HA2 GLY 96 1HA GLY 96 -10.519 1.702 -3.633 700 HA3 GLY 96 2HA GLY 96 -12.045 2.485 -3.249 701 H ILE 97 H ILE 97 -10.011 2.220 -1.377 702 HA ILE 97 HA ILE 97 -11.110 0.190 0.455 703 HB ILE 97 HB ILE 97 -8.318 1.334 0.353 704 HG12 ILE 97 1HG1 ILE 97 -9.053 -1.571 0.179 705 HG13 ILE 97 2HG1 ILE 97 -9.147 -0.552 -1.253 706 HG21 ILE 97 1HG2 ILE 97 -9.799 -0.023 2.494 707 HG22 ILE 97 2HG2 ILE 97 -8.203 -0.690 2.153 708 HG23 ILE 97 3HG2 ILE 97 -8.374 1.013 2.577 709 HD11 ILE 97 3HD1 ILE 97 -7.037 -1.358 -1.477 710 HD12 ILE 97 1HD1 ILE 97 -6.698 0.089 -0.531 711 HD13 ILE 97 2HD1 ILE 97 -6.778 -1.484 0.262 712 H GLU 98 H GLU 98 -11.914 0.843 2.360 713 HA GLU 98 HA GLU 98 -11.758 3.711 2.977 714 HB2 GLU 98 1HB GLU 98 -14.020 3.030 2.705 715 HB3 GLU 98 2HB GLU 98 -13.781 1.596 3.693 716 HG2 GLU 98 1HG GLU 98 -13.825 2.781 5.669 717 HG3 GLU 98 2HG GLU 98 -13.394 4.301 4.886 718 H GLU 99 H GLU 99 -10.864 4.426 4.824 719 HA GLU 99 HA GLU 99 -9.614 2.441 6.565 720 HB2 GLU 99 1HB GLU 99 -9.226 5.428 6.321 721 HB3 GLU 99 2HB GLU 99 -8.379 4.415 7.483 722 HG2 GLU 99 1HG GLU 99 -7.428 3.121 5.609 723 HG3 GLU 99 2HG GLU 99 -8.207 4.233 4.485 724 H ALA 100 H ALA 100 -9.967 2.313 8.757 725 HA ALA 100 HA ALA 100 -12.410 2.555 9.841 726 HB1 ALA 100 1HB ALA 100 -10.454 1.531 10.958 727 HB2 ALA 100 2HB ALA 100 -9.889 3.146 11.385 728 HB3 ALA 100 3HB ALA 100 -11.414 2.545 12.035 729 H SER 101 H SER 101 -9.927 5.029 10.521 730 HA SER 101 HA SER 101 -11.413 6.918 11.759 731 HB2 SER 101 1HB SER 101 -9.807 8.527 11.124 732 HB3 SER 101 2HB SER 101 -8.932 6.996 11.093 733 HG SER 101 HG SER 101 -9.307 6.951 8.817 734 H GLY 102 H GLY 102 -11.374 6.248 8.301 735 HA2 GLY 102 1HA GLY 102 -13.751 6.687 7.408 736 HA3 GLY 102 2HA GLY 102 -13.404 8.341 7.891 737 H ALA 103 H ALA 103 -10.597 8.190 7.109 738 HA ALA 103 HA ALA 103 -10.598 9.316 4.648 739 HB1 ALA 103 1HB ALA 103 -8.639 8.311 6.388 740 HB2 ALA 103 2HB ALA 103 -8.283 7.634 4.799 741 HB3 ALA 103 3HB ALA 103 -8.409 9.380 5.005 742 H PHE 104 H PHE 104 -10.087 8.591 2.508 743 HA PHE 104 HA PHE 104 -10.793 5.779 1.995 744 HB2 PHE 104 1HB PHE 104 -11.948 8.270 0.861 745 HB3 PHE 104 2HB PHE 104 -11.693 6.933 -0.256 746 HD1 PHE 104 2HD PHE 104 -12.870 4.802 0.072 747 HD2 PHE 104 1HD PHE 104 -13.646 8.192 2.526 748 HE1 PHE 104 2HE PHE 104 -14.967 3.765 0.836 749 HE2 PHE 104 1HE PHE 104 -15.744 7.160 3.294 750 HZ PHE 104 HZ PHE 104 -16.408 4.944 2.448 751 H VAL 105 H VAL 105 -9.213 4.730 1.004 752 HA VAL 105 HA VAL 105 -7.108 6.227 -0.349 753 HB VAL 105 HB VAL 105 -7.296 3.299 0.370 754 HG11 VAL 105 1HG1 VAL 105 -5.092 4.878 -0.941 755 HG12 VAL 105 2HG1 VAL 105 -4.849 3.297 -0.196 756 HG13 VAL 105 3HG1 VAL 105 -5.934 3.466 -1.576 757 HG21 VAL 105 3HG2 VAL 105 -5.396 5.308 1.532 758 HG22 VAL 105 1HG2 VAL 105 -7.020 5.101 2.188 759 HG23 VAL 105 2HG2 VAL 105 -5.892 3.744 2.179 760 H TYR 106 H TYR 106 -6.744 6.201 -2.495 761 HA TYR 106 HA TYR 106 -8.451 4.455 -4.146 762 HB2 TYR 106 1HB TYR 106 -7.551 7.267 -4.805 763 HB3 TYR 106 2HB TYR 106 -8.564 6.241 -5.813 764 HD1 TYR 106 1HD TYR 106 -10.451 5.125 -3.863 765 HD2 TYR 106 2HD TYR 106 -8.895 9.070 -4.207 766 HE1 TYR 106 1HE TYR 106 -12.459 6.007 -2.751 767 HE2 TYR 106 2HE TYR 106 -10.898 9.963 -3.096 768 HH TYR 106 HH TYR 106 -12.667 9.219 -1.611 769 H LEU 107 H LEU 107 -7.501 3.352 -5.777 770 HA LEU 107 HA LEU 107 -4.600 3.731 -6.123 771 HB2 LEU 107 1HB LEU 107 -6.111 1.209 -6.730 772 HB3 LEU 107 2HB LEU 107 -4.371 1.422 -6.543 773 HG LEU 107 HG LEU 107 -5.098 2.094 -4.080 774 HD11 LEU 107 1HD1 LEU 107 -7.500 1.864 -4.558 775 HD12 LEU 107 2HD1 LEU 107 -6.957 0.762 -3.294 776 HD13 LEU 107 3HD1 LEU 107 -7.250 0.158 -4.925 777 HD21 LEU 107 3HD2 LEU 107 -4.018 -0.170 -5.350 778 HD22 LEU 107 1HD2 LEU 107 -5.197 -0.767 -4.181 779 HD23 LEU 107 2HD2 LEU 107 -3.885 0.286 -3.651 780 H ARG 108 H ARG 108 -4.460 5.040 -7.872 781 HA ARG 108 HA ARG 108 -6.051 4.416 -10.247 782 HB2 ARG 108 1HB ARG 108 -4.224 6.764 -9.702 783 HB3 ARG 108 2HB ARG 108 -5.271 6.574 -11.102 784 HG2 ARG 108 1HG ARG 108 -7.124 6.351 -9.225 785 HG3 ARG 108 2HG ARG 108 -5.946 7.290 -8.307 786 HD2 ARG 108 1HD ARG 108 -7.494 8.787 -9.395 787 HD3 ARG 108 2HD ARG 108 -5.900 8.953 -10.130 788 HE ARG 108 HE ARG 108 -7.616 7.094 -11.495 789 HH11 ARG 108 2HH1 ARG 108 -6.689 10.435 -11.179 790 HH12 ARG 108 1HH1 ARG 108 -7.204 10.864 -12.776 791 HH21 ARG 108 2HH2 ARG 108 -8.298 7.647 -13.599 792 HH22 ARG 108 1HH2 ARG 108 -8.120 9.278 -14.152 793 H GLN 109 H GLN 109 -2.671 4.852 -9.258 794 HA GLN 109 HA GLN 109 -1.861 3.051 -11.408 795 HB2 GLN 109 1HB GLN 109 -0.149 4.497 -12.239 796 HB3 GLN 109 2HB GLN 109 -1.653 5.408 -12.241 797 HG2 GLN 109 1HG GLN 109 0.181 5.606 -9.901 798 HG3 GLN 109 2HG GLN 109 0.549 6.492 -11.379 799 HE21 GLN 109 1HE2 GLN 109 0.178 7.975 -9.233 800 HE22 GLN 109 2HE2 GLN 109 -1.357 8.767 -9.253 801 HA PRO 110 HA PRO 110 0.696 1.389 -8.236 802 HB2 PRO 110 1HB PRO 110 2.494 0.067 -9.781 803 HB3 PRO 110 2HB PRO 110 0.835 -0.495 -9.544 804 HG2 PRO 110 1HG PRO 110 2.010 1.027 -11.839 805 HG3 PRO 110 2HG PRO 110 0.885 -0.343 -11.865 806 HD2 PRO 110 1HD PRO 110 0.071 2.218 -12.201 807 HD3 PRO 110 2HD PRO 110 -0.943 0.989 -11.418 808 H TYR 111 H TYR 111 3.371 0.902 -8.308 809 HA TYR 111 HA TYR 111 4.701 3.418 -8.981 810 HB2 TYR 111 1HB TYR 111 4.007 3.748 -6.684 811 HB3 TYR 111 2HB TYR 111 4.673 2.186 -6.219 812 HD1 TYR 111 1HD TYR 111 5.621 5.542 -7.500 813 HD2 TYR 111 2HD TYR 111 6.907 1.998 -5.529 814 HE1 TYR 111 1HE TYR 111 7.767 6.623 -6.971 815 HE2 TYR 111 2HE TYR 111 9.056 3.068 -4.993 816 HH TYR 111 HH TYR 111 10.427 5.161 -6.227 817 H TYR 112 H TYR 112 6.279 2.768 -10.287 818 HA TYR 112 HA TYR 112 7.624 0.222 -9.793 819 HB2 TYR 112 1HB TYR 112 8.131 2.058 -12.124 820 HB3 TYR 112 2HB TYR 112 8.405 0.322 -12.018 821 HD1 TYR 112 1HD TYR 112 6.063 -0.954 -11.305 822 HD2 TYR 112 2HD TYR 112 6.417 2.654 -13.532 823 HE1 TYR 112 1HE TYR 112 3.859 -1.368 -12.314 824 HE2 TYR 112 2HE TYR 112 4.212 2.251 -14.545 825 HH TYR 112 HH TYR 112 2.273 -0.590 -13.658 826 H SER 113 H SER 113 9.514 0.124 -8.791 827 HA SER 113 HA SER 113 10.836 2.171 -7.576 828 HB2 SER 113 1HB SER 113 12.790 0.709 -7.435 829 HB3 SER 113 2HB SER 113 11.317 -0.226 -7.187 830 HG SER 113 HG SER 113 12.282 -0.018 -9.792 831 H GLY 114 H GLY 114 13.094 2.989 -8.039 832 HA2 GLY 114 1HA GLY 114 14.682 3.920 -9.463 833 HA3 GLY 114 2HA GLY 114 13.806 3.253 -10.833 834 HA PRO 115 HA PRO 115 11.831 7.520 -9.555 835 HB2 PRO 115 1HB PRO 115 13.573 9.200 -8.324 836 HB3 PRO 115 2HB PRO 115 12.501 8.111 -7.438 837 HG2 PRO 115 1HG PRO 115 15.397 7.778 -8.120 838 HG3 PRO 115 2HG PRO 115 14.558 7.427 -6.597 839 HD2 PRO 115 1HD PRO 115 15.199 5.498 -8.386 840 HD3 PRO 115 2HD PRO 115 13.751 5.407 -7.360 841 H SER 116 H SER 116 15.323 7.442 -10.216 842 HA SER 116 HA SER 116 14.829 9.014 -12.644 843 HB2 SER 116 1HB SER 116 15.710 10.481 -10.785 844 HB3 SER 116 2HB SER 116 17.189 9.522 -10.824 845 HG SER 116 HG SER 116 17.720 10.379 -12.710 846 H SER 117 H SER 117 16.435 8.749 -14.297 847 HA SER 117 HA SER 117 17.103 6.281 -15.048 848 HB2 SER 117 1HB SER 117 17.649 8.617 -16.138 849 HB3 SER 117 2HB SER 117 19.243 8.341 -15.433 850 HG SER 117 HG SER 117 19.429 7.357 -17.333 851 H GLY 118 H GLY 118 17.788 4.752 -13.646 852 HA2 GLY 118 1HA GLY 118 20.005 5.295 -11.843 853 HA3 GLY 118 2HA GLY 118 19.049 3.822 -11.908 854 H1 MET 1 H MET 1 8.118 4.092 26.462 855 HA MET 1 HA MET 1 7.037 4.222 23.907 856 HB2 MET 1 1HB MET 1 5.881 5.144 25.831 857 HB3 MET 1 2HB MET 1 7.140 6.351 26.051 858 HG2 MET 1 1HG MET 1 6.530 7.164 23.714 859 HG3 MET 1 2HG MET 1 5.083 6.171 23.881 860 HE1 MET 1 3HE MET 1 6.415 9.683 24.281 861 HE2 MET 1 1HE MET 1 5.061 9.208 23.254 862 HE3 MET 1 2HE MET 1 4.798 10.308 24.607 863 H ASP 2 H ASP 2 8.022 4.745 22.076 864 HA ASP 2 HA ASP 2 9.240 7.263 21.668 865 HB2 ASP 2 1HB ASP 2 11.537 6.604 21.269 866 HB3 ASP 2 2HB ASP 2 11.086 6.153 22.910 867 H ASN 3 H ASN 3 8.789 7.753 19.632 868 HA ASN 3 HA ASN 3 7.722 5.920 17.799 869 HB2 ASN 3 1HB ASN 3 7.643 8.565 17.924 870 HB3 ASN 3 2HB ASN 3 9.004 8.432 16.813 871 HD21 ASN 3 1HD2 ASN 3 5.651 7.492 17.314 872 HD22 ASN 3 2HD2 ASN 3 5.249 7.355 15.640 873 H GLN 4 H GLN 4 8.870 4.235 17.075 874 HA GLN 4 HA GLN 4 11.552 4.770 15.978 875 HB2 GLN 4 1HB GLN 4 12.142 2.463 16.497 876 HB3 GLN 4 2HB GLN 4 11.620 3.306 17.950 877 HG2 GLN 4 1HG GLN 4 9.753 1.596 16.345 878 HG3 GLN 4 2HG GLN 4 10.788 0.932 17.608 879 HE21 GLN 4 1HE2 GLN 4 10.402 1.481 19.755 880 HE22 GLN 4 2HE2 GLN 4 8.908 2.178 20.269 881 H GLY 5 H GLY 5 8.416 3.364 15.460 882 HA2 GLY 5 1HA GLY 5 9.228 2.723 12.692 883 HA3 GLY 5 2HA GLY 5 8.135 1.692 13.604 884 H VAL 6 H VAL 6 6.715 2.037 11.737 885 HA VAL 6 HA VAL 6 5.263 4.595 11.946 886 HB VAL 6 HB VAL 6 4.569 4.294 9.603 887 HG11 VAL 6 1HG1 VAL 6 7.509 4.090 9.398 888 HG12 VAL 6 2HG1 VAL 6 6.410 5.333 8.796 889 HG13 VAL 6 3HG1 VAL 6 6.884 5.320 10.496 890 HG21 VAL 6 3HG2 VAL 6 5.049 2.484 8.338 891 HG22 VAL 6 1HG2 VAL 6 6.636 2.259 9.073 892 HG23 VAL 6 2HG2 VAL 6 5.190 1.689 9.905 893 H ILE 7 H ILE 7 3.034 4.548 12.001 894 HA ILE 7 HA ILE 7 1.856 2.137 13.007 895 HB ILE 7 HB ILE 7 0.422 4.675 12.231 896 HG12 ILE 7 1HG1 ILE 7 2.382 4.983 13.828 897 HG13 ILE 7 2HG1 ILE 7 0.814 5.537 14.407 898 HG21 ILE 7 1HG2 ILE 7 -0.673 3.404 14.510 899 HG22 ILE 7 2HG2 ILE 7 -1.399 3.611 12.917 900 HG23 ILE 7 3HG2 ILE 7 -0.442 2.173 13.270 901 HD11 ILE 7 3HD1 ILE 7 2.596 3.757 15.646 902 HD12 ILE 7 1HD1 ILE 7 0.990 4.244 16.186 903 HD13 ILE 7 2HD1 ILE 7 1.182 2.816 15.169 904 H PTR 8 H PTR 8 0.299 0.844 12.074 905 HA PTR 8 HA PTR 8 0.099 1.053 9.153 906 HB2 PTR 8 2HB PTR 8 -0.025 -1.240 11.076 907 HB3 PTR 8 3HB PTR 8 -0.803 -1.384 9.504 908 HD1 PTR 8 1HD PTR 8 2.460 -0.054 10.773 909 HD2 PTR 8 2HD PTR 8 0.451 -2.531 7.955 910 HE1 PTR 8 1HE PTR 8 4.622 -0.653 9.765 911 HE2 PTR 8 2HE PTR 8 2.607 -3.137 6.941 912 H SER 9 H SER 9 -1.654 2.188 8.597 913 HA SER 9 HA SER 9 -3.943 2.662 10.023 914 HB2 SER 9 1HB SER 9 -3.683 2.367 7.021 915 HB3 SER 9 2HB SER 9 -5.046 3.122 7.845 916 HG SER 9 HG SER 9 -2.422 4.036 7.525 917 H ASP 10 H ASP 10 -6.207 1.902 9.404 918 HA ASP 10 HA ASP 10 -6.275 -0.984 8.877 919 HB2 ASP 10 1HB ASP 10 -7.164 0.432 11.333 920 HB3 ASP 10 2HB ASP 10 -8.210 -0.849 10.729 921 H LEU 11 H LEU 11 -8.860 -1.553 9.011 922 HA LEU 11 HA LEU 11 -10.098 0.305 7.090 923 HB2 LEU 11 1HB LEU 11 -10.483 -2.663 7.443 924 HB3 LEU 11 2HB LEU 11 -11.408 -1.658 6.329 925 HG LEU 11 HG LEU 11 -8.464 -2.294 6.189 926 HD11 LEU 11 1HD1 LEU 11 -9.595 -4.128 5.330 927 HD12 LEU 11 2HD1 LEU 11 -9.287 -3.145 3.900 928 HD13 LEU 11 3HD1 LEU 11 -10.885 -3.140 4.645 929 HD21 LEU 11 3HD2 LEU 11 -10.121 -0.495 4.423 930 HD22 LEU 11 1HD2 LEU 11 -8.447 -0.969 4.137 931 HD23 LEU 11 2HD2 LEU 11 -8.854 0.024 5.536 932 H ASN 12 H ASN 12 -12.657 -0.383 7.080 933 HA ASN 12 HA ASN 12 -13.597 0.583 9.628 934 HB2 ASN 12 1HB ASN 12 -15.589 1.064 8.562 935 HB3 ASN 12 2HB ASN 12 -14.471 1.120 7.201 936 HD21 ASN 12 1HD2 ASN 12 -14.231 -0.920 5.973 937 HD22 ASN 12 2HD2 ASN 12 -15.643 -1.889 5.738 938 H LEU 13 H LEU 13 -14.021 -2.363 7.690 939 HA LEU 13 HA LEU 13 -15.802 -3.764 9.219 940 HB2 LEU 13 1HB LEU 13 -13.462 -5.313 8.306 941 HB3 LEU 13 2HB LEU 13 -15.182 -5.597 8.044 942 HG LEU 13 HG LEU 13 -14.873 -3.470 6.461 943 HD11 LEU 13 1HD1 LEU 13 -12.188 -4.839 6.387 944 HD12 LEU 13 2HD1 LEU 13 -12.497 -3.210 6.990 945 HD13 LEU 13 3HD1 LEU 13 -12.750 -3.582 5.284 946 HD21 LEU 13 3HD2 LEU 13 -14.773 -4.990 4.611 947 HD22 LEU 13 1HD2 LEU 13 -15.737 -5.733 5.887 948 HD23 LEU 13 2HD2 LEU 13 -14.073 -6.253 5.624 949 HA PRO 14 HA PRO 14 -12.177 -5.338 12.029 950 HB2 PRO 14 1HB PRO 14 -9.869 -3.910 11.936 951 HB3 PRO 14 2HB PRO 14 -10.183 -5.299 10.888 952 HG2 PRO 14 1HG PRO 14 -10.433 -2.377 10.286 953 HG3 PRO 14 2HG PRO 14 -9.749 -3.672 9.285 954 HD2 PRO 14 1HD PRO 14 -12.244 -2.694 8.897 955 HD3 PRO 14 2HD PRO 14 -11.821 -4.387 8.573 956 HA PRO 15 HA PRO 15 -13.204 -2.380 15.140 957 HB2 PRO 15 1HB PRO 15 -11.844 -3.468 17.223 958 HB3 PRO 15 2HB PRO 15 -13.336 -4.165 16.580 959 HG2 PRO 15 1HG PRO 15 -10.497 -4.960 16.063 960 HG3 PRO 15 2HG PRO 15 -11.909 -5.988 16.364 961 HD2 PRO 15 1HD PRO 15 -10.930 -5.548 13.877 962 HD3 PRO 15 2HD PRO 15 -12.658 -5.811 14.190 Start of MODEL 4 1 H1 GLY 1 H GLY 1 12.560 -4.000 -28.781 2 HA2 GLY 1 1HA GLY 1 10.511 -3.943 -26.993 3 HA3 GLY 1 2HA GLY 1 11.405 -5.410 -27.367 4 H SER 2 H SER 2 10.237 -3.892 -24.859 5 HA SER 2 HA SER 2 12.369 -3.436 -23.097 6 HB2 SER 2 1HB SER 2 10.709 -3.581 -21.314 7 HB3 SER 2 2HB SER 2 10.038 -2.694 -22.683 8 HG SER 2 HG SER 2 9.038 -4.701 -23.316 9 H SER 3 H SER 3 12.658 -4.777 -21.033 10 HA SER 3 HA SER 3 13.591 -7.366 -21.816 11 HB2 SER 3 1HB SER 3 14.300 -7.557 -19.438 12 HB3 SER 3 2HB SER 3 14.858 -6.068 -20.199 13 HG SER 3 HG SER 3 13.802 -5.993 -18.004 14 H GLY 4 H GLY 4 11.178 -6.277 -19.420 15 HA2 GLY 4 1HA GLY 4 9.243 -8.181 -20.076 16 HA3 GLY 4 2HA GLY 4 10.237 -8.867 -18.799 17 H SER 5 H SER 5 7.387 -8.002 -18.856 18 HA SER 5 HA SER 5 7.242 -5.680 -17.166 19 HB2 SER 5 1HB SER 5 5.212 -7.669 -18.165 20 HB3 SER 5 2HB SER 5 4.787 -6.437 -16.978 21 HG SER 5 HG SER 5 6.126 -5.654 -19.308 22 H SER 6 H SER 6 6.988 -5.581 -14.992 23 HA SER 6 HA SER 6 7.194 -8.128 -13.530 24 HB2 SER 6 1HB SER 6 8.202 -5.360 -12.865 25 HB3 SER 6 2HB SER 6 8.127 -6.655 -11.670 26 HG SER 6 HG SER 6 9.381 -7.155 -14.123 27 H GLY 7 H GLY 7 5.863 -4.834 -13.201 28 HA2 GLY 7 1HA GLY 7 3.428 -4.694 -12.790 29 HA3 GLY 7 2HA GLY 7 3.639 -6.022 -11.656 30 H TRP 8 H TRP 8 2.960 -5.045 -9.810 31 HA TRP 8 HA TRP 8 4.436 -2.637 -8.968 32 HB2 TRP 8 1HB TRP 8 2.343 -2.579 -7.307 33 HB3 TRP 8 2HB TRP 8 2.292 -1.849 -8.909 34 HD1 TRP 8 HD TRP 8 0.155 -2.428 -10.169 35 HE1 TRP 8 1HE TRP 8 -1.481 -4.414 -10.231 36 HE3 TRP 8 3HE TRP 8 2.466 -5.490 -6.790 37 HZ2 TRP 8 2HZ TRP 8 -1.757 -6.943 -9.010 38 HZ3 TRP 8 3HZ TRP 8 1.450 -7.676 -6.292 39 HH2 TRP 8 HH TRP 8 -0.618 -8.386 -7.380 40 H TYR 9 H TYR 9 5.197 -5.485 -8.675 41 HA TYR 9 HA TYR 9 5.124 -5.742 -5.746 42 HB2 TYR 9 1HB TYR 9 4.362 -7.627 -7.406 43 HB3 TYR 9 2HB TYR 9 6.090 -7.926 -7.555 44 HD1 TYR 9 1HD TYR 9 3.226 -7.952 -5.241 45 HD2 TYR 9 2HD TYR 9 7.333 -8.933 -5.768 46 HE1 TYR 9 1HE TYR 9 3.163 -9.295 -3.181 47 HE2 TYR 9 2HE TYR 9 7.281 -10.280 -3.710 48 HH TYR 9 HH TYR 9 6.029 -11.067 -2.056 49 H HIS 10 H HIS 10 6.811 -4.537 -5.035 50 HA HIS 10 HA HIS 10 9.340 -4.434 -6.347 51 HB2 HIS 10 1HB HIS 10 8.493 -3.590 -3.569 52 HB3 HIS 10 2HB HIS 10 10.080 -3.267 -4.258 53 HD1 HIS 10 1HD HIS 10 10.293 -1.069 -5.363 54 HD2 HIS 10 2HD HIS 10 6.351 -2.380 -5.281 55 HE1 HIS 10 1HE HIS 10 8.940 0.805 -6.356 56 HE2 HIS 10 2HE HIS 10 6.550 0.023 -6.218 57 H GLY 11 H GLY 11 8.424 -5.776 -3.162 58 HA2 GLY 11 1HA GLY 11 9.093 -8.173 -2.840 59 HA3 GLY 11 2HA GLY 11 10.660 -7.684 -3.466 60 H HIS 12 H HIS 12 12.168 -7.277 -2.001 61 HA HIS 12 HA HIS 12 11.507 -7.191 0.789 62 HB2 HIS 12 1HB HIS 12 13.768 -7.461 1.190 63 HB3 HIS 12 2HB HIS 12 13.627 -8.170 -0.415 64 HD1 HIS 12 1HD HIS 12 14.722 -4.956 1.258 65 HD2 HIS 12 2HD HIS 12 15.186 -6.995 -2.332 66 HE1 HIS 12 1HE HIS 12 16.467 -3.677 -0.021 67 HE2 HIS 12 2HE HIS 12 16.669 -4.880 -2.224 68 H MET 13 H MET 13 10.948 -5.443 1.889 69 HA MET 13 HA MET 13 12.334 -2.990 1.760 70 HB2 MET 13 1HB MET 13 11.173 -2.689 -0.351 71 HB3 MET 13 2HB MET 13 9.629 -3.045 0.412 72 HG2 MET 13 1HG MET 13 10.145 -1.022 1.910 73 HG3 MET 13 2HG MET 13 11.347 -0.614 0.688 74 HE1 MET 13 3HE MET 13 9.781 -1.441 -2.160 75 HE2 MET 13 1HE MET 13 9.392 0.260 -2.420 76 HE3 MET 13 2HE MET 13 10.931 -0.190 -1.683 77 H SER 14 H SER 14 11.667 -1.523 3.367 78 HA SER 14 HA SER 14 9.767 -2.674 5.297 79 HB2 SER 14 1HB SER 14 11.041 -1.804 7.037 80 HB3 SER 14 2HB SER 14 12.287 -2.207 5.856 81 HG SER 14 HG SER 14 11.745 0.159 6.921 82 H GLY 15 H GLY 15 8.464 -1.163 6.558 83 HA2 GLY 15 1HA GLY 15 6.888 0.505 5.047 84 HA3 GLY 15 2HA GLY 15 7.057 0.643 6.790 85 H GLY 16 H GLY 16 9.350 1.673 7.357 86 HA2 GLY 16 1HA GLY 16 9.267 4.341 6.885 87 HA3 GLY 16 2HA GLY 16 10.771 3.487 7.197 88 H GLN 17 H GLN 17 10.751 1.930 4.787 89 HA GLN 17 HA GLN 17 11.978 3.813 3.039 90 HB2 GLN 17 1HB GLN 17 12.389 1.226 3.393 91 HB3 GLN 17 2HB GLN 17 11.207 1.086 2.098 92 HG2 GLN 17 1HG GLN 17 13.196 1.083 0.949 93 HG3 GLN 17 2HG GLN 17 12.720 2.777 0.861 94 HE21 GLN 17 1HE2 GLN 17 14.955 3.218 0.454 95 HE22 GLN 17 2HE2 GLN 17 16.075 3.308 1.766 96 H ALA 18 H ALA 18 9.243 1.603 2.427 97 HA ALA 18 HA ALA 18 8.320 2.479 0.063 98 HB1 ALA 18 1HB ALA 18 6.030 2.281 1.765 99 HB2 ALA 18 2HB ALA 18 6.629 1.135 0.565 100 HB3 ALA 18 3HB ALA 18 7.217 1.061 2.226 101 H GLU 19 H GLU 19 7.687 4.074 3.169 102 HA GLU 19 HA GLU 19 5.972 6.074 2.286 103 HB2 GLU 19 1HB GLU 19 7.832 5.759 4.580 104 HB3 GLU 19 2HB GLU 19 7.269 7.387 4.231 105 HG2 GLU 19 1HG GLU 19 4.919 6.309 4.212 106 HG3 GLU 19 2HG GLU 19 5.704 4.991 5.080 107 H THR 20 H THR 20 9.517 6.073 2.443 108 HA THR 20 HA THR 20 9.895 8.705 1.525 109 HB THR 20 HB THR 20 11.758 6.344 1.202 110 HG1 THR 20 1HG THR 20 10.948 7.175 3.410 111 HG21 THR 20 3HG2 THR 20 12.835 7.864 -0.091 112 HG22 THR 20 1HG2 THR 20 13.363 8.487 1.472 113 HG23 THR 20 2HG2 THR 20 12.000 9.236 0.638 114 H LEU 21 H LEU 21 10.010 5.610 -0.236 115 HA LEU 21 HA LEU 21 10.521 6.653 -2.772 116 HB2 LEU 21 1HB LEU 21 8.952 4.190 -2.027 117 HB3 LEU 21 2HB LEU 21 9.585 4.546 -3.632 118 HG LEU 21 HG LEU 21 11.879 4.634 -2.309 119 HD11 LEU 21 1HD1 LEU 21 9.996 3.457 -0.423 120 HD12 LEU 21 2HD1 LEU 21 11.618 4.096 -0.160 121 HD13 LEU 21 3HD1 LEU 21 11.405 2.442 -0.733 122 HD21 LEU 21 3HD2 LEU 21 11.609 3.170 -4.133 123 HD22 LEU 21 1HD2 LEU 21 10.386 2.217 -3.292 124 HD23 LEU 21 2HD2 LEU 21 12.071 2.144 -2.774 125 H LEU 22 H LEU 22 7.418 5.917 -1.205 126 HA LEU 22 HA LEU 22 5.789 6.695 -3.370 127 HB2 LEU 22 1HB LEU 22 5.332 6.374 -0.429 128 HB3 LEU 22 2HB LEU 22 4.064 7.018 -1.469 129 HG LEU 22 HG LEU 22 5.364 4.329 -1.877 130 HD11 LEU 22 1HD1 LEU 22 2.655 4.830 -0.678 131 HD12 LEU 22 2HD1 LEU 22 4.102 4.604 0.304 132 HD13 LEU 22 3HD1 LEU 22 3.555 3.315 -0.767 133 HD21 LEU 22 3HD2 LEU 22 4.057 5.752 -3.707 134 HD22 LEU 22 1HD2 LEU 22 2.669 5.033 -2.889 135 HD23 LEU 22 2HD2 LEU 22 3.912 3.997 -3.592 136 H GLN 23 H GLN 23 6.494 8.436 -0.335 137 HA GLN 23 HA GLN 23 5.250 10.825 -0.960 138 HB2 GLN 23 1HB GLN 23 7.663 10.229 0.742 139 HB3 GLN 23 2HB GLN 23 6.993 11.850 0.608 140 HG2 GLN 23 1HG GLN 23 4.876 11.079 1.495 141 HG3 GLN 23 2HG GLN 23 5.488 9.428 1.568 142 HE21 GLN 23 1HE2 GLN 23 4.455 11.046 3.717 143 HE22 GLN 23 2HE2 GLN 23 5.723 11.195 4.881 144 H ALA 24 H ALA 24 8.434 9.663 -1.882 145 HA ALA 24 HA ALA 24 9.428 12.095 -2.919 146 HB1 ALA 24 1HB ALA 24 10.783 10.062 -2.348 147 HB2 ALA 24 2HB ALA 24 10.192 9.333 -3.843 148 HB3 ALA 24 3HB ALA 24 11.165 10.804 -3.903 149 H LYS 25 H LYS 25 7.398 9.579 -4.260 150 HA LYS 25 HA LYS 25 7.621 10.319 -6.980 151 HB2 LYS 25 1HB LYS 25 6.706 8.143 -6.078 152 HB3 LYS 25 2HB LYS 25 5.235 9.015 -5.665 153 HG2 LYS 25 1HG LYS 25 4.815 7.960 -7.724 154 HG3 LYS 25 2HG LYS 25 5.082 9.665 -8.099 155 HD2 LYS 25 1HD LYS 25 7.566 8.878 -8.420 156 HD3 LYS 25 2HD LYS 25 6.814 7.298 -8.653 157 HE2 LYS 25 1HE LYS 25 6.881 8.113 -10.810 158 HE3 LYS 25 2HE LYS 25 5.260 8.581 -10.298 159 HZ1 LYS 25 3HZ LYS 25 6.245 10.441 -11.356 160 HZ2 LYS 25 1HZ LYS 25 7.667 10.307 -10.448 161 HZ3 LYS 25 2HZ LYS 25 6.228 10.783 -9.698 162 H GLY 26 H GLY 26 5.373 11.258 -4.409 163 HA2 GLY 26 1HA GLY 26 4.092 13.165 -4.205 164 HA3 GLY 26 2HA GLY 26 4.860 13.778 -5.662 165 H GLU 27 H GLU 27 3.675 10.773 -6.364 166 HA GLU 27 HA GLU 27 1.409 11.927 -7.778 167 HB2 GLU 27 1HB GLU 27 2.962 9.385 -7.969 168 HB3 GLU 27 2HB GLU 27 1.313 9.405 -8.581 169 HG2 GLU 27 1HG GLU 27 3.198 11.550 -9.425 170 HG3 GLU 27 2HG GLU 27 3.332 9.947 -10.146 171 HA PRO 28 HA PRO 28 -1.324 10.587 -4.518 172 HB2 PRO 28 1HB PRO 28 -3.600 11.490 -5.691 173 HB3 PRO 28 2HB PRO 28 -2.456 12.555 -4.865 174 HG2 PRO 28 1HG PRO 28 -2.764 12.014 -7.793 175 HG3 PRO 28 2HG PRO 28 -2.501 13.559 -6.962 176 HD2 PRO 28 1HD PRO 28 -0.502 12.209 -8.191 177 HD3 PRO 28 2HD PRO 28 -0.236 13.200 -6.743 178 H TRP 29 H TRP 29 -2.546 8.793 -4.191 179 HA TRP 29 HA TRP 29 -3.729 6.884 -4.604 180 HB2 TRP 29 1HB TRP 29 -3.889 7.634 -7.517 181 HB3 TRP 29 2HB TRP 29 -5.002 6.641 -6.579 182 HD1 TRP 29 HD TRP 29 -5.291 9.662 -8.236 183 HE1 TRP 29 1HE TRP 29 -6.750 11.402 -7.024 184 HE3 TRP 29 3HE TRP 29 -5.255 7.625 -3.547 185 HZ2 TRP 29 2HZ TRP 29 -7.753 11.852 -4.424 186 HZ3 TRP 29 3HZ TRP 29 -6.489 8.773 -1.754 187 HH2 TRP 29 HH TRP 29 -7.711 10.842 -2.184 188 H THR 30 H THR 30 -0.800 7.212 -4.951 189 HA THR 30 HA THR 30 -0.120 5.251 -6.987 190 HB THR 30 HB THR 30 1.627 6.773 -5.044 191 HG1 THR 30 1HG THR 30 0.672 8.011 -6.759 192 HG21 THR 30 3HG2 THR 30 3.167 5.208 -5.481 193 HG22 THR 30 1HG2 THR 30 3.211 5.858 -7.119 194 HG23 THR 30 2HG2 THR 30 2.178 4.478 -6.746 195 H PHE 31 H PHE 31 -0.745 3.244 -6.372 196 HA PHE 31 HA PHE 31 -0.173 2.322 -3.664 197 HB2 PHE 31 1HB PHE 31 -1.623 0.509 -4.093 198 HB3 PHE 31 2HB PHE 31 -2.383 1.889 -4.880 199 HD1 PHE 31 1HD PHE 31 -2.145 2.157 -7.361 200 HD2 PHE 31 2HD PHE 31 -1.000 -1.395 -5.313 201 HE1 PHE 31 1HE PHE 31 -2.204 0.916 -9.486 202 HE2 PHE 31 2HE PHE 31 -1.056 -2.641 -7.434 203 HZ PHE 31 HZ PHE 31 -1.658 -1.485 -9.524 204 H LEU 32 H LEU 32 1.018 0.403 -3.247 205 HA LEU 32 HA LEU 32 2.545 -0.822 -5.368 206 HB2 LEU 32 1HB LEU 32 4.648 -0.091 -4.837 207 HB3 LEU 32 2HB LEU 32 3.701 1.368 -4.549 208 HG LEU 32 HG LEU 32 3.655 0.471 -2.080 209 HD11 LEU 32 1HD1 LEU 32 6.347 -0.571 -2.795 210 HD12 LEU 32 2HD1 LEU 32 4.947 -1.619 -3.016 211 HD13 LEU 32 3HD1 LEU 32 5.311 -0.960 -1.422 212 HD21 LEU 32 3HD2 LEU 32 5.976 1.615 -1.811 213 HD22 LEU 32 1HD2 LEU 32 4.602 2.551 -2.398 214 HD23 LEU 32 2HD2 LEU 32 5.808 1.948 -3.535 215 H VAL 33 H VAL 33 3.063 -2.880 -4.882 216 HA VAL 33 HA VAL 33 2.284 -3.871 -2.251 217 HB VAL 33 HB VAL 33 3.149 -5.504 -4.635 218 HG11 VAL 33 1HG1 VAL 33 2.772 -7.287 -3.360 219 HG12 VAL 33 2HG1 VAL 33 2.629 -6.194 -1.982 220 HG13 VAL 33 3HG1 VAL 33 1.189 -6.679 -2.878 221 HG21 VAL 33 3HG2 VAL 33 0.442 -4.415 -3.908 222 HG22 VAL 33 1HG2 VAL 33 1.310 -4.268 -5.436 223 HG23 VAL 33 2HG2 VAL 33 0.647 -5.827 -4.945 224 H ARG 34 H ARG 34 3.639 -4.908 -0.842 225 HA ARG 34 HA ARG 34 6.405 -5.399 -1.578 226 HB2 ARG 34 1HB ARG 34 7.380 -4.020 0.102 227 HB3 ARG 34 2HB ARG 34 6.263 -3.005 -0.802 228 HG2 ARG 34 1HG ARG 34 4.602 -3.246 0.969 229 HG3 ARG 34 2HG ARG 34 5.717 -4.272 1.875 230 HD2 ARG 34 1HD ARG 34 7.322 -2.200 1.560 231 HD3 ARG 34 2HD ARG 34 5.795 -1.337 1.385 232 HE ARG 34 HE ARG 34 6.867 -2.517 3.793 233 HH11 ARG 34 2HH1 ARG 34 4.035 -1.311 2.167 234 HH12 ARG 34 1HH1 ARG 34 3.166 -0.999 3.634 235 HH21 ARG 34 2HH2 ARG 34 5.734 -2.112 5.731 236 HH22 ARG 34 1HH2 ARG 34 4.134 -1.454 5.660 237 H GLU 35 H GLU 35 7.595 -6.543 0.148 238 HA GLU 35 HA GLU 35 5.792 -8.377 1.532 239 HB2 GLU 35 1HB GLU 35 8.748 -8.486 0.933 240 HB3 GLU 35 2HB GLU 35 7.925 -9.679 1.927 241 HG2 GLU 35 1HG GLU 35 6.348 -9.895 -0.136 242 HG3 GLU 35 2HG GLU 35 7.706 -9.177 -1.001 243 H SER 36 H SER 36 5.710 -8.633 3.713 244 HA SER 36 HA SER 36 6.733 -6.474 5.320 245 HB2 SER 36 1HB SER 36 4.461 -7.488 5.647 246 HB3 SER 36 2HB SER 36 5.253 -8.949 6.236 247 HG SER 36 HG SER 36 5.020 -6.438 7.431 248 H LEU 37 H LEU 37 8.040 -6.728 7.207 249 HA LEU 37 HA LEU 37 10.053 -8.824 6.878 250 HB2 LEU 37 1HB LEU 37 10.068 -6.298 8.522 251 HB3 LEU 37 2HB LEU 37 11.401 -7.446 8.426 252 HG LEU 37 HG LEU 37 10.337 -6.008 6.007 253 HD11 LEU 37 1HD1 LEU 37 11.006 -4.276 7.509 254 HD12 LEU 37 2HD1 LEU 37 12.280 -4.476 6.306 255 HD13 LEU 37 3HD1 LEU 37 12.487 -5.138 7.928 256 HD21 LEU 37 3HD2 LEU 37 11.641 -7.884 5.408 257 HD22 LEU 37 1HD2 LEU 37 12.844 -7.542 6.651 258 HD23 LEU 37 2HD2 LEU 37 12.702 -6.485 5.246 259 H SER 38 H SER 38 7.889 -7.447 9.314 260 HA SER 38 HA SER 38 8.689 -9.037 11.480 261 HB2 SER 38 1HB SER 38 5.905 -7.964 10.969 262 HB3 SER 38 2HB SER 38 6.609 -8.388 12.530 263 HG SER 38 HG SER 38 7.090 -6.330 12.535 264 H GLN 39 H GLN 39 5.902 -9.468 9.295 265 HA GLN 39 HA GLN 39 5.719 -12.262 10.161 266 HB2 GLN 39 1HB GLN 39 3.807 -10.317 8.958 267 HB3 GLN 39 2HB GLN 39 3.563 -12.027 8.631 268 HG2 GLN 39 1HG GLN 39 3.493 -12.467 11.041 269 HG3 GLN 39 2HG GLN 39 3.700 -10.743 11.350 270 HE21 GLN 39 1HE2 GLN 39 1.491 -12.989 11.537 271 HE22 GLN 39 2HE2 GLN 39 0.070 -12.127 11.066 272 HA PRO 40 HA PRO 40 7.885 -13.100 6.296 273 HB2 PRO 40 1HB PRO 40 8.423 -15.689 6.906 274 HB3 PRO 40 2HB PRO 40 9.376 -14.337 7.529 275 HG2 PRO 40 1HG PRO 40 7.190 -15.886 8.863 276 HG3 PRO 40 2HG PRO 40 8.740 -15.339 9.528 277 HD2 PRO 40 1HD PRO 40 6.412 -14.041 10.003 278 HD3 PRO 40 2HD PRO 40 7.970 -13.198 9.895 279 H GLY 41 H GLY 41 4.880 -13.913 7.357 280 HA2 GLY 41 1HA GLY 41 4.345 -15.463 4.906 281 HA3 GLY 41 2HA GLY 41 3.666 -15.965 6.447 282 H ASP 42 H ASP 42 3.992 -12.610 5.510 283 HA ASP 42 HA ASP 42 1.150 -12.456 4.842 284 HB2 ASP 42 1HB ASP 42 2.482 -11.054 7.146 285 HB3 ASP 42 2HB ASP 42 1.060 -10.367 6.367 286 H PHE 43 H PHE 43 0.549 -10.355 3.908 287 HA PHE 43 HA PHE 43 2.849 -9.068 2.588 288 HB2 PHE 43 1HB PHE 43 0.064 -9.506 1.487 289 HB3 PHE 43 2HB PHE 43 1.365 -8.654 0.661 290 HD1 PHE 43 1HD PHE 43 0.739 -11.945 2.303 291 HD2 PHE 43 2HD PHE 43 2.583 -9.820 -0.891 292 HE1 PHE 43 1HE PHE 43 1.514 -14.072 1.340 293 HE2 PHE 43 2HE PHE 43 3.360 -11.945 -1.859 294 HZ PHE 43 HZ PHE 43 2.825 -14.074 -0.744 295 H VAL 44 H VAL 44 2.205 -6.834 1.696 296 HA VAL 44 HA VAL 44 0.318 -5.420 3.415 297 HB VAL 44 HB VAL 44 3.241 -4.687 3.229 298 HG11 VAL 44 1HG1 VAL 44 2.585 -2.799 4.745 299 HG12 VAL 44 2HG1 VAL 44 2.004 -2.656 3.084 300 HG13 VAL 44 3HG1 VAL 44 0.902 -3.167 4.365 301 HG21 VAL 44 3HG2 VAL 44 1.645 -5.165 5.726 302 HG22 VAL 44 1HG2 VAL 44 2.434 -6.487 4.865 303 HG23 VAL 44 2HG2 VAL 44 3.396 -5.160 5.516 304 H LEU 45 H LEU 45 -0.562 -3.609 2.491 305 HA LEU 45 HA LEU 45 0.335 -2.986 -0.246 306 HB2 LEU 45 1HB LEU 45 -1.787 -3.977 -0.432 307 HB3 LEU 45 2HB LEU 45 -2.409 -3.098 0.963 308 HG LEU 45 HG LEU 45 -2.093 -0.996 -0.501 309 HD11 LEU 45 1HD1 LEU 45 -2.233 -3.078 -2.673 310 HD12 LEU 45 2HD1 LEU 45 -0.775 -2.186 -2.240 311 HD13 LEU 45 3HD1 LEU 45 -2.179 -1.327 -2.871 312 HD21 LEU 45 3HD2 LEU 45 -4.290 -1.331 -0.130 313 HD22 LEU 45 1HD2 LEU 45 -4.206 -3.048 -0.523 314 HD23 LEU 45 2HD2 LEU 45 -4.283 -1.851 -1.815 315 H SER 46 H SER 46 1.129 -1.017 -0.518 316 HA SER 46 HA SER 46 0.453 1.058 1.455 317 HB2 SER 46 1HB SER 46 2.895 0.277 1.041 318 HB3 SER 46 2HB SER 46 2.781 1.226 -0.441 319 HG SER 46 HG SER 46 3.558 2.586 1.109 320 H VAL 47 H VAL 47 -0.064 3.154 0.773 321 HA VAL 47 HA VAL 47 -0.367 3.699 -2.061 322 HB VAL 47 HB VAL 47 -2.755 3.578 -0.216 323 HG11 VAL 47 1HG1 VAL 47 -3.831 4.223 -2.577 324 HG12 VAL 47 2HG1 VAL 47 -3.356 5.429 -1.378 325 HG13 VAL 47 3HG1 VAL 47 -2.287 5.062 -2.732 326 HG21 VAL 47 3HG2 VAL 47 -3.615 2.098 -2.085 327 HG22 VAL 47 1HG2 VAL 47 -1.960 2.069 -2.693 328 HG23 VAL 47 2HG2 VAL 47 -2.322 1.425 -1.092 329 H LEU 48 H LEU 48 -0.083 5.807 -2.492 330 HA LEU 48 HA LEU 48 0.317 7.612 -0.242 331 HB2 LEU 48 1HB LEU 48 1.937 7.340 -2.183 332 HB3 LEU 48 2HB LEU 48 0.758 8.221 -3.152 333 HG LEU 48 HG LEU 48 0.996 10.147 -1.614 334 HD11 LEU 48 1HD1 LEU 48 3.143 8.432 -0.380 335 HD12 LEU 48 2HD1 LEU 48 1.682 9.038 0.400 336 HD13 LEU 48 3HD1 LEU 48 2.951 10.161 -0.088 337 HD21 LEU 48 3HD2 LEU 48 2.255 10.327 -3.574 338 HD22 LEU 48 1HD2 LEU 48 3.385 9.069 -3.074 339 HD23 LEU 48 2HD2 LEU 48 3.417 10.647 -2.286 340 H SER 49 H SER 49 -1.672 8.260 0.458 341 HA SER 49 HA SER 49 -3.896 8.849 -1.112 342 HB2 SER 49 1HB SER 49 -4.636 10.232 0.875 343 HB3 SER 49 2HB SER 49 -4.187 8.567 1.247 344 HG SER 49 HG SER 49 -1.978 9.792 1.532 345 H ASP 50 H ASP 50 -4.825 10.841 -1.762 346 HA ASP 50 HA ASP 50 -2.902 12.692 -2.823 347 HB2 ASP 50 1HB ASP 50 -4.766 12.197 -4.221 348 HB3 ASP 50 2HB ASP 50 -5.914 12.555 -2.934 349 H GLN 51 H GLN 51 -4.096 12.383 0.180 350 HA GLN 51 HA GLN 51 -4.484 15.238 0.676 351 HB2 GLN 51 1HB GLN 51 -4.818 12.860 2.513 352 HB3 GLN 51 2HB GLN 51 -5.175 14.529 2.939 353 HG2 GLN 51 1HG GLN 51 -6.999 14.630 1.467 354 HG3 GLN 51 2HG GLN 51 -6.509 13.158 0.630 355 HE21 GLN 51 1HE2 GLN 51 -7.199 11.229 1.363 356 HE22 GLN 51 2HE2 GLN 51 -8.203 11.014 2.752 357 HA PRO 52 HA PRO 52 -0.212 15.512 1.903 358 HB2 PRO 52 1HB PRO 52 -0.302 18.124 2.638 359 HB3 PRO 52 2HB PRO 52 -0.234 17.603 0.950 360 HG2 PRO 52 1HG PRO 52 -2.598 18.462 2.575 361 HG3 PRO 52 2HG PRO 52 -2.177 18.879 0.904 362 HD2 PRO 52 1HD PRO 52 -4.016 16.986 1.514 363 HD3 PRO 52 2HD PRO 52 -2.989 16.888 0.069 364 H LYS 53 H LYS 53 0.919 15.493 3.819 365 HA LYS 53 HA LYS 53 -0.365 14.736 6.158 366 HB2 LYS 53 1HB LYS 53 2.385 15.831 5.623 367 HB3 LYS 53 2HB LYS 53 1.872 15.419 7.254 368 HG2 LYS 53 1HG LYS 53 1.347 13.119 6.408 369 HG3 LYS 53 2HG LYS 53 2.121 13.578 4.891 370 HD2 LYS 53 1HD LYS 53 3.906 12.633 5.959 371 HD3 LYS 53 2HD LYS 53 4.075 14.298 6.522 372 HE2 LYS 53 1HE LYS 53 4.235 13.193 8.516 373 HE3 LYS 53 2HE LYS 53 2.491 13.442 8.449 374 HZ1 LYS 53 3HZ LYS 53 3.816 11.040 8.707 375 HZ2 LYS 53 1HZ LYS 53 3.217 11.040 7.125 376 HZ3 LYS 53 2HZ LYS 53 2.162 11.264 8.428 377 H ALA 54 H ALA 54 0.880 17.927 5.231 378 HA ALA 54 HA ALA 54 -0.682 19.082 7.449 379 HB1 ALA 54 1HB ALA 54 1.281 19.874 8.160 380 HB2 ALA 54 2HB ALA 54 2.083 19.510 6.633 381 HB3 ALA 54 3HB ALA 54 1.169 21.007 6.812 382 H GLY 55 H GLY 55 0.601 19.746 4.191 383 HA2 GLY 55 1HA GLY 55 -1.830 20.617 3.122 384 HA3 GLY 55 2HA GLY 55 -0.981 22.036 3.714 385 HA PRO 56 HA PRO 56 0.426 21.589 -0.601 386 HB2 PRO 56 1HB PRO 56 0.833 24.249 -0.960 387 HB3 PRO 56 2HB PRO 56 -0.752 23.487 -1.139 388 HG2 PRO 56 1HG PRO 56 0.367 25.000 1.187 389 HG3 PRO 56 2HG PRO 56 -1.253 25.086 0.473 390 HD2 PRO 56 1HD PRO 56 -0.728 23.683 2.729 391 HD3 PRO 56 2HD PRO 56 -1.971 23.185 1.562 392 H GLY 57 H GLY 57 2.330 20.523 0.268 393 HA2 GLY 57 1HA GLY 57 4.734 21.438 -0.384 394 HA3 GLY 57 2HA GLY 57 4.509 22.244 1.161 395 H SER 58 H SER 58 2.958 19.923 2.201 396 HA SER 58 HA SER 58 5.237 18.431 3.165 397 HB2 SER 58 1HB SER 58 3.605 17.340 4.656 398 HB3 SER 58 2HB SER 58 3.464 19.097 4.725 399 HG SER 58 HG SER 58 1.804 18.585 2.924 400 HA PRO 59 HA PRO 59 4.952 14.927 0.537 401 HB2 PRO 59 1HB PRO 59 5.729 12.949 2.225 402 HB3 PRO 59 2HB PRO 59 6.850 14.151 1.572 403 HG2 PRO 59 1HG PRO 59 5.511 14.064 4.249 404 HG3 PRO 59 2HG PRO 59 7.190 14.472 3.851 405 HD2 PRO 59 1HD PRO 59 5.314 16.357 4.361 406 HD3 PRO 59 2HD PRO 59 6.650 16.624 3.223 407 H LEU 60 H LEU 60 3.035 14.186 -0.129 408 HA LEU 60 HA LEU 60 0.702 13.824 1.099 409 HB2 LEU 60 1HB LEU 60 1.982 12.044 -0.955 410 HB3 LEU 60 2HB LEU 60 0.318 11.813 -0.420 411 HG LEU 60 HG LEU 60 1.404 14.280 -1.776 412 HD11 LEU 60 1HD1 LEU 60 -0.161 11.920 -2.759 413 HD12 LEU 60 2HD1 LEU 60 1.301 12.639 -3.432 414 HD13 LEU 60 3HD1 LEU 60 -0.241 13.485 -3.567 415 HD21 LEU 60 3HD2 LEU 60 -0.383 14.836 -0.243 416 HD22 LEU 60 1HD2 LEU 60 -1.388 13.547 -0.904 417 HD23 LEU 60 2HD2 LEU 60 -0.968 14.937 -1.904 418 H ARG 61 H ARG 61 -0.406 12.266 2.287 419 HA ARG 61 HA ARG 61 1.184 10.797 4.149 420 HB2 ARG 61 1HB ARG 61 -1.193 11.915 4.403 421 HB3 ARG 61 2HB ARG 61 -1.756 10.338 3.866 422 HG2 ARG 61 1HG ARG 61 -1.093 9.291 5.780 423 HG3 ARG 61 2HG ARG 61 0.218 10.435 6.082 424 HD2 ARG 61 1HD ARG 61 -1.166 11.963 7.092 425 HD3 ARG 61 2HD ARG 61 -2.590 11.415 6.209 426 HE ARG 61 HE ARG 61 -1.620 10.417 8.721 427 HH11 ARG 61 2HH1 ARG 61 -3.493 9.679 5.882 428 HH12 ARG 61 1HH1 ARG 61 -4.441 8.457 6.665 429 HH21 ARG 61 2HH2 ARG 61 -2.860 8.812 9.764 430 HH22 ARG 61 1HH2 ARG 61 -4.080 7.966 8.874 431 H VAL 62 H VAL 62 1.321 8.565 4.439 432 HA VAL 62 HA VAL 62 0.650 6.977 2.050 433 HB VAL 62 HB VAL 62 2.836 6.464 4.072 434 HG11 VAL 62 1HG1 VAL 62 2.014 4.395 3.159 435 HG12 VAL 62 2HG1 VAL 62 2.095 5.040 1.518 436 HG13 VAL 62 3HG1 VAL 62 3.579 4.758 2.432 437 HG21 VAL 62 3HG2 VAL 62 4.153 7.794 2.877 438 HG22 VAL 62 1HG2 VAL 62 3.779 6.889 1.410 439 HG23 VAL 62 2HG2 VAL 62 2.766 8.251 1.889 440 H THR 63 H THR 63 -0.973 5.610 2.324 441 HA THR 63 HA THR 63 -1.784 4.809 4.998 442 HB THR 63 HB THR 63 -3.058 4.274 2.309 443 HG1 THR 63 1HG THR 63 -4.265 6.004 2.740 444 HG21 THR 63 3HG2 THR 63 -4.339 3.859 4.996 445 HG22 THR 63 1HG2 THR 63 -3.470 2.566 4.172 446 HG23 THR 63 2HG2 THR 63 -4.886 3.297 3.418 447 H HIS 64 H HIS 64 -0.758 3.128 5.869 448 HA HIS 64 HA HIS 64 0.107 0.920 4.148 449 HB2 HIS 64 1HB HIS 64 0.770 1.373 7.061 450 HB3 HIS 64 2HB HIS 64 1.551 0.247 5.954 451 HD1 HIS 64 1HD HIS 64 2.908 1.438 3.929 452 HD2 HIS 64 2HD HIS 64 1.942 3.824 7.190 453 HE1 HIS 64 1HE HIS 64 4.416 3.444 3.765 454 HE2 HIS 64 2HE HIS 64 3.874 4.831 5.795 455 H ILE 65 H ILE 65 -1.385 -0.610 3.888 456 HA ILE 65 HA ILE 65 -3.026 -1.378 6.211 457 HB ILE 65 HB ILE 65 -3.617 -1.820 3.281 458 HG12 ILE 65 1HG1 ILE 65 -5.249 -0.066 5.069 459 HG13 ILE 65 2HG1 ILE 65 -3.742 0.567 4.413 460 HG21 ILE 65 1HG2 ILE 65 -5.551 -2.901 3.870 461 HG22 ILE 65 2HG2 ILE 65 -4.476 -3.434 5.160 462 HG23 ILE 65 3HG2 ILE 65 -5.628 -2.132 5.456 463 HD11 ILE 65 3HD1 ILE 65 -4.668 0.929 2.434 464 HD12 ILE 65 1HD1 ILE 65 -5.338 -0.701 2.369 465 HD13 ILE 65 2HD1 ILE 65 -6.222 0.584 3.193 466 H LYS 66 H LYS 66 -2.776 -3.344 7.049 467 HA LYS 66 HA LYS 66 -0.776 -5.113 6.040 468 HB2 LYS 66 1HB LYS 66 -2.739 -5.249 8.315 469 HB3 LYS 66 2HB LYS 66 -1.741 -6.635 7.894 470 HG2 LYS 66 1HG LYS 66 0.253 -5.477 8.403 471 HG3 LYS 66 2HG LYS 66 -0.586 -3.926 8.490 472 HD2 LYS 66 1HD LYS 66 -1.404 -6.135 10.324 473 HD3 LYS 66 2HD LYS 66 0.063 -5.217 10.677 474 HE2 LYS 66 1HE LYS 66 -1.531 -4.012 11.827 475 HE3 LYS 66 2HE LYS 66 -1.472 -3.147 10.292 476 HZ1 LYS 66 3HZ LYS 66 -3.562 -3.712 9.821 477 HZ2 LYS 66 1HZ LYS 66 -3.712 -4.114 11.457 478 HZ3 LYS 66 2HZ LYS 66 -3.361 -5.315 10.319 479 H VAL 67 H VAL 67 -0.965 -6.918 4.838 480 HA VAL 67 HA VAL 67 -3.671 -7.649 3.934 481 HB VAL 67 HB VAL 67 -1.045 -8.162 2.533 482 HG11 VAL 67 1HG1 VAL 67 -2.167 -9.548 1.213 483 HG12 VAL 67 2HG1 VAL 67 -3.605 -9.322 2.210 484 HG13 VAL 67 3HG1 VAL 67 -3.319 -8.270 0.824 485 HG21 VAL 67 3HG2 VAL 67 -1.811 -5.742 2.721 486 HG22 VAL 67 1HG2 VAL 67 -1.515 -6.360 1.096 487 HG23 VAL 67 2HG2 VAL 67 -3.168 -6.207 1.694 488 H MET 68 H MET 68 -4.210 -9.170 5.468 489 HA MET 68 HA MET 68 -2.433 -11.253 6.276 490 HB2 MET 68 1HB MET 68 -5.383 -10.780 6.652 491 HB3 MET 68 2HB MET 68 -4.598 -12.245 7.227 492 HG2 MET 68 1HG MET 68 -3.387 -11.129 8.836 493 HG3 MET 68 2HG MET 68 -3.501 -9.583 7.998 494 HE1 MET 68 3HE MET 68 -7.089 -8.391 8.761 495 HE2 MET 68 1HE MET 68 -5.459 -7.818 8.409 496 HE3 MET 68 2HE MET 68 -6.245 -8.963 7.322 497 H CYS 69 H CYS 69 -3.024 -13.589 6.029 498 HA CYS 69 HA CYS 69 -4.074 -14.118 3.326 499 HB2 CYS 69 1HB CYS 69 -1.690 -14.439 3.263 500 HB3 CYS 69 2HB CYS 69 -1.729 -15.402 4.735 501 HG CYS 69 HG CYS 69 -1.938 -17.662 3.552 502 H GLU 70 H GLU 70 -5.730 -15.485 3.232 503 HA GLU 70 HA GLU 70 -6.130 -17.369 5.459 504 HB2 GLU 70 1HB GLU 70 -8.345 -15.870 4.055 505 HB3 GLU 70 2HB GLU 70 -8.507 -16.954 5.429 506 HG2 GLU 70 1HG GLU 70 -6.886 -14.434 5.557 507 HG3 GLU 70 2HG GLU 70 -8.614 -14.471 5.903 508 H GLY 71 H GLY 71 -6.091 -19.389 4.745 509 HA2 GLY 71 1HA GLY 71 -6.368 -21.231 3.404 510 HA3 GLY 71 2HA GLY 71 -7.703 -20.363 2.660 511 H GLY 72 H GLY 72 -4.464 -19.070 2.638 512 HA2 GLY 72 1HA GLY 72 -2.835 -19.217 0.934 513 HA3 GLY 72 2HA GLY 72 -4.013 -20.026 -0.089 514 H ARG 73 H ARG 73 -5.970 -17.819 0.770 515 HA ARG 73 HA ARG 73 -5.272 -16.029 -1.410 516 HB2 ARG 73 1HB ARG 73 -7.758 -16.210 0.302 517 HB3 ARG 73 2HB ARG 73 -7.554 -15.117 -1.061 518 HG2 ARG 73 1HG ARG 73 -8.663 -16.797 -2.102 519 HG3 ARG 73 2HG ARG 73 -7.011 -17.378 -2.323 520 HD2 ARG 73 1HD ARG 73 -7.272 -18.739 -0.265 521 HD3 ARG 73 2HD ARG 73 -8.957 -18.228 -0.183 522 HE ARG 73 HE ARG 73 -9.455 -19.652 -1.929 523 HH11 ARG 73 2HH1 ARG 73 -6.007 -19.438 -1.500 524 HH12 ARG 73 1HH1 ARG 73 -5.661 -20.770 -2.554 525 HH21 ARG 73 2HH2 ARG 73 -9.014 -21.407 -3.318 526 HH22 ARG 73 1HH2 ARG 73 -7.373 -21.889 -3.587 527 H TYR 74 H TYR 74 -6.182 -13.642 -0.871 528 HA TYR 74 HA TYR 74 -4.804 -12.792 1.593 529 HB2 TYR 74 1HB TYR 74 -4.923 -11.342 -1.061 530 HB3 TYR 74 2HB TYR 74 -4.163 -10.729 0.403 531 HD1 TYR 74 1HD TYR 74 -2.589 -12.834 1.454 532 HD2 TYR 74 2HD TYR 74 -3.342 -11.916 -2.632 533 HE1 TYR 74 1HE TYR 74 -0.482 -13.935 0.824 534 HE2 TYR 74 2HE TYR 74 -1.238 -13.017 -3.273 535 HH TYR 74 HH TYR 74 0.394 -14.444 -2.533 536 H THR 75 H THR 75 -5.733 -11.174 2.811 537 HA THR 75 HA THR 75 -8.258 -10.015 1.902 538 HB THR 75 HB THR 75 -8.899 -12.037 3.148 539 HG1 THR 75 1HG THR 75 -9.490 -9.869 4.856 540 HG21 THR 75 3HG2 THR 75 -8.395 -12.310 5.481 541 HG22 THR 75 1HG2 THR 75 -7.572 -10.752 5.535 542 HG23 THR 75 2HG2 THR 75 -6.876 -12.085 4.614 543 H VAL 76 H VAL 76 -9.061 -8.364 3.553 544 HA VAL 76 HA VAL 76 -6.825 -7.074 4.958 545 HB VAL 76 HB VAL 76 -7.750 -4.851 4.183 546 HG11 VAL 76 1HG1 VAL 76 -6.867 -5.787 1.655 547 HG12 VAL 76 2HG1 VAL 76 -5.950 -4.915 2.886 548 HG13 VAL 76 3HG1 VAL 76 -5.993 -6.679 2.901 549 HG21 VAL 76 3HG2 VAL 76 -9.835 -6.281 3.237 550 HG22 VAL 76 1HG2 VAL 76 -9.390 -4.680 2.645 551 HG23 VAL 76 2HG2 VAL 76 -8.868 -6.120 1.772 552 H GLY 77 H GLY 77 -7.699 -7.770 6.931 553 HA2 GLY 77 1HA GLY 77 -9.040 -7.657 8.792 554 HA3 GLY 77 2HA GLY 77 -9.385 -6.019 8.259 555 H GLY 78 H GLY 78 -10.231 -8.575 6.116 556 HA2 GLY 78 1HA GLY 78 -13.030 -8.454 7.038 557 HA3 GLY 78 2HA GLY 78 -12.632 -8.199 5.345 558 H LEU 79 H LEU 79 -14.406 -10.162 6.066 559 HA LEU 79 HA LEU 79 -13.100 -12.702 6.324 560 HB2 LEU 79 1HB LEU 79 -15.912 -11.800 5.856 561 HB3 LEU 79 2HB LEU 79 -15.481 -13.495 5.638 562 HG LEU 79 HG LEU 79 -14.891 -12.067 8.210 563 HD11 LEU 79 1HD1 LEU 79 -17.505 -13.071 7.200 564 HD12 LEU 79 2HD1 LEU 79 -17.147 -11.684 8.228 565 HD13 LEU 79 3HD1 LEU 79 -17.098 -13.314 8.899 566 HD21 LEU 79 3HD2 LEU 79 -13.799 -14.137 8.094 567 HD22 LEU 79 1HD2 LEU 79 -15.177 -14.921 7.322 568 HD23 LEU 79 2HD2 LEU 79 -15.264 -14.460 9.023 569 H GLU 80 H GLU 80 -13.745 -10.596 3.740 570 HA GLU 80 HA GLU 80 -14.099 -12.472 1.648 571 HB2 GLU 80 1HB GLU 80 -13.412 -9.577 1.822 572 HB3 GLU 80 2HB GLU 80 -13.093 -10.409 0.306 573 HG2 GLU 80 1HG GLU 80 -15.300 -10.719 -0.157 574 HG3 GLU 80 2HG GLU 80 -15.767 -10.749 1.543 575 H THR 81 H THR 81 -12.486 -12.633 -0.198 576 HA THR 81 HA THR 81 -9.695 -12.549 0.595 577 HB THR 81 HB THR 81 -9.261 -14.903 0.101 578 HG1 THR 81 1HG THR 81 -11.326 -15.008 -1.227 579 HG21 THR 81 3HG2 THR 81 -9.851 -14.135 2.429 580 HG22 THR 81 1HG2 THR 81 -10.114 -15.850 2.115 581 HG23 THR 81 2HG2 THR 81 -11.482 -14.737 2.134 582 H PHE 82 H PHE 82 -8.232 -12.985 -1.189 583 HA PHE 82 HA PHE 82 -9.483 -12.871 -3.842 584 HB2 PHE 82 1HB PHE 82 -7.210 -11.085 -2.950 585 HB3 PHE 82 2HB PHE 82 -7.948 -11.111 -4.548 586 HD1 PHE 82 2HD PHE 82 -8.447 -10.196 -1.024 587 HD2 PHE 82 1HD PHE 82 -10.011 -10.002 -4.978 588 HE1 PHE 82 2HE PHE 82 -10.071 -8.496 -0.296 589 HE2 PHE 82 1HE PHE 82 -11.636 -8.302 -4.257 590 HZ PHE 82 HZ PHE 82 -11.668 -7.548 -1.913 591 H ASP 83 H ASP 83 -8.555 -14.162 -5.310 592 HA ASP 83 HA ASP 83 -6.958 -16.243 -4.849 593 HB2 ASP 83 1HB ASP 83 -6.798 -14.500 -7.318 594 HB3 ASP 83 2HB ASP 83 -6.201 -16.155 -7.208 595 H SER 84 H SER 84 -5.763 -12.978 -5.526 596 HA SER 84 HA SER 84 -3.410 -13.399 -3.974 597 HB2 SER 84 1HB SER 84 -3.251 -13.621 -6.949 598 HB3 SER 84 2HB SER 84 -1.936 -12.812 -6.098 599 HG SER 84 HG SER 84 -1.944 -15.261 -6.448 600 H LEU 85 H LEU 85 -1.814 -11.460 -4.442 601 HA LEU 85 HA LEU 85 -2.980 -9.127 -3.662 602 HB2 LEU 85 1HB LEU 85 -0.460 -9.772 -5.089 603 HB3 LEU 85 2HB LEU 85 -0.944 -8.079 -5.014 604 HG LEU 85 HG LEU 85 0.620 -8.570 -3.242 605 HD11 LEU 85 1HD1 LEU 85 -1.692 -8.441 -1.511 606 HD12 LEU 85 2HD1 LEU 85 -1.866 -7.387 -2.913 607 HD13 LEU 85 3HD1 LEU 85 -0.467 -7.219 -1.853 608 HD21 LEU 85 3HD2 LEU 85 -0.264 -11.059 -3.203 609 HD22 LEU 85 1HD2 LEU 85 -1.268 -10.430 -1.897 610 HD23 LEU 85 2HD2 LEU 85 0.489 -10.324 -1.787 611 H THR 86 H THR 86 -2.809 -10.422 -6.889 612 HA THR 86 HA THR 86 -3.447 -8.055 -8.305 613 HB THR 86 HB THR 86 -3.969 -10.929 -9.089 614 HG1 THR 86 1HG THR 86 -1.986 -10.371 -10.396 615 HG21 THR 86 3HG2 THR 86 -3.801 -9.889 -11.424 616 HG22 THR 86 1HG2 THR 86 -4.075 -8.344 -10.621 617 HG23 THR 86 2HG2 THR 86 -5.292 -9.616 -10.523 618 H ASP 87 H ASP 87 -5.501 -10.844 -7.442 619 HA ASP 87 HA ASP 87 -7.922 -9.719 -8.283 620 HB2 ASP 87 1HB ASP 87 -7.141 -11.957 -6.481 621 HB3 ASP 87 2HB ASP 87 -8.800 -11.376 -6.382 622 H LEU 88 H LEU 88 -6.092 -9.317 -5.347 623 HA LEU 88 HA LEU 88 -8.228 -8.110 -3.857 624 HB2 LEU 88 1HB LEU 88 -6.255 -9.312 -2.870 625 HB3 LEU 88 2HB LEU 88 -5.270 -7.923 -3.326 626 HG LEU 88 HG LEU 88 -7.663 -7.468 -1.610 627 HD11 LEU 88 1HD1 LEU 88 -6.847 -8.415 0.254 628 HD12 LEU 88 2HD1 LEU 88 -5.175 -8.033 -0.159 629 HD13 LEU 88 3HD1 LEU 88 -5.959 -9.443 -0.872 630 HD21 LEU 88 3HD2 LEU 88 -6.426 -5.627 -0.824 631 HD22 LEU 88 1HD2 LEU 88 -6.143 -5.671 -2.564 632 HD23 LEU 88 2HD2 LEU 88 -4.909 -6.271 -1.456 633 H VAL 89 H VAL 89 -5.116 -6.762 -4.970 634 HA VAL 89 HA VAL 89 -5.715 -4.089 -4.585 635 HB VAL 89 HB VAL 89 -3.976 -5.275 -6.754 636 HG11 VAL 89 1HG1 VAL 89 -4.793 -2.760 -6.791 637 HG12 VAL 89 2HG1 VAL 89 -3.500 -2.576 -5.605 638 HG13 VAL 89 3HG1 VAL 89 -3.139 -3.202 -7.213 639 HG21 VAL 89 3HG2 VAL 89 -2.411 -5.661 -5.210 640 HG22 VAL 89 1HG2 VAL 89 -2.647 -4.078 -4.468 641 HG23 VAL 89 2HG2 VAL 89 -3.680 -5.432 -4.006 642 H GLU 90 H GLU 90 -5.920 -5.860 -7.680 643 HA GLU 90 HA GLU 90 -6.975 -3.935 -9.290 644 HB2 GLU 90 1HB GLU 90 -7.594 -6.882 -9.178 645 HB3 GLU 90 2HB GLU 90 -8.221 -5.837 -10.444 646 HG2 GLU 90 1HG GLU 90 -5.716 -5.184 -10.751 647 HG3 GLU 90 2HG GLU 90 -5.422 -6.712 -9.925 648 H HIS 91 H HIS 91 -8.946 -6.236 -7.404 649 HA HIS 91 HA HIS 91 -11.433 -5.140 -7.948 650 HB2 HIS 91 1HB HIS 91 -11.400 -7.241 -6.873 651 HB3 HIS 91 2HB HIS 91 -10.380 -6.650 -5.564 652 HD1 HIS 91 1HD HIS 91 -13.889 -7.093 -6.556 653 HD2 HIS 91 2HD HIS 91 -11.773 -4.988 -3.665 654 HE1 HIS 91 1HE HIS 91 -15.596 -6.402 -4.844 655 HE2 HIS 91 2HE HIS 91 -14.308 -5.057 -3.149 656 H PHE 92 H PHE 92 -8.904 -3.930 -5.957 657 HA PHE 92 HA PHE 92 -10.674 -2.084 -4.553 658 HB2 PHE 92 1HB PHE 92 -7.874 -3.007 -4.211 659 HB3 PHE 92 2HB PHE 92 -8.230 -1.358 -3.704 660 HD1 PHE 92 2HD PHE 92 -10.869 -1.511 -2.574 661 HD2 PHE 92 1HD PHE 92 -7.673 -4.311 -2.330 662 HE1 PHE 92 2HE PHE 92 -11.780 -2.361 -0.453 663 HE2 PHE 92 1HE PHE 92 -8.578 -5.165 -0.208 664 HZ PHE 92 HZ PHE 92 -10.634 -4.189 0.734 665 H LYS 93 H LYS 93 -8.594 -2.199 -7.277 666 HA LYS 93 HA LYS 93 -7.966 0.579 -7.422 667 HB2 LYS 93 1HB LYS 93 -7.986 -1.517 -9.601 668 HB3 LYS 93 2HB LYS 93 -7.248 0.075 -9.722 669 HG2 LYS 93 1HG LYS 93 -5.951 -0.750 -7.578 670 HG3 LYS 93 2HG LYS 93 -6.340 -2.336 -8.249 671 HD2 LYS 93 1HD LYS 93 -5.129 -0.195 -9.962 672 HD3 LYS 93 2HD LYS 93 -4.117 -1.206 -8.928 673 HE2 LYS 93 1HE LYS 93 -4.975 -3.205 -10.022 674 HE3 LYS 93 2HE LYS 93 -6.037 -2.218 -11.025 675 HZ1 LYS 93 3HZ LYS 93 -3.210 -1.547 -11.109 676 HZ2 LYS 93 1HZ LYS 93 -4.350 -1.599 -12.358 677 HZ3 LYS 93 2HZ LYS 93 -3.637 -3.028 -11.805 678 H LYS 94 H LYS 94 -10.781 -1.206 -8.035 679 HA LYS 94 HA LYS 94 -11.864 0.894 -9.786 680 HB2 LYS 94 1HB LYS 94 -13.699 -0.754 -10.226 681 HB3 LYS 94 2HB LYS 94 -12.108 -1.279 -10.763 682 HG2 LYS 94 1HG LYS 94 -11.919 -2.596 -8.648 683 HG3 LYS 94 2HG LYS 94 -13.604 -2.188 -8.316 684 HD2 LYS 94 1HD LYS 94 -13.975 -3.127 -10.741 685 HD3 LYS 94 2HD LYS 94 -12.451 -3.960 -10.423 686 HE2 LYS 94 1HE LYS 94 -13.631 -4.611 -8.177 687 HE3 LYS 94 2HE LYS 94 -15.103 -4.259 -9.082 688 HZ1 LYS 94 3HZ LYS 94 -13.599 -5.819 -10.759 689 HZ2 LYS 94 1HZ LYS 94 -14.946 -6.315 -9.864 690 HZ3 LYS 94 2HZ LYS 94 -13.390 -6.530 -9.238 691 H THR 95 H THR 95 -12.388 -0.842 -6.772 692 HA THR 95 HA THR 95 -14.732 0.795 -6.169 693 HB THR 95 HB THR 95 -15.042 -0.640 -4.220 694 HG1 THR 95 1HG THR 95 -12.823 -2.188 -5.064 695 HG21 THR 95 3HG2 THR 95 -16.164 -1.880 -5.702 696 HG22 THR 95 1HG2 THR 95 -14.740 -2.914 -5.790 697 HG23 THR 95 2HG2 THR 95 -14.952 -1.605 -6.953 698 H GLY 96 H GLY 96 -11.813 -0.216 -4.369 699 HA2 GLY 96 1HA GLY 96 -10.283 1.466 -3.505 700 HA3 GLY 96 2HA GLY 96 -11.667 2.528 -3.291 701 H ILE 97 H ILE 97 -9.782 1.922 -1.274 702 HA ILE 97 HA ILE 97 -11.227 0.118 0.528 703 HB ILE 97 HB ILE 97 -8.490 1.370 0.791 704 HG12 ILE 97 1HG1 ILE 97 -9.004 -1.570 0.641 705 HG13 ILE 97 2HG1 ILE 97 -9.074 -0.629 -0.846 706 HG21 ILE 97 1HG2 ILE 97 -8.212 0.025 2.785 707 HG22 ILE 97 2HG2 ILE 97 -9.609 1.084 2.966 708 HG23 ILE 97 3HG2 ILE 97 -9.840 -0.626 2.603 709 HD11 ILE 97 3HD1 ILE 97 -6.741 0.238 0.256 710 HD12 ILE 97 1HD1 ILE 97 -6.778 -1.453 0.754 711 HD13 ILE 97 2HD1 ILE 97 -6.886 -1.032 -0.956 712 H GLU 98 H GLU 98 -11.956 0.767 2.551 713 HA GLU 98 HA GLU 98 -12.080 3.682 2.966 714 HB2 GLU 98 1HB GLU 98 -14.276 2.956 2.404 715 HB3 GLU 98 2HB GLU 98 -14.161 1.559 3.464 716 HG2 GLU 98 1HG GLU 98 -14.342 2.887 5.402 717 HG3 GLU 98 2HG GLU 98 -14.081 4.376 4.495 718 H GLU 99 H GLU 99 -10.793 4.226 4.596 719 HA GLU 99 HA GLU 99 -10.080 2.363 6.665 720 HB2 GLU 99 1HB GLU 99 -9.467 5.314 6.420 721 HB3 GLU 99 2HB GLU 99 -8.714 4.198 7.551 722 HG2 GLU 99 1HG GLU 99 -7.526 3.107 5.880 723 HG3 GLU 99 2HG GLU 99 -8.579 3.715 4.603 724 H ALA 100 H ALA 100 -10.793 2.266 8.731 725 HA ALA 100 HA ALA 100 -13.305 2.961 9.481 726 HB1 ALA 100 1HB ALA 100 -11.679 3.219 11.807 727 HB2 ALA 100 2HB ALA 100 -12.697 1.867 11.310 728 HB3 ALA 100 3HB ALA 100 -11.015 1.945 10.784 729 H SER 101 H SER 101 -10.400 4.856 10.323 730 HA SER 101 HA SER 101 -11.387 6.936 11.690 731 HB2 SER 101 1HB SER 101 -9.017 6.556 10.621 732 HB3 SER 101 2HB SER 101 -9.634 7.619 9.356 733 HG SER 101 HG SER 101 -9.973 8.412 12.011 734 H GLY 102 H GLY 102 -11.534 6.683 8.142 735 HA2 GLY 102 1HA GLY 102 -13.882 7.384 7.367 736 HA3 GLY 102 2HA GLY 102 -13.463 8.909 8.133 737 H ALA 103 H ALA 103 -11.118 6.970 6.415 738 HA ALA 103 HA ALA 103 -11.037 9.043 4.322 739 HB1 ALA 103 1HB ALA 103 -8.886 7.599 5.780 740 HB2 ALA 103 2HB ALA 103 -8.598 8.061 4.102 741 HB3 ALA 103 3HB ALA 103 -8.989 9.294 5.301 742 H PHE 104 H PHE 104 -10.454 8.365 2.177 743 HA PHE 104 HA PHE 104 -11.014 5.522 1.644 744 HB2 PHE 104 1HB PHE 104 -12.222 7.972 0.475 745 HB3 PHE 104 2HB PHE 104 -11.892 6.642 -0.630 746 HD1 PHE 104 1HD PHE 104 -13.811 7.695 2.317 747 HD2 PHE 104 2HD PHE 104 -13.159 4.619 -0.552 748 HE1 PHE 104 1HE PHE 104 -15.892 6.595 3.030 749 HE2 PHE 104 2HE PHE 104 -15.240 3.515 0.155 750 HZ PHE 104 HZ PHE 104 -16.610 4.502 1.947 751 H VAL 105 H VAL 105 -9.310 4.557 0.786 752 HA VAL 105 HA VAL 105 -7.234 6.118 -0.517 753 HB VAL 105 HB VAL 105 -7.354 3.167 0.122 754 HG11 VAL 105 1HG1 VAL 105 -5.361 4.848 -1.294 755 HG12 VAL 105 2HG1 VAL 105 -4.757 3.609 -0.192 756 HG13 VAL 105 3HG1 VAL 105 -5.800 3.159 -1.543 757 HG21 VAL 105 3HG2 VAL 105 -7.126 5.188 1.902 758 HG22 VAL 105 1HG2 VAL 105 -6.393 3.598 2.115 759 HG23 VAL 105 2HG2 VAL 105 -5.431 4.934 1.484 760 H TYR 106 H TYR 106 -6.737 6.078 -2.647 761 HA TYR 106 HA TYR 106 -8.392 4.367 -4.384 762 HB2 TYR 106 1HB TYR 106 -7.412 7.171 -4.959 763 HB3 TYR 106 2HB TYR 106 -8.349 6.166 -6.058 764 HD1 TYR 106 1HD TYR 106 -10.219 5.023 -3.902 765 HD2 TYR 106 2HD TYR 106 -8.957 8.983 -4.814 766 HE1 TYR 106 1HE TYR 106 -12.302 5.904 -2.935 767 HE2 TYR 106 2HE TYR 106 -11.036 9.874 -3.849 768 HH TYR 106 HH TYR 106 -13.613 7.737 -2.746 769 H LEU 107 H LEU 107 -7.417 3.394 -6.131 770 HA LEU 107 HA LEU 107 -4.490 3.690 -6.312 771 HB2 LEU 107 1HB LEU 107 -6.011 1.155 -6.862 772 HB3 LEU 107 2HB LEU 107 -4.267 1.360 -6.724 773 HG LEU 107 HG LEU 107 -4.928 2.104 -4.263 774 HD11 LEU 107 1HD1 LEU 107 -6.777 0.111 -3.864 775 HD12 LEU 107 2HD1 LEU 107 -7.345 0.891 -5.339 776 HD13 LEU 107 3HD1 LEU 107 -7.107 1.844 -3.874 777 HD21 LEU 107 3HD2 LEU 107 -3.778 -0.106 -5.444 778 HD22 LEU 107 1HD2 LEU 107 -5.051 -0.796 -4.437 779 HD23 LEU 107 2HD2 LEU 107 -3.824 0.244 -3.715 780 H ARG 108 H ARG 108 -4.496 5.089 -8.047 781 HA ARG 108 HA ARG 108 -5.973 4.394 -10.451 782 HB2 ARG 108 1HB ARG 108 -4.077 6.697 -9.969 783 HB3 ARG 108 2HB ARG 108 -5.178 6.518 -11.328 784 HG2 ARG 108 1HG ARG 108 -7.000 6.417 -9.456 785 HG3 ARG 108 2HG ARG 108 -5.761 7.227 -8.496 786 HD2 ARG 108 1HD ARG 108 -6.971 8.988 -9.420 787 HD3 ARG 108 2HD ARG 108 -5.572 8.845 -10.483 788 HE ARG 108 HE ARG 108 -7.009 8.384 -12.185 789 HH11 ARG 108 2HH1 ARG 108 -8.580 7.595 -9.180 790 HH12 ARG 108 1HH1 ARG 108 -10.087 7.179 -9.926 791 HH21 ARG 108 2HH2 ARG 108 -8.988 7.838 -13.179 792 HH22 ARG 108 1HH2 ARG 108 -10.317 7.316 -12.201 793 H GLN 109 H GLN 109 -2.580 4.870 -9.497 794 HA GLN 109 HA GLN 109 -1.794 2.971 -11.580 795 HB2 GLN 109 1HB GLN 109 0.006 4.386 -12.365 796 HB3 GLN 109 2HB GLN 109 -1.521 5.245 -12.518 797 HG2 GLN 109 1HG GLN 109 0.124 5.640 -10.068 798 HG3 GLN 109 2HG GLN 109 0.602 6.433 -11.569 799 HE21 GLN 109 1HE2 GLN 109 -0.149 7.813 -9.267 800 HE22 GLN 109 2HE2 GLN 109 -1.621 8.660 -9.586 801 HA PRO 110 HA PRO 110 0.714 1.330 -8.358 802 HB2 PRO 110 1HB PRO 110 2.500 -0.053 -9.864 803 HB3 PRO 110 2HB PRO 110 0.830 -0.582 -9.627 804 HG2 PRO 110 1HG PRO 110 2.046 0.873 -11.945 805 HG3 PRO 110 2HG PRO 110 0.897 -0.477 -11.949 806 HD2 PRO 110 1HD PRO 110 0.129 2.089 -12.343 807 HD3 PRO 110 2HD PRO 110 -0.911 0.894 -11.543 808 H TYR 111 H TYR 111 3.354 0.823 -8.319 809 HA TYR 111 HA TYR 111 4.688 3.362 -8.966 810 HB2 TYR 111 1HB TYR 111 4.077 3.435 -6.602 811 HB3 TYR 111 2HB TYR 111 4.858 1.881 -6.333 812 HD1 TYR 111 1HD TYR 111 5.566 5.367 -7.434 813 HD2 TYR 111 2HD TYR 111 7.105 1.793 -5.711 814 HE1 TYR 111 1HE TYR 111 7.680 6.523 -6.938 815 HE2 TYR 111 2HE TYR 111 9.222 2.940 -5.210 816 HH TYR 111 HH TYR 111 10.203 5.674 -6.587 817 H TYR 112 H TYR 112 6.248 2.882 -10.355 818 HA TYR 112 HA TYR 112 7.594 0.292 -10.188 819 HB2 TYR 112 1HB TYR 112 8.027 2.352 -12.339 820 HB3 TYR 112 2HB TYR 112 8.277 0.612 -12.421 821 HD1 TYR 112 1HD TYR 112 5.922 -0.678 -11.704 822 HD2 TYR 112 2HD TYR 112 6.292 3.085 -13.655 823 HE1 TYR 112 1HE TYR 112 3.673 -0.959 -12.660 824 HE2 TYR 112 2HE TYR 112 4.044 2.815 -14.616 825 HH TYR 112 HH TYR 112 2.123 1.615 -14.498 826 H SER 113 H SER 113 9.458 0.131 -9.152 827 HA SER 113 HA SER 113 10.889 2.407 -8.213 828 HB2 SER 113 1HB SER 113 12.176 0.914 -6.998 829 HB3 SER 113 2HB SER 113 10.713 -0.039 -7.244 830 HG SER 113 HG SER 113 11.738 -1.103 -8.940 831 H GLY 114 H GLY 114 11.599 -0.080 -10.657 832 HA2 GLY 114 1HA GLY 114 12.930 0.010 -12.531 833 HA3 GLY 114 2HA GLY 114 12.974 1.755 -12.335 834 HA PRO 115 HA PRO 115 16.625 -0.134 -9.742 835 HB2 PRO 115 1HB PRO 115 17.307 -2.679 -10.397 836 HB3 PRO 115 2HB PRO 115 16.149 -2.293 -9.118 837 HG2 PRO 115 1HG PRO 115 15.639 -3.138 -11.944 838 HG3 PRO 115 2HG PRO 115 14.834 -3.667 -10.455 839 HD2 PRO 115 1HD PRO 115 13.751 -1.830 -12.123 840 HD3 PRO 115 2HD PRO 115 13.491 -1.797 -10.367 841 H SER 116 H SER 116 18.034 1.157 -10.810 842 HA SER 116 HA SER 116 18.956 0.366 -13.475 843 HB2 SER 116 1HB SER 116 18.346 2.656 -13.425 844 HB3 SER 116 2HB SER 116 19.176 2.926 -11.894 845 HG SER 116 HG SER 116 21.144 2.668 -12.965 846 H SER 117 H SER 117 20.331 1.421 -10.361 847 HA SER 117 HA SER 117 22.882 0.193 -11.114 848 HB2 SER 117 1HB SER 117 22.798 2.564 -10.242 849 HB3 SER 117 2HB SER 117 22.309 1.897 -8.684 850 HG SER 117 HG SER 117 24.771 1.769 -9.990 851 H GLY 118 H GLY 118 22.632 -1.969 -10.749 852 HA2 GLY 118 1HA GLY 118 21.614 -2.827 -8.132 853 HA3 GLY 118 2HA GLY 118 21.819 -3.855 -9.543 854 H1 MET 1 H MET 1 15.350 3.100 23.278 855 HA MET 1 HA MET 1 13.917 1.011 21.782 856 HB2 MET 1 1HB MET 1 12.536 2.681 23.016 857 HB3 MET 1 2HB MET 1 13.234 3.946 22.014 858 HG2 MET 1 1HG MET 1 11.266 3.555 20.924 859 HG3 MET 1 2HG MET 1 12.356 2.483 20.048 860 HE1 MET 1 3HE MET 1 9.773 3.007 22.638 861 HE2 MET 1 1HE MET 1 8.882 1.490 22.764 862 HE3 MET 1 2HE MET 1 10.366 1.719 23.688 863 H ASP 2 H ASP 2 15.093 0.518 20.027 864 HA ASP 2 HA ASP 2 16.243 2.715 18.448 865 HB2 ASP 2 1HB ASP 2 17.405 0.658 17.297 866 HB3 ASP 2 2HB ASP 2 18.006 1.273 18.834 867 H ASN 3 H ASN 3 14.883 -0.517 17.776 868 HA ASN 3 HA ASN 3 14.209 -0.146 15.144 869 HB2 ASN 3 1HB ASN 3 13.995 -2.250 16.631 870 HB3 ASN 3 2HB ASN 3 12.380 -1.651 17.000 871 HD21 ASN 3 1HD2 ASN 3 10.875 -2.557 15.820 872 HD22 ASN 3 2HD2 ASN 3 11.031 -3.073 14.180 873 H GLN 4 H GLN 4 12.289 0.427 14.043 874 HA GLN 4 HA GLN 4 10.361 2.018 15.586 875 HB2 GLN 4 1HB GLN 4 10.345 3.713 13.789 876 HB3 GLN 4 2HB GLN 4 11.903 3.603 14.596 877 HG2 GLN 4 1HG GLN 4 11.213 2.362 11.942 878 HG3 GLN 4 2HG GLN 4 12.135 3.845 12.179 879 HE21 GLN 4 1HE2 GLN 4 12.237 0.459 12.010 880 HE22 GLN 4 2HE2 GLN 4 13.906 0.250 12.398 881 H GLY 5 H GLY 5 8.281 2.262 14.588 882 HA2 GLY 5 1HA GLY 5 7.751 0.470 12.321 883 HA3 GLY 5 2HA GLY 5 6.862 0.224 13.816 884 H VAL 6 H VAL 6 6.118 1.092 10.994 885 HA VAL 6 HA VAL 6 4.994 3.736 11.486 886 HB VAL 6 HB VAL 6 4.283 3.693 9.160 887 HG11 VAL 6 1HG1 VAL 6 6.445 4.520 9.335 888 HG12 VAL 6 2HG1 VAL 6 7.117 2.949 9.778 889 HG13 VAL 6 3HG1 VAL 6 6.607 3.255 8.117 890 HG21 VAL 6 3HG2 VAL 6 4.981 1.739 7.732 891 HG22 VAL 6 1HG2 VAL 6 5.270 0.850 9.227 892 HG23 VAL 6 2HG2 VAL 6 3.648 1.425 8.843 893 H ILE 7 H ILE 7 2.790 4.194 11.472 894 HA ILE 7 HA ILE 7 1.110 2.212 12.615 895 HB ILE 7 HB ILE 7 0.240 4.846 11.428 896 HG12 ILE 7 1HG1 ILE 7 2.149 4.974 13.114 897 HG13 ILE 7 2HG1 ILE 7 0.703 5.902 13.498 898 HG21 ILE 7 1HG2 ILE 7 -0.972 3.002 13.476 899 HG22 ILE 7 2HG2 ILE 7 -1.529 4.650 13.192 900 HG23 ILE 7 3HG2 ILE 7 -1.632 3.451 11.903 901 HD11 ILE 7 3HD1 ILE 7 0.929 3.147 14.575 902 HD12 ILE 7 1HD1 ILE 7 1.913 4.419 15.297 903 HD13 ILE 7 2HD1 ILE 7 0.157 4.574 15.264 904 H PTR 8 H PTR 8 -0.957 1.495 11.765 905 HA PTR 8 HA PTR 8 -1.007 1.329 8.825 906 HB2 PTR 8 2HB PTR 8 -1.289 -0.849 10.866 907 HB3 PTR 8 3HB PTR 8 -2.099 -0.996 9.311 908 HD1 PTR 8 1HD PTR 8 -0.942 -1.844 7.474 909 HD2 PTR 8 2HD PTR 8 1.254 -0.388 10.816 910 HE1 PTR 8 1HE PTR 8 1.137 -2.686 6.467 911 HE2 PTR 8 2HE PTR 8 3.340 -1.225 9.817 912 H SER 9 H SER 9 -2.635 2.708 8.372 913 HA SER 9 HA SER 9 -4.859 3.315 9.872 914 HB2 SER 9 1HB SER 9 -4.267 3.403 6.945 915 HB3 SER 9 2HB SER 9 -5.925 3.687 7.475 916 HG SER 9 HG SER 9 -4.360 5.549 7.311 917 H ASP 10 H ASP 10 -6.309 1.979 10.711 918 HA ASP 10 HA ASP 10 -6.830 -0.628 9.806 919 HB2 ASP 10 1HB ASP 10 -8.048 1.222 11.784 920 HB3 ASP 10 2HB ASP 10 -9.046 -0.122 11.237 921 H LEU 11 H LEU 11 -9.338 -1.214 9.486 922 HA LEU 11 HA LEU 11 -10.287 0.447 7.245 923 HB2 LEU 11 1HB LEU 11 -10.062 -2.508 7.559 924 HB3 LEU 11 2HB LEU 11 -11.357 -1.850 6.561 925 HG LEU 11 HG LEU 11 -9.881 -1.037 4.960 926 HD11 LEU 11 1HD1 LEU 11 -8.316 0.222 6.105 927 HD12 LEU 11 2HD1 LEU 11 -7.342 -1.102 5.467 928 HD13 LEU 11 3HD1 LEU 11 -7.852 -1.117 7.155 929 HD21 LEU 11 3HD2 LEU 11 -9.152 -2.992 4.168 930 HD22 LEU 11 1HD2 LEU 11 -9.759 -3.694 5.668 931 HD23 LEU 11 2HD2 LEU 11 -8.062 -3.237 5.533 932 H ASN 12 H ASN 12 -12.712 -0.532 6.753 933 HA ASN 12 HA ASN 12 -14.235 0.372 9.020 934 HB2 ASN 12 1HB ASN 12 -16.051 0.513 7.577 935 HB3 ASN 12 2HB ASN 12 -14.695 0.760 6.480 936 HD21 ASN 12 1HD2 ASN 12 -13.939 -1.109 5.276 937 HD22 ASN 12 2HD2 ASN 12 -15.077 -2.323 4.810 938 H LEU 13 H LEU 13 -14.194 -2.630 7.097 939 HA LEU 13 HA LEU 13 -15.979 -4.168 8.436 940 HB2 LEU 13 1HB LEU 13 -13.380 -5.470 7.859 941 HB3 LEU 13 2HB LEU 13 -15.017 -5.986 7.460 942 HG LEU 13 HG LEU 13 -14.869 -3.932 5.794 943 HD11 LEU 13 1HD1 LEU 13 -12.013 -4.842 5.774 944 HD12 LEU 13 2HD1 LEU 13 -12.527 -3.448 6.724 945 HD13 LEU 13 3HD1 LEU 13 -12.742 -3.450 4.974 946 HD21 LEU 13 3HD2 LEU 13 -14.787 -5.494 4.165 947 HD22 LEU 13 1HD2 LEU 13 -14.932 -6.603 5.529 948 HD23 LEU 13 2HD2 LEU 13 -13.348 -6.270 4.826 949 HA PRO 14 HA PRO 14 -12.639 -5.345 11.752 950 HB2 PRO 14 1HB PRO 14 -10.498 -3.686 11.943 951 HB3 PRO 14 2HB PRO 14 -10.520 -5.110 10.896 952 HG2 PRO 14 1HG PRO 14 -10.980 -2.236 10.195 953 HG3 PRO 14 2HG PRO 14 -10.034 -3.462 9.329 954 HD2 PRO 14 1HD PRO 14 -12.538 -2.753 8.578 955 HD3 PRO 14 2HD PRO 14 -11.904 -4.397 8.356 956 HA PRO 15 HA PRO 15 -14.282 -2.508 14.695 957 HB2 PRO 15 1HB PRO 15 -12.889 -3.249 16.903 958 HB3 PRO 15 2HB PRO 15 -14.184 -4.233 16.210 959 HG2 PRO 15 1HG PRO 15 -11.219 -4.511 15.899 960 HG3 PRO 15 2HG PRO 15 -12.439 -5.770 16.165 961 HD2 PRO 15 1HD PRO 15 -11.394 -5.249 13.723 962 HD3 PRO 15 2HD PRO 15 -13.063 -5.813 13.947 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.959 -22.637 -14.672 2 HA2 GLY 1 1HA GLY 1 13.036 -21.834 -15.974 3 HA3 GLY 1 2HA GLY 1 11.843 -21.370 -17.178 4 H SER 2 H SER 2 13.548 -19.498 -16.124 5 HA SER 2 HA SER 2 12.789 -18.113 -13.867 6 HB2 SER 2 1HB SER 2 14.774 -17.462 -15.051 7 HB3 SER 2 2HB SER 2 13.850 -17.070 -16.500 8 HG SER 2 HG SER 2 13.328 -15.200 -15.666 9 H SER 3 H SER 3 11.453 -16.292 -13.500 10 HA SER 3 HA SER 3 9.409 -15.713 -15.510 11 HB2 SER 3 1HB SER 3 7.571 -16.159 -14.084 12 HB3 SER 3 2HB SER 3 8.628 -17.559 -13.914 13 HG SER 3 HG SER 3 7.849 -16.700 -11.897 14 H GLY 4 H GLY 4 8.499 -13.671 -15.352 15 HA2 GLY 4 1HA GLY 4 10.018 -11.802 -13.707 16 HA3 GLY 4 2HA GLY 4 8.938 -11.386 -15.029 17 H SER 5 H SER 5 6.587 -11.742 -14.610 18 HA SER 5 HA SER 5 4.801 -10.907 -13.424 19 HB2 SER 5 1HB SER 5 5.951 -13.136 -11.767 20 HB3 SER 5 2HB SER 5 4.513 -12.271 -11.224 21 HG SER 5 HG SER 5 3.731 -12.772 -13.469 22 H SER 6 H SER 6 6.808 -9.103 -13.190 23 HA SER 6 HA SER 6 7.374 -8.505 -10.432 24 HB2 SER 6 1HB SER 6 8.851 -7.943 -12.455 25 HB3 SER 6 2HB SER 6 7.734 -6.610 -12.751 26 HG SER 6 HG SER 6 9.701 -6.255 -11.362 27 H GLY 7 H GLY 7 5.729 -6.582 -12.955 28 HA2 GLY 7 1HA GLY 7 4.007 -5.071 -12.813 29 HA3 GLY 7 2HA GLY 7 3.349 -6.142 -11.585 30 H TRP 8 H TRP 8 3.082 -5.305 -9.630 31 HA TRP 8 HA TRP 8 4.632 -2.898 -8.932 32 HB2 TRP 8 1HB TRP 8 2.548 -2.703 -7.262 33 HB3 TRP 8 2HB TRP 8 2.517 -2.044 -8.895 34 HD1 TRP 8 HD TRP 8 0.342 -2.597 -10.098 35 HE1 TRP 8 1HE TRP 8 -1.345 -4.542 -10.085 36 HE3 TRP 8 3HE TRP 8 2.614 -5.617 -6.655 37 HZ2 TRP 8 2HZ TRP 8 -1.669 -7.026 -8.787 38 HZ3 TRP 8 3HZ TRP 8 1.550 -7.761 -6.083 39 HH2 TRP 8 HH TRP 8 -0.547 -8.449 -7.127 40 H TYR 9 H TYR 9 5.371 -5.710 -8.483 41 HA TYR 9 HA TYR 9 5.249 -5.855 -5.550 42 HB2 TYR 9 1HB TYR 9 4.547 -7.816 -7.099 43 HB3 TYR 9 2HB TYR 9 6.277 -8.056 -7.320 44 HD1 TYR 9 1HD TYR 9 3.542 -8.074 -4.841 45 HD2 TYR 9 2HD TYR 9 7.613 -9.043 -5.609 46 HE1 TYR 9 1HE TYR 9 3.620 -9.374 -2.754 47 HE2 TYR 9 2HE TYR 9 7.702 -10.347 -3.525 48 HH TYR 9 HH TYR 9 6.084 -10.124 -1.146 49 H HIS 10 H HIS 10 6.920 -4.893 -4.604 50 HA HIS 10 HA HIS 10 9.493 -4.714 -5.924 51 HB2 HIS 10 1HB HIS 10 8.349 -3.580 -3.386 52 HB3 HIS 10 2HB HIS 10 10.078 -3.508 -3.707 53 HD1 HIS 10 1HD HIS 10 10.870 -1.606 -5.109 54 HD2 HIS 10 2HD HIS 10 6.769 -2.193 -5.424 55 HE1 HIS 10 1HE HIS 10 10.016 0.326 -6.475 56 HE2 HIS 10 2HE HIS 10 7.522 -0.005 -6.580 57 H GLY 11 H GLY 11 8.283 -5.990 -2.819 58 HA2 GLY 11 1HA GLY 11 8.907 -8.138 -1.986 59 HA3 GLY 11 2HA GLY 11 10.370 -8.054 -2.955 60 H HIS 12 H HIS 12 12.163 -6.938 -2.182 61 HA HIS 12 HA HIS 12 12.361 -6.816 0.673 62 HB2 HIS 12 1HB HIS 12 14.293 -7.575 -0.491 63 HB3 HIS 12 2HB HIS 12 14.287 -6.173 -1.558 64 HD1 HIS 12 1HD HIS 12 15.394 -4.037 -0.707 65 HD2 HIS 12 2HD HIS 12 15.331 -7.099 2.099 66 HE1 HIS 12 1HE HIS 12 16.919 -3.282 1.144 67 HE2 HIS 12 2HE HIS 12 16.931 -5.187 2.791 68 H MET 13 H MET 13 11.143 -5.201 1.540 69 HA MET 13 HA MET 13 12.128 -2.504 1.179 70 HB2 MET 13 1HB MET 13 10.246 -2.958 -0.531 71 HB3 MET 13 2HB MET 13 9.169 -2.928 0.859 72 HG2 MET 13 1HG MET 13 9.746 -0.671 1.352 73 HG3 MET 13 2HG MET 13 11.034 -0.683 0.150 74 HE1 MET 13 3HE MET 13 9.588 0.142 -3.049 75 HE2 MET 13 1HE MET 13 10.925 -0.491 -2.090 76 HE3 MET 13 2HE MET 13 9.735 -1.596 -2.777 77 H SER 14 H SER 14 11.486 -1.072 2.862 78 HA SER 14 HA SER 14 10.312 -2.437 5.196 79 HB2 SER 14 1HB SER 14 12.584 -0.448 5.077 80 HB3 SER 14 2HB SER 14 11.761 -0.883 6.575 81 HG SER 14 HG SER 14 12.875 -2.655 6.621 82 H GLY 15 H GLY 15 9.143 -1.091 6.696 83 HA2 GLY 15 1HA GLY 15 7.197 0.497 5.613 84 HA3 GLY 15 2HA GLY 15 7.721 0.622 7.286 85 H GLY 16 H GLY 16 9.796 1.932 7.585 86 HA2 GLY 16 1HA GLY 16 9.402 4.559 6.965 87 HA3 GLY 16 2HA GLY 16 10.990 3.882 7.289 88 H GLN 17 H GLN 17 10.869 2.130 4.922 89 HA GLN 17 HA GLN 17 11.998 3.964 3.051 90 HB2 GLN 17 1HB GLN 17 12.467 1.394 3.499 91 HB3 GLN 17 2HB GLN 17 11.250 1.190 2.247 92 HG2 GLN 17 1HG GLN 17 12.571 2.109 0.614 93 HG3 GLN 17 2HG GLN 17 13.520 3.052 1.763 94 HE21 GLN 17 1HE2 GLN 17 14.190 1.069 -0.410 95 HE22 GLN 17 2HE2 GLN 17 15.262 -0.051 0.353 96 H ALA 18 H ALA 18 9.310 1.655 2.620 97 HA ALA 18 HA ALA 18 8.255 2.393 0.279 98 HB1 ALA 18 1HB ALA 18 6.647 1.923 2.787 99 HB2 ALA 18 2HB ALA 18 6.023 1.838 1.138 100 HB3 ALA 18 3HB ALA 18 7.245 0.687 1.680 101 H GLU 19 H GLU 19 7.695 4.154 3.315 102 HA GLU 19 HA GLU 19 5.952 6.095 2.337 103 HB2 GLU 19 1HB GLU 19 7.801 5.890 4.653 104 HB3 GLU 19 2HB GLU 19 7.234 7.499 4.229 105 HG2 GLU 19 1HG GLU 19 4.924 6.751 4.430 106 HG3 GLU 19 2HG GLU 19 5.482 5.129 4.837 107 H THR 20 H THR 20 9.498 6.141 2.538 108 HA THR 20 HA THR 20 9.893 8.721 1.529 109 HB THR 20 HB THR 20 11.715 6.325 1.238 110 HG1 THR 20 1HG THR 20 11.192 8.133 3.320 111 HG21 THR 20 3HG2 THR 20 13.449 8.256 1.281 112 HG22 THR 20 1HG2 THR 20 12.092 9.262 0.778 113 HG23 THR 20 2HG2 THR 20 12.601 7.902 -0.223 114 H LEU 21 H LEU 21 9.815 5.590 -0.154 115 HA LEU 21 HA LEU 21 10.343 6.569 -2.729 116 HB2 LEU 21 1HB LEU 21 8.749 4.155 -1.884 117 HB3 LEU 21 2HB LEU 21 9.320 4.465 -3.521 118 HG LEU 21 HG LEU 21 11.665 4.550 -2.256 119 HD11 LEU 21 1HD1 LEU 21 11.089 2.303 -0.717 120 HD12 LEU 21 2HD1 LEU 21 9.834 3.471 -0.307 121 HD13 LEU 21 3HD1 LEU 21 11.536 3.906 -0.135 122 HD21 LEU 21 3HD2 LEU 21 11.334 3.118 -4.098 123 HD22 LEU 21 1HD2 LEU 21 10.133 2.157 -3.236 124 HD23 LEU 21 2HD2 LEU 21 11.831 2.071 -2.767 125 H LEU 22 H LEU 22 7.258 5.941 -1.082 126 HA LEU 22 HA LEU 22 5.616 6.737 -3.242 127 HB2 LEU 22 1HB LEU 22 5.159 6.455 -0.290 128 HB3 LEU 22 2HB LEU 22 3.892 7.041 -1.367 129 HG LEU 22 HG LEU 22 5.249 4.382 -1.754 130 HD11 LEU 22 1HD1 LEU 22 3.447 3.334 -0.579 131 HD12 LEU 22 2HD1 LEU 22 2.651 4.884 -0.314 132 HD13 LEU 22 3HD1 LEU 22 4.180 4.530 0.489 133 HD21 LEU 22 3HD2 LEU 22 4.163 4.832 -3.719 134 HD22 LEU 22 1HD2 LEU 22 2.921 5.813 -2.938 135 HD23 LEU 22 2HD2 LEU 22 2.865 4.054 -2.811 136 H GLN 23 H GLN 23 6.193 8.439 -0.157 137 HA GLN 23 HA GLN 23 5.038 10.846 -0.773 138 HB2 GLN 23 1HB GLN 23 7.466 10.234 0.906 139 HB3 GLN 23 2HB GLN 23 6.771 11.847 0.806 140 HG2 GLN 23 1HG GLN 23 4.660 11.002 1.676 141 HG3 GLN 23 2HG GLN 23 5.338 9.377 1.757 142 HE21 GLN 23 1HE2 GLN 23 4.240 10.822 3.930 143 HE22 GLN 23 2HE2 GLN 23 5.503 11.083 5.080 144 H ALA 24 H ALA 24 8.398 9.878 -1.413 145 HA ALA 24 HA ALA 24 9.315 12.250 -2.530 146 HB1 ALA 24 1HB ALA 24 11.052 10.933 -3.577 147 HB2 ALA 24 2HB ALA 24 10.748 10.331 -1.947 148 HB3 ALA 24 3HB ALA 24 10.114 9.458 -3.342 149 H LYS 25 H LYS 25 7.631 9.540 -4.068 150 HA LYS 25 HA LYS 25 7.823 10.341 -6.721 151 HB2 LYS 25 1HB LYS 25 6.920 8.159 -5.915 152 HB3 LYS 25 2HB LYS 25 5.447 8.989 -5.431 153 HG2 LYS 25 1HG LYS 25 4.857 8.133 -7.478 154 HG3 LYS 25 2HG LYS 25 5.381 9.762 -7.911 155 HD2 LYS 25 1HD LYS 25 7.712 8.601 -8.212 156 HD3 LYS 25 2HD LYS 25 6.733 7.141 -8.378 157 HE2 LYS 25 1HE LYS 25 7.042 7.962 -10.567 158 HE3 LYS 25 2HE LYS 25 5.394 8.401 -10.118 159 HZ1 LYS 25 3HZ LYS 25 7.567 10.087 -10.836 160 HZ2 LYS 25 1HZ LYS 25 6.954 10.516 -9.319 161 HZ3 LYS 25 2HZ LYS 25 5.928 10.468 -10.663 162 H GLY 26 H GLY 26 5.655 11.429 -4.179 163 HA2 GLY 26 1HA GLY 26 4.245 13.236 -4.066 164 HA3 GLY 26 2HA GLY 26 5.128 13.893 -5.436 165 H GLU 27 H GLU 27 3.632 10.802 -5.788 166 HA GLU 27 HA GLU 27 1.609 12.031 -7.536 167 HB2 GLU 27 1HB GLU 27 3.167 9.493 -7.676 168 HB3 GLU 27 2HB GLU 27 1.548 9.507 -8.361 169 HG2 GLU 27 1HG GLU 27 2.440 11.703 -9.519 170 HG3 GLU 27 2HG GLU 27 3.998 10.926 -9.244 171 HA PRO 28 HA PRO 28 -1.334 10.673 -4.479 172 HB2 PRO 28 1HB PRO 28 -3.534 11.538 -5.813 173 HB3 PRO 28 2HB PRO 28 -2.461 12.625 -4.923 174 HG2 PRO 28 1HG PRO 28 -2.564 12.051 -7.859 175 HG3 PRO 28 2HG PRO 28 -2.376 13.607 -7.029 176 HD2 PRO 28 1HD PRO 28 -0.282 12.267 -8.105 177 HD3 PRO 28 2HD PRO 28 -0.126 13.277 -6.653 178 H TRP 29 H TRP 29 -2.596 8.889 -4.219 179 HA TRP 29 HA TRP 29 -3.665 6.929 -4.675 180 HB2 TRP 29 1HB TRP 29 -3.790 7.694 -7.583 181 HB3 TRP 29 2HB TRP 29 -4.908 6.690 -6.662 182 HD1 TRP 29 HD TRP 29 -5.204 9.706 -8.327 183 HE1 TRP 29 1HE TRP 29 -6.699 11.432 -7.139 184 HE3 TRP 29 3HE TRP 29 -5.214 7.677 -3.634 185 HZ2 TRP 29 2HZ TRP 29 -7.742 11.876 -4.553 186 HZ3 TRP 29 3HZ TRP 29 -6.485 8.815 -1.860 187 HH2 TRP 29 HH TRP 29 -7.722 10.871 -2.313 188 H THR 30 H THR 30 -0.790 7.188 -4.802 189 HA THR 30 HA THR 30 -0.022 5.289 -6.891 190 HB THR 30 HB THR 30 1.709 6.829 -4.946 191 HG1 THR 30 1HG THR 30 0.696 8.129 -6.565 192 HG21 THR 30 3HG2 THR 30 3.076 5.067 -5.476 193 HG22 THR 30 1HG2 THR 30 3.421 6.130 -6.838 194 HG23 THR 30 2HG2 THR 30 2.297 4.786 -7.032 195 H PHE 31 H PHE 31 -0.693 3.303 -6.201 196 HA PHE 31 HA PHE 31 -0.062 2.432 -3.493 197 HB2 PHE 31 1HB PHE 31 -1.482 0.577 -3.890 198 HB3 PHE 31 2HB PHE 31 -2.279 1.949 -4.652 199 HD1 PHE 31 1HD PHE 31 -2.354 2.151 -7.083 200 HD2 PHE 31 2HD PHE 31 -0.611 -1.237 -5.184 201 HE1 PHE 31 1HE PHE 31 -2.445 0.916 -9.209 202 HE2 PHE 31 2HE PHE 31 -0.699 -2.477 -7.308 203 HZ PHE 31 HZ PHE 31 -1.616 -1.400 -9.325 204 H LEU 32 H LEU 32 1.089 0.455 -3.082 205 HA LEU 32 HA LEU 32 2.631 -0.762 -5.184 206 HB2 LEU 32 1HB LEU 32 4.734 -0.015 -4.678 207 HB3 LEU 32 2HB LEU 32 3.783 1.444 -4.408 208 HG LEU 32 HG LEU 32 3.757 0.606 -1.926 209 HD11 LEU 32 1HD1 LEU 32 6.339 -0.338 -1.848 210 HD12 LEU 32 2HD1 LEU 32 5.637 -1.199 -3.218 211 HD13 LEU 32 3HD1 LEU 32 4.875 -1.298 -1.629 212 HD21 LEU 32 3HD2 LEU 32 6.213 1.810 -3.199 213 HD22 LEU 32 1HD2 LEU 32 5.767 1.915 -1.495 214 HD23 LEU 32 2HD2 LEU 32 4.762 2.691 -2.720 215 H VAL 33 H VAL 33 2.989 -2.833 -4.693 216 HA VAL 33 HA VAL 33 2.306 -3.770 -2.027 217 HB VAL 33 HB VAL 33 3.137 -5.494 -4.351 218 HG11 VAL 33 1HG1 VAL 33 2.937 -6.400 -1.986 219 HG12 VAL 33 2HG1 VAL 33 1.202 -6.114 -2.137 220 HG13 VAL 33 3HG1 VAL 33 2.010 -7.234 -3.234 221 HG21 VAL 33 3HG2 VAL 33 0.539 -5.690 -4.590 222 HG22 VAL 33 1HG2 VAL 33 0.553 -4.088 -3.852 223 HG23 VAL 33 2HG2 VAL 33 1.406 -4.366 -5.371 224 H ARG 34 H ARG 34 3.671 -4.853 -0.647 225 HA ARG 34 HA ARG 34 6.405 -5.410 -1.417 226 HB2 ARG 34 1HB ARG 34 7.207 -4.081 0.654 227 HB3 ARG 34 2HB ARG 34 6.862 -3.204 -0.831 228 HG2 ARG 34 1HG ARG 34 4.700 -2.532 0.034 229 HG3 ARG 34 2HG ARG 34 4.977 -3.470 1.502 230 HD2 ARG 34 1HD ARG 34 6.835 -1.277 0.625 231 HD3 ARG 34 2HD ARG 34 5.414 -0.961 1.619 232 HE ARG 34 HE ARG 34 7.886 -2.032 2.495 233 HH11 ARG 34 2HH1 ARG 34 4.449 -2.282 2.991 234 HH12 ARG 34 1HH1 ARG 34 4.592 -2.818 4.632 235 HH21 ARG 34 2HH2 ARG 34 8.088 -2.737 4.655 236 HH22 ARG 34 1HH2 ARG 34 6.663 -3.076 5.577 237 H GLU 35 H GLU 35 6.990 -7.258 -0.493 238 HA GLU 35 HA GLU 35 5.495 -8.888 1.043 239 HB2 GLU 35 1HB GLU 35 7.963 -9.102 0.059 240 HB3 GLU 35 2HB GLU 35 8.388 -8.820 1.742 241 HG2 GLU 35 1HG GLU 35 6.558 -10.716 2.105 242 HG3 GLU 35 2HG GLU 35 7.079 -11.149 0.477 243 H SER 36 H SER 36 5.631 -9.545 3.319 244 HA SER 36 HA SER 36 5.735 -7.181 5.051 245 HB2 SER 36 1HB SER 36 3.698 -8.859 4.797 246 HB3 SER 36 2HB SER 36 4.612 -9.787 5.985 247 HG SER 36 HG SER 36 4.692 -7.522 7.040 248 H LEU 37 H LEU 37 7.709 -6.941 5.904 249 HA LEU 37 HA LEU 37 9.582 -8.959 6.364 250 HB2 LEU 37 1HB LEU 37 9.354 -6.367 7.881 251 HB3 LEU 37 2HB LEU 37 10.804 -7.345 7.659 252 HG LEU 37 HG LEU 37 9.354 -5.953 5.411 253 HD11 LEU 37 1HD1 LEU 37 11.505 -5.024 7.256 254 HD12 LEU 37 2HD1 LEU 37 10.124 -4.144 6.603 255 HD13 LEU 37 3HD1 LEU 37 11.511 -4.496 5.573 256 HD21 LEU 37 3HD2 LEU 37 12.109 -7.170 5.570 257 HD22 LEU 37 1HD2 LEU 37 11.389 -6.387 4.164 258 HD23 LEU 37 2HD2 LEU 37 10.714 -7.898 4.774 259 H SER 38 H SER 38 7.621 -7.235 8.797 260 HA SER 38 HA SER 38 8.268 -8.582 11.056 261 HB2 SER 38 1HB SER 38 6.672 -6.769 11.116 262 HB3 SER 38 2HB SER 38 5.506 -7.705 10.181 263 HG SER 38 HG SER 38 4.807 -8.273 12.081 264 H GLN 39 H GLN 39 5.323 -9.520 9.286 265 HA GLN 39 HA GLN 39 5.622 -12.236 10.296 266 HB2 GLN 39 1HB GLN 39 3.432 -10.826 10.255 267 HB3 GLN 39 2HB GLN 39 3.355 -11.309 8.565 268 HG2 GLN 39 1HG GLN 39 3.781 -13.430 10.591 269 HG3 GLN 39 2HG GLN 39 2.182 -12.694 10.484 270 HE21 GLN 39 1HE2 GLN 39 4.638 -14.468 8.724 271 HE22 GLN 39 2HE2 GLN 39 3.582 -15.106 7.515 272 HA PRO 40 HA PRO 40 7.501 -13.455 6.443 273 HB2 PRO 40 1HB PRO 40 7.756 -16.081 7.086 274 HB3 PRO 40 2HB PRO 40 8.839 -14.830 7.708 275 HG2 PRO 40 1HG PRO 40 6.484 -16.126 9.027 276 HG3 PRO 40 2HG PRO 40 8.075 -15.738 9.708 277 HD2 PRO 40 1HD PRO 40 5.890 -14.196 10.139 278 HD3 PRO 40 2HD PRO 40 7.530 -13.524 10.044 279 H GLY 41 H GLY 41 5.957 -13.313 4.868 280 HA2 GLY 41 1HA GLY 41 4.851 -14.926 3.324 281 HA3 GLY 41 2HA GLY 41 4.001 -15.527 4.740 282 H ASP 42 H ASP 42 3.698 -12.756 5.791 283 HA ASP 42 HA ASP 42 1.181 -12.197 4.566 284 HB2 ASP 42 1HB ASP 42 1.649 -11.821 6.979 285 HB3 ASP 42 2HB ASP 42 2.740 -10.511 6.535 286 H PHE 43 H PHE 43 0.611 -9.939 3.852 287 HA PHE 43 HA PHE 43 2.811 -8.696 2.346 288 HB2 PHE 43 1HB PHE 43 0.028 -9.241 1.290 289 HB3 PHE 43 2HB PHE 43 1.293 -8.364 0.436 290 HD1 PHE 43 1HD PHE 43 0.493 -11.668 1.924 291 HD2 PHE 43 2HD PHE 43 2.813 -9.499 -0.908 292 HE1 PHE 43 1HE PHE 43 1.315 -13.786 0.981 293 HE2 PHE 43 2HE PHE 43 3.637 -11.613 -1.857 294 HZ PHE 43 HZ PHE 43 2.888 -13.761 -0.914 295 H VAL 44 H VAL 44 2.043 -6.500 1.432 296 HA VAL 44 HA VAL 44 0.149 -5.150 3.198 297 HB VAL 44 HB VAL 44 2.997 -4.206 2.850 298 HG11 VAL 44 1HG1 VAL 44 0.702 -2.972 4.369 299 HG12 VAL 44 2HG1 VAL 44 2.368 -2.390 4.364 300 HG13 VAL 44 3HG1 VAL 44 1.415 -2.352 2.881 301 HG21 VAL 44 3HG2 VAL 44 3.288 -5.718 4.512 302 HG22 VAL 44 1HG2 VAL 44 2.659 -4.401 5.502 303 HG23 VAL 44 2HG2 VAL 44 1.587 -5.699 4.976 304 H LEU 45 H LEU 45 -0.774 -3.305 2.323 305 HA LEU 45 HA LEU 45 -0.061 -2.742 -0.480 306 HB2 LEU 45 1HB LEU 45 -2.178 -3.800 -0.478 307 HB3 LEU 45 2HB LEU 45 -2.741 -2.827 0.878 308 HG LEU 45 HG LEU 45 -2.525 -0.831 -0.729 309 HD11 LEU 45 1HD1 LEU 45 -1.765 -1.229 -2.772 310 HD12 LEU 45 2HD1 LEU 45 -3.159 -2.269 -3.068 311 HD13 LEU 45 3HD1 LEU 45 -1.666 -2.957 -2.429 312 HD21 LEU 45 3HD2 LEU 45 -4.604 -2.984 -0.857 313 HD22 LEU 45 1HD2 LEU 45 -4.751 -1.521 -1.829 314 HD23 LEU 45 2HD2 LEU 45 -4.679 -1.407 -0.071 315 H SER 46 H SER 46 1.317 -1.032 0.012 316 HA SER 46 HA SER 46 0.366 1.173 1.630 317 HB2 SER 46 1HB SER 46 2.811 0.275 1.416 318 HB3 SER 46 2HB SER 46 2.863 1.274 -0.037 319 HG SER 46 HG SER 46 3.362 2.782 1.351 320 H VAL 47 H VAL 47 -0.378 3.100 0.923 321 HA VAL 47 HA VAL 47 -0.278 3.700 -1.944 322 HB VAL 47 HB VAL 47 -2.808 3.682 -0.294 323 HG11 VAL 47 1HG1 VAL 47 -3.063 5.598 -1.574 324 HG12 VAL 47 2HG1 VAL 47 -2.162 4.930 -2.937 325 HG13 VAL 47 3HG1 VAL 47 -3.794 4.357 -2.592 326 HG21 VAL 47 3HG2 VAL 47 -3.215 1.692 -1.197 327 HG22 VAL 47 1HG2 VAL 47 -2.974 2.343 -2.819 328 HG23 VAL 47 2HG2 VAL 47 -1.602 1.715 -1.907 329 H LEU 48 H LEU 48 -0.149 5.850 -2.432 330 HA LEU 48 HA LEU 48 0.260 7.649 -0.167 331 HB2 LEU 48 1HB LEU 48 1.956 7.398 -2.004 332 HB3 LEU 48 2HB LEU 48 0.798 8.174 -3.083 333 HG LEU 48 HG LEU 48 0.873 10.181 -1.593 334 HD11 LEU 48 1HD1 LEU 48 2.789 10.373 -0.059 335 HD12 LEU 48 2HD1 LEU 48 3.152 8.668 -0.327 336 HD13 LEU 48 3HD1 LEU 48 1.638 9.136 0.448 337 HD21 LEU 48 3HD2 LEU 48 3.154 9.155 -3.191 338 HD22 LEU 48 1HD2 LEU 48 3.404 10.622 -2.245 339 HD23 LEU 48 2HD2 LEU 48 2.123 10.562 -3.457 340 H SER 49 H SER 49 -1.756 8.286 0.477 341 HA SER 49 HA SER 49 -3.916 8.906 -1.184 342 HB2 SER 49 1HB SER 49 -4.756 10.216 0.811 343 HB3 SER 49 2HB SER 49 -4.321 8.542 1.146 344 HG SER 49 HG SER 49 -2.131 9.813 1.557 345 H ASP 50 H ASP 50 -4.707 10.815 -2.031 346 HA ASP 50 HA ASP 50 -2.783 12.717 -2.879 347 HB2 ASP 50 1HB ASP 50 -4.436 13.565 -4.232 348 HB3 ASP 50 2HB ASP 50 -5.099 11.963 -3.921 349 H GLN 51 H GLN 51 -4.214 12.360 0.061 350 HA GLN 51 HA GLN 51 -4.587 15.180 0.642 351 HB2 GLN 51 1HB GLN 51 -4.740 12.801 2.500 352 HB3 GLN 51 2HB GLN 51 -5.278 14.436 2.856 353 HG2 GLN 51 1HG GLN 51 -7.158 14.249 1.578 354 HG3 GLN 51 2HG GLN 51 -6.437 13.059 0.495 355 HE21 GLN 51 1HE2 GLN 51 -6.611 10.917 0.956 356 HE22 GLN 51 2HE2 GLN 51 -7.547 10.291 2.267 357 HA PRO 52 HA PRO 52 -0.272 15.534 1.753 358 HB2 PRO 52 1HB PRO 52 -0.377 18.184 2.331 359 HB3 PRO 52 2HB PRO 52 -0.311 17.564 0.677 360 HG2 PRO 52 1HG PRO 52 -2.675 18.502 2.256 361 HG3 PRO 52 2HG PRO 52 -2.264 18.822 0.562 362 HD2 PRO 52 1HD PRO 52 -4.087 16.958 1.291 363 HD3 PRO 52 2HD PRO 52 -3.064 16.781 -0.149 364 H LYS 53 H LYS 53 0.892 15.743 3.662 365 HA LYS 53 HA LYS 53 -0.411 15.105 6.054 366 HB2 LYS 53 1HB LYS 53 2.357 16.162 5.495 367 HB3 LYS 53 2HB LYS 53 1.823 15.725 7.113 368 HG2 LYS 53 1HG LYS 53 1.387 13.438 6.336 369 HG3 LYS 53 2HG LYS 53 1.968 13.886 4.732 370 HD2 LYS 53 1HD LYS 53 3.882 12.990 5.607 371 HD3 LYS 53 2HD LYS 53 4.085 14.673 6.099 372 HE2 LYS 53 1HE LYS 53 4.498 13.639 8.092 373 HE3 LYS 53 2HE LYS 53 2.752 13.842 8.222 374 HZ1 LYS 53 3HZ LYS 53 3.401 11.609 8.831 375 HZ2 LYS 53 1HZ LYS 53 4.158 11.380 7.336 376 HZ3 LYS 53 2HZ LYS 53 2.480 11.570 7.413 377 H ALA 54 H ALA 54 0.920 18.195 4.921 378 HA ALA 54 HA ALA 54 -0.625 19.535 7.045 379 HB1 ALA 54 1HB ALA 54 1.325 21.338 6.268 380 HB2 ALA 54 2HB ALA 54 1.323 20.362 7.738 381 HB3 ALA 54 3HB ALA 54 2.164 19.786 6.299 382 H GLY 55 H GLY 55 0.723 19.955 3.773 383 HA2 GLY 55 1HA GLY 55 -1.664 20.837 2.618 384 HA3 GLY 55 2HA GLY 55 -0.771 22.261 3.132 385 HA PRO 56 HA PRO 56 0.666 21.484 -1.129 386 HB2 PRO 56 1HB PRO 56 1.152 24.101 -1.661 387 HB3 PRO 56 2HB PRO 56 -0.452 23.372 -1.811 388 HG2 PRO 56 1HG PRO 56 0.684 25.010 0.424 389 HG3 PRO 56 2HG PRO 56 -0.925 25.091 -0.318 390 HD2 PRO 56 1HD PRO 56 -0.466 23.830 2.035 391 HD3 PRO 56 2HD PRO 56 -1.710 23.290 0.888 392 H GLY 57 H GLY 57 2.512 20.432 -0.062 393 HA2 GLY 57 1HA GLY 57 4.957 21.238 -0.774 394 HA3 GLY 57 2HA GLY 57 4.731 22.145 0.713 395 H SER 58 H SER 58 3.071 19.881 1.801 396 HA SER 58 HA SER 58 5.298 18.414 2.929 397 HB2 SER 58 1HB SER 58 3.631 17.470 4.457 398 HB3 SER 58 2HB SER 58 3.473 19.224 4.381 399 HG SER 58 HG SER 58 1.939 17.599 2.676 400 HA PRO 59 HA PRO 59 4.992 14.776 0.491 401 HB2 PRO 59 1HB PRO 59 5.690 12.879 2.304 402 HB3 PRO 59 2HB PRO 59 6.850 14.019 1.611 403 HG2 PRO 59 1HG PRO 59 5.455 14.112 4.258 404 HG3 PRO 59 2HG PRO 59 7.150 14.462 3.874 405 HD2 PRO 59 1HD PRO 59 5.305 16.412 4.236 406 HD3 PRO 59 2HD PRO 59 6.670 16.585 3.115 407 H LEU 60 H LEU 60 3.038 14.106 -0.162 408 HA LEU 60 HA LEU 60 0.696 13.833 1.077 409 HB2 LEU 60 1HB LEU 60 1.907 11.956 -0.936 410 HB3 LEU 60 2HB LEU 60 0.225 11.843 -0.419 411 HG LEU 60 HG LEU 60 1.445 14.261 -1.750 412 HD11 LEU 60 1HD1 LEU 60 0.116 11.830 -2.838 413 HD12 LEU 60 2HD1 LEU 60 1.455 12.776 -3.489 414 HD13 LEU 60 3HD1 LEU 60 -0.194 13.388 -3.605 415 HD21 LEU 60 3HD2 LEU 60 -0.934 14.884 -2.071 416 HD22 LEU 60 1HD2 LEU 60 -0.443 14.841 -0.378 417 HD23 LEU 60 2HD2 LEU 60 -1.393 13.518 -1.052 418 H ARG 61 H ARG 61 -0.463 12.296 2.259 419 HA ARG 61 HA ARG 61 1.048 10.869 4.197 420 HB2 ARG 61 1HB ARG 61 -1.362 11.922 4.309 421 HB3 ARG 61 2HB ARG 61 -1.858 10.330 3.752 422 HG2 ARG 61 1HG ARG 61 -2.019 10.091 6.026 423 HG3 ARG 61 2HG ARG 61 -0.388 9.486 5.730 424 HD2 ARG 61 1HD ARG 61 0.592 11.518 6.462 425 HD3 ARG 61 2HD ARG 61 -0.965 12.345 6.464 426 HE ARG 61 HE ARG 61 0.126 10.735 8.555 427 HH11 ARG 61 2HH1 ARG 61 -2.844 11.759 7.053 428 HH12 ARG 61 1HH1 ARG 61 -3.797 11.530 8.482 429 HH21 ARG 61 2HH2 ARG 61 -1.118 10.431 10.442 430 HH22 ARG 61 1HH2 ARG 61 -2.814 10.776 10.409 431 H VAL 62 H VAL 62 1.263 8.655 4.520 432 HA VAL 62 HA VAL 62 0.731 7.000 2.140 433 HB VAL 62 HB VAL 62 2.880 6.607 4.228 434 HG11 VAL 62 1HG1 VAL 62 2.270 5.127 1.673 435 HG12 VAL 62 2HG1 VAL 62 3.739 4.916 2.628 436 HG13 VAL 62 3HG1 VAL 62 2.170 4.496 3.317 437 HG21 VAL 62 3HG2 VAL 62 3.812 8.319 3.074 438 HG22 VAL 62 1HG2 VAL 62 4.228 7.027 1.948 439 HG23 VAL 62 2HG2 VAL 62 2.818 8.041 1.644 440 H THR 63 H THR 63 -0.896 5.636 2.417 441 HA THR 63 HA THR 63 -1.734 4.839 5.075 442 HB THR 63 HB THR 63 -2.889 4.194 2.356 443 HG1 THR 63 1HG THR 63 -4.349 5.779 2.845 444 HG21 THR 63 3HG2 THR 63 -4.757 3.213 3.465 445 HG22 THR 63 1HG2 THR 63 -4.154 3.703 5.049 446 HG23 THR 63 2HG2 THR 63 -3.310 2.455 4.130 447 H HIS 64 H HIS 64 -1.043 3.065 6.059 448 HA HIS 64 HA HIS 64 0.150 0.924 4.433 449 HB2 HIS 64 1HB HIS 64 0.550 1.555 7.365 450 HB3 HIS 64 2HB HIS 64 1.346 0.258 6.478 451 HD1 HIS 64 1HD HIS 64 2.997 1.080 4.511 452 HD2 HIS 64 2HD HIS 64 1.830 3.960 7.270 453 HE1 HIS 64 1HE HIS 64 4.637 2.967 4.247 454 HE2 HIS 64 2HE HIS 64 3.962 4.662 5.984 455 H ILE 65 H ILE 65 -1.338 -0.587 4.019 456 HA ILE 65 HA ILE 65 -3.068 -1.473 6.234 457 HB ILE 65 HB ILE 65 -3.574 -1.667 3.263 458 HG12 ILE 65 1HG1 ILE 65 -5.294 -0.168 5.202 459 HG13 ILE 65 2HG1 ILE 65 -3.814 0.580 4.612 460 HG21 ILE 65 1HG2 ILE 65 -5.753 -2.219 5.151 461 HG22 ILE 65 2HG2 ILE 65 -5.321 -3.026 3.645 462 HG23 ILE 65 3HG2 ILE 65 -4.459 -3.417 5.133 463 HD11 ILE 65 3HD1 ILE 65 -6.289 0.642 3.402 464 HD12 ILE 65 1HD1 ILE 65 -4.749 1.084 2.666 465 HD13 ILE 65 2HD1 ILE 65 -5.387 -0.548 2.463 466 H LYS 66 H LYS 66 -2.744 -3.452 6.993 467 HA LYS 66 HA LYS 66 -0.807 -5.188 5.767 468 HB2 LYS 66 1HB LYS 66 -2.419 -5.226 8.284 469 HB3 LYS 66 2HB LYS 66 -1.686 -6.724 7.723 470 HG2 LYS 66 1HG LYS 66 0.494 -5.841 7.908 471 HG3 LYS 66 2HG LYS 66 -0.112 -4.194 8.104 472 HD2 LYS 66 1HD LYS 66 0.371 -4.725 10.283 473 HD3 LYS 66 2HD LYS 66 -1.316 -5.234 10.198 474 HE2 LYS 66 1HE LYS 66 -0.682 -7.521 9.912 475 HE3 LYS 66 2HE LYS 66 1.014 -7.083 9.717 476 HZ1 LYS 66 3HZ LYS 66 -0.611 -7.171 12.161 477 HZ2 LYS 66 1HZ LYS 66 0.686 -6.086 12.080 478 HZ3 LYS 66 2HZ LYS 66 0.958 -7.745 11.893 479 H VAL 67 H VAL 67 -1.141 -7.022 4.626 480 HA VAL 67 HA VAL 67 -3.933 -7.695 3.984 481 HB VAL 67 HB VAL 67 -1.483 -8.406 2.371 482 HG11 VAL 67 1HG1 VAL 67 -2.851 -9.471 0.957 483 HG12 VAL 67 2HG1 VAL 67 -4.018 -9.451 2.280 484 HG13 VAL 67 3HG1 VAL 67 -4.070 -8.201 1.038 485 HG21 VAL 67 3HG2 VAL 67 -3.060 -5.924 2.502 486 HG22 VAL 67 1HG2 VAL 67 -1.408 -6.194 1.946 487 HG23 VAL 67 2HG2 VAL 67 -2.767 -6.549 0.880 488 H MET 68 H MET 68 -4.477 -9.231 5.455 489 HA MET 68 HA MET 68 -2.733 -11.266 6.370 490 HB2 MET 68 1HB MET 68 -5.672 -10.752 6.557 491 HB3 MET 68 2HB MET 68 -5.055 -12.336 7.007 492 HG2 MET 68 1HG MET 68 -3.804 -11.480 8.777 493 HG3 MET 68 2HG MET 68 -3.889 -9.833 8.158 494 HE1 MET 68 3HE MET 68 -7.572 -9.664 7.840 495 HE2 MET 68 1HE MET 68 -7.083 -8.418 8.989 496 HE3 MET 68 2HE MET 68 -6.053 -8.797 7.607 497 H CYS 69 H CYS 69 -2.767 -13.509 5.923 498 HA CYS 69 HA CYS 69 -4.038 -14.273 3.385 499 HB2 CYS 69 1HB CYS 69 -1.633 -13.764 3.018 500 HB3 CYS 69 2HB CYS 69 -1.217 -15.002 4.198 501 HG CYS 69 HG CYS 69 -2.312 -15.356 1.020 502 H GLU 70 H GLU 70 -5.396 -15.884 3.766 503 HA GLU 70 HA GLU 70 -4.727 -17.821 5.882 504 HB2 GLU 70 1HB GLU 70 -7.399 -16.882 4.840 505 HB3 GLU 70 2HB GLU 70 -7.218 -18.289 5.877 506 HG2 GLU 70 1HG GLU 70 -6.039 -16.722 7.506 507 HG3 GLU 70 2HG GLU 70 -6.695 -15.412 6.525 508 H GLY 71 H GLY 71 -3.763 -19.499 4.894 509 HA2 GLY 71 1HA GLY 71 -3.766 -21.510 3.734 510 HA3 GLY 71 2HA GLY 71 -5.334 -21.086 3.063 511 H GLY 72 H GLY 72 -4.691 -18.631 1.878 512 HA2 GLY 72 1HA GLY 72 -2.403 -18.586 0.293 513 HA3 GLY 72 2HA GLY 72 -3.608 -19.518 -0.583 514 H ARG 73 H ARG 73 -5.784 -17.863 0.646 515 HA ARG 73 HA ARG 73 -5.811 -15.830 -1.392 516 HB2 ARG 73 1HB ARG 73 -7.803 -16.434 0.802 517 HB3 ARG 73 2HB ARG 73 -8.068 -15.330 -0.542 518 HG2 ARG 73 1HG ARG 73 -8.337 -17.016 -2.058 519 HG3 ARG 73 2HG ARG 73 -7.319 -18.138 -1.154 520 HD2 ARG 73 1HD ARG 73 -9.901 -17.231 0.031 521 HD3 ARG 73 2HD ARG 73 -9.922 -18.453 -1.238 522 HE ARG 73 HE ARG 73 -8.046 -19.216 0.690 523 HH11 ARG 73 2HH1 ARG 73 -11.486 -18.806 0.355 524 HH12 ARG 73 1HH1 ARG 73 -11.877 -20.017 1.531 525 HH21 ARG 73 2HH2 ARG 73 -8.546 -20.813 2.240 526 HH22 ARG 73 1HH2 ARG 73 -10.204 -21.158 2.603 527 H TYR 74 H TYR 74 -6.460 -13.568 -0.843 528 HA TYR 74 HA TYR 74 -5.067 -12.663 1.592 529 HB2 TYR 74 1HB TYR 74 -5.264 -11.267 -1.086 530 HB3 TYR 74 2HB TYR 74 -4.494 -10.602 0.351 531 HD1 TYR 74 1HD TYR 74 -2.912 -12.746 1.413 532 HD2 TYR 74 2HD TYR 74 -3.640 -11.742 -2.656 533 HE1 TYR 74 1HE TYR 74 -0.791 -13.816 0.777 534 HE2 TYR 74 2HE TYR 74 -1.522 -12.811 -3.305 535 HH TYR 74 HH TYR 74 0.678 -13.363 -2.188 536 H THR 75 H THR 75 -6.013 -11.097 2.838 537 HA THR 75 HA THR 75 -8.503 -9.866 1.959 538 HB THR 75 HB THR 75 -9.176 -12.004 3.042 539 HG1 THR 75 1HG THR 75 -9.932 -9.865 4.733 540 HG21 THR 75 3HG2 THR 75 -7.613 -12.474 4.691 541 HG22 THR 75 1HG2 THR 75 -8.982 -11.888 5.635 542 HG23 THR 75 2HG2 THR 75 -7.615 -10.823 5.308 543 H VAL 76 H VAL 76 -9.193 -8.108 3.329 544 HA VAL 76 HA VAL 76 -7.029 -7.057 5.035 545 HB VAL 76 HB VAL 76 -7.882 -4.768 4.366 546 HG11 VAL 76 1HG1 VAL 76 -6.359 -4.623 2.652 547 HG12 VAL 76 2HG1 VAL 76 -5.869 -6.144 3.401 548 HG13 VAL 76 3HG1 VAL 76 -6.854 -6.158 1.938 549 HG21 VAL 76 3HG2 VAL 76 -9.854 -6.296 3.086 550 HG22 VAL 76 1HG2 VAL 76 -9.628 -4.548 3.012 551 HG23 VAL 76 2HG2 VAL 76 -8.877 -5.586 1.800 552 H GLY 77 H GLY 77 -8.008 -7.884 6.920 553 HA2 GLY 77 1HA GLY 77 -9.437 -7.884 8.721 554 HA3 GLY 77 2HA GLY 77 -9.630 -6.176 8.352 555 H GLY 78 H GLY 78 -10.579 -8.526 5.989 556 HA2 GLY 78 1HA GLY 78 -13.405 -8.104 6.739 557 HA3 GLY 78 2HA GLY 78 -12.861 -7.952 5.076 558 H LEU 79 H LEU 79 -14.902 -9.703 5.931 559 HA LEU 79 HA LEU 79 -13.901 -12.354 6.248 560 HB2 LEU 79 1HB LEU 79 -16.584 -11.195 5.580 561 HB3 LEU 79 2HB LEU 79 -16.308 -12.934 5.543 562 HG LEU 79 HG LEU 79 -15.716 -11.321 8.003 563 HD11 LEU 79 1HD1 LEU 79 -18.365 -12.512 7.201 564 HD12 LEU 79 2HD1 LEU 79 -18.008 -10.804 7.452 565 HD13 LEU 79 3HD1 LEU 79 -17.964 -11.923 8.814 566 HD21 LEU 79 3HD2 LEU 79 -15.498 -14.050 7.244 567 HD22 LEU 79 1HD2 LEU 79 -16.746 -13.918 8.483 568 HD23 LEU 79 2HD2 LEU 79 -15.123 -13.303 8.798 569 H GLU 80 H GLU 80 -14.245 -10.276 3.574 570 HA GLU 80 HA GLU 80 -14.706 -12.185 1.532 571 HB2 GLU 80 1HB GLU 80 -13.708 -9.370 1.619 572 HB3 GLU 80 2HB GLU 80 -13.503 -10.293 0.138 573 HG2 GLU 80 1HG GLU 80 -15.774 -10.450 -0.240 574 HG3 GLU 80 2HG GLU 80 -16.179 -10.154 1.450 575 H THR 81 H THR 81 -12.922 -12.233 -0.328 576 HA THR 81 HA THR 81 -10.218 -12.505 0.616 577 HB THR 81 HB THR 81 -9.968 -14.888 0.134 578 HG1 THR 81 1HG THR 81 -11.837 -14.955 -1.330 579 HG21 THR 81 3HG2 THR 81 -12.215 -14.405 2.092 580 HG22 THR 81 1HG2 THR 81 -10.504 -14.167 2.437 581 HG23 THR 81 2HG2 THR 81 -11.115 -15.782 2.078 582 H PHE 82 H PHE 82 -8.721 -13.067 -1.102 583 HA PHE 82 HA PHE 82 -9.822 -12.915 -3.812 584 HB2 PHE 82 1HB PHE 82 -7.558 -11.164 -2.831 585 HB3 PHE 82 2HB PHE 82 -8.215 -11.201 -4.465 586 HD1 PHE 82 2HD PHE 82 -8.797 -10.139 -1.010 587 HD2 PHE 82 1HD PHE 82 -10.301 -10.131 -4.992 588 HE1 PHE 82 2HE PHE 82 -10.416 -8.393 -0.391 589 HE2 PHE 82 1HE PHE 82 -11.922 -8.383 -4.380 590 HZ PHE 82 HZ PHE 82 -11.982 -7.513 -2.077 591 H ASP 83 H ASP 83 -8.582 -13.900 -5.397 592 HA ASP 83 HA ASP 83 -7.113 -16.128 -4.747 593 HB2 ASP 83 1HB ASP 83 -7.764 -16.150 -6.952 594 HB3 ASP 83 2HB ASP 83 -7.347 -14.457 -7.204 595 H SER 84 H SER 84 -5.816 -12.955 -5.715 596 HA SER 84 HA SER 84 -3.538 -13.302 -3.986 597 HB2 SER 84 1HB SER 84 -3.311 -13.584 -6.953 598 HB3 SER 84 2HB SER 84 -2.014 -12.766 -6.082 599 HG SER 84 HG SER 84 -2.738 -15.430 -6.092 600 H LEU 85 H LEU 85 -1.914 -11.374 -4.535 601 HA LEU 85 HA LEU 85 -3.109 -9.020 -3.814 602 HB2 LEU 85 1HB LEU 85 -0.550 -9.700 -5.157 603 HB3 LEU 85 2HB LEU 85 -1.035 -8.006 -5.128 604 HG LEU 85 HG LEU 85 0.521 -8.609 -3.308 605 HD11 LEU 85 1HD1 LEU 85 -0.845 -7.640 -1.465 606 HD12 LEU 85 2HD1 LEU 85 -2.259 -7.766 -2.511 607 HD13 LEU 85 3HD1 LEU 85 -0.913 -6.725 -2.972 608 HD21 LEU 85 3HD2 LEU 85 -0.625 -10.949 -3.109 609 HD22 LEU 85 1HD2 LEU 85 -1.678 -10.115 -1.967 610 HD23 LEU 85 2HD2 LEU 85 0.062 -10.170 -1.683 611 H THR 86 H THR 86 -2.725 -10.339 -7.035 612 HA THR 86 HA THR 86 -3.383 -8.016 -8.495 613 HB THR 86 HB THR 86 -3.852 -10.892 -9.304 614 HG1 THR 86 1HG THR 86 -1.567 -9.244 -9.283 615 HG21 THR 86 3HG2 THR 86 -4.804 -8.732 -10.578 616 HG22 THR 86 1HG2 THR 86 -4.251 -10.177 -11.424 617 HG23 THR 86 2HG2 THR 86 -3.182 -8.783 -11.271 618 H ASP 87 H ASP 87 -5.395 -10.830 -7.626 619 HA ASP 87 HA ASP 87 -7.808 -9.779 -8.610 620 HB2 ASP 87 1HB ASP 87 -7.321 -12.189 -7.984 621 HB3 ASP 87 2HB ASP 87 -7.564 -11.714 -6.306 622 H LEU 88 H LEU 88 -6.232 -9.512 -5.475 623 HA LEU 88 HA LEU 88 -8.424 -8.280 -4.143 624 HB2 LEU 88 1HB LEU 88 -6.535 -9.450 -3.021 625 HB3 LEU 88 2HB LEU 88 -5.491 -8.103 -3.469 626 HG LEU 88 HG LEU 88 -7.942 -7.527 -1.878 627 HD11 LEU 88 1HD1 LEU 88 -5.619 -8.067 -0.222 628 HD12 LEU 88 2HD1 LEU 88 -6.230 -9.511 -1.028 629 HD13 LEU 88 3HD1 LEU 88 -7.301 -8.551 -0.009 630 HD21 LEU 88 3HD2 LEU 88 -6.710 -5.692 -1.113 631 HD22 LEU 88 1HD2 LEU 88 -6.274 -5.828 -2.816 632 HD23 LEU 88 2HD2 LEU 88 -5.169 -6.418 -1.574 633 H VAL 89 H VAL 89 -5.274 -6.862 -5.041 634 HA VAL 89 HA VAL 89 -5.882 -4.214 -4.664 635 HB VAL 89 HB VAL 89 -4.146 -5.342 -6.865 636 HG11 VAL 89 1HG1 VAL 89 -3.716 -3.255 -7.485 637 HG12 VAL 89 2HG1 VAL 89 -4.932 -2.681 -6.342 638 HG13 VAL 89 3HG1 VAL 89 -3.249 -2.835 -5.836 639 HG21 VAL 89 3HG2 VAL 89 -2.917 -4.237 -4.436 640 HG22 VAL 89 1HG2 VAL 89 -3.824 -5.732 -4.200 641 HG23 VAL 89 2HG2 VAL 89 -2.501 -5.677 -5.366 642 H GLU 90 H GLU 90 -6.089 -5.926 -7.791 643 HA GLU 90 HA GLU 90 -7.137 -3.969 -9.366 644 HB2 GLU 90 1HB GLU 90 -7.674 -6.925 -9.298 645 HB3 GLU 90 2HB GLU 90 -8.444 -5.894 -10.495 646 HG2 GLU 90 1HG GLU 90 -6.089 -5.107 -11.077 647 HG3 GLU 90 2HG GLU 90 -5.531 -6.494 -10.144 648 H HIS 91 H HIS 91 -9.085 -6.261 -7.448 649 HA HIS 91 HA HIS 91 -11.578 -5.134 -7.995 650 HB2 HIS 91 1HB HIS 91 -11.592 -7.270 -7.004 651 HB3 HIS 91 2HB HIS 91 -10.537 -6.762 -5.688 652 HD1 HIS 91 1HD HIS 91 -14.047 -7.203 -6.567 653 HD2 HIS 91 2HD HIS 91 -11.884 -5.029 -3.764 654 HE1 HIS 91 1HE HIS 91 -15.716 -6.516 -4.816 655 HE2 HIS 91 2HE HIS 91 -14.400 -5.130 -3.175 656 H PHE 92 H PHE 92 -9.029 -4.025 -5.978 657 HA PHE 92 HA PHE 92 -10.773 -2.221 -4.488 658 HB2 PHE 92 1HB PHE 92 -7.975 -3.175 -4.206 659 HB3 PHE 92 2HB PHE 92 -8.318 -1.548 -3.628 660 HD1 PHE 92 2HD PHE 92 -10.857 -1.637 -2.402 661 HD2 PHE 92 1HD PHE 92 -7.858 -4.655 -2.467 662 HE1 PHE 92 2HE PHE 92 -11.755 -2.571 -0.310 663 HE2 PHE 92 1HE PHE 92 -8.752 -5.595 -0.376 664 HZ PHE 92 HZ PHE 92 -10.703 -4.551 0.706 665 H LYS 93 H LYS 93 -8.606 -2.237 -7.175 666 HA LYS 93 HA LYS 93 -7.959 0.517 -7.240 667 HB2 LYS 93 1HB LYS 93 -8.115 -1.466 -9.519 668 HB3 LYS 93 2HB LYS 93 -7.324 0.104 -9.581 669 HG2 LYS 93 1HG LYS 93 -6.012 -0.891 -7.505 670 HG3 LYS 93 2HG LYS 93 -6.454 -2.413 -8.282 671 HD2 LYS 93 1HD LYS 93 -5.258 -0.210 -9.911 672 HD3 LYS 93 2HD LYS 93 -4.216 -1.222 -8.909 673 HE2 LYS 93 1HE LYS 93 -5.061 -3.217 -10.033 674 HE3 LYS 93 2HE LYS 93 -6.133 -2.220 -11.015 675 HZ1 LYS 93 3HZ LYS 93 -3.164 -2.126 -11.039 676 HZ2 LYS 93 1HZ LYS 93 -4.181 -1.137 -11.962 677 HZ3 LYS 93 2HZ LYS 93 -4.146 -2.805 -12.237 678 H LYS 94 H LYS 94 -10.833 -1.181 -7.934 679 HA LYS 94 HA LYS 94 -11.902 1.078 -9.483 680 HB2 LYS 94 1HB LYS 94 -13.766 -0.500 -10.045 681 HB3 LYS 94 2HB LYS 94 -12.189 -0.997 -10.644 682 HG2 LYS 94 1HG LYS 94 -11.996 -2.495 -8.652 683 HG3 LYS 94 2HG LYS 94 -13.674 -2.099 -8.272 684 HD2 LYS 94 1HD LYS 94 -13.971 -4.017 -9.490 685 HD3 LYS 94 2HD LYS 94 -14.060 -2.813 -10.777 686 HE2 LYS 94 1HE LYS 94 -11.822 -3.239 -11.446 687 HE3 LYS 94 2HE LYS 94 -11.504 -4.200 -10.002 688 HZ1 LYS 94 3HZ LYS 94 -13.540 -4.986 -12.001 689 HZ2 LYS 94 1HZ LYS 94 -12.838 -5.939 -10.792 690 HZ3 LYS 94 2HZ LYS 94 -11.921 -5.460 -12.131 691 H THR 95 H THR 95 -12.432 -0.918 -6.634 692 HA THR 95 HA THR 95 -14.782 0.622 -5.871 693 HB THR 95 HB THR 95 -14.954 -0.903 -3.968 694 HG1 THR 95 1HG THR 95 -13.185 -1.837 -3.303 695 HG21 THR 95 3HG2 THR 95 -14.916 -1.754 -6.744 696 HG22 THR 95 1HG2 THR 95 -16.083 -2.113 -5.472 697 HG23 THR 95 2HG2 THR 95 -14.626 -3.094 -5.636 698 H GLY 96 H GLY 96 -11.710 -0.271 -4.274 699 HA2 GLY 96 1HA GLY 96 -10.252 1.393 -3.330 700 HA3 GLY 96 2HA GLY 96 -11.651 2.430 -3.101 701 H ILE 97 H ILE 97 -9.703 1.754 -1.119 702 HA ILE 97 HA ILE 97 -11.153 -0.047 0.680 703 HB ILE 97 HB ILE 97 -8.407 1.177 0.972 704 HG12 ILE 97 1HG1 ILE 97 -8.937 -1.747 0.615 705 HG13 ILE 97 2HG1 ILE 97 -8.961 -0.697 -0.799 706 HG21 ILE 97 1HG2 ILE 97 -8.534 -0.957 2.679 707 HG22 ILE 97 2HG2 ILE 97 -8.723 0.733 3.142 708 HG23 ILE 97 3HG2 ILE 97 -10.146 -0.259 2.827 709 HD11 ILE 97 3HD1 ILE 97 -6.702 -1.555 0.896 710 HD12 ILE 97 1HD1 ILE 97 -6.781 -1.279 -0.844 711 HD13 ILE 97 2HD1 ILE 97 -6.649 0.090 0.261 712 H GLU 98 H GLU 98 -11.916 0.587 2.674 713 HA GLU 98 HA GLU 98 -12.013 3.498 3.124 714 HB2 GLU 98 1HB GLU 98 -14.217 2.730 2.673 715 HB3 GLU 98 2HB GLU 98 -14.022 1.333 3.722 716 HG2 GLU 98 1HG GLU 98 -14.140 2.653 5.671 717 HG3 GLU 98 2HG GLU 98 -13.950 4.149 4.757 718 H GLU 99 H GLU 99 -10.660 4.075 4.687 719 HA GLU 99 HA GLU 99 -9.817 2.240 6.733 720 HB2 GLU 99 1HB GLU 99 -9.263 5.197 6.436 721 HB3 GLU 99 2HB GLU 99 -8.442 4.104 7.541 722 HG2 GLU 99 1HG GLU 99 -7.370 2.965 5.790 723 HG3 GLU 99 2HG GLU 99 -8.430 3.673 4.573 724 H ALA 100 H ALA 100 -10.417 2.161 8.838 725 HA ALA 100 HA ALA 100 -12.884 2.743 9.734 726 HB1 ALA 100 1HB ALA 100 -10.393 2.078 10.962 727 HB2 ALA 100 2HB ALA 100 -11.243 3.253 11.966 728 HB3 ALA 100 3HB ALA 100 -12.032 1.740 11.518 729 H SER 101 H SER 101 -10.096 4.906 10.276 730 HA SER 101 HA SER 101 -11.234 6.985 11.570 731 HB2 SER 101 1HB SER 101 -9.591 8.448 10.564 732 HB3 SER 101 2HB SER 101 -8.853 6.868 10.816 733 HG SER 101 HG SER 101 -8.411 7.720 8.731 734 H GLY 102 H GLY 102 -11.545 6.289 8.120 735 HA2 GLY 102 1HA GLY 102 -13.846 6.846 7.267 736 HA3 GLY 102 2HA GLY 102 -13.564 8.441 7.951 737 H ALA 103 H ALA 103 -10.895 6.820 6.490 738 HA ALA 103 HA ALA 103 -10.946 8.776 4.308 739 HB1 ALA 103 1HB ALA 103 -8.794 9.009 4.785 740 HB2 ALA 103 2HB ALA 103 -8.881 7.697 5.962 741 HB3 ALA 103 3HB ALA 103 -8.523 7.342 4.272 742 H PHE 104 H PHE 104 -10.369 8.112 2.148 743 HA PHE 104 HA PHE 104 -10.945 5.281 1.583 744 HB2 PHE 104 1HB PHE 104 -12.236 7.729 0.506 745 HB3 PHE 104 2HB PHE 104 -11.917 6.432 -0.641 746 HD1 PHE 104 1HD PHE 104 -13.785 7.406 2.356 747 HD2 PHE 104 2HD PHE 104 -13.110 4.354 -0.534 748 HE1 PHE 104 1HE PHE 104 -15.820 6.246 3.110 749 HE2 PHE 104 2HE PHE 104 -15.146 3.191 0.215 750 HZ PHE 104 HZ PHE 104 -16.503 4.137 2.039 751 H VAL 105 H VAL 105 -8.997 4.528 0.994 752 HA VAL 105 HA VAL 105 -7.100 6.100 -0.473 753 HB VAL 105 HB VAL 105 -7.097 3.146 0.162 754 HG11 VAL 105 1HG1 VAL 105 -4.845 3.065 -0.524 755 HG12 VAL 105 2HG1 VAL 105 -5.698 3.917 -1.813 756 HG13 VAL 105 3HG1 VAL 105 -4.734 4.820 -0.644 757 HG21 VAL 105 3HG2 VAL 105 -5.178 4.167 1.715 758 HG22 VAL 105 1HG2 VAL 105 -6.246 5.568 1.636 759 HG23 VAL 105 2HG2 VAL 105 -6.856 4.027 2.241 760 H TYR 106 H TYR 106 -6.648 6.089 -2.611 761 HA TYR 106 HA TYR 106 -8.303 4.354 -4.323 762 HB2 TYR 106 1HB TYR 106 -7.292 7.144 -4.905 763 HB3 TYR 106 2HB TYR 106 -8.219 6.143 -6.017 764 HD1 TYR 106 1HD TYR 106 -10.162 5.007 -3.969 765 HD2 TYR 106 2HD TYR 106 -8.790 8.968 -4.699 766 HE1 TYR 106 1HE TYR 106 -12.253 5.898 -3.030 767 HE2 TYR 106 2HE TYR 106 -10.878 9.870 -3.759 768 HH TYR 106 HH TYR 106 -13.277 7.771 -2.265 769 H LEU 107 H LEU 107 -7.251 2.987 -5.601 770 HA LEU 107 HA LEU 107 -4.352 3.322 -5.919 771 HB2 LEU 107 1HB LEU 107 -5.968 0.864 -6.545 772 HB3 LEU 107 2HB LEU 107 -4.223 0.989 -6.330 773 HG LEU 107 HG LEU 107 -4.975 1.752 -3.892 774 HD11 LEU 107 1HD1 LEU 107 -6.876 -0.049 -3.419 775 HD12 LEU 107 2HD1 LEU 107 -7.326 0.388 -5.066 776 HD13 LEU 107 3HD1 LEU 107 -7.239 1.630 -3.818 777 HD21 LEU 107 3HD2 LEU 107 -3.995 -0.610 -5.110 778 HD22 LEU 107 1HD2 LEU 107 -5.162 -1.085 -3.876 779 HD23 LEU 107 2HD2 LEU 107 -3.788 -0.066 -3.444 780 H ARG 108 H ARG 108 -4.785 4.980 -7.568 781 HA ARG 108 HA ARG 108 -6.036 4.271 -10.030 782 HB2 ARG 108 1HB ARG 108 -4.130 6.533 -9.405 783 HB3 ARG 108 2HB ARG 108 -5.101 6.391 -10.864 784 HG2 ARG 108 1HG ARG 108 -6.508 6.321 -8.255 785 HG3 ARG 108 2HG ARG 108 -5.861 7.865 -8.810 786 HD2 ARG 108 1HD ARG 108 -8.088 7.753 -9.601 787 HD3 ARG 108 2HD ARG 108 -7.052 7.443 -10.992 788 HE ARG 108 HE ARG 108 -7.773 5.002 -9.788 789 HH11 ARG 108 2HH1 ARG 108 -9.133 7.592 -11.673 790 HH12 ARG 108 1HH1 ARG 108 -10.339 6.594 -12.415 791 HH21 ARG 108 2HH2 ARG 108 -9.355 3.677 -10.759 792 HH22 ARG 108 1HH2 ARG 108 -10.465 4.366 -11.894 793 H GLN 109 H GLN 109 -2.620 4.894 -9.203 794 HA GLN 109 HA GLN 109 -1.855 2.920 -11.237 795 HB2 GLN 109 1HB GLN 109 -0.059 4.344 -12.031 796 HB3 GLN 109 2HB GLN 109 -1.595 5.186 -12.188 797 HG2 GLN 109 1HG GLN 109 0.001 5.621 -9.723 798 HG3 GLN 109 2HG GLN 109 0.548 6.369 -11.222 799 HE21 GLN 109 1HE2 GLN 109 -0.116 7.992 -9.206 800 HE22 GLN 109 2HE2 GLN 109 -1.619 8.785 -9.517 801 HA PRO 110 HA PRO 110 0.675 1.291 -8.024 802 HB2 PRO 110 1HB PRO 110 2.422 -0.129 -9.541 803 HB3 PRO 110 2HB PRO 110 0.750 -0.637 -9.270 804 HG2 PRO 110 1HG PRO 110 1.942 0.775 -11.626 805 HG3 PRO 110 2HG PRO 110 0.779 -0.564 -11.594 806 HD2 PRO 110 1HD PRO 110 0.031 2.005 -12.009 807 HD3 PRO 110 2HD PRO 110 -1.007 0.831 -11.176 808 H TYR 111 H TYR 111 3.340 0.725 -8.119 809 HA TYR 111 HA TYR 111 4.730 3.180 -8.888 810 HB2 TYR 111 1HB TYR 111 4.068 3.615 -6.599 811 HB3 TYR 111 2HB TYR 111 4.693 2.052 -6.082 812 HD1 TYR 111 1HD TYR 111 5.587 5.453 -7.130 813 HD2 TYR 111 2HD TYR 111 7.065 1.704 -5.766 814 HE1 TYR 111 1HE TYR 111 7.766 6.491 -6.658 815 HE2 TYR 111 2HE TYR 111 9.248 2.731 -5.289 816 HH TYR 111 HH TYR 111 10.490 4.989 -6.355 817 H TYR 112 H TYR 112 6.398 2.551 -10.069 818 HA TYR 112 HA TYR 112 7.580 -0.082 -9.635 819 HB2 TYR 112 1HB TYR 112 8.336 1.853 -11.813 820 HB3 TYR 112 2HB TYR 112 8.514 0.102 -11.796 821 HD1 TYR 112 1HD TYR 112 6.034 -1.046 -11.254 822 HD2 TYR 112 2HD TYR 112 6.784 2.583 -13.343 823 HE1 TYR 112 1HE TYR 112 3.883 -1.280 -12.423 824 HE2 TYR 112 2HE TYR 112 4.634 2.360 -14.516 825 HH TYR 112 HH TYR 112 2.330 -0.143 -13.670 826 H SER 113 H SER 113 8.677 3.285 -10.027 827 HA SER 113 HA SER 113 10.523 3.163 -7.904 828 HB2 SER 113 1HB SER 113 12.629 3.048 -9.045 829 HB3 SER 113 2HB SER 113 11.679 1.658 -9.568 830 HG SER 113 HG SER 113 12.620 3.778 -11.016 831 H GLY 114 H GLY 114 12.040 5.094 -7.941 832 HA2 GLY 114 1HA GLY 114 10.567 7.362 -9.100 833 HA3 GLY 114 2HA GLY 114 11.634 7.443 -7.705 834 HA PRO 115 HA PRO 115 13.801 8.274 -11.937 835 HB2 PRO 115 1HB PRO 115 13.309 10.918 -12.306 836 HB3 PRO 115 2HB PRO 115 12.287 9.647 -12.988 837 HG2 PRO 115 1HG PRO 115 11.871 11.293 -10.522 838 HG3 PRO 115 2HG PRO 115 10.700 10.835 -11.772 839 HD2 PRO 115 1HD PRO 115 10.860 9.560 -9.389 840 HD3 PRO 115 2HD PRO 115 10.386 8.730 -10.886 841 H SER 116 H SER 116 15.903 8.633 -11.629 842 HA SER 116 HA SER 116 17.029 9.510 -9.260 843 HB2 SER 116 1HB SER 116 18.289 8.230 -10.920 844 HB3 SER 116 2HB SER 116 18.236 9.594 -12.037 845 HG SER 116 HG SER 116 19.290 10.739 -10.140 846 H SER 117 H SER 117 16.012 11.422 -8.589 847 HA SER 117 HA SER 117 15.717 13.667 -8.359 848 HB2 SER 117 1HB SER 117 18.440 13.460 -9.598 849 HB3 SER 117 2HB SER 117 17.721 15.048 -9.337 850 HG SER 117 HG SER 117 17.721 13.194 -7.236 851 H GLY 118 H GLY 118 14.372 12.498 -10.534 852 HA2 GLY 118 1HA GLY 118 13.082 13.208 -12.302 853 HA3 GLY 118 2HA GLY 118 13.710 14.827 -12.029 854 H1 MET 1 H MET 1 16.316 12.451 17.553 855 HA MET 1 HA MET 1 14.177 10.829 18.177 856 HB2 MET 1 1HB MET 1 14.093 13.066 17.032 857 HB3 MET 1 2HB MET 1 14.534 12.252 15.537 858 HG2 MET 1 1HG MET 1 12.504 10.903 15.670 859 HG3 MET 1 2HG MET 1 12.064 11.715 17.170 860 HE1 MET 1 3HE MET 1 12.508 11.579 13.633 861 HE2 MET 1 1HE MET 1 11.005 12.364 13.147 862 HE3 MET 1 2HE MET 1 12.531 13.237 13.031 863 H ASP 2 H ASP 2 13.943 8.720 17.872 864 HA ASP 2 HA ASP 2 14.420 7.594 15.230 865 HB2 ASP 2 1HB ASP 2 16.545 7.281 16.492 866 HB3 ASP 2 2HB ASP 2 15.653 6.366 17.703 867 H ASN 3 H ASN 3 12.783 6.317 14.680 868 HA ASN 3 HA ASN 3 11.470 4.627 16.623 869 HB2 ASN 3 1HB ASN 3 9.260 5.533 16.370 870 HB3 ASN 3 2HB ASN 3 10.327 6.855 16.837 871 HD21 ASN 3 1HD2 ASN 3 7.837 6.119 14.923 872 HD22 ASN 3 2HD2 ASN 3 8.088 7.239 13.631 873 H GLN 4 H GLN 4 11.354 2.744 15.611 874 HA GLN 4 HA GLN 4 11.037 2.692 12.700 875 HB2 GLN 4 1HB GLN 4 12.911 1.435 13.847 876 HB3 GLN 4 2HB GLN 4 11.683 0.370 14.517 877 HG2 GLN 4 1HG GLN 4 12.797 -0.523 12.497 878 HG3 GLN 4 2HG GLN 4 11.046 -0.382 12.345 879 HE21 GLN 4 1HE2 GLN 4 14.038 0.407 11.011 880 HE22 GLN 4 2HE2 GLN 4 13.487 1.492 9.786 881 H GLY 5 H GLY 5 9.552 1.184 11.716 882 HA2 GLY 5 1HA GLY 5 7.634 -0.162 11.673 883 HA3 GLY 5 2HA GLY 5 7.440 0.097 13.400 884 H VAL 6 H VAL 6 6.506 1.077 10.266 885 HA VAL 6 HA VAL 6 5.352 3.598 11.052 886 HB VAL 6 HB VAL 6 4.458 3.714 8.806 887 HG11 VAL 6 1HG1 VAL 6 7.288 2.704 8.985 888 HG12 VAL 6 2HG1 VAL 6 6.595 3.375 7.507 889 HG13 VAL 6 3HG1 VAL 6 6.729 4.377 8.953 890 HG21 VAL 6 3HG2 VAL 6 5.062 0.799 8.806 891 HG22 VAL 6 1HG2 VAL 6 3.656 1.662 8.183 892 HG23 VAL 6 2HG2 VAL 6 5.172 1.685 7.285 893 H ILE 7 H ILE 7 3.181 4.081 11.316 894 HA ILE 7 HA ILE 7 1.574 2.068 12.491 895 HB ILE 7 HB ILE 7 0.686 4.785 11.519 896 HG12 ILE 7 1HG1 ILE 7 2.676 4.751 13.104 897 HG13 ILE 7 2HG1 ILE 7 1.274 5.671 13.643 898 HG21 ILE 7 1HG2 ILE 7 -1.212 3.444 11.988 899 HG22 ILE 7 2HG2 ILE 7 -0.488 2.816 13.466 900 HG23 ILE 7 3HG2 ILE 7 -0.988 4.504 13.379 901 HD11 ILE 7 3HD1 ILE 7 0.906 4.323 15.394 902 HD12 ILE 7 1HD1 ILE 7 1.337 2.865 14.502 903 HD13 ILE 7 2HD1 ILE 7 2.603 3.898 15.167 904 H PTR 8 H PTR 8 -0.510 1.323 11.801 905 HA PTR 8 HA PTR 8 -0.829 1.294 8.871 906 HB2 PTR 8 2HB PTR 8 -1.118 -0.927 10.880 907 HB3 PTR 8 3HB PTR 8 -1.925 -1.002 9.317 908 HD1 PTR 8 1HD PTR 8 1.468 -0.363 10.752 909 HD2 PTR 8 2HD PTR 8 -0.814 -2.017 7.564 910 HE1 PTR 8 1HE PTR 8 3.530 -1.240 9.738 911 HE2 PTR 8 2HE PTR 8 1.243 -2.900 6.542 912 H SER 9 H SER 9 -2.711 2.015 8.128 913 HA SER 9 HA SER 9 -4.766 2.825 9.981 914 HB2 SER 9 1HB SER 9 -4.272 3.189 7.052 915 HB3 SER 9 2HB SER 9 -5.897 3.453 7.681 916 HG SER 9 HG SER 9 -3.572 4.917 8.079 917 H ASP 10 H ASP 10 -6.274 1.480 10.682 918 HA ASP 10 HA ASP 10 -6.819 -1.027 9.450 919 HB2 ASP 10 1HB ASP 10 -7.805 0.460 11.822 920 HB3 ASP 10 2HB ASP 10 -8.879 -0.768 11.158 921 H LEU 11 H LEU 11 -9.423 -1.496 9.396 922 HA LEU 11 HA LEU 11 -10.480 0.429 7.431 923 HB2 LEU 11 1HB LEU 11 -10.734 -2.564 7.585 924 HB3 LEU 11 2HB LEU 11 -11.773 -1.571 6.565 925 HG LEU 11 HG LEU 11 -10.071 -1.079 5.082 926 HD11 LEU 11 1HD1 LEU 11 -8.166 -1.734 7.315 927 HD12 LEU 11 2HD1 LEU 11 -8.429 -0.179 6.528 928 HD13 LEU 11 3HD1 LEU 11 -7.650 -1.492 5.645 929 HD21 LEU 11 3HD2 LEU 11 -10.656 -3.578 5.303 930 HD22 LEU 11 1HD2 LEU 11 -9.046 -3.739 6.006 931 HD23 LEU 11 2HD2 LEU 11 -9.233 -3.126 4.363 932 H ASN 12 H ASN 12 -13.027 -0.278 7.175 933 HA ASN 12 HA ASN 12 -14.195 0.606 9.643 934 HB2 ASN 12 1HB ASN 12 -16.179 0.908 8.437 935 HB3 ASN 12 2HB ASN 12 -14.928 1.192 7.231 936 HD21 ASN 12 1HD2 ASN 12 -14.492 -0.441 5.691 937 HD22 ASN 12 2HD2 ASN 12 -15.684 -1.628 5.298 938 H LEU 13 H LEU 13 -14.612 -2.302 7.622 939 HA LEU 13 HA LEU 13 -16.361 -3.760 9.083 940 HB2 LEU 13 1HB LEU 13 -13.963 -5.264 8.245 941 HB3 LEU 13 2HB LEU 13 -15.666 -5.575 7.920 942 HG LEU 13 HG LEU 13 -15.357 -3.442 6.360 943 HD11 LEU 13 1HD1 LEU 13 -12.616 -4.697 6.416 944 HD12 LEU 13 2HD1 LEU 13 -13.026 -3.078 6.984 945 HD13 LEU 13 3HD1 LEU 13 -13.177 -3.476 5.273 946 HD21 LEU 13 3HD2 LEU 13 -15.183 -4.926 4.516 947 HD22 LEU 13 1HD2 LEU 13 -16.071 -5.784 5.776 948 HD23 LEU 13 2HD2 LEU 13 -14.369 -6.151 5.493 949 HA PRO 14 HA PRO 14 -12.830 -5.317 12.020 950 HB2 PRO 14 1HB PRO 14 -10.540 -3.858 12.035 951 HB3 PRO 14 2HB PRO 14 -10.792 -5.239 10.960 952 HG2 PRO 14 1HG PRO 14 -11.059 -2.314 10.380 953 HG3 PRO 14 2HG PRO 14 -10.317 -3.587 9.394 954 HD2 PRO 14 1HD PRO 14 -12.808 -2.639 8.916 955 HD3 PRO 14 2HD PRO 14 -12.349 -4.323 8.592 956 HA PRO 15 HA PRO 15 -13.999 -2.417 15.132 957 HB2 PRO 15 1HB PRO 15 -12.655 -3.476 17.240 958 HB3 PRO 15 2HB PRO 15 -14.107 -4.216 16.557 959 HG2 PRO 15 1HG PRO 15 -11.233 -4.917 16.102 960 HG3 PRO 15 2HG PRO 15 -12.619 -5.992 16.363 961 HD2 PRO 15 1HD PRO 15 -11.598 -5.503 13.904 962 HD3 PRO 15 2HD PRO 15 -13.323 -5.822 14.174 Start of MODEL 6 1 H1 GLY 1 H GLY 1 15.229 -6.923 -27.929 2 HA2 GLY 1 1HA GLY 1 12.654 -6.872 -28.591 3 HA3 GLY 1 2HA GLY 1 13.230 -7.985 -27.359 4 H SER 2 H SER 2 10.631 -6.570 -27.707 5 HA SER 2 HA SER 2 10.179 -4.472 -26.022 6 HB2 SER 2 1HB SER 2 8.553 -6.831 -26.834 7 HB3 SER 2 2HB SER 2 7.954 -5.855 -25.494 8 HG SER 2 HG SER 2 7.176 -5.092 -27.496 9 H SER 3 H SER 3 9.428 -4.310 -23.828 10 HA SER 3 HA SER 3 10.713 -6.296 -22.082 11 HB2 SER 3 1HB SER 3 9.942 -3.429 -21.481 12 HB3 SER 3 2HB SER 3 10.788 -4.521 -20.385 13 HG SER 3 HG SER 3 12.000 -2.935 -21.862 14 H GLY 4 H GLY 4 9.624 -7.191 -20.346 15 HA2 GLY 4 1HA GLY 4 6.875 -6.414 -19.814 16 HA3 GLY 4 2HA GLY 4 7.084 -8.015 -20.510 17 H SER 5 H SER 5 6.161 -8.904 -18.596 18 HA SER 5 HA SER 5 6.205 -9.850 -16.526 19 HB2 SER 5 1HB SER 5 9.204 -9.654 -16.893 20 HB3 SER 5 2HB SER 5 8.363 -10.717 -15.764 21 HG SER 5 HG SER 5 7.650 -11.935 -17.419 22 H SER 6 H SER 6 5.707 -7.194 -16.392 23 HA SER 6 HA SER 6 7.336 -6.249 -14.127 24 HB2 SER 6 1HB SER 6 6.675 -3.985 -14.720 25 HB3 SER 6 2HB SER 6 7.360 -4.781 -16.136 26 HG SER 6 HG SER 6 5.517 -3.858 -16.855 27 H GLY 7 H GLY 7 5.966 -4.632 -12.728 28 HA2 GLY 7 1HA GLY 7 3.215 -4.891 -12.432 29 HA3 GLY 7 2HA GLY 7 3.940 -6.178 -11.481 30 H TRP 8 H TRP 8 2.831 -4.999 -9.716 31 HA TRP 8 HA TRP 8 4.337 -2.632 -8.832 32 HB2 TRP 8 1HB TRP 8 2.273 -2.686 -7.117 33 HB3 TRP 8 2HB TRP 8 2.184 -1.897 -8.690 34 HD1 TRP 8 HD TRP 8 0.004 -2.455 -9.884 35 HE1 TRP 8 1HE TRP 8 -1.569 -4.488 -10.024 36 HE3 TRP 8 3HE TRP 8 2.529 -5.649 -6.793 37 HZ2 TRP 8 2HZ TRP 8 -1.719 -7.099 -8.964 38 HZ3 TRP 8 3HZ TRP 8 1.604 -7.896 -6.408 39 HH2 TRP 8 HH TRP 8 -0.477 -8.604 -7.471 40 H TYR 9 H TYR 9 5.271 -5.397 -8.591 41 HA TYR 9 HA TYR 9 5.186 -5.783 -5.680 42 HB2 TYR 9 1HB TYR 9 4.692 -7.642 -7.489 43 HB3 TYR 9 2HB TYR 9 6.448 -7.766 -7.527 44 HD1 TYR 9 1HD TYR 9 3.492 -8.014 -5.305 45 HD2 TYR 9 2HD TYR 9 7.621 -8.900 -5.820 46 HE1 TYR 9 1HE TYR 9 3.427 -9.453 -3.311 47 HE2 TYR 9 2HE TYR 9 7.567 -10.342 -3.829 48 HH TYR 9 HH TYR 9 6.350 -10.899 -1.992 49 H HIS 10 H HIS 10 6.840 -5.057 -4.535 50 HA HIS 10 HA HIS 10 9.386 -4.516 -5.875 51 HB2 HIS 10 1HB HIS 10 8.217 -3.596 -3.251 52 HB3 HIS 10 2HB HIS 10 9.896 -3.303 -3.693 53 HD1 HIS 10 1HD HIS 10 10.342 -1.252 -5.027 54 HD2 HIS 10 2HD HIS 10 6.337 -2.351 -5.134 55 HE1 HIS 10 1HE HIS 10 9.166 0.608 -6.245 56 HE2 HIS 10 2HE HIS 10 6.731 -0.038 -6.223 57 H GLY 11 H GLY 11 8.393 -5.743 -2.668 58 HA2 GLY 11 1HA GLY 11 9.099 -8.029 -2.065 59 HA3 GLY 11 2HA GLY 11 10.625 -7.672 -2.859 60 H HIS 12 H HIS 12 12.210 -7.421 -1.447 61 HA HIS 12 HA HIS 12 11.847 -6.998 1.303 62 HB2 HIS 12 1HB HIS 12 14.255 -6.725 -0.492 63 HB3 HIS 12 2HB HIS 12 14.345 -6.447 1.245 64 HD1 HIS 12 1HD HIS 12 14.191 -8.503 2.786 65 HD2 HIS 12 2HD HIS 12 13.936 -9.407 -1.261 66 HE1 HIS 12 1HE HIS 12 14.458 -10.999 2.636 67 HE2 HIS 12 2HE HIS 12 14.385 -11.513 0.171 68 H MET 13 H MET 13 11.144 -5.223 2.274 69 HA MET 13 HA MET 13 12.351 -2.670 1.739 70 HB2 MET 13 1HB MET 13 10.479 -2.962 0.015 71 HB3 MET 13 2HB MET 13 9.366 -2.829 1.369 72 HG2 MET 13 1HG MET 13 9.418 -0.663 0.687 73 HG3 MET 13 2HG MET 13 10.736 -0.644 1.857 74 HE1 MET 13 3HE MET 13 9.976 0.342 -1.981 75 HE2 MET 13 1HE MET 13 11.100 -0.817 -2.693 76 HE3 MET 13 2HE MET 13 9.769 -1.385 -1.683 77 H SER 14 H SER 14 11.870 -1.099 3.345 78 HA SER 14 HA SER 14 10.732 -2.277 5.788 79 HB2 SER 14 1HB SER 14 12.670 0.033 5.502 80 HB3 SER 14 2HB SER 14 12.094 -0.648 7.024 81 HG SER 14 HG SER 14 13.034 -2.649 5.586 82 H GLY 15 H GLY 15 9.259 -1.131 7.037 83 HA2 GLY 15 1HA GLY 15 7.250 0.260 5.862 84 HA3 GLY 15 2HA GLY 15 7.690 0.486 7.549 85 H GLY 16 H GLY 16 9.510 2.051 7.945 86 HA2 GLY 16 1HA GLY 16 8.902 4.586 7.159 87 HA3 GLY 16 2HA GLY 16 10.521 4.102 7.640 88 H GLN 17 H GLN 17 10.659 2.224 5.310 89 HA GLN 17 HA GLN 17 11.917 3.992 3.497 90 HB2 GLN 17 1HB GLN 17 12.209 1.397 3.942 91 HB3 GLN 17 2HB GLN 17 11.056 1.273 2.621 92 HG2 GLN 17 1HG GLN 17 13.337 1.104 1.815 93 HG3 GLN 17 2HG GLN 17 12.545 2.547 1.182 94 HE21 GLN 17 1HE2 GLN 17 13.263 4.556 1.797 95 HE22 GLN 17 2HE2 GLN 17 14.735 4.803 2.666 96 H ALA 18 H ALA 18 9.119 1.858 2.895 97 HA ALA 18 HA ALA 18 8.261 2.692 0.496 98 HB1 ALA 18 1HB ALA 18 6.415 1.546 0.983 99 HB2 ALA 18 2HB ALA 18 7.111 1.299 2.585 100 HB3 ALA 18 3HB ALA 18 5.993 2.633 2.306 101 H GLU 19 H GLU 19 7.465 4.368 3.538 102 HA GLU 19 HA GLU 19 5.889 6.398 2.606 103 HB2 GLU 19 1HB GLU 19 7.831 6.167 4.846 104 HB3 GLU 19 2HB GLU 19 7.261 7.780 4.439 105 HG2 GLU 19 1HG GLU 19 4.910 6.790 4.592 106 HG3 GLU 19 2HG GLU 19 5.681 5.423 5.396 107 H THR 20 H THR 20 9.443 6.393 2.736 108 HA THR 20 HA THR 20 9.834 8.941 1.635 109 HB THR 20 HB THR 20 11.668 6.549 1.382 110 HG1 THR 20 1HG THR 20 12.644 7.695 3.278 111 HG21 THR 20 3HG2 THR 20 12.573 8.127 -0.050 112 HG22 THR 20 1HG2 THR 20 13.372 8.524 1.471 113 HG23 THR 20 2HG2 THR 20 12.002 9.486 0.917 114 H LEU 21 H LEU 21 10.263 5.801 -0.013 115 HA LEU 21 HA LEU 21 10.616 6.671 -2.575 116 HB2 LEU 21 1HB LEU 21 8.967 4.288 -1.745 117 HB3 LEU 21 2HB LEU 21 9.703 4.539 -3.327 118 HG LEU 21 HG LEU 21 11.914 4.644 -1.853 119 HD11 LEU 21 1HD1 LEU 21 11.139 2.476 -0.272 120 HD12 LEU 21 2HD1 LEU 21 9.903 3.709 -0.023 121 HD13 LEU 21 3HD1 LEU 21 11.600 4.089 0.271 122 HD21 LEU 21 3HD2 LEU 21 12.103 2.155 -2.240 123 HD22 LEU 21 1HD2 LEU 21 11.707 3.128 -3.656 124 HD23 LEU 21 2HD2 LEU 21 10.443 2.210 -2.836 125 H LEU 22 H LEU 22 7.472 5.926 -1.071 126 HA LEU 22 HA LEU 22 5.873 6.662 -3.244 127 HB2 LEU 22 1HB LEU 22 5.432 6.422 -0.304 128 HB3 LEU 22 2HB LEU 22 4.179 7.157 -1.302 129 HG LEU 22 HG LEU 22 5.289 4.396 -1.782 130 HD11 LEU 22 1HD1 LEU 22 2.648 5.002 -0.497 131 HD12 LEU 22 2HD1 LEU 22 4.111 4.768 0.459 132 HD13 LEU 22 3HD1 LEU 22 3.517 3.469 -0.575 133 HD21 LEU 22 3HD2 LEU 22 4.283 4.908 -3.754 134 HD22 LEU 22 1HD2 LEU 22 3.205 6.099 -3.026 135 HD23 LEU 22 2HD2 LEU 22 2.857 4.378 -2.861 136 H GLN 23 H GLN 23 6.252 8.555 -0.243 137 HA GLN 23 HA GLN 23 5.135 10.901 -0.990 138 HB2 GLN 23 1HB GLN 23 7.560 10.367 0.704 139 HB3 GLN 23 2HB GLN 23 6.972 12.006 0.456 140 HG2 GLN 23 1HG GLN 23 4.752 11.252 1.321 141 HG3 GLN 23 2HG GLN 23 5.508 9.714 1.737 142 HE21 GLN 23 1HE2 GLN 23 4.331 11.137 3.693 143 HE22 GLN 23 2HE2 GLN 23 5.517 11.828 4.744 144 H ALA 24 H ALA 24 8.430 9.854 -1.760 145 HA ALA 24 HA ALA 24 9.372 12.169 -2.967 146 HB1 ALA 24 1HB ALA 24 10.198 9.458 -2.751 147 HB2 ALA 24 2HB ALA 24 10.379 9.964 -4.431 148 HB3 ALA 24 3HB ALA 24 11.166 10.879 -3.146 149 H LYS 25 H LYS 25 7.455 9.534 -4.343 150 HA LYS 25 HA LYS 25 7.523 10.332 -7.021 151 HB2 LYS 25 1HB LYS 25 6.685 8.155 -6.401 152 HB3 LYS 25 2HB LYS 25 5.380 8.875 -5.466 153 HG2 LYS 25 1HG LYS 25 4.289 8.266 -7.388 154 HG3 LYS 25 2HG LYS 25 4.708 9.943 -7.744 155 HD2 LYS 25 1HD LYS 25 6.652 7.826 -8.505 156 HD3 LYS 25 2HD LYS 25 5.181 7.983 -9.466 157 HE2 LYS 25 1HE LYS 25 5.762 10.038 -10.272 158 HE3 LYS 25 2HE LYS 25 6.691 10.459 -8.835 159 HZ1 LYS 25 3HZ LYS 25 7.900 8.275 -10.154 160 HZ2 LYS 25 1HZ LYS 25 8.538 9.810 -9.838 161 HZ3 LYS 25 2HZ LYS 25 7.663 9.534 -11.259 162 H GLY 26 H GLY 26 5.476 11.372 -4.351 163 HA2 GLY 26 1HA GLY 26 4.092 13.191 -4.133 164 HA3 GLY 26 2HA GLY 26 4.909 13.869 -5.533 165 H GLU 27 H GLU 27 3.289 10.794 -5.725 166 HA GLU 27 HA GLU 27 1.203 12.062 -7.375 167 HB2 GLU 27 1HB GLU 27 2.691 9.476 -7.667 168 HB3 GLU 27 2HB GLU 27 1.080 9.640 -8.353 169 HG2 GLU 27 1HG GLU 27 2.072 11.812 -9.411 170 HG3 GLU 27 2HG GLU 27 3.612 11.010 -9.113 171 HA PRO 28 HA PRO 28 -1.551 10.578 -4.209 172 HB2 PRO 28 1HB PRO 28 -3.838 11.412 -5.412 173 HB3 PRO 28 2HB PRO 28 -2.744 12.510 -4.562 174 HG2 PRO 28 1HG PRO 28 -2.989 11.977 -7.498 175 HG3 PRO 28 2HG PRO 28 -2.792 13.524 -6.655 176 HD2 PRO 28 1HD PRO 28 -0.730 12.248 -7.860 177 HD3 PRO 28 2HD PRO 28 -0.518 13.241 -6.404 178 H TRP 29 H TRP 29 -2.740 8.754 -3.911 179 HA TRP 29 HA TRP 29 -3.822 6.794 -4.346 180 HB2 TRP 29 1HB TRP 29 -4.034 7.552 -7.251 181 HB3 TRP 29 2HB TRP 29 -5.118 6.545 -6.294 182 HD1 TRP 29 HD TRP 29 -5.500 9.539 -7.969 183 HE1 TRP 29 1HE TRP 29 -6.969 11.263 -6.747 184 HE3 TRP 29 3HE TRP 29 -5.328 7.559 -3.258 185 HZ2 TRP 29 2HZ TRP 29 -7.927 11.725 -4.132 186 HZ3 TRP 29 3HZ TRP 29 -6.547 8.704 -1.453 187 HH2 TRP 29 HH TRP 29 -7.819 10.743 -1.883 188 H THR 30 H THR 30 -0.912 7.240 -4.708 189 HA THR 30 HA THR 30 -0.181 5.323 -6.773 190 HB THR 30 HB THR 30 1.549 6.898 -4.857 191 HG1 THR 30 1HG THR 30 0.468 8.121 -6.520 192 HG21 THR 30 3HG2 THR 30 2.954 5.161 -5.365 193 HG22 THR 30 1HG2 THR 30 3.261 6.202 -6.755 194 HG23 THR 30 2HG2 THR 30 2.165 4.829 -6.906 195 H PHE 31 H PHE 31 -0.811 3.318 -6.090 196 HA PHE 31 HA PHE 31 -0.088 2.416 -3.417 197 HB2 PHE 31 1HB PHE 31 -1.497 0.557 -3.793 198 HB3 PHE 31 2HB PHE 31 -2.326 1.914 -4.548 199 HD1 PHE 31 1HD PHE 31 -2.284 2.160 -7.016 200 HD2 PHE 31 2HD PHE 31 -0.768 -1.301 -5.057 201 HE1 PHE 31 1HE PHE 31 -2.384 0.919 -9.139 202 HE2 PHE 31 2HE PHE 31 -0.865 -2.547 -7.176 203 HZ PHE 31 HZ PHE 31 -1.673 -1.438 -9.220 204 H LEU 32 H LEU 32 0.904 0.216 -3.206 205 HA LEU 32 HA LEU 32 2.476 -0.845 -5.323 206 HB2 LEU 32 1HB LEU 32 4.648 -0.229 -4.665 207 HB3 LEU 32 2HB LEU 32 3.711 1.264 -4.711 208 HG LEU 32 HG LEU 32 3.440 0.771 -2.133 209 HD11 LEU 32 1HD1 LEU 32 5.517 -1.092 -3.007 210 HD12 LEU 32 2HD1 LEU 32 4.550 -1.076 -1.532 211 HD13 LEU 32 3HD1 LEU 32 5.990 -0.066 -1.653 212 HD21 LEU 32 3HD2 LEU 32 5.764 1.999 -3.580 213 HD22 LEU 32 1HD2 LEU 32 5.652 2.030 -1.819 214 HD23 LEU 32 2HD2 LEU 32 4.398 2.794 -2.797 215 H VAL 33 H VAL 33 3.143 -2.886 -4.865 216 HA VAL 33 HA VAL 33 2.439 -3.917 -2.215 217 HB VAL 33 HB VAL 33 3.111 -5.482 -4.708 218 HG11 VAL 33 1HG1 VAL 33 3.400 -6.651 -2.534 219 HG12 VAL 33 2HG1 VAL 33 1.693 -6.356 -2.195 220 HG13 VAL 33 3HG1 VAL 33 2.159 -7.367 -3.564 221 HG21 VAL 33 3HG2 VAL 33 0.589 -4.241 -3.767 222 HG22 VAL 33 1HG2 VAL 33 1.162 -4.544 -5.407 223 HG23 VAL 33 2HG2 VAL 33 0.487 -5.863 -4.451 224 H ARG 34 H ARG 34 3.859 -5.094 -0.950 225 HA ARG 34 HA ARG 34 6.550 -5.626 -1.830 226 HB2 ARG 34 1HB ARG 34 7.644 -4.261 -0.106 227 HB3 ARG 34 2HB ARG 34 6.749 -3.265 -1.247 228 HG2 ARG 34 1HG ARG 34 4.857 -3.294 0.453 229 HG3 ARG 34 2HG ARG 34 6.042 -3.945 1.588 230 HD2 ARG 34 1HD ARG 34 7.472 -1.983 1.182 231 HD3 ARG 34 2HD ARG 34 6.247 -1.332 0.095 232 HE ARG 34 HE ARG 34 4.973 -0.732 1.920 233 HH11 ARG 34 2HH1 ARG 34 7.621 -2.756 2.927 234 HH12 ARG 34 1HH1 ARG 34 7.382 -2.452 4.615 235 HH21 ARG 34 2HH2 ARG 34 4.649 -0.324 4.140 236 HH22 ARG 34 1HH2 ARG 34 5.690 -1.069 5.305 237 H GLU 35 H GLU 35 6.908 -7.594 -1.065 238 HA GLU 35 HA GLU 35 5.509 -9.089 0.659 239 HB2 GLU 35 1HB GLU 35 7.807 -9.510 -0.619 240 HB3 GLU 35 2HB GLU 35 8.461 -9.279 0.997 241 HG2 GLU 35 1HG GLU 35 6.533 -11.013 1.589 242 HG3 GLU 35 2HG GLU 35 6.807 -11.476 -0.088 243 H SER 36 H SER 36 5.685 -9.698 2.889 244 HA SER 36 HA SER 36 5.732 -7.496 4.649 245 HB2 SER 36 1HB SER 36 5.694 -9.370 6.432 246 HB3 SER 36 2HB SER 36 4.337 -9.267 5.310 247 HG SER 36 HG SER 36 6.008 -11.305 5.714 248 H LEU 37 H LEU 37 7.027 -8.041 6.890 249 HA LEU 37 HA LEU 37 9.860 -8.165 6.091 250 HB2 LEU 37 1HB LEU 37 8.374 -6.408 7.965 251 HB3 LEU 37 2HB LEU 37 10.020 -6.861 8.402 252 HG LEU 37 HG LEU 37 9.210 -5.449 5.860 253 HD11 LEU 37 1HD1 LEU 37 9.103 -3.659 7.192 254 HD12 LEU 37 2HD1 LEU 37 10.860 -3.781 7.269 255 HD13 LEU 37 3HD1 LEU 37 9.871 -4.500 8.539 256 HD21 LEU 37 3HD2 LEU 37 11.142 -6.589 5.295 257 HD22 LEU 37 1HD2 LEU 37 11.811 -6.473 6.922 258 HD23 LEU 37 2HD2 LEU 37 11.775 -5.050 5.881 259 H SER 38 H SER 38 7.947 -8.480 9.088 260 HA SER 38 HA SER 38 9.410 -10.974 9.646 261 HB2 SER 38 1HB SER 38 8.807 -8.683 11.513 262 HB3 SER 38 2HB SER 38 9.185 -10.300 12.108 263 HG SER 38 HG SER 38 11.031 -8.901 11.932 264 H GLN 39 H GLN 39 6.918 -10.840 8.367 265 HA GLN 39 HA GLN 39 5.150 -11.938 10.452 266 HB2 GLN 39 1HB GLN 39 4.335 -10.457 7.945 267 HB3 GLN 39 2HB GLN 39 3.231 -11.178 9.110 268 HG2 GLN 39 1HG GLN 39 3.196 -9.011 9.803 269 HG3 GLN 39 2HG GLN 39 4.510 -9.634 10.800 270 HE21 GLN 39 1HE2 GLN 39 3.763 -7.860 7.861 271 HE22 GLN 39 2HE2 GLN 39 5.251 -6.984 7.789 272 HA PRO 40 HA PRO 40 5.243 -15.698 8.164 273 HB2 PRO 40 1HB PRO 40 2.967 -16.826 9.121 274 HB3 PRO 40 2HB PRO 40 4.450 -16.700 10.073 275 HG2 PRO 40 1HG PRO 40 2.011 -14.966 10.127 276 HG3 PRO 40 2HG PRO 40 2.969 -15.594 11.483 277 HD2 PRO 40 1HD PRO 40 3.228 -13.058 10.565 278 HD3 PRO 40 2HD PRO 40 4.588 -13.969 11.254 279 H GLY 41 H GLY 41 4.789 -15.897 6.066 280 HA2 GLY 41 1HA GLY 41 3.723 -15.439 4.046 281 HA3 GLY 41 2HA GLY 41 2.491 -16.425 4.822 282 H ASP 42 H ASP 42 3.642 -13.052 5.016 283 HA ASP 42 HA ASP 42 0.853 -12.185 4.669 284 HB2 ASP 42 1HB ASP 42 1.701 -12.084 7.088 285 HB3 ASP 42 2HB ASP 42 2.754 -10.783 6.541 286 H PHE 43 H PHE 43 0.771 -9.763 4.178 287 HA PHE 43 HA PHE 43 3.108 -8.837 2.687 288 HB2 PHE 43 1HB PHE 43 0.337 -8.997 1.484 289 HB3 PHE 43 2HB PHE 43 1.758 -8.304 0.711 290 HD1 PHE 43 1HD PHE 43 0.569 -11.489 2.234 291 HD2 PHE 43 2HD PHE 43 3.015 -9.616 -0.703 292 HE1 PHE 43 1HE PHE 43 1.129 -13.695 1.298 293 HE2 PHE 43 2HE PHE 43 3.578 -11.818 -1.644 294 HZ PHE 43 HZ PHE 43 2.634 -13.861 -0.644 295 H VAL 44 H VAL 44 2.605 -6.547 1.778 296 HA VAL 44 HA VAL 44 0.906 -5.044 3.642 297 HB VAL 44 HB VAL 44 3.763 -4.324 2.974 298 HG11 VAL 44 1HG1 VAL 44 1.751 -2.564 3.408 299 HG12 VAL 44 2HG1 VAL 44 2.316 -2.837 5.058 300 HG13 VAL 44 3HG1 VAL 44 3.439 -2.265 3.823 301 HG21 VAL 44 3HG2 VAL 44 2.585 -5.871 5.105 302 HG22 VAL 44 1HG2 VAL 44 4.285 -5.591 4.727 303 HG23 VAL 44 2HG2 VAL 44 3.407 -4.444 5.738 304 H LEU 45 H LEU 45 -0.187 -3.383 2.743 305 HA LEU 45 HA LEU 45 0.432 -2.727 -0.063 306 HB2 LEU 45 1HB LEU 45 -1.619 -3.895 -0.051 307 HB3 LEU 45 2HB LEU 45 -2.203 -3.005 1.354 308 HG LEU 45 HG LEU 45 -2.200 -0.947 -0.151 309 HD11 LEU 45 1HD1 LEU 45 -0.845 -1.688 -1.958 310 HD12 LEU 45 2HD1 LEU 45 -2.486 -1.505 -2.577 311 HD13 LEU 45 3HD1 LEU 45 -1.855 -3.111 -2.214 312 HD21 LEU 45 3HD2 LEU 45 -4.389 -1.307 -0.169 313 HD22 LEU 45 1HD2 LEU 45 -4.088 -2.987 0.275 314 HD23 LEU 45 2HD2 LEU 45 -4.212 -2.534 -1.425 315 H SER 46 H SER 46 1.479 -0.831 0.013 316 HA SER 46 HA SER 46 0.511 1.264 1.821 317 HB2 SER 46 1HB SER 46 3.026 1.287 0.143 318 HB3 SER 46 2HB SER 46 2.626 2.360 1.484 319 HG SER 46 HG SER 46 2.745 -0.422 1.884 320 H VAL 47 H VAL 47 -0.227 3.222 1.110 321 HA VAL 47 HA VAL 47 -0.258 3.762 -1.765 322 HB VAL 47 HB VAL 47 -2.739 3.634 -0.048 323 HG11 VAL 47 1HG1 VAL 47 -3.198 5.524 -1.264 324 HG12 VAL 47 2HG1 VAL 47 -2.197 5.024 -2.627 325 HG13 VAL 47 3HG1 VAL 47 -3.776 4.280 -2.371 326 HG21 VAL 47 3HG2 VAL 47 -2.700 1.531 -0.846 327 HG22 VAL 47 1HG2 VAL 47 -3.262 2.274 -2.343 328 HG23 VAL 47 2HG2 VAL 47 -1.547 1.929 -2.119 329 H LEU 48 H LEU 48 -0.043 5.876 -2.247 330 HA LEU 48 HA LEU 48 0.305 7.727 -0.034 331 HB2 LEU 48 1HB LEU 48 1.900 7.473 -2.002 332 HB3 LEU 48 2HB LEU 48 0.683 8.321 -2.955 333 HG LEU 48 HG LEU 48 0.900 10.256 -1.414 334 HD11 LEU 48 1HD1 LEU 48 1.683 9.386 0.598 335 HD12 LEU 48 2HD1 LEU 48 3.084 10.230 -0.062 336 HD13 LEU 48 3HD1 LEU 48 2.972 8.474 -0.185 337 HD21 LEU 48 3HD2 LEU 48 2.098 10.640 -3.322 338 HD22 LEU 48 1HD2 LEU 48 3.131 9.229 -3.092 339 HD23 LEU 48 2HD2 LEU 48 3.400 10.684 -2.133 340 H SER 49 H SER 49 -1.676 8.352 0.691 341 HA SER 49 HA SER 49 -3.954 8.833 -0.833 342 HB2 SER 49 1HB SER 49 -4.671 10.273 1.128 343 HB3 SER 49 2HB SER 49 -4.182 8.629 1.536 344 HG SER 49 HG SER 49 -1.989 9.917 1.714 345 H ASP 50 H ASP 50 -5.003 10.869 -1.348 346 HA ASP 50 HA ASP 50 -3.148 12.707 -2.586 347 HB2 ASP 50 1HB ASP 50 -4.998 12.189 -3.949 348 HB3 ASP 50 2HB ASP 50 -6.142 12.406 -2.627 349 H GLN 51 H GLN 51 -4.211 12.441 0.460 350 HA GLN 51 HA GLN 51 -4.724 15.279 0.911 351 HB2 GLN 51 1HB GLN 51 -4.825 12.899 2.767 352 HB3 GLN 51 2HB GLN 51 -5.148 14.553 3.267 353 HG2 GLN 51 1HG GLN 51 -7.098 14.679 1.958 354 HG3 GLN 51 2HG GLN 51 -6.687 13.213 1.069 355 HE21 GLN 51 1HE2 GLN 51 -6.516 11.221 2.436 356 HE22 GLN 51 2HE2 GLN 51 -7.695 11.018 3.683 357 HA PRO 52 HA PRO 52 -0.333 15.687 1.753 358 HB2 PRO 52 1HB PRO 52 -0.388 18.394 1.967 359 HB3 PRO 52 2HB PRO 52 -0.381 17.552 0.412 360 HG2 PRO 52 1HG PRO 52 -2.684 18.735 1.915 361 HG3 PRO 52 2HG PRO 52 -2.320 18.814 0.182 362 HD2 PRO 52 1HD PRO 52 -4.143 17.096 1.211 363 HD3 PRO 52 2HD PRO 52 -3.167 16.708 -0.221 364 H LYS 53 H LYS 53 0.913 16.249 3.566 365 HA LYS 53 HA LYS 53 -0.294 15.895 6.068 366 HB2 LYS 53 1HB LYS 53 2.417 16.929 5.257 367 HB3 LYS 53 2HB LYS 53 1.954 16.749 6.943 368 HG2 LYS 53 1HG LYS 53 1.475 14.338 6.456 369 HG3 LYS 53 2HG LYS 53 2.202 14.589 4.866 370 HD2 LYS 53 1HD LYS 53 4.036 13.856 6.015 371 HD3 LYS 53 2HD LYS 53 4.171 15.588 6.325 372 HE2 LYS 53 1HE LYS 53 2.836 15.168 8.438 373 HE3 LYS 53 2HE LYS 53 3.097 13.449 8.149 374 HZ1 LYS 53 3HZ LYS 53 4.870 15.368 9.262 375 HZ2 LYS 53 1HZ LYS 53 5.575 14.619 7.918 376 HZ3 LYS 53 2HZ LYS 53 5.014 13.683 9.209 377 H ALA 54 H ALA 54 1.130 18.853 4.673 378 HA ALA 54 HA ALA 54 -0.547 20.414 6.530 379 HB1 ALA 54 1HB ALA 54 1.390 21.275 7.223 380 HB2 ALA 54 2HB ALA 54 2.276 20.604 5.854 381 HB3 ALA 54 3HB ALA 54 1.425 22.139 5.686 382 H GLY 55 H GLY 55 1.138 20.817 3.401 383 HA2 GLY 55 1HA GLY 55 -1.357 21.794 2.230 384 HA3 GLY 55 2HA GLY 55 0.007 22.903 2.247 385 HA PRO 56 HA PRO 56 0.249 20.685 -1.762 386 HB2 PRO 56 1HB PRO 56 1.170 22.838 -3.135 387 HB3 PRO 56 2HB PRO 56 -0.549 22.551 -2.839 388 HG2 PRO 56 1HG PRO 56 1.348 24.359 -1.390 389 HG3 PRO 56 2HG PRO 56 -0.322 24.667 -1.900 390 HD2 PRO 56 1HD PRO 56 0.325 24.002 0.644 391 HD3 PRO 56 2HD PRO 56 -1.214 23.529 -0.105 392 H GLY 57 H GLY 57 2.501 22.458 0.186 393 HA2 GLY 57 1HA GLY 57 4.797 21.586 -1.390 394 HA3 GLY 57 2HA GLY 57 4.839 22.631 0.022 395 H SER 58 H SER 58 2.976 20.507 1.295 396 HA SER 58 HA SER 58 5.144 19.010 2.494 397 HB2 SER 58 1HB SER 58 3.416 18.189 4.050 398 HB3 SER 58 2HB SER 58 3.387 19.947 3.927 399 HG SER 58 HG SER 58 1.742 19.286 2.121 400 HA PRO 59 HA PRO 59 4.686 15.274 0.233 401 HB2 PRO 59 1HB PRO 59 5.337 13.445 2.131 402 HB3 PRO 59 2HB PRO 59 6.528 14.507 1.371 403 HG2 PRO 59 1HG PRO 59 5.165 14.779 4.024 404 HG3 PRO 59 2HG PRO 59 6.868 15.049 3.608 405 HD2 PRO 59 1HD PRO 59 5.097 17.078 3.890 406 HD3 PRO 59 2HD PRO 59 6.455 17.148 2.749 407 H LEU 60 H LEU 60 3.144 13.792 -0.260 408 HA LEU 60 HA LEU 60 0.636 13.908 1.025 409 HB2 LEU 60 1HB LEU 60 1.790 12.027 -1.016 410 HB3 LEU 60 2HB LEU 60 0.133 11.891 -0.432 411 HG LEU 60 HG LEU 60 1.284 14.280 -1.873 412 HD11 LEU 60 1HD1 LEU 60 -0.576 13.375 -3.532 413 HD12 LEU 60 2HD1 LEU 60 -0.131 11.840 -2.786 414 HD13 LEU 60 3HD1 LEU 60 1.095 12.815 -3.598 415 HD21 LEU 60 3HD2 LEU 60 -1.102 14.958 -2.018 416 HD22 LEU 60 1HD2 LEU 60 -0.464 14.957 -0.373 417 HD23 LEU 60 2HD2 LEU 60 -1.503 13.638 -0.917 418 H ARG 61 H ARG 61 -0.402 12.514 2.402 419 HA ARG 61 HA ARG 61 1.187 11.052 4.226 420 HB2 ARG 61 1HB ARG 61 -1.209 12.151 4.449 421 HB3 ARG 61 2HB ARG 61 -1.744 10.538 3.999 422 HG2 ARG 61 1HG ARG 61 -1.731 10.304 6.253 423 HG3 ARG 61 2HG ARG 61 -0.062 9.842 5.917 424 HD2 ARG 61 1HD ARG 61 0.743 11.996 6.528 425 HD3 ARG 61 2HD ARG 61 -0.891 12.657 6.586 426 HE ARG 61 HE ARG 61 -0.632 10.525 8.423 427 HH11 ARG 61 2HH1 ARG 61 0.303 13.842 7.937 428 HH12 ARG 61 1HH1 ARG 61 0.414 14.196 9.629 429 HH21 ARG 61 2HH2 ARG 61 -0.489 10.978 10.655 430 HH22 ARG 61 1HH2 ARG 61 -0.036 12.565 11.174 431 H VAL 62 H VAL 62 1.252 8.811 4.638 432 HA VAL 62 HA VAL 62 0.615 7.144 2.292 433 HB VAL 62 HB VAL 62 2.761 6.574 4.334 434 HG11 VAL 62 1HG1 VAL 62 2.137 5.406 1.625 435 HG12 VAL 62 2HG1 VAL 62 3.582 5.037 2.569 436 HG13 VAL 62 3HG1 VAL 62 1.987 4.604 3.189 437 HG21 VAL 62 3HG2 VAL 62 3.887 8.268 3.391 438 HG22 VAL 62 1HG2 VAL 62 4.065 7.190 2.006 439 HG23 VAL 62 2HG2 VAL 62 2.763 8.381 2.036 440 H THR 63 H THR 63 -0.774 5.526 2.570 441 HA THR 63 HA THR 63 -1.625 4.876 5.300 442 HB THR 63 HB THR 63 -2.976 4.277 2.660 443 HG1 THR 63 1HG THR 63 -3.283 6.409 3.047 444 HG21 THR 63 3HG2 THR 63 -3.458 2.598 4.405 445 HG22 THR 63 1HG2 THR 63 -4.877 3.556 3.988 446 HG23 THR 63 2HG2 THR 63 -3.995 3.890 5.477 447 H HIS 64 H HIS 64 -0.583 3.200 6.158 448 HA HIS 64 HA HIS 64 0.330 1.017 4.448 449 HB2 HIS 64 1HB HIS 64 0.808 1.384 7.409 450 HB3 HIS 64 2HB HIS 64 1.670 0.306 6.316 451 HD1 HIS 64 1HD HIS 64 2.890 1.769 4.238 452 HD2 HIS 64 2HD HIS 64 2.186 3.652 7.875 453 HE1 HIS 64 1HE HIS 64 4.442 3.747 4.283 454 HE2 HIS 64 2HE HIS 64 4.059 4.821 6.529 455 H ILE 65 H ILE 65 -0.789 -0.798 4.235 456 HA ILE 65 HA ILE 65 -2.586 -1.622 6.413 457 HB ILE 65 HB ILE 65 -3.298 -1.897 3.495 458 HG12 ILE 65 1HG1 ILE 65 -4.715 0.012 5.300 459 HG13 ILE 65 2HG1 ILE 65 -3.169 0.505 4.620 460 HG21 ILE 65 1HG2 ILE 65 -4.363 -2.955 5.942 461 HG22 ILE 65 2HG2 ILE 65 -5.563 -1.943 5.141 462 HG23 ILE 65 3HG2 ILE 65 -4.834 -3.295 4.277 463 HD11 ILE 65 3HD1 ILE 65 -4.100 -0.022 2.361 464 HD12 ILE 65 1HD1 ILE 65 -5.667 -0.250 3.135 465 HD13 ILE 65 2HD1 ILE 65 -4.873 1.324 3.197 466 H LYS 66 H LYS 66 -1.834 -3.485 7.160 467 HA LYS 66 HA LYS 66 -0.148 -5.215 5.651 468 HB2 LYS 66 1HB LYS 66 -1.355 -5.239 8.374 469 HB3 LYS 66 2HB LYS 66 -0.786 -6.769 7.719 470 HG2 LYS 66 1HG LYS 66 1.423 -6.067 7.653 471 HG3 LYS 66 2HG LYS 66 0.984 -4.358 7.702 472 HD2 LYS 66 1HD LYS 66 1.725 -4.697 9.857 473 HD3 LYS 66 2HD LYS 66 -0.006 -4.983 10.041 474 HE2 LYS 66 1HE LYS 66 0.715 -7.464 9.471 475 HE3 LYS 66 2HE LYS 66 2.263 -6.905 10.103 476 HZ1 LYS 66 3HZ LYS 66 -0.263 -7.337 11.490 477 HZ2 LYS 66 1HZ LYS 66 0.660 -6.012 11.997 478 HZ3 LYS 66 2HZ LYS 66 1.323 -7.568 12.031 479 H VAL 67 H VAL 67 -0.843 -6.479 4.063 480 HA VAL 67 HA VAL 67 -3.596 -7.339 3.914 481 HB VAL 67 HB VAL 67 -1.253 -7.958 2.110 482 HG11 VAL 67 1HG1 VAL 67 -2.945 -9.686 1.942 483 HG12 VAL 67 2HG1 VAL 67 -4.202 -8.465 1.729 484 HG13 VAL 67 3HG1 VAL 67 -2.961 -8.681 0.493 485 HG21 VAL 67 3HG2 VAL 67 -2.931 -5.642 2.401 486 HG22 VAL 67 1HG2 VAL 67 -1.536 -5.889 1.350 487 HG23 VAL 67 2HG2 VAL 67 -3.146 -6.360 0.805 488 H MET 68 H MET 68 -4.312 -9.070 4.955 489 HA MET 68 HA MET 68 -2.528 -11.069 5.985 490 HB2 MET 68 1HB MET 68 -5.475 -10.575 6.109 491 HB3 MET 68 2HB MET 68 -4.856 -12.162 6.546 492 HG2 MET 68 1HG MET 68 -3.500 -11.216 8.284 493 HG3 MET 68 2HG MET 68 -3.931 -9.582 7.785 494 HE1 MET 68 3HE MET 68 -6.472 -9.121 7.311 495 HE2 MET 68 1HE MET 68 -7.692 -9.403 8.553 496 HE3 MET 68 2HE MET 68 -6.322 -8.344 8.888 497 H CYS 69 H CYS 69 -3.305 -13.458 5.708 498 HA CYS 69 HA CYS 69 -4.081 -14.013 2.944 499 HB2 CYS 69 1HB CYS 69 -1.681 -13.995 2.805 500 HB3 CYS 69 2HB CYS 69 -1.536 -14.986 4.251 501 HG CYS 69 HG CYS 69 -0.981 -16.274 1.648 502 H GLU 70 H GLU 70 -5.754 -15.343 3.074 503 HA GLU 70 HA GLU 70 -6.048 -17.100 5.378 504 HB2 GLU 70 1HB GLU 70 -7.888 -15.609 4.214 505 HB3 GLU 70 2HB GLU 70 -8.031 -16.997 3.144 506 HG2 GLU 70 1HG GLU 70 -8.290 -17.114 6.140 507 HG3 GLU 70 2HG GLU 70 -9.644 -17.008 5.016 508 H GLY 71 H GLY 71 -4.325 -18.554 4.825 509 HA2 GLY 71 1HA GLY 71 -3.702 -20.664 4.119 510 HA3 GLY 71 2HA GLY 71 -5.246 -20.794 3.290 511 H GLY 72 H GLY 72 -5.439 -19.535 1.231 512 HA2 GLY 72 1HA GLY 72 -2.832 -19.384 -0.148 513 HA3 GLY 72 2HA GLY 72 -4.213 -20.185 -0.881 514 H ARG 73 H ARG 73 -5.813 -17.902 0.538 515 HA ARG 73 HA ARG 73 -5.529 -16.036 -1.713 516 HB2 ARG 73 1HB ARG 73 -7.830 -16.582 0.166 517 HB3 ARG 73 2HB ARG 73 -7.820 -15.263 -0.998 518 HG2 ARG 73 1HG ARG 73 -8.019 -16.669 -2.802 519 HG3 ARG 73 2HG ARG 73 -7.308 -18.039 -1.947 520 HD2 ARG 73 1HD ARG 73 -9.276 -18.604 -0.931 521 HD3 ARG 73 2HD ARG 73 -9.880 -16.947 -0.941 522 HE ARG 73 HE ARG 73 -9.847 -17.615 -3.563 523 HH11 ARG 73 2HH1 ARG 73 -11.195 -19.108 -0.723 524 HH12 ARG 73 1HH1 ARG 73 -12.517 -19.839 -1.573 525 HH21 ARG 73 2HH2 ARG 73 -11.583 -18.571 -4.695 526 HH22 ARG 73 1HH2 ARG 73 -12.735 -19.533 -3.833 527 H TYR 74 H TYR 74 -6.503 -13.747 -0.936 528 HA TYR 74 HA TYR 74 -5.046 -12.991 1.511 529 HB2 TYR 74 1HB TYR 74 -5.162 -11.481 -1.107 530 HB3 TYR 74 2HB TYR 74 -4.474 -10.844 0.383 531 HD1 TYR 74 1HD TYR 74 -2.953 -13.085 1.437 532 HD2 TYR 74 2HD TYR 74 -3.407 -11.788 -2.588 533 HE1 TYR 74 1HE TYR 74 -0.785 -14.099 0.874 534 HE2 TYR 74 2HE TYR 74 -1.241 -12.799 -3.165 535 HH TYR 74 HH TYR 74 0.287 -15.026 -1.361 536 H THR 75 H THR 75 -5.897 -11.246 2.701 537 HA THR 75 HA THR 75 -8.384 -10.020 1.891 538 HB THR 75 HB THR 75 -9.011 -12.267 2.911 539 HG1 THR 75 1HG THR 75 -10.085 -9.861 3.177 540 HG21 THR 75 3HG2 THR 75 -7.252 -11.471 4.904 541 HG22 THR 75 1HG2 THR 75 -8.378 -12.825 4.981 542 HG23 THR 75 2HG2 THR 75 -8.846 -11.251 5.624 543 H VAL 76 H VAL 76 -9.034 -8.287 3.280 544 HA VAL 76 HA VAL 76 -6.933 -7.416 5.157 545 HB VAL 76 HB VAL 76 -7.547 -5.061 4.505 546 HG11 VAL 76 1HG1 VAL 76 -6.526 -6.393 2.054 547 HG12 VAL 76 2HG1 VAL 76 -5.895 -4.999 2.934 548 HG13 VAL 76 3HG1 VAL 76 -5.633 -6.629 3.557 549 HG21 VAL 76 3HG2 VAL 76 -9.631 -6.269 3.180 550 HG22 VAL 76 1HG2 VAL 76 -9.097 -4.603 2.961 551 HG23 VAL 76 2HG2 VAL 76 -8.515 -5.864 1.875 552 H GLY 77 H GLY 77 -8.137 -8.266 6.912 553 HA2 GLY 77 1HA GLY 77 -9.467 -7.867 8.763 554 HA3 GLY 77 2HA GLY 77 -10.056 -6.410 7.976 555 H GLY 78 H GLY 78 -11.231 -7.300 5.715 556 HA2 GLY 78 1HA GLY 78 -13.684 -8.353 6.685 557 HA3 GLY 78 2HA GLY 78 -13.275 -8.072 4.999 558 H LEU 79 H LEU 79 -14.791 -10.254 5.789 559 HA LEU 79 HA LEU 79 -13.148 -12.585 6.077 560 HB2 LEU 79 1HB LEU 79 -16.063 -12.218 5.422 561 HB3 LEU 79 2HB LEU 79 -15.298 -13.794 5.610 562 HG LEU 79 HG LEU 79 -15.355 -11.721 7.795 563 HD11 LEU 79 1HD1 LEU 79 -17.432 -13.595 6.878 564 HD12 LEU 79 2HD1 LEU 79 -17.572 -12.103 7.808 565 HD13 LEU 79 3HD1 LEU 79 -17.103 -13.602 8.611 566 HD21 LEU 79 3HD2 LEU 79 -14.161 -13.177 8.976 567 HD22 LEU 79 1HD2 LEU 79 -13.919 -14.087 7.485 568 HD23 LEU 79 2HD2 LEU 79 -15.251 -14.501 8.563 569 H GLU 80 H GLU 80 -14.260 -10.686 3.442 570 HA GLU 80 HA GLU 80 -14.435 -12.495 1.362 571 HB2 GLU 80 1HB GLU 80 -13.416 -9.659 1.427 572 HB3 GLU 80 2HB GLU 80 -13.574 -10.567 -0.070 573 HG2 GLU 80 1HG GLU 80 -15.575 -9.506 -0.071 574 HG3 GLU 80 2HG GLU 80 -16.023 -10.950 0.836 575 H THR 81 H THR 81 -12.759 -12.547 -0.506 576 HA THR 81 HA THR 81 -9.999 -12.646 0.373 577 HB THR 81 HB THR 81 -9.628 -14.973 -0.196 578 HG1 THR 81 1HG THR 81 -11.516 -14.972 -1.718 579 HG21 THR 81 3HG2 THR 81 -10.260 -14.472 2.117 580 HG22 THR 81 1HG2 THR 81 -10.853 -16.058 1.626 581 HG23 THR 81 2HG2 THR 81 -11.960 -14.687 1.703 582 H PHE 82 H PHE 82 -8.527 -13.260 -1.440 583 HA PHE 82 HA PHE 82 -9.677 -12.893 -4.100 584 HB2 PHE 82 1HB PHE 82 -7.423 -11.179 -3.034 585 HB3 PHE 82 2HB PHE 82 -8.055 -11.144 -4.676 586 HD1 PHE 82 2HD PHE 82 -8.669 -10.222 -1.194 587 HD2 PHE 82 1HD PHE 82 -10.174 -10.103 -5.174 588 HE1 PHE 82 2HE PHE 82 -10.314 -8.522 -0.518 589 HE2 PHE 82 1HE PHE 82 -11.820 -8.402 -4.504 590 HZ PHE 82 HZ PHE 82 -11.893 -7.610 -2.173 591 H ASP 83 H ASP 83 -8.658 -14.038 -5.650 592 HA ASP 83 HA ASP 83 -7.135 -16.204 -5.219 593 HB2 ASP 83 1HB ASP 83 -7.337 -14.358 -7.551 594 HB3 ASP 83 2HB ASP 83 -6.078 -15.590 -7.584 595 H SER 84 H SER 84 -5.904 -12.915 -5.573 596 HA SER 84 HA SER 84 -3.639 -13.390 -3.968 597 HB2 SER 84 1HB SER 84 -3.150 -14.552 -6.299 598 HB3 SER 84 2HB SER 84 -2.755 -12.902 -6.781 599 HG SER 84 HG SER 84 -1.506 -14.559 -4.894 600 H LEU 85 H LEU 85 -1.918 -11.510 -4.507 601 HA LEU 85 HA LEU 85 -3.008 -9.128 -3.765 602 HB2 LEU 85 1HB LEU 85 -0.519 -9.884 -5.189 603 HB3 LEU 85 2HB LEU 85 -0.952 -8.175 -5.170 604 HG LEU 85 HG LEU 85 0.589 -8.596 -3.389 605 HD11 LEU 85 1HD1 LEU 85 -2.012 -8.483 -1.934 606 HD12 LEU 85 2HD1 LEU 85 -1.587 -7.194 -3.059 607 HD13 LEU 85 3HD1 LEU 85 -0.540 -7.544 -1.684 608 HD21 LEU 85 3HD2 LEU 85 -0.186 -11.099 -3.309 609 HD22 LEU 85 1HD2 LEU 85 -1.264 -10.506 -2.045 610 HD23 LEU 85 2HD2 LEU 85 0.481 -10.318 -1.874 611 H THR 86 H THR 86 -2.806 -10.446 -7.000 612 HA THR 86 HA THR 86 -3.425 -8.101 -8.437 613 HB THR 86 HB THR 86 -3.977 -10.985 -9.161 614 HG1 THR 86 1HG THR 86 -1.901 -11.010 -9.527 615 HG21 THR 86 3HG2 THR 86 -4.148 -8.437 -10.749 616 HG22 THR 86 1HG2 THR 86 -5.354 -9.711 -10.581 617 HG23 THR 86 2HG2 THR 86 -3.891 -10.001 -11.521 618 H ASP 87 H ASP 87 -5.554 -10.848 -7.618 619 HA ASP 87 HA ASP 87 -7.941 -9.656 -8.439 620 HB2 ASP 87 1HB ASP 87 -7.216 -11.920 -6.649 621 HB3 ASP 87 2HB ASP 87 -8.859 -11.293 -6.533 622 H LEU 88 H LEU 88 -6.238 -9.508 -5.360 623 HA LEU 88 HA LEU 88 -8.307 -8.189 -3.930 624 HB2 LEU 88 1HB LEU 88 -6.456 -9.435 -2.870 625 HB3 LEU 88 2HB LEU 88 -5.339 -8.182 -3.406 626 HG LEU 88 HG LEU 88 -7.645 -7.390 -1.696 627 HD11 LEU 88 1HD1 LEU 88 -6.988 -8.453 0.142 628 HD12 LEU 88 2HD1 LEU 88 -5.295 -8.045 -0.139 629 HD13 LEU 88 3HD1 LEU 88 -5.996 -9.470 -0.904 630 HD21 LEU 88 3HD2 LEU 88 -4.812 -6.467 -1.468 631 HD22 LEU 88 1HD2 LEU 88 -6.309 -5.599 -1.125 632 HD23 LEU 88 2HD2 LEU 88 -5.823 -5.892 -2.795 633 H VAL 89 H VAL 89 -5.157 -6.906 -5.016 634 HA VAL 89 HA VAL 89 -5.682 -4.225 -4.589 635 HB VAL 89 HB VAL 89 -3.980 -5.409 -6.787 636 HG11 VAL 89 1HG1 VAL 89 -3.567 -2.728 -5.520 637 HG12 VAL 89 2HG1 VAL 89 -2.968 -3.338 -7.064 638 HG13 VAL 89 3HG1 VAL 89 -4.672 -2.922 -6.880 639 HG21 VAL 89 3HG2 VAL 89 -3.688 -5.659 -4.042 640 HG22 VAL 89 1HG2 VAL 89 -2.435 -5.906 -5.258 641 HG23 VAL 89 2HG2 VAL 89 -2.603 -4.337 -4.471 642 H GLU 90 H GLU 90 -5.890 -5.908 -7.733 643 HA GLU 90 HA GLU 90 -6.916 -3.926 -9.289 644 HB2 GLU 90 1HB GLU 90 -7.563 -6.870 -9.273 645 HB3 GLU 90 2HB GLU 90 -8.172 -5.780 -10.510 646 HG2 GLU 90 1HG GLU 90 -5.693 -5.138 -10.836 647 HG3 GLU 90 2HG GLU 90 -5.362 -6.639 -9.973 648 H HIS 91 H HIS 91 -8.948 -6.287 -7.544 649 HA HIS 91 HA HIS 91 -11.402 -5.094 -8.056 650 HB2 HIS 91 1HB HIS 91 -11.320 -7.308 -7.132 651 HB3 HIS 91 2HB HIS 91 -10.483 -6.736 -5.692 652 HD1 HIS 91 1HD HIS 91 -13.813 -7.387 -7.028 653 HD2 HIS 91 2HD HIS 91 -12.174 -5.095 -3.974 654 HE1 HIS 91 1HE HIS 91 -15.737 -6.806 -5.518 655 HE2 HIS 91 2HE HIS 91 -14.736 -5.348 -3.724 656 H PHE 92 H PHE 92 -8.874 -4.083 -5.968 657 HA PHE 92 HA PHE 92 -10.621 -2.323 -4.431 658 HB2 PHE 92 1HB PHE 92 -7.830 -3.303 -4.158 659 HB3 PHE 92 2HB PHE 92 -8.176 -1.699 -3.518 660 HD1 PHE 92 2HD PHE 92 -10.845 -1.954 -2.438 661 HD2 PHE 92 1HD PHE 92 -7.619 -4.729 -2.365 662 HE1 PHE 92 2HE PHE 92 -11.768 -2.968 -0.396 663 HE2 PHE 92 1HE PHE 92 -8.538 -5.750 -0.324 664 HZ PHE 92 HZ PHE 92 -10.615 -4.868 0.664 665 H LYS 93 H LYS 93 -8.697 -2.266 -7.224 666 HA LYS 93 HA LYS 93 -7.977 0.512 -7.137 667 HB2 LYS 93 1HB LYS 93 -8.019 -1.416 -9.466 668 HB3 LYS 93 2HB LYS 93 -7.264 0.171 -9.467 669 HG2 LYS 93 1HG LYS 93 -5.972 -0.823 -7.395 670 HG3 LYS 93 2HG LYS 93 -6.384 -2.352 -8.174 671 HD2 LYS 93 1HD LYS 93 -5.141 -0.108 -9.727 672 HD3 LYS 93 2HD LYS 93 -4.148 -1.220 -8.783 673 HE2 LYS 93 1HE LYS 93 -5.061 -3.106 -10.029 674 HE3 LYS 93 2HE LYS 93 -6.094 -2.013 -10.950 675 HZ1 LYS 93 3HZ LYS 93 -3.166 -1.655 -10.938 676 HZ2 LYS 93 1HZ LYS 93 -4.296 -1.141 -12.087 677 HZ3 LYS 93 2HZ LYS 93 -3.888 -2.778 -11.976 678 H LYS 94 H LYS 94 -10.800 -1.216 -7.902 679 HA LYS 94 HA LYS 94 -11.872 1.024 -9.475 680 HB2 LYS 94 1HB LYS 94 -13.732 -0.602 -10.008 681 HB3 LYS 94 2HB LYS 94 -12.151 -1.021 -10.654 682 HG2 LYS 94 1HG LYS 94 -11.833 -2.574 -8.755 683 HG3 LYS 94 2HG LYS 94 -13.476 -2.208 -8.224 684 HD2 LYS 94 1HD LYS 94 -13.843 -4.109 -9.456 685 HD3 LYS 94 2HD LYS 94 -14.078 -2.873 -10.695 686 HE2 LYS 94 1HE LYS 94 -11.524 -3.194 -11.101 687 HE3 LYS 94 2HE LYS 94 -11.775 -4.734 -10.278 688 HZ1 LYS 94 3HZ LYS 94 -12.489 -5.549 -12.194 689 HZ2 LYS 94 1HZ LYS 94 -12.380 -4.037 -12.944 690 HZ3 LYS 94 2HZ LYS 94 -13.804 -4.486 -12.152 691 H THR 95 H THR 95 -12.385 -0.930 -6.600 692 HA THR 95 HA THR 95 -14.762 0.603 -5.883 693 HB THR 95 HB THR 95 -14.993 -0.937 -4.005 694 HG1 THR 95 1HG THR 95 -12.563 -2.082 -4.963 695 HG21 THR 95 3HG2 THR 95 -16.095 -2.097 -5.572 696 HG22 THR 95 1HG2 THR 95 -14.667 -3.129 -5.647 697 HG23 THR 95 2HG2 THR 95 -14.853 -1.795 -6.787 698 H GLY 96 H GLY 96 -11.637 -0.255 -4.379 699 HA2 GLY 96 1HA GLY 96 -10.239 1.482 -3.436 700 HA3 GLY 96 2HA GLY 96 -11.702 2.364 -3.023 701 H ILE 97 H ILE 97 -9.813 2.007 -1.109 702 HA ILE 97 HA ILE 97 -10.926 -0.120 0.599 703 HB ILE 97 HB ILE 97 -8.185 1.137 0.614 704 HG12 ILE 97 1HG1 ILE 97 -8.823 -1.795 0.499 705 HG13 ILE 97 2HG1 ILE 97 -8.890 -0.817 -0.962 706 HG21 ILE 97 1HG2 ILE 97 -9.645 -0.363 2.716 707 HG22 ILE 97 2HG2 ILE 97 -7.934 -0.719 2.488 708 HG23 ILE 97 3HG2 ILE 97 -8.450 0.925 2.867 709 HD11 ILE 97 3HD1 ILE 97 -6.618 -1.926 0.400 710 HD12 ILE 97 1HD1 ILE 97 -6.724 -1.190 -1.198 711 HD13 ILE 97 2HD1 ILE 97 -6.455 -0.179 0.222 712 H GLU 98 H GLU 98 -12.059 0.494 2.315 713 HA GLU 98 HA GLU 98 -12.042 3.313 3.081 714 HB2 GLU 98 1HB GLU 98 -14.223 2.367 2.665 715 HB3 GLU 98 2HB GLU 98 -13.909 1.044 3.780 716 HG2 GLU 98 1HG GLU 98 -15.325 2.545 4.909 717 HG3 GLU 98 2HG GLU 98 -13.719 2.766 5.601 718 H GLU 99 H GLU 99 -10.887 3.983 4.753 719 HA GLU 99 HA GLU 99 -9.778 2.050 6.617 720 HB2 GLU 99 1HB GLU 99 -9.339 5.030 6.358 721 HB3 GLU 99 2HB GLU 99 -8.473 3.975 7.465 722 HG2 GLU 99 1HG GLU 99 -8.455 3.578 4.490 723 HG3 GLU 99 2HG GLU 99 -7.278 4.582 5.334 724 H ALA 100 H ALA 100 -9.885 2.352 8.926 725 HA ALA 100 HA ALA 100 -12.483 2.677 9.899 726 HB1 ALA 100 1HB ALA 100 -10.771 3.095 12.071 727 HB2 ALA 100 2HB ALA 100 -11.503 1.575 11.559 728 HB3 ALA 100 3HB ALA 100 -9.900 2.022 10.975 729 H SER 101 H SER 101 -9.670 4.831 10.321 730 HA SER 101 HA SER 101 -10.694 6.858 11.773 731 HB2 SER 101 1HB SER 101 -8.402 6.630 10.510 732 HB3 SER 101 2HB SER 101 -9.205 7.608 9.281 733 HG SER 101 HG SER 101 -8.236 9.022 10.669 734 H GLY 102 H GLY 102 -11.270 6.333 8.318 735 HA2 GLY 102 1HA GLY 102 -13.662 6.883 7.711 736 HA3 GLY 102 2HA GLY 102 -13.323 8.454 8.420 737 H ALA 103 H ALA 103 -10.874 6.800 6.599 738 HA ALA 103 HA ALA 103 -11.175 8.812 4.472 739 HB1 ALA 103 1HB ALA 103 -9.045 9.253 4.958 740 HB2 ALA 103 2HB ALA 103 -8.875 7.783 5.919 741 HB3 ALA 103 3HB ALA 103 -8.660 7.723 4.170 742 H PHE 104 H PHE 104 -10.609 8.146 2.283 743 HA PHE 104 HA PHE 104 -11.111 5.284 1.799 744 HB2 PHE 104 1HB PHE 104 -12.432 7.688 0.661 745 HB3 PHE 104 2HB PHE 104 -12.105 6.362 -0.450 746 HD1 PHE 104 2HD PHE 104 -13.101 4.133 -0.035 747 HD2 PHE 104 1HD PHE 104 -14.146 7.546 2.285 748 HE1 PHE 104 2HE PHE 104 -15.120 2.972 0.759 749 HE2 PHE 104 1HE PHE 104 -16.167 6.389 3.082 750 HZ PHE 104 HZ PHE 104 -16.656 4.100 2.318 751 H VAL 105 H VAL 105 -9.152 4.540 1.230 752 HA VAL 105 HA VAL 105 -7.258 6.080 -0.257 753 HB VAL 105 HB VAL 105 -7.321 3.143 0.441 754 HG11 VAL 105 1HG1 VAL 105 -5.256 4.780 -1.000 755 HG12 VAL 105 2HG1 VAL 105 -4.843 3.297 -0.138 756 HG13 VAL 105 3HG1 VAL 105 -5.981 3.248 -1.485 757 HG21 VAL 105 3HG2 VAL 105 -5.722 3.697 2.137 758 HG22 VAL 105 1HG2 VAL 105 -5.616 5.361 1.561 759 HG23 VAL 105 2HG2 VAL 105 -7.102 4.781 2.312 760 H TYR 106 H TYR 106 -6.735 6.006 -2.393 761 HA TYR 106 HA TYR 106 -8.412 4.303 -4.117 762 HB2 TYR 106 1HB TYR 106 -7.455 7.113 -4.701 763 HB3 TYR 106 2HB TYR 106 -8.407 6.105 -5.785 764 HD1 TYR 106 1HD TYR 106 -10.229 4.956 -3.585 765 HD2 TYR 106 2HD TYR 106 -9.010 8.919 -4.543 766 HE1 TYR 106 1HE TYR 106 -12.299 5.828 -2.583 767 HE2 TYR 106 2HE TYR 106 -11.076 9.802 -3.541 768 HH TYR 106 HH TYR 106 -13.531 8.721 -3.133 769 H LEU 107 H LEU 107 -7.439 3.280 -5.815 770 HA LEU 107 HA LEU 107 -4.518 3.612 -6.043 771 HB2 LEU 107 1HB LEU 107 -6.022 1.073 -6.616 772 HB3 LEU 107 2HB LEU 107 -4.281 1.291 -6.443 773 HG LEU 107 HG LEU 107 -5.017 2.021 -3.989 774 HD11 LEU 107 1HD1 LEU 107 -6.803 0.190 -3.404 775 HD12 LEU 107 2HD1 LEU 107 -7.290 0.436 -5.080 776 HD13 LEU 107 3HD1 LEU 107 -7.296 1.792 -3.954 777 HD21 LEU 107 3HD2 LEU 107 -5.026 -0.779 -3.850 778 HD22 LEU 107 1HD2 LEU 107 -3.648 0.306 -3.659 779 HD23 LEU 107 2HD2 LEU 107 -4.030 -0.363 -5.246 780 H ARG 108 H ARG 108 -4.623 5.065 -7.758 781 HA ARG 108 HA ARG 108 -6.081 4.349 -10.160 782 HB2 ARG 108 1HB ARG 108 -4.223 6.682 -9.665 783 HB3 ARG 108 2HB ARG 108 -5.316 6.492 -11.028 784 HG2 ARG 108 1HG ARG 108 -7.124 6.325 -9.120 785 HG3 ARG 108 2HG ARG 108 -5.902 7.215 -8.209 786 HD2 ARG 108 1HD ARG 108 -7.315 8.021 -10.735 787 HD3 ARG 108 2HD ARG 108 -7.285 8.854 -9.182 788 HE ARG 108 HE ARG 108 -4.671 8.775 -10.045 789 HH11 ARG 108 2HH1 ARG 108 -7.687 10.056 -11.218 790 HH12 ARG 108 1HH1 ARG 108 -6.948 11.371 -12.070 791 HH21 ARG 108 2HH2 ARG 108 -3.685 10.503 -11.160 792 HH22 ARG 108 1HH2 ARG 108 -4.671 11.624 -12.036 793 H GLN 109 H GLN 109 -2.701 4.766 -9.160 794 HA GLN 109 HA GLN 109 -1.893 2.911 -11.257 795 HB2 GLN 109 1HB GLN 109 -0.141 4.356 -12.100 796 HB3 GLN 109 2HB GLN 109 -1.695 5.165 -12.254 797 HG2 GLN 109 1HG GLN 109 0.003 5.665 -9.854 798 HG3 GLN 109 2HG GLN 109 0.376 6.463 -11.382 799 HE21 GLN 109 1HE2 GLN 109 -0.413 7.734 -8.965 800 HE22 GLN 109 2HE2 GLN 109 -1.911 8.540 -9.266 801 HA PRO 110 HA PRO 110 0.696 1.415 -8.025 802 HB2 PRO 110 1HB PRO 110 2.463 -0.001 -9.523 803 HB3 PRO 110 2HB PRO 110 0.806 -0.541 -9.226 804 HG2 PRO 110 1HG PRO 110 1.946 0.841 -11.624 805 HG3 PRO 110 2HG PRO 110 0.815 -0.522 -11.551 806 HD2 PRO 110 1HD PRO 110 0.006 2.020 -12.020 807 HD3 PRO 110 2HD PRO 110 -0.999 0.843 -11.150 808 H TYR 111 H TYR 111 3.369 0.911 -8.117 809 HA TYR 111 HA TYR 111 4.638 3.459 -8.843 810 HB2 TYR 111 1HB TYR 111 4.106 3.556 -6.454 811 HB3 TYR 111 2HB TYR 111 4.945 2.031 -6.193 812 HD1 TYR 111 1HD TYR 111 5.601 5.421 -7.632 813 HD2 TYR 111 2HD TYR 111 7.115 2.120 -5.415 814 HE1 TYR 111 1HE TYR 111 7.698 6.648 -7.247 815 HE2 TYR 111 2HE TYR 111 9.215 3.338 -5.023 816 HH TYR 111 HH TYR 111 10.016 5.659 -4.974 817 H TYR 112 H TYR 112 6.042 2.876 -10.371 818 HA TYR 112 HA TYR 112 7.508 0.360 -10.111 819 HB2 TYR 112 1HB TYR 112 7.548 2.286 -12.437 820 HB3 TYR 112 2HB TYR 112 8.087 0.610 -12.426 821 HD1 TYR 112 1HD TYR 112 6.192 -1.123 -11.719 822 HD2 TYR 112 2HD TYR 112 5.476 2.746 -13.339 823 HE1 TYR 112 1HE TYR 112 3.961 -1.851 -12.454 824 HE2 TYR 112 2HE TYR 112 3.241 2.029 -14.076 825 HH TYR 112 HH TYR 112 1.864 0.280 -14.346 826 H SER 113 H SER 113 8.258 2.230 -8.242 827 HA SER 113 HA SER 113 9.961 3.610 -7.519 828 HB2 SER 113 1HB SER 113 12.012 2.429 -7.398 829 HB3 SER 113 2HB SER 113 10.769 1.180 -7.466 830 HG SER 113 HG SER 113 11.193 1.191 -9.809 831 H GLY 114 H GLY 114 8.953 4.660 -9.877 832 HA2 GLY 114 1HA GLY 114 9.541 6.352 -11.333 833 HA3 GLY 114 2HA GLY 114 11.198 6.199 -10.768 834 HA PRO 115 HA PRO 115 11.072 4.735 -15.151 835 HB2 PRO 115 1HB PRO 115 13.354 6.012 -15.880 836 HB3 PRO 115 2HB PRO 115 11.766 6.788 -15.911 837 HG2 PRO 115 1HG PRO 115 13.924 6.970 -13.844 838 HG3 PRO 115 2HG PRO 115 12.910 8.259 -14.519 839 HD2 PRO 115 1HD PRO 115 12.416 7.130 -12.109 840 HD3 PRO 115 2HD PRO 115 11.123 7.737 -13.162 841 H SER 116 H SER 116 11.837 2.756 -15.503 842 HA SER 116 HA SER 116 14.476 2.046 -14.398 843 HB2 SER 116 1HB SER 116 11.985 0.340 -14.577 844 HB3 SER 116 2HB SER 116 13.583 -0.298 -14.198 845 HG SER 116 HG SER 116 12.676 1.872 -12.703 846 H SER 117 H SER 117 15.858 1.899 -16.034 847 HA SER 117 HA SER 117 15.388 1.754 -18.705 848 HB2 SER 117 1HB SER 117 17.623 2.118 -18.037 849 HB3 SER 117 2HB SER 117 17.665 0.641 -17.073 850 HG SER 117 HG SER 117 17.180 0.409 -19.815 851 H GLY 118 H GLY 118 15.737 -1.016 -16.508 852 HA2 GLY 118 1HA GLY 118 14.001 -2.609 -18.162 853 HA3 GLY 118 2HA GLY 118 15.679 -3.132 -18.222 854 H1 MET 1 H MET 1 18.783 7.971 11.173 855 HA MET 1 HA MET 1 19.044 8.122 14.097 856 HB2 MET 1 1HB MET 1 17.118 9.592 12.323 857 HB3 MET 1 2HB MET 1 16.692 9.215 13.987 858 HG2 MET 1 1HG MET 1 19.064 10.832 13.085 859 HG3 MET 1 2HG MET 1 17.579 11.462 13.794 860 HE1 MET 1 3HE MET 1 21.284 10.223 15.928 861 HE2 MET 1 1HE MET 1 20.805 9.154 14.610 862 HE3 MET 1 2HE MET 1 21.017 10.879 14.312 863 H ASP 2 H ASP 2 17.830 6.688 15.250 864 HA ASP 2 HA ASP 2 16.713 4.470 13.795 865 HB2 ASP 2 1HB ASP 2 18.028 4.518 16.085 866 HB3 ASP 2 2HB ASP 2 16.416 4.749 16.756 867 H ASN 3 H ASN 3 14.701 4.404 13.071 868 HA ASN 3 HA ASN 3 12.690 6.178 14.218 869 HB2 ASN 3 1HB ASN 3 12.413 4.363 11.817 870 HB3 ASN 3 2HB ASN 3 11.379 5.720 12.255 871 HD21 ASN 3 1HD2 ASN 3 14.431 4.748 10.923 872 HD22 ASN 3 2HD2 ASN 3 14.871 6.290 10.277 873 H GLN 4 H GLN 4 11.419 5.466 15.787 874 HA GLN 4 HA GLN 4 11.293 2.966 16.860 875 HB2 GLN 4 1HB GLN 4 9.353 5.235 16.794 876 HB3 GLN 4 2HB GLN 4 8.832 3.701 17.478 877 HG2 GLN 4 1HG GLN 4 9.591 4.868 19.319 878 HG3 GLN 4 2HG GLN 4 10.968 3.850 18.898 879 HE21 GLN 4 1HE2 GLN 4 12.832 4.779 18.141 880 HE22 GLN 4 2HE2 GLN 4 13.112 6.483 18.159 881 H GLY 5 H GLY 5 8.971 4.273 14.485 882 HA2 GLY 5 1HA GLY 5 8.747 2.274 12.723 883 HA3 GLY 5 2HA GLY 5 7.847 1.622 14.083 884 H VAL 6 H VAL 6 7.034 2.480 11.328 885 HA VAL 6 HA VAL 6 5.302 4.757 11.806 886 HB VAL 6 HB VAL 6 4.615 4.507 9.483 887 HG11 VAL 6 1HG1 VAL 6 6.515 5.397 8.630 888 HG12 VAL 6 2HG1 VAL 6 7.009 5.369 10.323 889 HG13 VAL 6 3HG1 VAL 6 7.529 4.086 9.231 890 HG21 VAL 6 3HG2 VAL 6 4.628 2.035 9.433 891 HG22 VAL 6 1HG2 VAL 6 5.474 2.753 8.061 892 HG23 VAL 6 2HG2 VAL 6 6.391 2.070 9.404 893 H ILE 7 H ILE 7 3.144 4.708 12.144 894 HA ILE 7 HA ILE 7 1.957 2.287 13.057 895 HB ILE 7 HB ILE 7 0.553 4.885 12.427 896 HG12 ILE 7 1HG1 ILE 7 2.571 5.004 14.011 897 HG13 ILE 7 2HG1 ILE 7 1.044 5.652 14.599 898 HG21 ILE 7 1HG2 ILE 7 -1.197 3.514 12.842 899 HG22 ILE 7 2HG2 ILE 7 -0.218 2.358 13.746 900 HG23 ILE 7 3HG2 ILE 7 -0.763 3.847 14.519 901 HD11 ILE 7 3HD1 ILE 7 0.741 3.934 16.096 902 HD12 ILE 7 1HD1 ILE 7 1.787 2.829 15.203 903 HD13 ILE 7 2HD1 ILE 7 2.491 4.152 16.133 904 H PTR 8 H PTR 8 0.250 1.106 12.179 905 HA PTR 8 HA PTR 8 -0.044 1.390 9.266 906 HB2 PTR 8 2HB PTR 8 -0.117 -0.969 11.114 907 HB3 PTR 8 3HB PTR 8 -0.956 -1.047 9.568 908 HD1 PTR 8 1HD PTR 8 0.271 -2.420 8.166 909 HD2 PTR 8 2HD PTR 8 2.323 0.462 10.528 910 HE1 PTR 8 1HE PTR 8 2.379 -3.016 7.048 911 HE2 PTR 8 2HE PTR 8 4.437 -0.125 9.416 912 H SER 9 H SER 9 -1.827 2.479 8.760 913 HA SER 9 HA SER 9 -4.049 2.907 10.362 914 HB2 SER 9 1HB SER 9 -3.870 2.890 7.340 915 HB3 SER 9 2HB SER 9 -5.218 3.556 8.262 916 HG SER 9 HG SER 9 -3.424 5.022 7.554 917 H ASP 10 H ASP 10 -5.973 1.894 10.682 918 HA ASP 10 HA ASP 10 -6.157 -0.864 9.714 919 HB2 ASP 10 1HB ASP 10 -7.154 0.592 12.106 920 HB3 ASP 10 2HB ASP 10 -8.156 -0.721 11.495 921 H LEU 11 H LEU 11 -8.372 -1.684 9.210 922 HA LEU 11 HA LEU 11 -9.689 0.202 7.416 923 HB2 LEU 11 1HB LEU 11 -9.499 -2.743 7.638 924 HB3 LEU 11 2HB LEU 11 -10.994 -2.091 6.970 925 HG LEU 11 HG LEU 11 -9.982 -1.367 5.049 926 HD11 LEU 11 1HD1 LEU 11 -8.390 0.146 5.868 927 HD12 LEU 11 2HD1 LEU 11 -7.462 -1.022 4.928 928 HD13 LEU 11 3HD1 LEU 11 -7.478 -1.121 6.688 929 HD21 LEU 11 3HD2 LEU 11 -8.157 -3.069 4.446 930 HD22 LEU 11 1HD2 LEU 11 -9.759 -3.681 4.860 931 HD23 LEU 11 2HD2 LEU 11 -8.455 -3.748 6.046 932 H ASN 12 H ASN 12 -12.217 -0.650 7.236 933 HA ASN 12 HA ASN 12 -13.335 0.175 9.797 934 HB2 ASN 12 1HB ASN 12 -15.189 0.901 8.640 935 HB3 ASN 12 2HB ASN 12 -13.969 1.039 7.377 936 HD21 ASN 12 1HD2 ASN 12 -13.955 -0.430 5.684 937 HD22 ASN 12 2HD2 ASN 12 -15.306 -1.450 5.342 938 H LEU 13 H LEU 13 -13.973 -2.370 7.380 939 HA LEU 13 HA LEU 13 -15.822 -3.890 8.633 940 HB2 LEU 13 1HB LEU 13 -13.514 -5.391 7.537 941 HB3 LEU 13 2HB LEU 13 -15.240 -5.602 7.249 942 HG LEU 13 HG LEU 13 -14.899 -3.283 5.976 943 HD11 LEU 13 1HD1 LEU 13 -12.813 -3.030 4.957 944 HD12 LEU 13 2HD1 LEU 13 -12.284 -4.645 5.425 945 HD13 LEU 13 3HD1 LEU 13 -12.432 -3.378 6.644 946 HD21 LEU 13 3HD2 LEU 13 -15.679 -5.612 5.188 947 HD22 LEU 13 1HD2 LEU 13 -14.028 -5.795 4.597 948 HD23 LEU 13 2HD2 LEU 13 -15.041 -4.484 3.992 949 HA PRO 14 HA PRO 14 -12.425 -6.121 11.277 950 HB2 PRO 14 1HB PRO 14 -10.028 -4.861 11.476 951 HB3 PRO 14 2HB PRO 14 -10.386 -6.049 10.217 952 HG2 PRO 14 1HG PRO 14 -10.424 -3.059 10.067 953 HG3 PRO 14 2HG PRO 14 -9.784 -4.230 8.899 954 HD2 PRO 14 1HD PRO 14 -12.193 -3.033 8.591 955 HD3 PRO 14 2HD PRO 14 -11.866 -4.683 8.023 956 HA PRO 15 HA PRO 15 -13.397 -3.598 14.767 957 HB2 PRO 15 1HB PRO 15 -12.230 -5.100 16.704 958 HB3 PRO 15 2HB PRO 15 -13.734 -5.566 15.903 959 HG2 PRO 15 1HG PRO 15 -10.939 -6.501 15.377 960 HG3 PRO 15 2HG PRO 15 -12.439 -7.445 15.459 961 HD2 PRO 15 1HD PRO 15 -11.306 -6.709 13.112 962 HD3 PRO 15 2HD PRO 15 -13.062 -6.876 13.314 Start of MODEL 7 1 H1 GLY 1 H GLY 1 18.037 -3.827 -10.324 2 HA2 GLY 1 1HA GLY 1 18.154 -3.598 -12.622 3 HA3 GLY 1 2HA GLY 1 19.559 -4.654 -12.614 4 H SER 2 H SER 2 16.122 -5.035 -11.739 5 HA SER 2 HA SER 2 16.019 -7.715 -12.669 6 HB2 SER 2 1HB SER 2 13.723 -7.675 -12.083 7 HB3 SER 2 2HB SER 2 14.510 -6.606 -10.923 8 HG SER 2 HG SER 2 13.379 -5.009 -11.676 9 H SER 3 H SER 3 15.886 -8.423 -14.682 10 HA SER 3 HA SER 3 15.616 -6.681 -16.901 11 HB2 SER 3 1HB SER 3 16.909 -8.771 -17.019 12 HB3 SER 3 2HB SER 3 15.427 -9.703 -16.799 13 HG SER 3 HG SER 3 15.028 -8.024 -18.806 14 H GLY 4 H GLY 4 13.645 -5.592 -16.692 15 HA2 GLY 4 1HA GLY 4 11.500 -5.420 -17.686 16 HA3 GLY 4 2HA GLY 4 11.341 -7.168 -17.583 17 H SER 5 H SER 5 9.636 -4.846 -16.662 18 HA SER 5 HA SER 5 9.578 -5.319 -13.778 19 HB2 SER 5 1HB SER 5 9.421 -3.007 -14.312 20 HB3 SER 5 2HB SER 5 8.211 -3.304 -15.561 21 HG SER 5 HG SER 5 6.852 -2.874 -14.015 22 H SER 6 H SER 6 8.229 -6.729 -12.895 23 HA SER 6 HA SER 6 6.365 -8.196 -14.479 24 HB2 SER 6 1HB SER 6 5.834 -9.373 -12.387 25 HB3 SER 6 2HB SER 6 7.578 -9.237 -12.610 26 HG SER 6 HG SER 6 7.083 -8.674 -10.504 27 H GLY 7 H GLY 7 5.984 -5.936 -11.749 28 HA2 GLY 7 1HA GLY 7 3.653 -4.747 -12.850 29 HA3 GLY 7 2HA GLY 7 3.211 -5.916 -11.615 30 H TRP 8 H TRP 8 2.970 -5.114 -9.647 31 HA TRP 8 HA TRP 8 4.452 -2.663 -8.951 32 HB2 TRP 8 1HB TRP 8 2.403 -2.596 -7.208 33 HB3 TRP 8 2HB TRP 8 2.331 -1.853 -8.804 34 HD1 TRP 8 HD TRP 8 0.105 -2.358 -9.936 35 HE1 TRP 8 1HE TRP 8 -1.524 -4.348 -10.022 36 HE3 TRP 8 3HE TRP 8 2.597 -5.580 -6.846 37 HZ2 TRP 8 2HZ TRP 8 -1.727 -6.941 -8.924 38 HZ3 TRP 8 3HZ TRP 8 1.617 -7.795 -6.415 39 HH2 TRP 8 HH TRP 8 -0.500 -8.460 -7.433 40 H TYR 9 H TYR 9 5.294 -5.452 -8.592 41 HA TYR 9 HA TYR 9 5.222 -5.719 -5.671 42 HB2 TYR 9 1HB TYR 9 4.728 -7.634 -7.428 43 HB3 TYR 9 2HB TYR 9 6.483 -7.773 -7.436 44 HD1 TYR 9 1HD TYR 9 3.447 -8.126 -5.391 45 HD2 TYR 9 2HD TYR 9 7.666 -8.653 -5.534 46 HE1 TYR 9 1HE TYR 9 3.339 -9.495 -3.351 47 HE2 TYR 9 2HE TYR 9 7.570 -10.026 -3.496 48 HH TYR 9 HH TYR 9 4.632 -10.346 -1.633 49 H HIS 10 H HIS 10 6.906 -5.105 -4.499 50 HA HIS 10 HA HIS 10 9.469 -4.633 -5.859 51 HB2 HIS 10 1HB HIS 10 8.220 -3.451 -3.388 52 HB3 HIS 10 2HB HIS 10 9.945 -3.299 -3.705 53 HD1 HIS 10 1HD HIS 10 10.661 -1.487 -5.284 54 HD2 HIS 10 2HD HIS 10 6.562 -2.161 -5.381 55 HE1 HIS 10 1HE HIS 10 9.709 0.358 -6.704 56 HE2 HIS 10 2HE HIS 10 7.219 -0.022 -6.678 57 H GLY 11 H GLY 11 8.363 -5.606 -2.601 58 HA2 GLY 11 1HA GLY 11 8.982 -7.775 -1.707 59 HA3 GLY 11 2HA GLY 11 10.477 -7.664 -2.624 60 H HIS 12 H HIS 12 12.241 -6.977 -1.596 61 HA HIS 12 HA HIS 12 12.293 -6.551 1.159 62 HB2 HIS 12 1HB HIS 12 14.373 -5.504 -0.762 63 HB3 HIS 12 2HB HIS 12 14.604 -6.014 0.908 64 HD1 HIS 12 1HD HIS 12 15.034 -8.472 1.331 65 HD2 HIS 12 2HD HIS 12 14.025 -7.652 -2.615 66 HE1 HIS 12 1HE HIS 12 15.477 -10.601 0.067 67 HE2 HIS 12 2HE HIS 12 14.940 -10.054 -2.332 68 H MET 13 H MET 13 11.215 -4.944 2.124 69 HA MET 13 HA MET 13 12.067 -2.265 1.864 70 HB2 MET 13 1HB MET 13 10.590 -2.618 -0.209 71 HB3 MET 13 2HB MET 13 9.240 -2.666 0.915 72 HG2 MET 13 1HG MET 13 9.898 -0.423 1.728 73 HG3 MET 13 2HG MET 13 11.146 -0.380 0.484 74 HE1 MET 13 3HE MET 13 10.127 0.244 -2.485 75 HE2 MET 13 1HE MET 13 10.518 -1.331 -1.794 76 HE3 MET 13 2HE MET 13 8.980 -1.089 -2.622 77 H SER 14 H SER 14 11.260 -0.940 3.504 78 HA SER 14 HA SER 14 9.518 -2.306 5.453 79 HB2 SER 14 1HB SER 14 10.756 -0.888 7.175 80 HB3 SER 14 2HB SER 14 11.679 -2.196 6.437 81 HG SER 14 HG SER 14 12.831 -0.765 5.290 82 H GLY 15 H GLY 15 8.139 -0.955 6.743 83 HA2 GLY 15 1HA GLY 15 6.527 0.784 5.441 84 HA3 GLY 15 2HA GLY 15 6.807 0.887 7.172 85 H GLY 16 H GLY 16 9.323 1.801 7.410 86 HA2 GLY 16 1HA GLY 16 9.102 4.539 7.022 87 HA3 GLY 16 2HA GLY 16 10.617 3.694 7.306 88 H GLN 17 H GLN 17 10.985 2.225 5.074 89 HA GLN 17 HA GLN 17 11.988 4.080 3.238 90 HB2 GLN 17 1HB GLN 17 12.487 1.512 3.634 91 HB3 GLN 17 2HB GLN 17 11.319 1.316 2.334 92 HG2 GLN 17 1HG GLN 17 13.533 1.328 1.419 93 HG3 GLN 17 2HG GLN 17 12.689 2.793 0.918 94 HE21 GLN 17 1HE2 GLN 17 14.874 3.552 0.485 95 HE22 GLN 17 2HE2 GLN 17 15.791 4.245 1.775 96 H ALA 18 H ALA 18 9.294 1.794 2.720 97 HA ALA 18 HA ALA 18 8.351 2.577 0.320 98 HB1 ALA 18 1HB ALA 18 7.007 1.603 2.775 99 HB2 ALA 18 2HB ALA 18 5.985 2.239 1.485 100 HB3 ALA 18 3HB ALA 18 7.079 0.893 1.162 101 H GLU 19 H GLU 19 7.625 4.207 3.393 102 HA GLU 19 HA GLU 19 5.879 6.146 2.443 103 HB2 GLU 19 1HB GLU 19 7.699 5.918 4.779 104 HB3 GLU 19 2HB GLU 19 7.101 7.526 4.392 105 HG2 GLU 19 1HG GLU 19 4.782 6.346 4.329 106 HG3 GLU 19 2HG GLU 19 5.599 5.111 5.284 107 H THR 20 H THR 20 9.419 6.260 2.689 108 HA THR 20 HA THR 20 9.772 8.877 1.763 109 HB THR 20 HB THR 20 11.647 6.529 1.423 110 HG1 THR 20 1HG THR 20 12.364 7.011 3.419 111 HG21 THR 20 3HG2 THR 20 12.588 8.118 0.050 112 HG22 THR 20 1HG2 THR 20 13.309 8.563 1.596 113 HG23 THR 20 2HG2 THR 20 11.927 9.465 0.975 114 H LEU 21 H LEU 21 10.031 5.814 -0.049 115 HA LEU 21 HA LEU 21 10.475 6.898 -2.566 116 HB2 LEU 21 1HB LEU 21 8.954 4.390 -1.865 117 HB3 LEU 21 2HB LEU 21 9.604 4.782 -3.456 118 HG LEU 21 HG LEU 21 11.870 4.908 -2.055 119 HD11 LEU 21 1HD1 LEU 21 9.961 3.582 -0.297 120 HD12 LEU 21 2HD1 LEU 21 11.551 4.256 0.055 121 HD13 LEU 21 3HD1 LEU 21 11.411 2.627 -0.606 122 HD21 LEU 21 3HD2 LEU 21 10.647 3.110 -3.826 123 HD22 LEU 21 1HD2 LEU 21 11.337 2.128 -2.534 124 HD23 LEU 21 2HD2 LEU 21 12.363 3.243 -3.438 125 H LEU 22 H LEU 22 7.378 5.997 -1.061 126 HA LEU 22 HA LEU 22 5.728 6.766 -3.191 127 HB2 LEU 22 1HB LEU 22 5.290 6.474 -0.242 128 HB3 LEU 22 2HB LEU 22 4.003 7.062 -1.293 129 HG LEU 22 HG LEU 22 5.379 4.398 -1.618 130 HD11 LEU 22 1HD1 LEU 22 3.218 3.491 -0.748 131 HD12 LEU 22 2HD1 LEU 22 2.798 5.130 -0.253 132 HD13 LEU 22 3HD1 LEU 22 4.202 4.331 0.452 133 HD21 LEU 22 3HD2 LEU 22 4.498 4.917 -3.693 134 HD22 LEU 22 1HD2 LEU 22 3.130 5.794 -3.009 135 HD23 LEU 22 2HD2 LEU 22 3.174 4.034 -2.932 136 H GLN 23 H GLN 23 6.313 8.543 -0.149 137 HA GLN 23 HA GLN 23 5.044 10.895 -0.790 138 HB2 GLN 23 1HB GLN 23 7.481 10.363 0.895 139 HB3 GLN 23 2HB GLN 23 6.799 11.977 0.742 140 HG2 GLN 23 1HG GLN 23 4.702 11.219 1.669 141 HG3 GLN 23 2HG GLN 23 5.301 9.562 1.735 142 HE21 GLN 23 1HE2 GLN 23 4.301 11.046 3.926 143 HE22 GLN 23 2HE2 GLN 23 5.587 11.240 5.063 144 H ALA 24 H ALA 24 8.524 10.239 -1.229 145 HA ALA 24 HA ALA 24 9.352 12.530 -2.427 146 HB1 ALA 24 1HB ALA 24 10.221 9.925 -3.608 147 HB2 ALA 24 2HB ALA 24 11.172 11.366 -3.251 148 HB3 ALA 24 3HB ALA 24 10.624 10.324 -1.938 149 H LYS 25 H LYS 25 7.712 9.826 -4.035 150 HA LYS 25 HA LYS 25 7.817 10.790 -6.651 151 HB2 LYS 25 1HB LYS 25 7.131 8.510 -6.126 152 HB3 LYS 25 2HB LYS 25 5.687 9.106 -5.320 153 HG2 LYS 25 1HG LYS 25 4.835 8.488 -7.351 154 HG3 LYS 25 2HG LYS 25 5.195 10.191 -7.645 155 HD2 LYS 25 1HD LYS 25 7.522 9.223 -8.407 156 HD3 LYS 25 2HD LYS 25 6.580 7.750 -8.650 157 HE2 LYS 25 1HE LYS 25 5.120 8.850 -10.182 158 HE3 LYS 25 2HE LYS 25 5.808 10.427 -9.795 159 HZ1 LYS 25 3HZ LYS 25 7.336 8.215 -11.053 160 HZ2 LYS 25 1HZ LYS 25 7.850 9.813 -10.830 161 HZ3 LYS 25 2HZ LYS 25 6.602 9.471 -11.920 162 H GLY 26 H GLY 26 5.544 11.470 -4.040 163 HA2 GLY 26 1HA GLY 26 4.004 13.154 -3.786 164 HA3 GLY 26 2HA GLY 26 4.833 13.991 -5.090 165 H GLU 27 H GLU 27 3.479 10.814 -5.552 166 HA GLU 27 HA GLU 27 1.477 12.002 -7.350 167 HB2 GLU 27 1HB GLU 27 3.088 9.498 -7.441 168 HB3 GLU 27 2HB GLU 27 1.481 9.464 -8.151 169 HG2 GLU 27 1HG GLU 27 2.323 11.663 -9.327 170 HG3 GLU 27 2HG GLU 27 3.903 10.953 -9.004 171 HA PRO 28 HA PRO 28 -1.521 10.614 -4.359 172 HB2 PRO 28 1HB PRO 28 -3.697 11.451 -5.748 173 HB3 PRO 28 2HB PRO 28 -2.660 12.552 -4.834 174 HG2 PRO 28 1HG PRO 28 -2.684 11.973 -7.770 175 HG3 PRO 28 2HG PRO 28 -2.535 13.532 -6.938 176 HD2 PRO 28 1HD PRO 28 -0.401 12.218 -7.961 177 HD3 PRO 28 2HD PRO 28 -0.292 13.230 -6.507 178 H TRP 29 H TRP 29 -2.757 8.810 -4.128 179 HA TRP 29 HA TRP 29 -3.749 6.816 -4.595 180 HB2 TRP 29 1HB TRP 29 -3.951 7.620 -7.488 181 HB3 TRP 29 2HB TRP 29 -5.029 6.584 -6.556 182 HD1 TRP 29 HD TRP 29 -5.423 9.609 -8.178 183 HE1 TRP 29 1HE TRP 29 -6.926 11.291 -6.938 184 HE3 TRP 29 3HE TRP 29 -5.288 7.531 -3.510 185 HZ2 TRP 29 2HZ TRP 29 -7.921 11.686 -4.327 186 HZ3 TRP 29 3HZ TRP 29 -6.542 8.623 -1.696 187 HH2 TRP 29 HH TRP 29 -7.830 10.657 -2.098 188 H THR 30 H THR 30 -0.910 7.082 -4.704 189 HA THR 30 HA THR 30 -0.121 5.267 -6.866 190 HB THR 30 HB THR 30 1.587 6.835 -4.925 191 HG1 THR 30 1HG THR 30 0.614 8.148 -6.507 192 HG21 THR 30 3HG2 THR 30 3.213 6.104 -6.988 193 HG22 THR 30 1HG2 THR 30 2.200 4.672 -6.813 194 HG23 THR 30 2HG2 THR 30 3.125 5.271 -5.436 195 H PHE 31 H PHE 31 -0.701 3.244 -6.225 196 HA PHE 31 HA PHE 31 -0.024 2.340 -3.536 197 HB2 PHE 31 1HB PHE 31 -1.403 0.455 -3.952 198 HB3 PHE 31 2HB PHE 31 -2.247 1.827 -4.663 199 HD1 PHE 31 1HD PHE 31 -2.192 2.154 -7.129 200 HD2 PHE 31 2HD PHE 31 -0.697 -1.368 -5.267 201 HE1 PHE 31 1HE PHE 31 -2.297 0.974 -9.287 202 HE2 PHE 31 2HE PHE 31 -0.797 -2.554 -7.420 203 HZ PHE 31 HZ PHE 31 -1.597 -1.383 -9.434 204 H LEU 32 H LEU 32 1.017 0.190 -3.290 205 HA LEU 32 HA LEU 32 2.596 -0.888 -5.399 206 HB2 LEU 32 1HB LEU 32 4.767 -0.254 -4.717 207 HB3 LEU 32 2HB LEU 32 3.819 1.226 -4.849 208 HG LEU 32 HG LEU 32 3.501 0.863 -2.260 209 HD11 LEU 32 1HD1 LEU 32 6.258 -0.211 -2.407 210 HD12 LEU 32 2HD1 LEU 32 4.928 -1.343 -2.651 211 HD13 LEU 32 3HD1 LEU 32 5.026 -0.407 -1.159 212 HD21 LEU 32 3HD2 LEU 32 5.226 2.420 -1.885 213 HD22 LEU 32 1HD2 LEU 32 4.665 2.728 -3.528 214 HD23 LEU 32 2HD2 LEU 32 6.163 1.837 -3.261 215 H VAL 33 H VAL 33 3.129 -2.944 -4.937 216 HA VAL 33 HA VAL 33 2.471 -3.944 -2.278 217 HB VAL 33 HB VAL 33 3.185 -5.477 -4.782 218 HG11 VAL 33 1HG1 VAL 33 3.641 -6.734 -2.746 219 HG12 VAL 33 2HG1 VAL 33 2.007 -6.410 -2.166 220 HG13 VAL 33 3HG1 VAL 33 2.253 -7.408 -3.598 221 HG21 VAL 33 3HG2 VAL 33 0.623 -4.417 -3.713 222 HG22 VAL 33 1HG2 VAL 33 1.164 -4.605 -5.381 223 HG23 VAL 33 2HG2 VAL 33 0.607 -6.009 -4.471 224 H ARG 34 H ARG 34 3.893 -4.940 -0.914 225 HA ARG 34 HA ARG 34 6.628 -5.432 -1.755 226 HB2 ARG 34 1HB ARG 34 7.604 -4.076 0.045 227 HB3 ARG 34 2HB ARG 34 6.707 -3.084 -1.097 228 HG2 ARG 34 1HG ARG 34 4.839 -2.953 0.441 229 HG3 ARG 34 2HG ARG 34 5.678 -4.012 1.575 230 HD2 ARG 34 1HD ARG 34 7.360 -2.383 1.980 231 HD3 ARG 34 2HD ARG 34 6.804 -1.384 0.638 232 HE ARG 34 HE ARG 34 5.263 -0.454 2.038 233 HH11 ARG 34 2HH1 ARG 34 6.326 -3.476 3.400 234 HH12 ARG 34 1HH1 ARG 34 5.453 -3.265 4.881 235 HH21 ARG 34 2HH2 ARG 34 4.109 -0.165 3.984 236 HH22 ARG 34 1HH2 ARG 34 4.192 -1.382 5.212 237 H GLU 35 H GLU 35 7.503 -7.126 -0.708 238 HA GLU 35 HA GLU 35 5.946 -8.818 0.865 239 HB2 GLU 35 1HB GLU 35 8.874 -8.633 0.280 240 HB3 GLU 35 2HB GLU 35 8.317 -9.755 1.514 241 HG2 GLU 35 1HG GLU 35 6.750 -10.700 -0.214 242 HG3 GLU 35 2HG GLU 35 7.615 -9.729 -1.405 243 H SER 36 H SER 36 6.527 -9.577 3.100 244 HA SER 36 HA SER 36 6.652 -7.254 4.851 245 HB2 SER 36 1HB SER 36 5.789 -8.690 6.571 246 HB3 SER 36 2HB SER 36 4.881 -9.033 5.100 247 HG SER 36 HG SER 36 7.118 -10.533 5.994 248 H LEU 37 H LEU 37 7.745 -7.898 7.100 249 HA LEU 37 HA LEU 37 10.464 -8.831 6.449 250 HB2 LEU 37 1HB LEU 37 9.618 -6.791 8.501 251 HB3 LEU 37 2HB LEU 37 11.270 -7.334 8.213 252 HG LEU 37 HG LEU 37 9.717 -6.077 5.990 253 HD11 LEU 37 1HD1 LEU 37 9.614 -4.678 8.145 254 HD12 LEU 37 2HD1 LEU 37 10.187 -3.902 6.668 255 HD13 LEU 37 3HD1 LEU 37 11.341 -4.428 7.892 256 HD21 LEU 37 3HD2 LEU 37 12.364 -7.020 6.413 257 HD22 LEU 37 1HD2 LEU 37 12.429 -5.274 6.175 258 HD23 LEU 37 2HD2 LEU 37 11.668 -6.301 4.960 259 H SER 38 H SER 38 8.207 -8.464 9.184 260 HA SER 38 HA SER 38 9.456 -10.794 10.456 261 HB2 SER 38 1HB SER 38 7.789 -8.518 11.501 262 HB3 SER 38 2HB SER 38 7.965 -10.006 12.431 263 HG SER 38 HG SER 38 9.866 -8.059 11.798 264 H GLN 39 H GLN 39 6.187 -9.452 9.963 265 HA GLN 39 HA GLN 39 4.577 -11.458 10.706 266 HB2 GLN 39 1HB GLN 39 4.444 -9.665 8.311 267 HB3 GLN 39 2HB GLN 39 3.214 -10.901 8.542 268 HG2 GLN 39 1HG GLN 39 2.471 -8.775 9.424 269 HG3 GLN 39 2HG GLN 39 2.664 -9.953 10.721 270 HE21 GLN 39 1HE2 GLN 39 4.813 -7.714 8.995 271 HE22 GLN 39 2HE2 GLN 39 5.483 -6.993 10.415 272 HA PRO 40 HA PRO 40 5.909 -15.060 8.500 273 HB2 PRO 40 1HB PRO 40 3.855 -16.674 9.240 274 HB3 PRO 40 2HB PRO 40 5.182 -16.248 10.327 275 HG2 PRO 40 1HG PRO 40 2.429 -15.085 10.153 276 HG3 PRO 40 2HG PRO 40 3.373 -15.517 11.591 277 HD2 PRO 40 1HD PRO 40 3.157 -12.969 10.701 278 HD3 PRO 40 2HD PRO 40 4.614 -13.576 11.515 279 H GLY 41 H GLY 41 5.695 -15.371 6.379 280 HA2 GLY 41 1HA GLY 41 4.749 -15.109 4.262 281 HA3 GLY 41 2HA GLY 41 3.682 -16.335 4.930 282 H ASP 42 H ASP 42 4.101 -12.796 5.080 283 HA ASP 42 HA ASP 42 1.251 -12.511 4.459 284 HB2 ASP 42 1HB ASP 42 1.902 -12.311 7.004 285 HB3 ASP 42 2HB ASP 42 2.447 -10.708 6.524 286 H PHE 43 H PHE 43 0.684 -10.571 3.427 287 HA PHE 43 HA PHE 43 2.980 -9.107 2.309 288 HB2 PHE 43 1HB PHE 43 0.201 -9.384 1.145 289 HB3 PHE 43 2HB PHE 43 1.593 -8.631 0.372 290 HD1 PHE 43 1HD PHE 43 0.710 -11.888 1.968 291 HD2 PHE 43 2HD PHE 43 2.677 -9.867 -1.219 292 HE1 PHE 43 1HE PHE 43 1.323 -14.056 0.978 293 HE2 PHE 43 2HE PHE 43 3.293 -12.030 -2.216 294 HZ PHE 43 HZ PHE 43 2.616 -14.128 -1.118 295 H VAL 44 H VAL 44 2.410 -6.818 1.619 296 HA VAL 44 HA VAL 44 0.517 -5.540 3.458 297 HB VAL 44 HB VAL 44 3.404 -4.720 3.122 298 HG11 VAL 44 1HG1 VAL 44 2.965 -2.799 4.429 299 HG12 VAL 44 2HG1 VAL 44 1.722 -2.830 3.176 300 HG13 VAL 44 3HG1 VAL 44 1.335 -3.346 4.818 301 HG21 VAL 44 3HG2 VAL 44 2.114 -6.436 4.969 302 HG22 VAL 44 1HG2 VAL 44 3.791 -5.891 4.966 303 HG23 VAL 44 2HG2 VAL 44 2.565 -4.964 5.831 304 H LEU 45 H LEU 45 -0.599 -3.890 2.580 305 HA LEU 45 HA LEU 45 0.101 -3.116 -0.168 306 HB2 LEU 45 1HB LEU 45 -2.053 -4.047 -0.135 307 HB3 LEU 45 2HB LEU 45 -2.491 -3.190 1.342 308 HG LEU 45 HG LEU 45 -2.428 -1.062 0.006 309 HD11 LEU 45 1HD1 LEU 45 -1.519 -2.925 -2.017 310 HD12 LEU 45 2HD1 LEU 45 -1.464 -1.162 -1.996 311 HD13 LEU 45 3HD1 LEU 45 -2.917 -1.992 -2.553 312 HD21 LEU 45 3HD2 LEU 45 -4.591 -1.638 0.355 313 HD22 LEU 45 1HD2 LEU 45 -4.378 -3.266 -0.287 314 HD23 LEU 45 2HD2 LEU 45 -4.550 -1.900 -1.389 315 H SER 46 H SER 46 0.883 -1.152 -0.513 316 HA SER 46 HA SER 46 0.411 0.924 1.525 317 HB2 SER 46 1HB SER 46 2.562 1.893 0.258 318 HB3 SER 46 2HB SER 46 2.695 0.755 1.600 319 HG SER 46 HG SER 46 3.047 -0.888 0.173 320 H VAL 47 H VAL 47 -0.049 3.032 0.856 321 HA VAL 47 HA VAL 47 -0.362 3.613 -1.965 322 HB VAL 47 HB VAL 47 -2.760 3.596 -0.126 323 HG11 VAL 47 1HG1 VAL 47 -2.257 4.838 -2.782 324 HG12 VAL 47 2HG1 VAL 47 -3.851 4.153 -2.461 325 HG13 VAL 47 3HG1 VAL 47 -3.211 5.427 -1.422 326 HG21 VAL 47 3HG2 VAL 47 -3.669 1.950 -1.693 327 HG22 VAL 47 1HG2 VAL 47 -2.165 1.995 -2.613 328 HG23 VAL 47 2HG2 VAL 47 -2.170 1.377 -0.961 329 H LEU 48 H LEU 48 -0.388 5.794 -2.415 330 HA LEU 48 HA LEU 48 0.129 7.548 -0.117 331 HB2 LEU 48 1HB LEU 48 1.846 7.292 -1.939 332 HB3 LEU 48 2HB LEU 48 0.712 8.098 -3.019 333 HG LEU 48 HG LEU 48 0.796 10.081 -1.496 334 HD11 LEU 48 1HD1 LEU 48 2.600 10.249 0.107 335 HD12 LEU 48 2HD1 LEU 48 3.119 8.607 -0.265 336 HD13 LEU 48 3HD1 LEU 48 1.561 8.883 0.511 337 HD21 LEU 48 3HD2 LEU 48 3.164 9.060 -3.005 338 HD22 LEU 48 1HD2 LEU 48 3.264 10.597 -2.145 339 HD23 LEU 48 2HD2 LEU 48 2.054 10.371 -3.408 340 H SER 49 H SER 49 -1.831 8.291 0.521 341 HA SER 49 HA SER 49 -4.007 8.886 -1.126 342 HB2 SER 49 1HB SER 49 -4.791 10.289 0.826 343 HB3 SER 49 2HB SER 49 -4.370 8.625 1.228 344 HG SER 49 HG SER 49 -2.156 9.865 1.550 345 H ASP 50 H ASP 50 -4.892 10.908 -1.786 346 HA ASP 50 HA ASP 50 -2.924 12.693 -2.856 347 HB2 ASP 50 1HB ASP 50 -4.616 13.550 -4.155 348 HB3 ASP 50 2HB ASP 50 -5.301 11.971 -3.777 349 H GLN 51 H GLN 51 -4.251 12.448 0.150 350 HA GLN 51 HA GLN 51 -4.524 15.287 0.674 351 HB2 GLN 51 1HB GLN 51 -4.721 12.890 2.504 352 HB3 GLN 51 2HB GLN 51 -5.025 14.551 2.995 353 HG2 GLN 51 1HG GLN 51 -6.990 14.692 1.792 354 HG3 GLN 51 2HG GLN 51 -6.543 13.369 0.715 355 HE21 GLN 51 1HE2 GLN 51 -7.234 11.379 1.169 356 HE22 GLN 51 2HE2 GLN 51 -8.060 10.918 2.614 357 HA PRO 52 HA PRO 52 -0.144 15.529 1.566 358 HB2 PRO 52 1HB PRO 52 -0.127 18.211 1.985 359 HB3 PRO 52 2HB PRO 52 -0.150 17.492 0.371 360 HG2 PRO 52 1HG PRO 52 -2.414 18.614 1.977 361 HG3 PRO 52 2HG PRO 52 -2.058 18.815 0.251 362 HD2 PRO 52 1HD PRO 52 -3.919 17.072 1.161 363 HD3 PRO 52 2HD PRO 52 -2.961 16.769 -0.303 364 H LYS 53 H LYS 53 1.074 15.710 3.421 365 HA LYS 53 HA LYS 53 -0.069 15.227 5.879 366 HB2 LYS 53 1HB LYS 53 2.608 16.226 5.013 367 HB3 LYS 53 2HB LYS 53 2.216 16.261 6.727 368 HG2 LYS 53 1HG LYS 53 1.557 13.782 6.377 369 HG3 LYS 53 2HG LYS 53 2.528 13.912 4.909 370 HD2 LYS 53 1HD LYS 53 4.104 13.194 6.426 371 HD3 LYS 53 2HD LYS 53 4.303 14.945 6.531 372 HE2 LYS 53 1HE LYS 53 2.729 14.921 8.475 373 HE3 LYS 53 2HE LYS 53 2.771 13.159 8.415 374 HZ1 LYS 53 3HZ LYS 53 4.871 13.089 9.224 375 HZ2 LYS 53 1HZ LYS 53 4.397 14.550 9.935 376 HZ3 LYS 53 2HZ LYS 53 5.331 14.559 8.525 377 H ALA 54 H ALA 54 1.049 18.341 4.585 378 HA ALA 54 HA ALA 54 -0.544 19.675 6.678 379 HB1 ALA 54 1HB ALA 54 2.229 19.983 6.011 380 HB2 ALA 54 2HB ALA 54 1.370 21.502 5.751 381 HB3 ALA 54 3HB ALA 54 1.308 20.713 7.326 382 H GLY 55 H GLY 55 0.843 20.161 3.425 383 HA2 GLY 55 1HA GLY 55 -1.623 20.871 2.251 384 HA3 GLY 55 2HA GLY 55 -0.755 22.335 2.689 385 HA PRO 56 HA PRO 56 0.664 21.488 -1.545 386 HB2 PRO 56 1HB PRO 56 1.246 24.084 -2.088 387 HB3 PRO 56 2HB PRO 56 -0.386 23.418 -2.218 388 HG2 PRO 56 1HG PRO 56 0.838 25.014 -0.000 389 HG3 PRO 56 2HG PRO 56 -0.775 25.156 -0.723 390 HD2 PRO 56 1HD PRO 56 -0.338 23.883 1.627 391 HD3 PRO 56 2HD PRO 56 -1.615 23.389 0.496 392 H GLY 57 H GLY 57 2.522 20.362 -0.786 393 HA2 GLY 57 1HA GLY 57 4.960 21.030 -1.433 394 HA3 GLY 57 2HA GLY 57 4.813 22.009 0.019 395 H SER 58 H SER 58 3.231 20.094 1.486 396 HA SER 58 HA SER 58 5.357 18.532 2.566 397 HB2 SER 58 1HB SER 58 3.771 17.799 4.206 398 HB3 SER 58 2HB SER 58 3.422 19.496 3.878 399 HG SER 58 HG SER 58 1.940 18.331 2.185 400 HA PRO 59 HA PRO 59 4.999 14.787 0.307 401 HB2 PRO 59 1HB PRO 59 5.680 12.973 2.209 402 HB3 PRO 59 2HB PRO 59 6.852 14.062 1.458 403 HG2 PRO 59 1HG PRO 59 5.465 14.302 4.100 404 HG3 PRO 59 2HG PRO 59 7.164 14.612 3.696 405 HD2 PRO 59 1HD PRO 59 5.345 16.600 3.966 406 HD3 PRO 59 2HD PRO 59 6.709 16.701 2.834 407 H LEU 60 H LEU 60 3.097 13.987 -0.321 408 HA LEU 60 HA LEU 60 0.730 13.842 0.943 409 HB2 LEU 60 1HB LEU 60 1.923 11.870 -0.988 410 HB3 LEU 60 2HB LEU 60 0.245 11.784 -0.458 411 HG LEU 60 HG LEU 60 1.465 14.132 -1.909 412 HD11 LEU 60 1HD1 LEU 60 0.103 11.663 -2.863 413 HD12 LEU 60 2HD1 LEU 60 1.437 12.569 -3.578 414 HD13 LEU 60 3HD1 LEU 60 -0.211 13.186 -3.697 415 HD21 LEU 60 3HD2 LEU 60 -1.395 13.453 -1.227 416 HD22 LEU 60 1HD2 LEU 60 -0.863 14.827 -2.195 417 HD23 LEU 60 2HD2 LEU 60 -0.423 14.728 -0.490 418 H ARG 61 H ARG 61 -0.464 12.275 2.111 419 HA ARG 61 HA ARG 61 1.077 10.929 4.117 420 HB2 ARG 61 1HB ARG 61 -1.307 12.067 4.235 421 HB3 ARG 61 2HB ARG 61 -1.853 10.456 3.790 422 HG2 ARG 61 1HG ARG 61 -1.932 10.272 6.052 423 HG3 ARG 61 2HG ARG 61 -0.268 9.751 5.779 424 HD2 ARG 61 1HD ARG 61 0.588 11.881 6.387 425 HD3 ARG 61 2HD ARG 61 -1.019 12.605 6.366 426 HE ARG 61 HE ARG 61 -0.701 10.462 8.267 427 HH11 ARG 61 2HH1 ARG 61 -0.418 13.885 7.701 428 HH12 ARG 61 1HH1 ARG 61 -0.550 14.305 9.376 429 HH21 ARG 61 2HH2 ARG 61 -0.877 11.003 10.477 430 HH22 ARG 61 1HH2 ARG 61 -0.810 12.665 10.954 431 H VAL 62 H VAL 62 1.229 8.725 4.515 432 HA VAL 62 HA VAL 62 0.612 7.011 2.201 433 HB VAL 62 HB VAL 62 2.710 6.573 4.329 434 HG11 VAL 62 1HG1 VAL 62 2.124 4.454 3.559 435 HG12 VAL 62 2HG1 VAL 62 1.873 5.018 1.906 436 HG13 VAL 62 3HG1 VAL 62 3.508 4.889 2.556 437 HG21 VAL 62 3HG2 VAL 62 2.754 8.302 2.111 438 HG22 VAL 62 1HG2 VAL 62 4.103 7.834 3.145 439 HG23 VAL 62 2HG2 VAL 62 3.754 6.914 1.683 440 H THR 63 H THR 63 -0.402 5.056 2.493 441 HA THR 63 HA THR 63 -1.460 4.542 5.198 442 HB THR 63 HB THR 63 -2.819 3.969 2.557 443 HG1 THR 63 1HG THR 63 -3.829 5.720 4.512 444 HG21 THR 63 3HG2 THR 63 -3.995 3.738 5.319 445 HG22 THR 63 1HG2 THR 63 -3.253 2.373 4.486 446 HG23 THR 63 2HG2 THR 63 -4.669 3.164 3.794 447 H HIS 64 H HIS 64 -0.543 2.799 6.049 448 HA HIS 64 HA HIS 64 0.357 0.638 4.286 449 HB2 HIS 64 1HB HIS 64 0.922 0.950 7.236 450 HB3 HIS 64 2HB HIS 64 1.755 -0.093 6.088 451 HD1 HIS 64 1HD HIS 64 2.956 1.401 4.045 452 HD2 HIS 64 2HD HIS 64 2.265 3.240 7.706 453 HE1 HIS 64 1HE HIS 64 4.495 3.388 4.099 454 HE2 HIS 64 2HE HIS 64 4.120 4.437 6.359 455 H ILE 65 H ILE 65 -1.148 -0.858 3.923 456 HA ILE 65 HA ILE 65 -2.871 -1.686 6.164 457 HB ILE 65 HB ILE 65 -3.363 -1.998 3.200 458 HG12 ILE 65 1HG1 ILE 65 -5.024 -0.331 5.055 459 HG13 ILE 65 2HG1 ILE 65 -3.532 0.330 4.395 460 HG21 ILE 65 1HG2 ILE 65 -4.794 -3.595 3.781 461 HG22 ILE 65 2HG2 ILE 65 -4.509 -3.300 5.495 462 HG23 ILE 65 3HG2 ILE 65 -5.731 -2.367 4.633 463 HD11 ILE 65 3HD1 ILE 65 -5.296 -0.906 2.414 464 HD12 ILE 65 1HD1 ILE 65 -5.965 0.511 3.221 465 HD13 ILE 65 2HD1 ILE 65 -4.426 0.626 2.368 466 H LYS 66 H LYS 66 -2.042 -3.434 7.110 467 HA LYS 66 HA LYS 66 -0.329 -5.295 5.851 468 HB2 LYS 66 1HB LYS 66 -1.763 -5.149 8.461 469 HB3 LYS 66 2HB LYS 66 -1.123 -6.707 7.957 470 HG2 LYS 66 1HG LYS 66 1.089 -5.462 7.592 471 HG3 LYS 66 2HG LYS 66 0.359 -4.175 8.557 472 HD2 LYS 66 1HD LYS 66 -0.031 -5.792 10.375 473 HD3 LYS 66 2HD LYS 66 0.756 -7.044 9.411 474 HE2 LYS 66 1HE LYS 66 2.475 -6.330 10.781 475 HE3 LYS 66 2HE LYS 66 2.738 -5.370 9.326 476 HZ1 LYS 66 3HZ LYS 66 1.664 -4.518 11.933 477 HZ2 LYS 66 1HZ LYS 66 1.282 -3.647 10.533 478 HZ3 LYS 66 2HZ LYS 66 2.896 -3.820 11.008 479 H VAL 67 H VAL 67 -0.980 -6.526 4.204 480 HA VAL 67 HA VAL 67 -3.693 -7.459 3.966 481 HB VAL 67 HB VAL 67 -1.256 -8.114 2.304 482 HG11 VAL 67 1HG1 VAL 67 -3.944 -9.193 2.318 483 HG12 VAL 67 2HG1 VAL 67 -3.530 -8.471 0.761 484 HG13 VAL 67 3HG1 VAL 67 -2.513 -9.740 1.446 485 HG21 VAL 67 3HG2 VAL 67 -1.579 -6.209 1.193 486 HG22 VAL 67 1HG2 VAL 67 -3.313 -6.503 1.058 487 HG23 VAL 67 2HG2 VAL 67 -2.659 -5.728 2.502 488 H MET 68 H MET 68 -4.420 -9.132 5.092 489 HA MET 68 HA MET 68 -2.616 -11.133 6.140 490 HB2 MET 68 1HB MET 68 -5.553 -10.581 6.432 491 HB3 MET 68 2HB MET 68 -4.870 -12.106 6.984 492 HG2 MET 68 1HG MET 68 -3.573 -11.074 8.618 493 HG3 MET 68 2HG MET 68 -3.723 -9.488 7.866 494 HE1 MET 68 3HE MET 68 -6.872 -8.068 8.626 495 HE2 MET 68 1HE MET 68 -6.027 -8.712 7.218 496 HE3 MET 68 2HE MET 68 -7.508 -9.483 7.785 497 H CYS 69 H CYS 69 -2.853 -13.407 5.779 498 HA CYS 69 HA CYS 69 -4.121 -14.077 3.206 499 HB2 CYS 69 1HB CYS 69 -1.761 -14.048 2.809 500 HB3 CYS 69 2HB CYS 69 -1.440 -14.955 4.282 501 HG CYS 69 HG CYS 69 -2.031 -16.064 1.237 502 H GLU 70 H GLU 70 -5.326 -15.902 3.130 503 HA GLU 70 HA GLU 70 -5.302 -17.662 5.487 504 HB2 GLU 70 1HB GLU 70 -7.635 -16.298 4.190 505 HB3 GLU 70 2HB GLU 70 -7.860 -17.848 4.988 506 HG2 GLU 70 1HG GLU 70 -6.733 -15.377 6.284 507 HG3 GLU 70 2HG GLU 70 -8.393 -15.949 6.443 508 H GLY 71 H GLY 71 -3.965 -19.018 4.117 509 HA2 GLY 71 1HA GLY 71 -3.801 -20.999 2.940 510 HA3 GLY 71 2HA GLY 71 -5.543 -20.961 2.715 511 H GLY 72 H GLY 72 -2.784 -18.942 1.680 512 HA2 GLY 72 1HA GLY 72 -2.046 -18.550 -0.499 513 HA3 GLY 72 2HA GLY 72 -3.395 -19.505 -1.101 514 H ARG 73 H ARG 73 -5.499 -18.137 0.173 515 HA ARG 73 HA ARG 73 -5.772 -15.917 -1.618 516 HB2 ARG 73 1HB ARG 73 -7.518 -17.288 0.375 517 HB3 ARG 73 2HB ARG 73 -7.957 -15.664 -0.138 518 HG2 ARG 73 1HG ARG 73 -8.409 -16.315 -2.290 519 HG3 ARG 73 2HG ARG 73 -7.340 -17.716 -2.205 520 HD2 ARG 73 1HD ARG 73 -8.934 -18.788 -0.649 521 HD3 ARG 73 2HD ARG 73 -10.014 -17.409 -0.844 522 HE ARG 73 HE ARG 73 -9.690 -18.194 -3.376 523 HH11 ARG 73 2HH1 ARG 73 -10.397 -19.999 -0.484 524 HH12 ARG 73 1HH1 ARG 73 -11.303 -21.222 -1.312 525 HH21 ARG 73 2HH2 ARG 73 -10.882 -19.797 -4.478 526 HH22 ARG 73 1HH2 ARG 73 -11.578 -21.106 -3.584 527 H TYR 74 H TYR 74 -6.330 -13.741 -0.967 528 HA TYR 74 HA TYR 74 -5.079 -12.972 1.590 529 HB2 TYR 74 1HB TYR 74 -5.133 -11.361 -0.970 530 HB3 TYR 74 2HB TYR 74 -4.339 -10.906 0.534 531 HD1 TYR 74 1HD TYR 74 -2.916 -13.273 1.352 532 HD2 TYR 74 2HD TYR 74 -3.506 -11.732 -2.570 533 HE1 TYR 74 1HE TYR 74 -0.857 -14.394 0.608 534 HE2 TYR 74 2HE TYR 74 -1.450 -12.850 -3.325 535 HH TYR 74 HH TYR 74 -0.019 -14.698 -2.692 536 H THR 75 H THR 75 -6.032 -11.320 2.783 537 HA THR 75 HA THR 75 -8.600 -10.274 1.835 538 HB THR 75 HB THR 75 -9.145 -12.240 3.199 539 HG1 THR 75 1HG THR 75 -10.221 -10.801 4.979 540 HG21 THR 75 3HG2 THR 75 -8.170 -12.731 5.158 541 HG22 THR 75 1HG2 THR 75 -8.330 -11.077 5.750 542 HG23 THR 75 2HG2 THR 75 -6.968 -11.516 4.720 543 H VAL 76 H VAL 76 -9.451 -8.597 3.472 544 HA VAL 76 HA VAL 76 -7.229 -7.115 4.698 545 HB VAL 76 HB VAL 76 -8.166 -4.993 3.857 546 HG11 VAL 76 1HG1 VAL 76 -6.655 -6.886 2.450 547 HG12 VAL 76 2HG1 VAL 76 -7.787 -6.204 1.280 548 HG13 VAL 76 3HG1 VAL 76 -6.708 -5.142 2.187 549 HG21 VAL 76 3HG2 VAL 76 -9.678 -5.656 1.667 550 HG22 VAL 76 1HG2 VAL 76 -10.249 -6.793 2.888 551 HG23 VAL 76 2HG2 VAL 76 -10.306 -5.058 3.203 552 H GLY 77 H GLY 77 -7.841 -7.533 6.784 553 HA2 GLY 77 1HA GLY 77 -9.179 -7.569 8.673 554 HA3 GLY 77 2HA GLY 77 -9.515 -5.921 8.162 555 H GLY 78 H GLY 78 -10.491 -8.635 6.207 556 HA2 GLY 78 1HA GLY 78 -13.242 -8.417 7.215 557 HA3 GLY 78 2HA GLY 78 -12.940 -8.136 5.507 558 H LEU 79 H LEU 79 -14.692 -10.053 6.055 559 HA LEU 79 HA LEU 79 -13.455 -12.633 6.340 560 HB2 LEU 79 1HB LEU 79 -16.214 -11.610 5.908 561 HB3 LEU 79 2HB LEU 79 -15.873 -13.287 5.488 562 HG LEU 79 HG LEU 79 -15.023 -13.567 7.859 563 HD11 LEU 79 1HD1 LEU 79 -16.676 -11.235 8.634 564 HD12 LEU 79 2HD1 LEU 79 -15.051 -10.915 8.032 565 HD13 LEU 79 3HD1 LEU 79 -15.281 -11.957 9.436 566 HD21 LEU 79 3HD2 LEU 79 -17.719 -13.436 6.831 567 HD22 LEU 79 1HD2 LEU 79 -17.673 -13.106 8.564 568 HD23 LEU 79 2HD2 LEU 79 -16.988 -14.604 7.932 569 H GLU 80 H GLU 80 -14.380 -10.547 3.718 570 HA GLU 80 HA GLU 80 -14.583 -12.361 1.622 571 HB2 GLU 80 1HB GLU 80 -13.755 -9.489 1.798 572 HB3 GLU 80 2HB GLU 80 -13.592 -10.343 0.270 573 HG2 GLU 80 1HG GLU 80 -15.840 -10.507 -0.044 574 HG3 GLU 80 2HG GLU 80 -16.195 -10.508 1.682 575 H THR 81 H THR 81 -12.991 -12.659 -0.168 576 HA THR 81 HA THR 81 -10.196 -12.650 0.687 577 HB THR 81 HB THR 81 -9.838 -14.977 0.075 578 HG1 THR 81 1HG THR 81 -12.630 -15.372 -0.108 579 HG21 THR 81 3HG2 THR 81 -10.290 -14.688 2.381 580 HG22 THR 81 1HG2 THR 81 -11.265 -16.065 1.870 581 HG23 THR 81 2HG2 THR 81 -12.018 -14.486 2.094 582 H PHE 82 H PHE 82 -8.719 -13.258 -1.125 583 HA PHE 82 HA PHE 82 -9.857 -12.858 -3.786 584 HB2 PHE 82 1HB PHE 82 -7.618 -11.160 -2.663 585 HB3 PHE 82 2HB PHE 82 -8.180 -11.131 -4.331 586 HD1 PHE 82 2HD PHE 82 -8.972 -10.225 -0.873 587 HD2 PHE 82 1HD PHE 82 -10.237 -10.049 -4.934 588 HE1 PHE 82 2HE PHE 82 -10.638 -8.516 -0.276 589 HE2 PHE 82 1HE PHE 82 -11.904 -8.339 -4.343 590 HZ PHE 82 HZ PHE 82 -12.108 -7.572 -2.011 591 H ASP 83 H ASP 83 -8.649 -13.736 -5.455 592 HA ASP 83 HA ASP 83 -7.184 -16.009 -4.996 593 HB2 ASP 83 1HB ASP 83 -8.160 -15.083 -7.202 594 HB3 ASP 83 2HB ASP 83 -6.609 -14.267 -7.381 595 H SER 84 H SER 84 -5.910 -12.748 -5.619 596 HA SER 84 HA SER 84 -3.647 -13.183 -3.941 597 HB2 SER 84 1HB SER 84 -3.318 -13.378 -6.920 598 HB3 SER 84 2HB SER 84 -2.013 -12.731 -5.926 599 HG SER 84 HG SER 84 -2.913 -15.313 -6.189 600 H LEU 85 H LEU 85 -1.942 -11.291 -4.557 601 HA LEU 85 HA LEU 85 -3.067 -8.911 -3.802 602 HB2 LEU 85 1HB LEU 85 -0.555 -9.658 -5.189 603 HB3 LEU 85 2HB LEU 85 -1.000 -7.953 -5.183 604 HG LEU 85 HG LEU 85 0.552 -8.454 -3.383 605 HD11 LEU 85 1HD1 LEU 85 -2.155 -8.007 -2.157 606 HD12 LEU 85 2HD1 LEU 85 -1.335 -6.783 -3.127 607 HD13 LEU 85 3HD1 LEU 85 -0.594 -7.369 -1.637 608 HD21 LEU 85 3HD2 LEU 85 -0.560 -10.877 -3.222 609 HD22 LEU 85 1HD2 LEU 85 -1.420 -10.085 -1.901 610 HD23 LEU 85 2HD2 LEU 85 0.342 -10.148 -1.892 611 H THR 86 H THR 86 -2.778 -10.233 -7.034 612 HA THR 86 HA THR 86 -3.424 -7.897 -8.477 613 HB THR 86 HB THR 86 -3.939 -10.773 -9.260 614 HG1 THR 86 1HG THR 86 -1.759 -9.193 -10.121 615 HG21 THR 86 3HG2 THR 86 -4.419 -8.230 -10.593 616 HG22 THR 86 1HG2 THR 86 -4.978 -9.847 -11.015 617 HG23 THR 86 2HG2 THR 86 -3.382 -9.303 -11.532 618 H ASP 87 H ASP 87 -5.489 -10.702 -7.695 619 HA ASP 87 HA ASP 87 -7.891 -9.577 -8.577 620 HB2 ASP 87 1HB ASP 87 -7.317 -12.019 -7.863 621 HB3 ASP 87 2HB ASP 87 -7.811 -11.483 -6.260 622 H LEU 88 H LEU 88 -6.368 -9.533 -5.381 623 HA LEU 88 HA LEU 88 -8.473 -8.239 -4.026 624 HB2 LEU 88 1HB LEU 88 -6.647 -9.433 -2.902 625 HB3 LEU 88 2HB LEU 88 -5.516 -8.189 -3.433 626 HG LEU 88 HG LEU 88 -7.854 -7.375 -1.775 627 HD11 LEU 88 1HD1 LEU 88 -6.144 -9.420 -0.935 628 HD12 LEU 88 2HD1 LEU 88 -7.252 -8.472 0.055 629 HD13 LEU 88 3HD1 LEU 88 -5.575 -7.960 -0.126 630 HD21 LEU 88 3HD2 LEU 88 -6.211 -5.753 -0.932 631 HD22 LEU 88 1HD2 LEU 88 -6.380 -5.676 -2.686 632 HD23 LEU 88 2HD2 LEU 88 -4.980 -6.476 -1.970 633 H VAL 89 H VAL 89 -5.343 -6.859 -5.054 634 HA VAL 89 HA VAL 89 -5.913 -4.200 -4.584 635 HB VAL 89 HB VAL 89 -4.219 -5.327 -6.817 636 HG11 VAL 89 1HG1 VAL 89 -3.581 -2.708 -5.629 637 HG12 VAL 89 2HG1 VAL 89 -3.477 -3.253 -7.304 638 HG13 VAL 89 3HG1 VAL 89 -5.032 -2.762 -6.631 639 HG21 VAL 89 3HG2 VAL 89 -2.923 -4.213 -4.440 640 HG22 VAL 89 1HG2 VAL 89 -3.866 -5.672 -4.135 641 HG23 VAL 89 2HG2 VAL 89 -2.574 -5.692 -5.336 642 H GLU 90 H GLU 90 -6.116 -5.803 -7.769 643 HA GLU 90 HA GLU 90 -7.217 -3.810 -9.255 644 HB2 GLU 90 1HB GLU 90 -7.661 -6.779 -9.308 645 HB3 GLU 90 2HB GLU 90 -8.503 -5.730 -10.441 646 HG2 GLU 90 1HG GLU 90 -6.110 -4.816 -10.928 647 HG3 GLU 90 2HG GLU 90 -5.600 -6.356 -10.240 648 H HIS 91 H HIS 91 -9.165 -6.279 -7.565 649 HA HIS 91 HA HIS 91 -11.664 -5.210 -8.016 650 HB2 HIS 91 1HB HIS 91 -11.459 -7.380 -7.018 651 HB3 HIS 91 2HB HIS 91 -10.615 -6.721 -5.620 652 HD1 HIS 91 1HD HIS 91 -13.942 -7.573 -6.846 653 HD2 HIS 91 2HD HIS 91 -12.340 -5.101 -3.914 654 HE1 HIS 91 1HE HIS 91 -15.854 -7.031 -5.305 655 HE2 HIS 91 2HE HIS 91 -14.880 -5.466 -3.588 656 H PHE 92 H PHE 92 -9.170 -4.054 -5.932 657 HA PHE 92 HA PHE 92 -10.992 -2.284 -4.495 658 HB2 PHE 92 1HB PHE 92 -8.197 -3.208 -4.115 659 HB3 PHE 92 2HB PHE 92 -8.571 -1.582 -3.552 660 HD1 PHE 92 2HD PHE 92 -11.121 -1.657 -2.386 661 HD2 PHE 92 1HD PHE 92 -8.159 -4.714 -2.397 662 HE1 PHE 92 2HE PHE 92 -12.084 -2.593 -0.324 663 HE2 PHE 92 1HE PHE 92 -9.117 -5.655 -0.336 664 HZ PHE 92 HZ PHE 92 -11.081 -4.594 0.704 665 H LYS 93 H LYS 93 -8.680 -2.247 -7.072 666 HA LYS 93 HA LYS 93 -8.103 0.518 -7.106 667 HB2 LYS 93 1HB LYS 93 -8.099 -1.470 -9.386 668 HB3 LYS 93 2HB LYS 93 -7.356 0.124 -9.423 669 HG2 LYS 93 1HG LYS 93 -6.100 -0.809 -7.293 670 HG3 LYS 93 2HG LYS 93 -6.470 -2.355 -8.060 671 HD2 LYS 93 1HD LYS 93 -5.178 -0.084 -9.551 672 HD3 LYS 93 2HD LYS 93 -4.240 -1.279 -8.651 673 HE2 LYS 93 1HE LYS 93 -5.169 -3.065 -10.003 674 HE3 LYS 93 2HE LYS 93 -6.199 -1.916 -10.856 675 HZ1 LYS 93 3HZ LYS 93 -3.405 -1.233 -10.919 676 HZ2 LYS 93 1HZ LYS 93 -4.530 -1.300 -12.180 677 HZ3 LYS 93 2HZ LYS 93 -3.750 -2.711 -11.667 678 H LYS 94 H LYS 94 -10.896 -1.246 -7.960 679 HA LYS 94 HA LYS 94 -11.943 1.006 -9.533 680 HB2 LYS 94 1HB LYS 94 -13.745 -0.636 -10.186 681 HB3 LYS 94 2HB LYS 94 -12.130 -1.019 -10.768 682 HG2 LYS 94 1HG LYS 94 -11.884 -2.592 -8.856 683 HG3 LYS 94 2HG LYS 94 -13.574 -2.286 -8.451 684 HD2 LYS 94 1HD LYS 94 -13.922 -2.909 -10.999 685 HD3 LYS 94 2HD LYS 94 -12.403 -3.772 -10.749 686 HE2 LYS 94 1HE LYS 94 -13.660 -4.637 -8.593 687 HE3 LYS 94 2HE LYS 94 -15.087 -4.246 -9.552 688 HZ1 LYS 94 3HZ LYS 94 -13.705 -5.596 -11.345 689 HZ2 LYS 94 1HZ LYS 94 -14.759 -6.352 -10.259 690 HZ3 LYS 94 2HZ LYS 94 -13.097 -6.336 -9.950 691 H THR 95 H THR 95 -12.617 -1.096 -6.784 692 HA THR 95 HA THR 95 -15.066 0.291 -6.128 693 HB THR 95 HB THR 95 -15.102 -1.166 -4.125 694 HG1 THR 95 1HG THR 95 -13.286 -2.937 -4.581 695 HG21 THR 95 3HG2 THR 95 -14.995 -3.392 -5.517 696 HG22 THR 95 1HG2 THR 95 -14.808 -2.285 -6.877 697 HG23 THR 95 2HG2 THR 95 -16.238 -2.187 -5.849 698 H GLY 96 H GLY 96 -11.936 -0.184 -4.474 699 HA2 GLY 96 1HA GLY 96 -10.759 1.764 -3.604 700 HA3 GLY 96 2HA GLY 96 -12.326 2.467 -3.234 701 H ILE 97 H ILE 97 -10.182 2.186 -1.396 702 HA ILE 97 HA ILE 97 -11.304 0.194 0.465 703 HB ILE 97 HB ILE 97 -8.475 1.232 0.282 704 HG12 ILE 97 1HG1 ILE 97 -9.324 -1.643 0.161 705 HG13 ILE 97 2HG1 ILE 97 -9.422 -0.636 -1.279 706 HG21 ILE 97 1HG2 ILE 97 -8.137 0.669 2.402 707 HG22 ILE 97 2HG2 ILE 97 -9.870 0.391 2.569 708 HG23 ILE 97 3HG2 ILE 97 -8.803 -0.940 2.119 709 HD11 ILE 97 3HD1 ILE 97 -7.351 -1.520 -1.557 710 HD12 ILE 97 1HD1 ILE 97 -6.929 -0.080 -0.630 711 HD13 ILE 97 2HD1 ILE 97 -7.047 -1.644 0.177 712 H GLU 98 H GLU 98 -11.957 0.854 2.440 713 HA GLU 98 HA GLU 98 -11.687 3.722 3.040 714 HB2 GLU 98 1HB GLU 98 -13.992 3.070 2.761 715 HB3 GLU 98 2HB GLU 98 -13.792 1.721 3.871 716 HG2 GLU 98 1HG GLU 98 -13.814 3.063 5.728 717 HG3 GLU 98 2HG GLU 98 -13.258 4.482 4.843 718 H GLU 99 H GLU 99 -11.202 4.392 5.156 719 HA GLU 99 HA GLU 99 -9.832 2.342 6.759 720 HB2 GLU 99 1HB GLU 99 -9.426 5.337 6.691 721 HB3 GLU 99 2HB GLU 99 -8.551 4.222 7.731 722 HG2 GLU 99 1HG GLU 99 -7.619 3.116 5.763 723 HG3 GLU 99 2HG GLU 99 -8.493 4.237 4.722 724 H ALA 100 H ALA 100 -10.099 2.288 9.007 725 HA ALA 100 HA ALA 100 -12.633 2.542 10.018 726 HB1 ALA 100 1HB ALA 100 -11.661 1.512 11.722 727 HB2 ALA 100 2HB ALA 100 -10.076 1.885 11.045 728 HB3 ALA 100 3HB ALA 100 -10.840 3.008 12.170 729 H SER 101 H SER 101 -9.973 4.881 10.377 730 HA SER 101 HA SER 101 -11.253 6.774 11.929 731 HB2 SER 101 1HB SER 101 -8.805 6.659 10.951 732 HB3 SER 101 2HB SER 101 -9.484 7.698 9.699 733 HG SER 101 HG SER 101 -8.642 8.946 11.387 734 H GLY 102 H GLY 102 -11.227 6.503 8.383 735 HA2 GLY 102 1HA GLY 102 -13.617 6.980 7.536 736 HA3 GLY 102 2HA GLY 102 -13.337 8.553 8.269 737 H ALA 103 H ALA 103 -10.821 6.741 6.649 738 HA ALA 103 HA ALA 103 -10.699 8.860 4.618 739 HB1 ALA 103 1HB ALA 103 -8.398 7.231 4.482 740 HB2 ALA 103 2HB ALA 103 -8.527 8.892 5.060 741 HB3 ALA 103 3HB ALA 103 -8.713 7.549 6.188 742 H PHE 104 H PHE 104 -10.154 8.265 2.418 743 HA PHE 104 HA PHE 104 -10.994 5.536 1.702 744 HB2 PHE 104 1HB PHE 104 -12.027 8.151 0.750 745 HB3 PHE 104 2HB PHE 104 -11.821 6.894 -0.465 746 HD1 PHE 104 2HD PHE 104 -12.944 4.649 -0.052 747 HD2 PHE 104 1HD PHE 104 -13.892 8.172 2.141 748 HE1 PHE 104 2HE PHE 104 -15.090 3.650 0.617 749 HE2 PHE 104 1HE PHE 104 -16.039 7.178 2.815 750 HZ PHE 104 HZ PHE 104 -16.642 4.915 2.052 751 H VAL 105 H VAL 105 -9.170 4.595 1.027 752 HA VAL 105 HA VAL 105 -7.131 6.076 -0.386 753 HB VAL 105 HB VAL 105 -7.323 3.145 0.319 754 HG11 VAL 105 1HG1 VAL 105 -5.938 3.234 -1.582 755 HG12 VAL 105 2HG1 VAL 105 -5.158 4.722 -1.045 756 HG13 VAL 105 3HG1 VAL 105 -4.837 3.205 -0.205 757 HG21 VAL 105 3HG2 VAL 105 -5.612 5.329 1.504 758 HG22 VAL 105 1HG2 VAL 105 -7.097 4.707 2.223 759 HG23 VAL 105 2HG2 VAL 105 -5.699 3.649 2.034 760 H TYR 106 H TYR 106 -6.774 6.114 -2.525 761 HA TYR 106 HA TYR 106 -8.436 4.370 -4.222 762 HB2 TYR 106 1HB TYR 106 -7.514 7.185 -4.835 763 HB3 TYR 106 2HB TYR 106 -8.509 6.171 -5.875 764 HD1 TYR 106 1HD TYR 106 -10.437 5.039 -3.973 765 HD2 TYR 106 2HD TYR 106 -8.866 8.984 -4.245 766 HE1 TYR 106 1HE TYR 106 -12.465 5.916 -2.892 767 HE2 TYR 106 2HE TYR 106 -10.889 9.871 -3.164 768 HH TYR 106 HH TYR 106 -12.763 8.577 -1.424 769 H LEU 107 H LEU 107 -7.455 3.251 -5.817 770 HA LEU 107 HA LEU 107 -4.554 3.648 -6.139 771 HB2 LEU 107 1HB LEU 107 -6.069 1.110 -6.693 772 HB3 LEU 107 2HB LEU 107 -4.323 1.325 -6.574 773 HG LEU 107 HG LEU 107 -4.980 2.044 -4.095 774 HD11 LEU 107 1HD1 LEU 107 -7.315 1.825 -4.181 775 HD12 LEU 107 2HD1 LEU 107 -6.751 0.379 -3.346 776 HD13 LEU 107 3HD1 LEU 107 -7.225 0.289 -5.042 777 HD21 LEU 107 3HD2 LEU 107 -3.655 0.302 -3.743 778 HD22 LEU 107 1HD2 LEU 107 -3.964 -0.277 -5.381 779 HD23 LEU 107 2HD2 LEU 107 -5.007 -0.790 -4.055 780 H ARG 108 H ARG 108 -4.490 4.996 -7.882 781 HA ARG 108 HA ARG 108 -6.038 4.332 -10.264 782 HB2 ARG 108 1HB ARG 108 -4.195 6.669 -9.725 783 HB3 ARG 108 2HB ARG 108 -5.222 6.475 -11.138 784 HG2 ARG 108 1HG ARG 108 -7.108 6.286 -9.297 785 HG3 ARG 108 2HG ARG 108 -5.936 7.214 -8.359 786 HD2 ARG 108 1HD ARG 108 -7.183 7.951 -10.999 787 HD3 ARG 108 2HD ARG 108 -7.390 8.762 -9.447 788 HE ARG 108 HE ARG 108 -4.736 8.958 -9.871 789 HH11 ARG 108 2HH1 ARG 108 -7.509 9.698 -11.840 790 HH12 ARG 108 1HH1 ARG 108 -6.721 10.982 -12.696 791 HH21 ARG 108 2HH2 ARG 108 -3.688 10.647 -10.990 792 HH22 ARG 108 1HH2 ARG 108 -4.547 11.521 -12.212 793 H GLN 109 H GLN 109 -2.655 4.739 -9.273 794 HA GLN 109 HA GLN 109 -1.856 2.883 -11.370 795 HB2 GLN 109 1HB GLN 109 -0.175 4.305 -12.298 796 HB3 GLN 109 2HB GLN 109 -1.686 5.204 -12.311 797 HG2 GLN 109 1HG GLN 109 0.171 5.522 -10.005 798 HG3 GLN 109 2HG GLN 109 0.540 6.326 -11.531 799 HE21 GLN 109 1HE2 GLN 109 0.091 7.785 -9.270 800 HE22 GLN 109 2HE2 GLN 109 -1.406 8.635 -9.406 801 HA PRO 110 HA PRO 110 0.771 1.393 -8.171 802 HB2 PRO 110 1HB PRO 110 2.569 0.033 -9.684 803 HB3 PRO 110 2HB PRO 110 0.921 -0.542 -9.401 804 HG2 PRO 110 1HG PRO 110 2.044 0.898 -11.774 805 HG3 PRO 110 2HG PRO 110 0.938 -0.487 -11.726 806 HD2 PRO 110 1HD PRO 110 0.083 2.045 -12.159 807 HD3 PRO 110 2HD PRO 110 -0.903 0.837 -11.311 808 H TYR 111 H TYR 111 3.442 0.952 -8.227 809 HA TYR 111 HA TYR 111 4.693 3.501 -8.968 810 HB2 TYR 111 1HB TYR 111 4.103 3.713 -6.617 811 HB3 TYR 111 2HB TYR 111 4.881 2.176 -6.256 812 HD1 TYR 111 1HD TYR 111 5.559 5.624 -7.461 813 HD2 TYR 111 2HD TYR 111 7.165 2.089 -5.719 814 HE1 TYR 111 1HE TYR 111 7.672 6.805 -7.027 815 HE2 TYR 111 2HE TYR 111 9.282 3.261 -5.279 816 HH TYR 111 HH TYR 111 9.615 6.552 -5.367 817 H TYR 112 H TYR 112 6.282 3.003 -10.316 818 HA TYR 112 HA TYR 112 7.689 0.454 -10.014 819 HB2 TYR 112 1HB TYR 112 8.015 2.410 -12.284 820 HB3 TYR 112 2HB TYR 112 8.386 0.690 -12.267 821 HD1 TYR 112 1HD TYR 112 6.065 -0.643 -11.350 822 HD2 TYR 112 2HD TYR 112 6.293 2.867 -13.743 823 HE1 TYR 112 1HE TYR 112 3.840 -1.137 -12.274 824 HE2 TYR 112 2HE TYR 112 4.068 2.384 -14.673 825 HH TYR 112 HH TYR 112 2.667 -0.249 -14.816 826 H SER 113 H SER 113 9.995 0.360 -10.098 827 HA SER 113 HA SER 113 11.238 2.661 -8.789 828 HB2 SER 113 1HB SER 113 11.538 0.565 -7.631 829 HB3 SER 113 2HB SER 113 12.136 -0.212 -9.097 830 HG SER 113 HG SER 113 13.970 0.330 -8.124 831 H GLY 114 H GLY 114 11.693 4.063 -10.456 832 HA2 GLY 114 1HA GLY 114 13.585 3.054 -12.491 833 HA3 GLY 114 2HA GLY 114 12.394 4.303 -12.822 834 HA PRO 115 HA PRO 115 16.571 5.975 -11.156 835 HB2 PRO 115 1HB PRO 115 17.829 6.526 -13.498 836 HB3 PRO 115 2HB PRO 115 18.018 4.990 -12.645 837 HG2 PRO 115 1HG PRO 115 16.271 5.655 -14.983 838 HG3 PRO 115 2HG PRO 115 17.274 4.218 -14.708 839 HD2 PRO 115 1HD PRO 115 14.598 4.228 -14.295 840 HD3 PRO 115 2HD PRO 115 15.709 3.235 -13.330 841 H SER 116 H SER 116 14.057 6.813 -13.267 842 HA SER 116 HA SER 116 14.686 9.672 -12.939 843 HB2 SER 116 1HB SER 116 14.916 8.873 -15.309 844 HB3 SER 116 2HB SER 116 13.200 8.469 -15.283 845 HG SER 116 HG SER 116 14.370 10.855 -15.687 846 H SER 117 H SER 117 12.953 11.064 -12.523 847 HA SER 117 HA SER 117 10.329 9.852 -12.068 848 HB2 SER 117 1HB SER 117 11.994 11.268 -9.990 849 HB3 SER 117 2HB SER 117 10.240 11.142 -9.854 850 HG SER 117 HG SER 117 12.187 9.121 -9.750 851 H GLY 118 H GLY 118 8.717 11.111 -12.761 852 HA2 GLY 118 1HA GLY 118 7.729 12.887 -13.856 853 HA3 GLY 118 2HA GLY 118 8.313 13.783 -12.462 854 H1 MET 1 H MET 1 11.535 11.596 15.096 855 HA MET 1 HA MET 1 13.151 9.347 15.150 856 HB2 MET 1 1HB MET 1 13.458 11.173 16.711 857 HB3 MET 1 2HB MET 1 11.897 10.848 17.454 858 HG2 MET 1 1HG MET 1 13.411 9.919 18.937 859 HG3 MET 1 2HG MET 1 12.853 8.537 17.995 860 HE1 MET 1 3HE MET 1 16.164 7.618 19.084 861 HE2 MET 1 1HE MET 1 16.611 9.302 19.360 862 HE3 MET 1 2HE MET 1 15.027 8.716 19.867 863 H ASP 2 H ASP 2 11.959 7.570 14.366 864 HA ASP 2 HA ASP 2 9.632 6.635 15.781 865 HB2 ASP 2 1HB ASP 2 11.296 5.425 13.569 866 HB3 ASP 2 2HB ASP 2 9.871 4.646 14.249 867 H ASN 3 H ASN 3 9.584 5.315 17.479 868 HA ASN 3 HA ASN 3 12.098 4.213 18.462 869 HB2 ASN 3 1HB ASN 3 9.367 4.351 19.761 870 HB3 ASN 3 2HB ASN 3 10.839 3.776 20.541 871 HD21 ASN 3 1HD2 ASN 3 8.860 6.387 20.076 872 HD22 ASN 3 2HD2 ASN 3 9.944 7.645 20.555 873 H GLN 4 H GLN 4 8.799 3.116 17.720 874 HA GLN 4 HA GLN 4 9.754 0.342 17.765 875 HB2 GLN 4 1HB GLN 4 7.018 1.576 17.955 876 HB3 GLN 4 2HB GLN 4 7.225 -0.129 17.574 877 HG2 GLN 4 1HG GLN 4 6.964 -0.231 19.835 878 HG3 GLN 4 2HG GLN 4 8.719 -0.114 19.720 879 HE21 GLN 4 1HE2 GLN 4 5.901 2.042 19.837 880 HE22 GLN 4 2HE2 GLN 4 6.593 3.167 20.951 881 H GLY 5 H GLY 5 7.727 2.498 15.773 882 HA2 GLY 5 1HA GLY 5 8.856 2.105 13.339 883 HA3 GLY 5 2HA GLY 5 7.835 0.688 13.528 884 H VAL 6 H VAL 6 7.212 2.135 11.441 885 HA VAL 6 HA VAL 6 5.438 4.307 11.926 886 HB VAL 6 HB VAL 6 4.798 4.087 9.575 887 HG11 VAL 6 1HG1 VAL 6 6.840 5.285 10.093 888 HG12 VAL 6 2HG1 VAL 6 7.760 3.780 10.056 889 HG13 VAL 6 3HG1 VAL 6 7.026 4.404 8.577 890 HG21 VAL 6 3HG2 VAL 6 5.552 2.323 8.175 891 HG22 VAL 6 1HG2 VAL 6 6.591 1.672 9.443 892 HG23 VAL 6 2HG2 VAL 6 4.837 1.567 9.599 893 H ILE 7 H ILE 7 3.217 4.375 11.977 894 HA ILE 7 HA ILE 7 1.891 2.036 12.945 895 HB ILE 7 HB ILE 7 0.617 4.643 12.115 896 HG12 ILE 7 1HG1 ILE 7 2.526 4.857 13.776 897 HG13 ILE 7 2HG1 ILE 7 0.969 5.470 14.318 898 HG21 ILE 7 1HG2 ILE 7 -0.341 2.185 13.355 899 HG22 ILE 7 2HG2 ILE 7 -0.754 3.636 14.267 900 HG23 ILE 7 3HG2 ILE 7 -1.239 3.488 12.578 901 HD11 ILE 7 3HD1 ILE 7 1.012 2.814 15.135 902 HD12 ILE 7 1HD1 ILE 7 2.635 3.424 15.458 903 HD13 ILE 7 2HD1 ILE 7 1.232 4.247 16.140 904 H PTR 8 H PTR 8 0.138 0.932 12.012 905 HA PTR 8 HA PTR 8 0.023 1.132 9.075 906 HB2 PTR 8 2HB PTR 8 -0.090 -1.207 10.944 907 HB3 PTR 8 3HB PTR 8 -0.887 -1.311 9.378 908 HD1 PTR 8 1HD PTR 8 0.336 -2.331 7.721 909 HD2 PTR 8 2HD PTR 8 2.404 -0.120 10.710 910 HE1 PTR 8 1HE PTR 8 2.478 -2.920 6.666 911 HE2 PTR 8 2HE PTR 8 4.553 -0.702 9.663 912 H SER 9 H SER 9 -1.733 2.277 8.557 913 HA SER 9 HA SER 9 -3.998 2.759 10.003 914 HB2 SER 9 1HB SER 9 -3.434 2.678 7.071 915 HB3 SER 9 2HB SER 9 -5.110 2.838 7.593 916 HG SER 9 HG SER 9 -3.392 4.491 8.935 917 H ASP 10 H ASP 10 -6.289 2.009 9.311 918 HA ASP 10 HA ASP 10 -6.360 -0.892 8.889 919 HB2 ASP 10 1HB ASP 10 -7.276 0.603 11.286 920 HB3 ASP 10 2HB ASP 10 -8.329 -0.682 10.704 921 H LEU 11 H LEU 11 -8.933 -1.465 8.963 922 HA LEU 11 HA LEU 11 -10.121 0.328 6.955 923 HB2 LEU 11 1HB LEU 11 -10.586 -2.607 7.465 924 HB3 LEU 11 2HB LEU 11 -11.450 -1.643 6.269 925 HG LEU 11 HG LEU 11 -8.515 -2.338 6.252 926 HD11 LEU 11 1HD1 LEU 11 -9.574 -4.226 5.477 927 HD12 LEU 11 2HD1 LEU 11 -9.349 -3.316 3.983 928 HD13 LEU 11 3HD1 LEU 11 -10.920 -3.319 4.785 929 HD21 LEU 11 3HD2 LEU 11 -8.843 -0.082 5.411 930 HD22 LEU 11 1HD2 LEU 11 -10.119 -0.651 4.333 931 HD23 LEU 11 2HD2 LEU 11 -8.455 -1.183 4.088 932 H ASN 12 H ASN 12 -12.694 -0.313 6.940 933 HA ASN 12 HA ASN 12 -13.652 0.801 9.421 934 HB2 ASN 12 1HB ASN 12 -15.594 1.303 8.291 935 HB3 ASN 12 2HB ASN 12 -14.469 1.218 6.939 936 HD21 ASN 12 1HD2 ASN 12 -14.334 -0.867 5.813 937 HD22 ASN 12 2HD2 ASN 12 -15.775 -1.806 5.651 938 H LEU 13 H LEU 13 -14.204 -2.199 7.591 939 HA LEU 13 HA LEU 13 -16.018 -3.502 9.117 940 HB2 LEU 13 1HB LEU 13 -13.644 -5.117 8.418 941 HB3 LEU 13 2HB LEU 13 -15.352 -5.420 8.107 942 HG LEU 13 HG LEU 13 -14.996 -3.412 6.398 943 HD11 LEU 13 1HD1 LEU 13 -12.831 -3.485 5.353 944 HD12 LEU 13 2HD1 LEU 13 -12.290 -4.736 6.472 945 HD13 LEU 13 3HD1 LEU 13 -12.632 -3.112 7.065 946 HD21 LEU 13 3HD2 LEU 13 -14.794 -5.044 4.662 947 HD22 LEU 13 1HD2 LEU 13 -15.776 -5.741 5.951 948 HD23 LEU 13 2HD2 LEU 13 -14.088 -6.218 5.773 949 HA PRO 14 HA PRO 14 -12.578 -4.945 12.215 950 HB2 PRO 14 1HB PRO 14 -10.254 -3.541 12.176 951 HB3 PRO 14 2HB PRO 14 -10.521 -4.985 11.192 952 HG2 PRO 14 1HG PRO 14 -10.706 -2.100 10.413 953 HG3 PRO 14 2HG PRO 14 -9.979 -3.453 9.528 954 HD2 PRO 14 1HD PRO 14 -12.437 -2.482 8.942 955 HD3 PRO 14 2HD PRO 14 -12.014 -4.194 8.738 956 HA PRO 15 HA PRO 15 -13.764 -1.802 15.081 957 HB2 PRO 15 1HB PRO 15 -12.572 -2.797 17.307 958 HB3 PRO 15 2HB PRO 15 -14.030 -3.503 16.602 959 HG2 PRO 15 1HG PRO 15 -11.180 -4.374 16.324 960 HG3 PRO 15 2HG PRO 15 -12.631 -5.360 16.582 961 HD2 PRO 15 1HD PRO 15 -11.478 -5.074 14.148 962 HD3 PRO 15 2HD PRO 15 -13.227 -5.289 14.356 Start of MODEL 8 1 H1 GLY 1 H GLY 1 16.236 -3.780 -24.511 2 HA2 GLY 1 1HA GLY 1 17.949 -5.415 -22.858 3 HA3 GLY 1 2HA GLY 1 17.066 -4.187 -21.964 4 H SER 2 H SER 2 16.773 -6.955 -21.549 5 HA SER 2 HA SER 2 14.347 -7.803 -22.875 6 HB2 SER 2 1HB SER 2 16.251 -9.345 -22.145 7 HB3 SER 2 2HB SER 2 15.646 -9.139 -20.501 8 HG SER 2 HG SER 2 14.295 -10.661 -20.987 9 H SER 3 H SER 3 12.673 -8.861 -21.245 10 HA SER 3 HA SER 3 11.904 -6.708 -19.393 11 HB2 SER 3 1HB SER 3 10.129 -8.801 -20.669 12 HB3 SER 3 2HB SER 3 9.601 -7.425 -19.702 13 HG SER 3 HG SER 3 9.754 -7.405 -22.227 14 H GLY 4 H GLY 4 11.547 -7.123 -17.279 15 HA2 GLY 4 1HA GLY 4 11.041 -9.753 -16.268 16 HA3 GLY 4 2HA GLY 4 12.699 -9.247 -15.976 17 H SER 5 H SER 5 9.400 -7.926 -15.672 18 HA SER 5 HA SER 5 10.216 -6.796 -13.074 19 HB2 SER 5 1HB SER 5 8.583 -5.020 -13.420 20 HB3 SER 5 2HB SER 5 9.689 -5.083 -14.793 21 HG SER 5 HG SER 5 6.989 -5.825 -14.639 22 H SER 6 H SER 6 8.405 -6.541 -11.508 23 HA SER 6 HA SER 6 6.540 -8.814 -11.715 24 HB2 SER 6 1HB SER 6 8.029 -7.699 -9.342 25 HB3 SER 6 2HB SER 6 6.604 -8.722 -9.148 26 HG SER 6 HG SER 6 8.884 -9.676 -9.270 27 H GLY 7 H GLY 7 5.891 -6.292 -12.757 28 HA2 GLY 7 1HA GLY 7 4.174 -4.770 -12.741 29 HA3 GLY 7 2HA GLY 7 3.381 -5.839 -11.594 30 H TRP 8 H TRP 8 3.181 -5.201 -9.529 31 HA TRP 8 HA TRP 8 4.613 -2.750 -8.738 32 HB2 TRP 8 1HB TRP 8 2.509 -2.731 -7.064 33 HB3 TRP 8 2HB TRP 8 2.476 -1.970 -8.653 34 HD1 TRP 8 HD TRP 8 0.306 -2.500 -9.878 35 HE1 TRP 8 1HE TRP 8 -1.299 -4.507 -10.029 36 HE3 TRP 8 3HE TRP 8 2.714 -5.703 -6.704 37 HZ2 TRP 8 2HZ TRP 8 -1.515 -7.104 -8.945 38 HZ3 TRP 8 3HZ TRP 8 1.741 -7.931 -6.315 39 HH2 TRP 8 HH TRP 8 -0.329 -8.614 -7.413 40 H TYR 9 H TYR 9 5.407 -5.587 -8.399 41 HA TYR 9 HA TYR 9 5.275 -5.874 -5.485 42 HB2 TYR 9 1HB TYR 9 4.785 -7.773 -7.230 43 HB3 TYR 9 2HB TYR 9 6.539 -7.908 -7.286 44 HD1 TYR 9 1HD TYR 9 3.694 -7.885 -4.876 45 HD2 TYR 9 2HD TYR 9 7.643 -9.227 -5.720 46 HE1 TYR 9 1HE TYR 9 3.645 -9.285 -2.854 47 HE2 TYR 9 2HE TYR 9 7.604 -10.632 -3.702 48 HH TYR 9 HH TYR 9 4.954 -10.475 -1.406 49 H HIS 10 H HIS 10 6.910 -5.170 -4.300 50 HA HIS 10 HA HIS 10 9.514 -4.733 -5.579 51 HB2 HIS 10 1HB HIS 10 8.295 -3.629 -3.047 52 HB3 HIS 10 2HB HIS 10 9.977 -3.370 -3.497 53 HD1 HIS 10 1HD HIS 10 10.463 -1.607 -5.253 54 HD2 HIS 10 2HD HIS 10 6.402 -2.308 -4.723 55 HE1 HIS 10 1HE HIS 10 9.292 0.222 -6.523 56 HE2 HIS 10 2HE HIS 10 6.838 -0.173 -6.116 57 H GLY 11 H GLY 11 8.051 -6.168 -2.679 58 HA2 GLY 11 1HA GLY 11 8.738 -8.200 -1.703 59 HA3 GLY 11 2HA GLY 11 10.257 -8.082 -2.581 60 H HIS 12 H HIS 12 11.971 -7.688 -1.366 61 HA HIS 12 HA HIS 12 11.827 -7.123 1.380 62 HB2 HIS 12 1HB HIS 12 14.024 -7.191 -0.644 63 HB3 HIS 12 2HB HIS 12 14.354 -6.486 0.936 64 HD1 HIS 12 1HD HIS 12 13.618 -9.737 -0.750 65 HD2 HIS 12 2HD HIS 12 14.444 -8.308 3.062 66 HE1 HIS 12 1HE HIS 12 14.090 -11.776 0.644 67 HE2 HIS 12 2HE HIS 12 14.503 -10.892 2.966 68 H MET 13 H MET 13 10.834 -5.284 2.013 69 HA MET 13 HA MET 13 12.210 -2.794 1.557 70 HB2 MET 13 1HB MET 13 10.531 -3.154 -0.375 71 HB3 MET 13 2HB MET 13 9.292 -2.836 0.833 72 HG2 MET 13 1HG MET 13 9.571 -0.741 0.008 73 HG3 MET 13 2HG MET 13 10.771 -0.710 1.298 74 HE1 MET 13 3HE MET 13 10.351 0.439 -2.309 75 HE2 MET 13 1HE MET 13 11.438 -0.625 -3.203 76 HE3 MET 13 2HE MET 13 10.032 -1.295 -2.374 77 H SER 14 H SER 14 12.172 -1.652 3.380 78 HA SER 14 HA SER 14 10.470 -2.517 5.555 79 HB2 SER 14 1HB SER 14 11.869 -1.262 6.972 80 HB3 SER 14 2HB SER 14 12.961 -1.856 5.721 81 HG SER 14 HG SER 14 13.427 0.249 5.788 82 H GLY 15 H GLY 15 9.012 -1.201 6.694 83 HA2 GLY 15 1HA GLY 15 7.198 0.269 5.291 84 HA3 GLY 15 2HA GLY 15 7.494 0.509 7.007 85 H GLY 16 H GLY 16 9.717 1.780 7.327 86 HA2 GLY 16 1HA GLY 16 9.305 4.405 6.715 87 HA3 GLY 16 2HA GLY 16 10.901 3.731 7.007 88 H GLN 17 H GLN 17 11.159 2.089 4.772 89 HA GLN 17 HA GLN 17 12.129 3.871 2.860 90 HB2 GLN 17 1HB GLN 17 12.532 1.284 3.268 91 HB3 GLN 17 2HB GLN 17 11.306 1.130 2.017 92 HG2 GLN 17 1HG GLN 17 13.166 1.128 0.721 93 HG3 GLN 17 2HG GLN 17 12.853 2.862 0.772 94 HE21 GLN 17 1HE2 GLN 17 15.302 2.261 0.125 95 HE22 GLN 17 2HE2 GLN 17 16.409 2.484 1.431 96 H ALA 18 H ALA 18 9.365 1.653 2.425 97 HA ALA 18 HA ALA 18 8.331 2.456 0.089 98 HB1 ALA 18 1HB ALA 18 7.271 1.237 2.445 99 HB2 ALA 18 2HB ALA 18 6.077 2.352 1.778 100 HB3 ALA 18 3HB ALA 18 6.743 1.066 0.771 101 H GLU 19 H GLU 19 7.607 4.099 3.171 102 HA GLU 19 HA GLU 19 5.967 6.103 2.271 103 HB2 GLU 19 1HB GLU 19 7.906 5.868 4.509 104 HB3 GLU 19 2HB GLU 19 7.327 7.482 4.123 105 HG2 GLU 19 1HG GLU 19 4.985 6.513 4.272 106 HG3 GLU 19 2HG GLU 19 5.738 5.098 5.006 107 H THR 20 H THR 20 9.520 6.136 2.355 108 HA THR 20 HA THR 20 9.885 8.718 1.334 109 HB THR 20 HB THR 20 11.702 6.325 0.979 110 HG1 THR 20 1HG THR 20 11.551 8.310 3.020 111 HG21 THR 20 3HG2 THR 20 13.451 8.201 0.954 112 HG22 THR 20 1HG2 THR 20 12.100 9.283 0.615 113 HG23 THR 20 2HG2 THR 20 12.483 7.972 -0.502 114 H LEU 21 H LEU 21 10.177 5.621 -0.421 115 HA LEU 21 HA LEU 21 10.485 6.612 -2.969 116 HB2 LEU 21 1HB LEU 21 8.915 4.162 -2.182 117 HB3 LEU 21 2HB LEU 21 9.594 4.492 -3.775 118 HG LEU 21 HG LEU 21 11.852 4.585 -2.386 119 HD11 LEU 21 1HD1 LEU 21 11.582 4.014 -0.254 120 HD12 LEU 21 2HD1 LEU 21 11.244 2.381 -0.824 121 HD13 LEU 21 3HD1 LEU 21 9.917 3.501 -0.524 122 HD21 LEU 21 3HD2 LEU 21 11.965 2.038 -2.784 123 HD22 LEU 21 1HD2 LEU 21 11.726 3.102 -4.170 124 HD23 LEU 21 2HD2 LEU 21 10.356 2.232 -3.481 125 H LEU 22 H LEU 22 7.438 5.876 -1.295 126 HA LEU 22 HA LEU 22 5.716 6.577 -3.397 127 HB2 LEU 22 1HB LEU 22 5.409 6.412 -0.425 128 HB3 LEU 22 2HB LEU 22 4.095 7.030 -1.424 129 HG LEU 22 HG LEU 22 5.329 4.310 -1.813 130 HD11 LEU 22 1HD1 LEU 22 4.346 4.512 0.440 131 HD12 LEU 22 2HD1 LEU 22 3.463 3.389 -0.594 132 HD13 LEU 22 3HD1 LEU 22 2.819 5.004 -0.295 133 HD21 LEU 22 3HD2 LEU 22 2.764 5.569 -2.778 134 HD22 LEU 22 1HD2 LEU 22 3.224 3.884 -3.020 135 HD23 LEU 22 2HD2 LEU 22 4.176 5.172 -3.757 136 H GLN 23 H GLN 23 6.316 8.480 -0.437 137 HA GLN 23 HA GLN 23 5.135 10.827 -1.171 138 HB2 GLN 23 1HB GLN 23 7.580 10.297 0.497 139 HB3 GLN 23 2HB GLN 23 6.978 11.932 0.258 140 HG2 GLN 23 1HG GLN 23 4.862 11.341 1.258 141 HG3 GLN 23 2HG GLN 23 5.374 9.660 1.410 142 HE21 GLN 23 1HE2 GLN 23 4.485 11.201 3.555 143 HE22 GLN 23 2HE2 GLN 23 5.800 11.435 4.650 144 H ALA 24 H ALA 24 8.562 10.008 -1.715 145 HA ALA 24 HA ALA 24 9.447 12.232 -3.006 146 HB1 ALA 24 1HB ALA 24 11.091 10.658 -2.720 147 HB2 ALA 24 2HB ALA 24 10.089 9.340 -3.329 148 HB3 ALA 24 3HB ALA 24 10.791 10.506 -4.452 149 H LYS 25 H LYS 25 7.517 9.620 -4.405 150 HA LYS 25 HA LYS 25 7.595 10.481 -7.077 151 HB2 LYS 25 1HB LYS 25 6.806 8.247 -6.322 152 HB3 LYS 25 2HB LYS 25 5.357 9.007 -5.678 153 HG2 LYS 25 1HG LYS 25 4.627 8.223 -7.712 154 HG3 LYS 25 2HG LYS 25 5.053 9.893 -8.097 155 HD2 LYS 25 1HD LYS 25 7.347 8.963 -8.749 156 HD3 LYS 25 2HD LYS 25 6.574 7.376 -8.717 157 HE2 LYS 25 1HE LYS 25 4.840 8.362 -10.292 158 HE3 LYS 25 2HE LYS 25 5.938 9.728 -10.481 159 HZ1 LYS 25 3HZ LYS 25 6.947 6.999 -10.896 160 HZ2 LYS 25 1HZ LYS 25 7.482 8.454 -11.573 161 HZ3 LYS 25 2HZ LYS 25 6.049 7.742 -12.121 162 H GLY 26 H GLY 26 5.477 11.345 -4.390 163 HA2 GLY 26 1HA GLY 26 4.062 13.134 -4.114 164 HA3 GLY 26 2HA GLY 26 4.833 13.863 -5.516 165 H GLU 27 H GLU 27 3.501 10.751 -6.012 166 HA GLU 27 HA GLU 27 1.338 11.955 -7.584 167 HB2 GLU 27 1HB GLU 27 2.876 9.403 -7.759 168 HB3 GLU 27 2HB GLU 27 1.237 9.436 -8.394 169 HG2 GLU 27 1HG GLU 27 2.097 11.599 -9.608 170 HG3 GLU 27 2HG GLU 27 3.671 10.848 -9.347 171 HA PRO 28 HA PRO 28 -1.488 10.631 -4.410 172 HB2 PRO 28 1HB PRO 28 -3.744 11.427 -5.694 173 HB3 PRO 28 2HB PRO 28 -2.659 12.554 -4.872 174 HG2 PRO 28 1HG PRO 28 -2.851 11.893 -7.785 175 HG3 PRO 28 2HG PRO 28 -2.658 13.474 -7.007 176 HD2 PRO 28 1HD PRO 28 -0.584 12.134 -8.114 177 HD3 PRO 28 2HD PRO 28 -0.392 13.187 -6.699 178 H TRP 29 H TRP 29 -2.672 8.819 -4.054 179 HA TRP 29 HA TRP 29 -3.714 6.826 -4.411 180 HB2 TRP 29 1HB TRP 29 -4.026 7.525 -7.322 181 HB3 TRP 29 2HB TRP 29 -5.067 6.524 -6.315 182 HD1 TRP 29 HD TRP 29 -5.442 9.547 -8.006 183 HE1 TRP 29 1HE TRP 29 -6.929 11.251 -6.778 184 HE3 TRP 29 3HE TRP 29 -5.325 7.500 -3.323 185 HZ2 TRP 29 2HZ TRP 29 -7.920 11.673 -4.169 186 HZ3 TRP 29 3HZ TRP 29 -6.568 8.617 -1.517 187 HH2 TRP 29 HH TRP 29 -7.838 10.659 -1.933 188 H THR 30 H THR 30 -0.871 7.110 -4.670 189 HA THR 30 HA THR 30 -0.161 5.224 -6.791 190 HB THR 30 HB THR 30 1.624 6.788 -4.917 191 HG1 THR 30 1HG THR 30 0.467 8.015 -6.554 192 HG21 THR 30 3HG2 THR 30 3.346 5.577 -5.646 193 HG22 THR 30 1HG2 THR 30 2.878 5.837 -7.326 194 HG23 THR 30 2HG2 THR 30 2.195 4.488 -6.419 195 H PHE 31 H PHE 31 -0.772 3.226 -6.081 196 HA PHE 31 HA PHE 31 -0.093 2.360 -3.395 197 HB2 PHE 31 1HB PHE 31 -1.369 0.393 -3.865 198 HB3 PHE 31 2HB PHE 31 -2.265 1.759 -4.523 199 HD1 PHE 31 1HD PHE 31 -2.262 2.165 -6.970 200 HD2 PHE 31 2HD PHE 31 -0.575 -1.344 -5.252 201 HE1 PHE 31 1HE PHE 31 -2.332 1.061 -9.167 202 HE2 PHE 31 2HE PHE 31 -0.641 -2.454 -7.447 203 HZ PHE 31 HZ PHE 31 -1.520 -1.252 -9.409 204 H LEU 32 H LEU 32 0.925 0.151 -3.155 205 HA LEU 32 HA LEU 32 2.640 -0.844 -5.189 206 HB2 LEU 32 1HB LEU 32 4.700 -0.043 -4.614 207 HB3 LEU 32 2HB LEU 32 3.699 1.371 -4.289 208 HG LEU 32 HG LEU 32 3.659 0.427 -1.853 209 HD11 LEU 32 1HD1 LEU 32 6.064 -0.551 -1.494 210 HD12 LEU 32 2HD1 LEU 32 5.865 -1.091 -3.160 211 HD13 LEU 32 3HD1 LEU 32 4.717 -1.605 -1.924 212 HD21 LEU 32 3HD2 LEU 32 5.548 1.799 -1.306 213 HD22 LEU 32 1HD2 LEU 32 4.680 2.554 -2.642 214 HD23 LEU 32 2HD2 LEU 32 6.176 1.673 -2.950 215 H VAL 33 H VAL 33 3.155 -2.903 -4.746 216 HA VAL 33 HA VAL 33 2.408 -3.956 -2.128 217 HB VAL 33 HB VAL 33 3.207 -5.451 -4.629 218 HG11 VAL 33 1HG1 VAL 33 2.200 -7.388 -3.510 219 HG12 VAL 33 2HG1 VAL 33 3.571 -6.747 -2.602 220 HG13 VAL 33 3HG1 VAL 33 1.924 -6.405 -2.072 221 HG21 VAL 33 3HG2 VAL 33 0.654 -4.294 -3.720 222 HG22 VAL 33 1HG2 VAL 33 1.217 -4.668 -5.349 223 HG23 VAL 33 2HG2 VAL 33 0.575 -5.950 -4.322 224 H ARG 34 H ARG 34 3.778 -5.294 -0.890 225 HA ARG 34 HA ARG 34 6.493 -5.781 -1.588 226 HB2 ARG 34 1HB ARG 34 7.586 -4.324 0.010 227 HB3 ARG 34 2HB ARG 34 6.632 -3.360 -1.107 228 HG2 ARG 34 1HG ARG 34 4.835 -3.264 0.613 229 HG3 ARG 34 2HG ARG 34 5.935 -4.074 1.731 230 HD2 ARG 34 1HD ARG 34 7.491 -2.252 1.612 231 HD3 ARG 34 2HD ARG 34 6.558 -1.479 0.331 232 HE ARG 34 HE ARG 34 5.194 -0.588 1.929 233 HH11 ARG 34 2HH1 ARG 34 6.937 -3.266 3.310 234 HH12 ARG 34 1HH1 ARG 34 6.357 -2.984 4.918 235 HH21 ARG 34 2HH2 ARG 34 4.423 -0.205 4.042 236 HH22 ARG 34 1HH2 ARG 34 4.926 -1.243 5.333 237 H GLU 35 H GLU 35 7.148 -7.522 -0.497 238 HA GLU 35 HA GLU 35 5.604 -9.043 1.140 239 HB2 GLU 35 1HB GLU 35 8.041 -9.383 0.125 240 HB3 GLU 35 2HB GLU 35 8.515 -8.992 1.772 241 HG2 GLU 35 1HG GLU 35 6.405 -11.038 1.391 242 HG3 GLU 35 2HG GLU 35 8.064 -11.473 0.985 243 H SER 36 H SER 36 5.583 -9.485 3.412 244 HA SER 36 HA SER 36 5.805 -7.043 4.994 245 HB2 SER 36 1HB SER 36 3.721 -8.544 4.946 246 HB3 SER 36 2HB SER 36 4.654 -9.664 5.940 247 HG SER 36 HG SER 36 4.105 -8.465 7.562 248 H LEU 37 H LEU 37 6.911 -6.937 6.969 249 HA LEU 37 HA LEU 37 9.106 -8.874 7.200 250 HB2 LEU 37 1HB LEU 37 8.831 -6.067 8.260 251 HB3 LEU 37 2HB LEU 37 10.214 -7.119 8.554 252 HG LEU 37 HG LEU 37 9.341 -6.062 5.866 253 HD11 LEU 37 1HD1 LEU 37 11.913 -5.385 7.215 254 HD12 LEU 37 2HD1 LEU 37 10.442 -4.524 7.667 255 HD13 LEU 37 3HD1 LEU 37 11.008 -4.486 5.996 256 HD21 LEU 37 3HD2 LEU 37 11.501 -7.000 5.102 257 HD22 LEU 37 1HD2 LEU 37 10.355 -8.234 5.628 258 HD23 LEU 37 2HD2 LEU 37 11.691 -7.767 6.680 259 H SER 38 H SER 38 7.052 -6.888 9.339 260 HA SER 38 HA SER 38 7.574 -8.015 11.754 261 HB2 SER 38 1HB SER 38 4.998 -6.985 10.589 262 HB3 SER 38 2HB SER 38 5.058 -7.607 12.238 263 HG SER 38 HG SER 38 6.787 -6.069 12.592 264 H GLN 39 H GLN 39 4.895 -9.123 9.669 265 HA GLN 39 HA GLN 39 5.033 -11.729 11.017 266 HB2 GLN 39 1HB GLN 39 2.852 -10.699 11.145 267 HB3 GLN 39 2HB GLN 39 2.828 -10.437 9.406 268 HG2 GLN 39 1HG GLN 39 2.792 -12.856 9.047 269 HG3 GLN 39 2HG GLN 39 2.795 -13.109 10.791 270 HE21 GLN 39 1HE2 GLN 39 0.827 -14.269 10.498 271 HE22 GLN 39 2HE2 GLN 39 -0.670 -13.423 10.327 272 HA PRO 40 HA PRO 40 6.858 -13.414 7.352 273 HB2 PRO 40 1HB PRO 40 6.609 -16.031 8.032 274 HB3 PRO 40 2HB PRO 40 7.825 -14.965 8.744 275 HG2 PRO 40 1HG PRO 40 5.177 -15.821 9.847 276 HG3 PRO 40 2HG PRO 40 6.741 -15.689 10.670 277 HD2 PRO 40 1HD PRO 40 4.817 -13.797 10.886 278 HD3 PRO 40 2HD PRO 40 6.549 -13.408 10.941 279 H GLY 41 H GLY 41 6.110 -14.066 5.402 280 HA2 GLY 41 1HA GLY 41 4.715 -15.079 3.842 281 HA3 GLY 41 2HA GLY 41 3.695 -15.638 5.160 282 H ASP 42 H ASP 42 3.236 -13.102 6.368 283 HA ASP 42 HA ASP 42 1.003 -12.246 4.881 284 HB2 ASP 42 1HB ASP 42 1.481 -12.011 7.411 285 HB3 ASP 42 2HB ASP 42 2.347 -10.544 6.966 286 H PHE 43 H PHE 43 0.604 -10.162 3.930 287 HA PHE 43 HA PHE 43 3.034 -8.943 2.791 288 HB2 PHE 43 1HB PHE 43 0.308 -9.153 1.495 289 HB3 PHE 43 2HB PHE 43 1.754 -8.455 0.772 290 HD1 PHE 43 1HD PHE 43 0.595 -11.644 2.321 291 HD2 PHE 43 2HD PHE 43 2.997 -9.763 -0.646 292 HE1 PHE 43 1HE PHE 43 1.198 -13.851 1.416 293 HE2 PHE 43 2HE PHE 43 3.605 -11.967 -1.557 294 HZ PHE 43 HZ PHE 43 2.704 -14.014 -0.526 295 H VAL 44 H VAL 44 2.353 -6.677 1.794 296 HA VAL 44 HA VAL 44 0.540 -5.236 3.569 297 HB VAL 44 HB VAL 44 3.450 -4.481 3.262 298 HG11 VAL 44 1HG1 VAL 44 1.097 -3.025 4.418 299 HG12 VAL 44 2HG1 VAL 44 2.740 -2.702 4.976 300 HG13 VAL 44 3HG1 VAL 44 2.315 -2.443 3.283 301 HG21 VAL 44 3HG2 VAL 44 1.837 -5.636 5.506 302 HG22 VAL 44 1HG2 VAL 44 3.413 -6.135 4.890 303 HG23 VAL 44 2HG2 VAL 44 3.265 -4.653 5.837 304 H LEU 45 H LEU 45 -0.409 -3.490 2.629 305 HA LEU 45 HA LEU 45 0.442 -2.846 -0.117 306 HB2 LEU 45 1HB LEU 45 -1.682 -3.928 -0.173 307 HB3 LEU 45 2HB LEU 45 -2.302 -2.901 1.119 308 HG LEU 45 HG LEU 45 -2.003 -0.962 -0.521 309 HD11 LEU 45 1HD1 LEU 45 -2.150 -3.091 -2.621 310 HD12 LEU 45 2HD1 LEU 45 -0.596 -2.476 -2.060 311 HD13 LEU 45 3HD1 LEU 45 -1.766 -1.378 -2.792 312 HD21 LEU 45 3HD2 LEU 45 -4.037 -3.127 -1.042 313 HD22 LEU 45 1HD2 LEU 45 -4.153 -1.468 -1.628 314 HD23 LEU 45 2HD2 LEU 45 -4.180 -1.796 0.106 315 H SER 46 H SER 46 1.476 -0.962 -0.118 316 HA SER 46 HA SER 46 0.626 1.146 1.733 317 HB2 SER 46 1HB SER 46 3.119 0.957 0.022 318 HB3 SER 46 2HB SER 46 2.773 2.221 1.202 319 HG SER 46 HG SER 46 2.857 -0.521 1.894 320 H VAL 47 H VAL 47 -0.058 3.138 1.054 321 HA VAL 47 HA VAL 47 -0.161 3.690 -1.817 322 HB VAL 47 HB VAL 47 -2.591 3.737 -0.022 323 HG11 VAL 47 1HG1 VAL 47 -2.036 4.937 -2.687 324 HG12 VAL 47 2HG1 VAL 47 -3.640 4.269 -2.380 325 HG13 VAL 47 3HG1 VAL 47 -3.007 5.553 -1.350 326 HG21 VAL 47 3HG2 VAL 47 -1.815 1.517 -0.958 327 HG22 VAL 47 1HG2 VAL 47 -3.464 1.994 -1.360 328 HG23 VAL 47 2HG2 VAL 47 -2.180 2.166 -2.556 329 H LEU 48 H LEU 48 -0.309 5.881 -2.347 330 HA LEU 48 HA LEU 48 0.307 7.695 -0.121 331 HB2 LEU 48 1HB LEU 48 1.911 7.404 -2.055 332 HB3 LEU 48 2HB LEU 48 0.711 8.215 -3.057 333 HG LEU 48 HG LEU 48 0.907 10.203 -1.568 334 HD11 LEU 48 1HD1 LEU 48 1.701 9.325 0.463 335 HD12 LEU 48 2HD1 LEU 48 3.041 10.263 -0.194 336 HD13 LEU 48 3HD1 LEU 48 3.050 8.505 -0.324 337 HD21 LEU 48 3HD2 LEU 48 3.175 10.856 -2.402 338 HD22 LEU 48 1HD2 LEU 48 2.085 10.229 -3.639 339 HD23 LEU 48 2HD2 LEU 48 3.367 9.205 -2.991 340 H SER 49 H SER 49 -1.659 8.373 0.601 341 HA SER 49 HA SER 49 -3.906 8.934 -0.964 342 HB2 SER 49 1HB SER 49 -4.648 10.304 1.025 343 HB3 SER 49 2HB SER 49 -4.175 8.648 1.401 344 HG SER 49 HG SER 49 -1.980 9.906 1.667 345 H ASP 50 H ASP 50 -4.824 10.902 -1.657 346 HA ASP 50 HA ASP 50 -2.921 12.757 -2.724 347 HB2 ASP 50 1HB ASP 50 -4.735 12.409 -4.146 348 HB3 ASP 50 2HB ASP 50 -5.906 12.488 -2.833 349 H GLN 51 H GLN 51 -4.071 12.457 0.303 350 HA GLN 51 HA GLN 51 -4.522 15.281 0.831 351 HB2 GLN 51 1HB GLN 51 -4.545 12.873 2.656 352 HB3 GLN 51 2HB GLN 51 -4.905 14.515 3.171 353 HG2 GLN 51 1HG GLN 51 -6.942 14.539 2.159 354 HG3 GLN 51 2HG GLN 51 -6.452 13.409 0.899 355 HE21 GLN 51 1HE2 GLN 51 -6.771 11.262 1.185 356 HE22 GLN 51 2HE2 GLN 51 -7.557 10.577 2.562 357 HA PRO 52 HA PRO 52 -0.140 15.768 1.601 358 HB2 PRO 52 1HB PRO 52 -0.265 18.443 2.044 359 HB3 PRO 52 2HB PRO 52 -0.297 17.736 0.425 360 HG2 PRO 52 1HG PRO 52 -2.569 18.714 2.110 361 HG3 PRO 52 2HG PRO 52 -2.279 18.950 0.376 362 HD2 PRO 52 1HD PRO 52 -4.008 17.095 1.325 363 HD3 PRO 52 2HD PRO 52 -3.080 16.859 -0.170 364 H LYS 53 H LYS 53 1.112 15.957 3.422 365 HA LYS 53 HA LYS 53 0.058 15.420 5.909 366 HB2 LYS 53 1HB LYS 53 2.673 16.572 5.009 367 HB3 LYS 53 2HB LYS 53 2.318 16.465 6.728 368 HG2 LYS 53 1HG LYS 53 1.911 14.032 6.434 369 HG3 LYS 53 2HG LYS 53 2.443 14.193 4.758 370 HD2 LYS 53 1HD LYS 53 4.421 13.585 5.721 371 HD3 LYS 53 2HD LYS 53 4.533 15.335 5.920 372 HE2 LYS 53 1HE LYS 53 3.340 14.880 8.187 373 HE3 LYS 53 2HE LYS 53 3.907 13.228 7.949 374 HZ1 LYS 53 3HZ LYS 53 5.335 15.174 9.122 375 HZ2 LYS 53 1HZ LYS 53 5.919 15.258 7.536 376 HZ3 LYS 53 2HZ LYS 53 6.009 13.802 8.395 377 H ALA 54 H ALA 54 1.311 18.582 4.826 378 HA ALA 54 HA ALA 54 -0.325 19.847 6.923 379 HB1 ALA 54 1HB ALA 54 1.477 21.025 7.445 380 HB2 ALA 54 2HB ALA 54 2.388 20.205 6.176 381 HB3 ALA 54 3HB ALA 54 1.520 21.697 5.814 382 H GLY 55 H GLY 55 0.948 20.655 3.680 383 HA2 GLY 55 1HA GLY 55 -1.684 21.277 2.701 384 HA3 GLY 55 2HA GLY 55 -0.713 22.710 3.006 385 HA PRO 56 HA PRO 56 0.174 21.637 -1.339 386 HB2 PRO 56 1HB PRO 56 0.640 24.202 -2.091 387 HB3 PRO 56 2HB PRO 56 -0.982 23.510 -1.996 388 HG2 PRO 56 1HG PRO 56 0.453 25.248 -0.028 389 HG3 PRO 56 2HG PRO 56 -1.234 25.328 -0.569 390 HD2 PRO 56 1HD PRO 56 -0.512 24.201 1.785 391 HD3 PRO 56 2HD PRO 56 -1.897 23.625 0.836 392 H GLY 57 H GLY 57 2.120 20.595 -0.495 393 HA2 GLY 57 1HA GLY 57 4.471 21.298 -1.535 394 HA3 GLY 57 2HA GLY 57 4.451 22.291 -0.085 395 H SER 58 H SER 58 2.955 20.222 1.418 396 HA SER 58 HA SER 58 5.235 18.790 2.393 397 HB2 SER 58 1HB SER 58 3.919 18.218 4.201 398 HB3 SER 58 2HB SER 58 3.068 19.660 3.645 399 HG SER 58 HG SER 58 1.942 17.859 2.278 400 HA PRO 59 HA PRO 59 4.948 15.028 0.151 401 HB2 PRO 59 1HB PRO 59 5.715 13.225 2.030 402 HB3 PRO 59 2HB PRO 59 6.840 14.355 1.266 403 HG2 PRO 59 1HG PRO 59 5.491 14.536 3.932 404 HG3 PRO 59 2HG PRO 59 7.172 14.901 3.502 405 HD2 PRO 59 1HD PRO 59 5.298 16.829 3.817 406 HD3 PRO 59 2HD PRO 59 6.639 16.980 2.663 407 H LEU 60 H LEU 60 3.022 14.246 -0.443 408 HA LEU 60 HA LEU 60 0.697 13.999 0.854 409 HB2 LEU 60 1HB LEU 60 1.929 12.113 -1.132 410 HB3 LEU 60 2HB LEU 60 0.283 11.895 -0.540 411 HG LEU 60 HG LEU 60 1.306 14.301 -2.046 412 HD11 LEU 60 1HD1 LEU 60 1.133 12.806 -3.740 413 HD12 LEU 60 2HD1 LEU 60 -0.565 13.268 -3.634 414 HD13 LEU 60 3HD1 LEU 60 -0.008 11.779 -2.870 415 HD21 LEU 60 3HD2 LEU 60 -1.086 14.910 -2.156 416 HD22 LEU 60 1HD2 LEU 60 -0.446 14.928 -0.512 417 HD23 LEU 60 2HD2 LEU 60 -1.448 13.580 -1.053 418 H ARG 61 H ARG 61 -0.397 12.512 2.143 419 HA ARG 61 HA ARG 61 1.217 11.146 4.062 420 HB2 ARG 61 1HB ARG 61 -1.176 12.268 4.257 421 HB3 ARG 61 2HB ARG 61 -1.717 10.643 3.857 422 HG2 ARG 61 1HG ARG 61 -1.707 10.522 6.132 423 HG3 ARG 61 2HG ARG 61 -0.068 9.967 5.785 424 HD2 ARG 61 1HD ARG 61 0.614 12.421 6.029 425 HD3 ARG 61 2HD ARG 61 -0.972 12.659 6.761 426 HE ARG 61 HE ARG 61 1.299 11.296 7.919 427 HH11 ARG 61 2HH1 ARG 61 -2.141 11.821 8.027 428 HH12 ARG 61 1HH1 ARG 61 -2.293 11.343 9.685 429 HH21 ARG 61 2HH2 ARG 61 1.112 10.665 10.102 430 HH22 ARG 61 1HH2 ARG 61 -0.443 10.688 10.865 431 H VAL 62 H VAL 62 1.233 8.908 4.539 432 HA VAL 62 HA VAL 62 0.603 7.199 2.220 433 HB VAL 62 HB VAL 62 2.727 6.681 4.301 434 HG11 VAL 62 1HG1 VAL 62 3.189 5.356 1.837 435 HG12 VAL 62 2HG1 VAL 62 2.831 4.648 3.414 436 HG13 VAL 62 3HG1 VAL 62 1.517 5.053 2.308 437 HG21 VAL 62 3HG2 VAL 62 3.809 8.360 3.258 438 HG22 VAL 62 1HG2 VAL 62 4.097 7.143 2.015 439 HG23 VAL 62 2HG2 VAL 62 2.768 8.290 1.837 440 H THR 63 H THR 63 -0.644 5.443 2.516 441 HA THR 63 HA THR 63 -1.605 4.923 5.247 442 HB THR 63 HB THR 63 -2.903 4.335 2.581 443 HG1 THR 63 1HG THR 63 -3.663 6.276 2.922 444 HG21 THR 63 3HG2 THR 63 -3.402 2.546 4.161 445 HG22 THR 63 1HG2 THR 63 -4.827 3.548 3.894 446 HG23 THR 63 2HG2 THR 63 -3.884 3.732 5.374 447 H HIS 64 H HIS 64 -0.468 3.312 6.135 448 HA HIS 64 HA HIS 64 0.397 1.058 4.494 449 HB2 HIS 64 1HB HIS 64 0.962 1.616 7.412 450 HB3 HIS 64 2HB HIS 64 1.751 0.408 6.402 451 HD1 HIS 64 1HD HIS 64 3.388 1.323 4.545 452 HD2 HIS 64 2HD HIS 64 2.007 4.161 7.247 453 HE1 HIS 64 1HE HIS 64 4.905 3.310 4.267 454 HE2 HIS 64 2HE HIS 64 4.102 4.981 5.972 455 H ILE 65 H ILE 65 -0.930 -0.606 4.264 456 HA ILE 65 HA ILE 65 -2.569 -1.423 6.574 457 HB ILE 65 HB ILE 65 -3.387 -1.553 3.669 458 HG12 ILE 65 1HG1 ILE 65 -4.838 0.009 5.769 459 HG13 ILE 65 2HG1 ILE 65 -3.389 0.698 5.043 460 HG21 ILE 65 1HG2 ILE 65 -5.128 -2.156 6.035 461 HG22 ILE 65 2HG2 ILE 65 -5.384 -2.564 4.339 462 HG23 ILE 65 3HG2 ILE 65 -4.144 -3.403 5.270 463 HD11 ILE 65 3HD1 ILE 65 -4.389 0.546 2.845 464 HD12 ILE 65 1HD1 ILE 65 -5.823 -0.219 3.530 465 HD13 ILE 65 2HD1 ILE 65 -5.433 1.452 3.939 466 H LYS 66 H LYS 66 -2.412 -3.499 7.162 467 HA LYS 66 HA LYS 66 -0.531 -5.200 5.804 468 HB2 LYS 66 1HB LYS 66 -2.229 -5.533 8.270 469 HB3 LYS 66 2HB LYS 66 -1.236 -6.838 7.636 470 HG2 LYS 66 1HG LYS 66 0.757 -5.684 8.071 471 HG3 LYS 66 2HG LYS 66 -0.084 -4.149 8.294 472 HD2 LYS 66 1HD LYS 66 -0.698 -6.456 10.094 473 HD3 LYS 66 2HD LYS 66 0.756 -5.494 10.368 474 HE2 LYS 66 1HE LYS 66 -0.805 -4.420 11.695 475 HE3 LYS 66 2HE LYS 66 -0.858 -3.471 10.210 476 HZ1 LYS 66 3HZ LYS 66 -2.702 -5.732 10.489 477 HZ2 LYS 66 1HZ LYS 66 -2.906 -4.271 9.661 478 HZ3 LYS 66 2HZ LYS 66 -3.039 -4.314 11.345 479 H VAL 67 H VAL 67 -0.928 -7.068 4.680 480 HA VAL 67 HA VAL 67 -3.744 -7.565 3.968 481 HB VAL 67 HB VAL 67 -1.286 -8.161 2.313 482 HG11 VAL 67 1HG1 VAL 67 -3.353 -8.246 0.591 483 HG12 VAL 67 2HG1 VAL 67 -2.721 -9.665 1.430 484 HG13 VAL 67 3HG1 VAL 67 -4.146 -8.834 2.052 485 HG21 VAL 67 3HG2 VAL 67 -3.126 -6.273 1.158 486 HG22 VAL 67 1HG2 VAL 67 -2.567 -5.711 2.732 487 HG23 VAL 67 2HG2 VAL 67 -1.399 -6.105 1.472 488 H MET 68 H MET 68 -4.464 -9.268 5.077 489 HA MET 68 HA MET 68 -2.746 -11.375 5.975 490 HB2 MET 68 1HB MET 68 -5.697 -10.852 6.105 491 HB3 MET 68 2HB MET 68 -5.061 -12.432 6.542 492 HG2 MET 68 1HG MET 68 -3.792 -11.530 8.323 493 HG3 MET 68 2HG MET 68 -4.077 -9.879 7.777 494 HE1 MET 68 3HE MET 68 -6.313 -8.435 8.613 495 HE2 MET 68 1HE MET 68 -6.712 -9.353 7.159 496 HE3 MET 68 2HE MET 68 -7.826 -9.340 8.525 497 H CYS 69 H CYS 69 -3.132 -13.668 5.484 498 HA CYS 69 HA CYS 69 -4.091 -14.096 2.735 499 HB2 CYS 69 1HB CYS 69 -1.649 -14.057 2.704 500 HB3 CYS 69 2HB CYS 69 -1.595 -15.261 3.985 501 HG CYS 69 HG CYS 69 -1.706 -17.334 2.470 502 H GLU 70 H GLU 70 -5.630 -15.581 2.623 503 HA GLU 70 HA GLU 70 -5.874 -17.515 4.828 504 HB2 GLU 70 1HB GLU 70 -7.860 -16.096 3.119 505 HB3 GLU 70 2HB GLU 70 -8.265 -17.712 3.681 506 HG2 GLU 70 1HG GLU 70 -7.836 -16.955 6.002 507 HG3 GLU 70 2HG GLU 70 -7.595 -15.322 5.381 508 H GLY 71 H GLY 71 -4.530 -19.128 4.048 509 HA2 GLY 71 1HA GLY 71 -3.884 -20.921 2.763 510 HA3 GLY 71 2HA GLY 71 -5.605 -21.114 2.467 511 H GLY 72 H GLY 72 -2.962 -18.957 1.408 512 HA2 GLY 72 1HA GLY 72 -2.182 -18.712 -0.794 513 HA3 GLY 72 2HA GLY 72 -3.566 -19.633 -1.363 514 H ARG 73 H ARG 73 -5.570 -18.102 -0.018 515 HA ARG 73 HA ARG 73 -5.807 -15.952 -1.910 516 HB2 ARG 73 1HB ARG 73 -7.591 -16.821 0.370 517 HB3 ARG 73 2HB ARG 73 -7.997 -15.556 -0.783 518 HG2 ARG 73 1HG ARG 73 -8.397 -17.028 -2.473 519 HG3 ARG 73 2HG ARG 73 -7.255 -18.222 -1.851 520 HD2 ARG 73 1HD ARG 73 -8.773 -19.090 -0.351 521 HD3 ARG 73 2HD ARG 73 -9.717 -17.602 -0.287 522 HE ARG 73 HE ARG 73 -10.901 -18.295 -2.141 523 HH11 ARG 73 2HH1 ARG 73 -8.185 -20.403 -1.597 524 HH12 ARG 73 1HH1 ARG 73 -8.720 -21.599 -2.731 525 HH21 ARG 73 2HH2 ARG 73 -11.616 -19.861 -3.636 526 HH22 ARG 73 1HH2 ARG 73 -10.671 -21.290 -3.890 527 H TYR 74 H TYR 74 -6.716 -13.791 -1.003 528 HA TYR 74 HA TYR 74 -5.196 -12.968 1.373 529 HB2 TYR 74 1HB TYR 74 -5.258 -11.515 -1.279 530 HB3 TYR 74 2HB TYR 74 -4.570 -10.864 0.205 531 HD1 TYR 74 1HD TYR 74 -3.041 -13.005 1.335 532 HD2 TYR 74 2HD TYR 74 -3.556 -11.988 -2.764 533 HE1 TYR 74 1HE TYR 74 -0.887 -14.069 0.808 534 HE2 TYR 74 2HE TYR 74 -1.405 -13.050 -3.304 535 HH TYR 74 HH TYR 74 0.796 -13.556 -1.919 536 H THR 75 H THR 75 -6.041 -11.171 2.496 537 HA THR 75 HA THR 75 -8.521 -9.971 1.614 538 HB THR 75 HB THR 75 -9.153 -12.160 2.744 539 HG1 THR 75 1HG THR 75 -10.167 -9.892 4.114 540 HG21 THR 75 3HG2 THR 75 -7.389 -11.265 4.695 541 HG22 THR 75 1HG2 THR 75 -8.507 -12.620 4.834 542 HG23 THR 75 2HG2 THR 75 -8.984 -11.021 5.406 543 H VAL 76 H VAL 76 -9.322 -8.352 3.240 544 HA VAL 76 HA VAL 76 -7.127 -7.295 4.891 545 HB VAL 76 HB VAL 76 -7.874 -4.990 4.253 546 HG11 VAL 76 1HG1 VAL 76 -6.309 -4.906 2.633 547 HG12 VAL 76 2HG1 VAL 76 -6.052 -6.594 3.077 548 HG13 VAL 76 3HG1 VAL 76 -7.063 -6.190 1.689 549 HG21 VAL 76 3HG2 VAL 76 -9.634 -6.589 2.452 550 HG22 VAL 76 1HG2 VAL 76 -9.995 -5.132 3.377 551 HG23 VAL 76 2HG2 VAL 76 -9.033 -5.025 1.902 552 H GLY 77 H GLY 77 -8.132 -8.138 6.752 553 HA2 GLY 77 1HA GLY 77 -9.373 -7.803 8.671 554 HA3 GLY 77 2HA GLY 77 -10.088 -6.391 7.910 555 H GLY 78 H GLY 78 -11.546 -7.115 5.919 556 HA2 GLY 78 1HA GLY 78 -13.801 -8.356 7.000 557 HA3 GLY 78 2HA GLY 78 -13.522 -8.094 5.286 558 H LEU 79 H LEU 79 -14.905 -10.265 5.836 559 HA LEU 79 HA LEU 79 -13.176 -12.558 6.203 560 HB2 LEU 79 1HB LEU 79 -16.099 -12.098 5.938 561 HB3 LEU 79 2HB LEU 79 -15.474 -13.692 5.520 562 HG LEU 79 HG LEU 79 -14.390 -13.640 7.860 563 HD11 LEU 79 1HD1 LEU 79 -16.622 -11.752 8.494 564 HD12 LEU 79 2HD1 LEU 79 -15.025 -11.143 8.059 565 HD13 LEU 79 3HD1 LEU 79 -15.216 -12.190 9.465 566 HD21 LEU 79 3HD2 LEU 79 -15.977 -15.146 8.221 567 HD22 LEU 79 1HD2 LEU 79 -16.922 -14.469 6.894 568 HD23 LEU 79 2HD2 LEU 79 -17.144 -13.859 8.534 569 H GLU 80 H GLU 80 -14.206 -10.630 3.620 570 HA GLU 80 HA GLU 80 -14.517 -12.393 1.511 571 HB2 GLU 80 1HB GLU 80 -13.526 -9.586 1.735 572 HB3 GLU 80 2HB GLU 80 -13.335 -10.423 0.201 573 HG2 GLU 80 1HG GLU 80 -15.573 -10.476 -0.215 574 HG3 GLU 80 2HG GLU 80 -16.003 -10.482 1.493 575 H THR 81 H THR 81 -12.859 -12.529 -0.366 576 HA THR 81 HA THR 81 -10.099 -12.762 0.443 577 HB THR 81 HB THR 81 -9.887 -15.151 -0.123 578 HG1 THR 81 1HG THR 81 -11.523 -16.155 -0.998 579 HG21 THR 81 3HG2 THR 81 -10.867 -16.054 1.915 580 HG22 THR 81 1HG2 THR 81 -11.920 -14.648 2.054 581 HG23 THR 81 2HG2 THR 81 -10.174 -14.462 2.226 582 H PHE 82 H PHE 82 -8.668 -13.115 -1.319 583 HA PHE 82 HA PHE 82 -9.906 -12.950 -3.982 584 HB2 PHE 82 1HB PHE 82 -7.530 -11.320 -3.058 585 HB3 PHE 82 2HB PHE 82 -8.254 -11.285 -4.662 586 HD1 PHE 82 2HD PHE 82 -8.645 -10.296 -1.161 587 HD2 PHE 82 1HD PHE 82 -10.321 -10.127 -5.070 588 HE1 PHE 82 2HE PHE 82 -10.167 -8.506 -0.428 589 HE2 PHE 82 1HE PHE 82 -11.845 -8.337 -4.342 590 HZ PHE 82 HZ PHE 82 -11.770 -7.524 -2.019 591 H ASP 83 H ASP 83 -8.572 -13.691 -5.729 592 HA ASP 83 HA ASP 83 -7.260 -16.093 -5.245 593 HB2 ASP 83 1HB ASP 83 -8.198 -15.429 -7.438 594 HB3 ASP 83 2HB ASP 83 -6.892 -14.260 -7.625 595 H SER 84 H SER 84 -5.895 -12.867 -5.816 596 HA SER 84 HA SER 84 -3.613 -13.429 -4.198 597 HB2 SER 84 1HB SER 84 -1.936 -13.074 -6.055 598 HB3 SER 84 2HB SER 84 -2.791 -14.616 -6.113 599 HG SER 84 HG SER 84 -3.016 -12.383 -7.784 600 H LEU 85 H LEU 85 -1.865 -11.550 -4.825 601 HA LEU 85 HA LEU 85 -2.936 -9.176 -3.932 602 HB2 LEU 85 1HB LEU 85 -0.441 -9.947 -5.326 603 HB3 LEU 85 2HB LEU 85 -0.842 -8.230 -5.301 604 HG LEU 85 HG LEU 85 0.639 -8.643 -3.491 605 HD11 LEU 85 1HD1 LEU 85 -1.814 -8.676 -1.880 606 HD12 LEU 85 2HD1 LEU 85 -1.784 -7.475 -3.169 607 HD13 LEU 85 3HD1 LEU 85 -0.511 -7.489 -1.948 608 HD21 LEU 85 3HD2 LEU 85 0.789 -10.660 -2.579 609 HD22 LEU 85 1HD2 LEU 85 -0.697 -11.164 -3.385 610 HD23 LEU 85 2HD2 LEU 85 -0.771 -10.405 -1.795 611 H THR 86 H THR 86 -2.686 -10.376 -7.214 612 HA THR 86 HA THR 86 -3.279 -7.963 -8.556 613 HB THR 86 HB THR 86 -3.910 -10.764 -9.502 614 HG1 THR 86 1HG THR 86 -1.572 -9.339 -10.186 615 HG21 THR 86 3HG2 THR 86 -4.575 -9.812 -11.403 616 HG22 THR 86 1HG2 THR 86 -3.046 -8.946 -11.537 617 HG23 THR 86 2HG2 THR 86 -4.390 -8.229 -10.648 618 H ASP 87 H ASP 87 -5.385 -10.747 -7.810 619 HA ASP 87 HA ASP 87 -7.771 -9.538 -8.671 620 HB2 ASP 87 1HB ASP 87 -7.365 -12.005 -8.214 621 HB3 ASP 87 2HB ASP 87 -7.568 -11.630 -6.504 622 H LEU 88 H LEU 88 -6.171 -9.605 -5.528 623 HA LEU 88 HA LEU 88 -8.264 -8.387 -4.067 624 HB2 LEU 88 1HB LEU 88 -6.518 -9.603 -2.942 625 HB3 LEU 88 2HB LEU 88 -5.294 -8.500 -3.570 626 HG LEU 88 HG LEU 88 -7.446 -7.376 -1.850 627 HD11 LEU 88 1HD1 LEU 88 -5.161 -8.227 -0.296 628 HD12 LEU 88 2HD1 LEU 88 -6.026 -9.598 -0.990 629 HD13 LEU 88 3HD1 LEU 88 -6.884 -8.436 0.021 630 HD21 LEU 88 3HD2 LEU 88 -5.121 -6.290 -1.051 631 HD22 LEU 88 1HD2 LEU 88 -6.077 -5.667 -2.397 632 HD23 LEU 88 2HD2 LEU 88 -4.700 -6.724 -2.710 633 H VAL 89 H VAL 89 -5.180 -6.998 -5.212 634 HA VAL 89 HA VAL 89 -5.751 -4.343 -4.585 635 HB VAL 89 HB VAL 89 -4.033 -5.373 -6.848 636 HG11 VAL 89 1HG1 VAL 89 -3.052 -3.264 -6.999 637 HG12 VAL 89 2HG1 VAL 89 -4.774 -2.910 -6.838 638 HG13 VAL 89 3HG1 VAL 89 -3.704 -2.744 -5.445 639 HG21 VAL 89 3HG2 VAL 89 -2.816 -4.387 -4.352 640 HG22 VAL 89 1HG2 VAL 89 -3.683 -5.918 -4.229 641 HG23 VAL 89 2HG2 VAL 89 -2.358 -5.745 -5.380 642 H GLU 90 H GLU 90 -5.980 -5.905 -7.788 643 HA GLU 90 HA GLU 90 -7.032 -3.876 -9.264 644 HB2 GLU 90 1HB GLU 90 -7.652 -6.823 -9.332 645 HB3 GLU 90 2HB GLU 90 -8.317 -5.704 -10.513 646 HG2 GLU 90 1HG GLU 90 -5.383 -5.685 -10.067 647 HG3 GLU 90 2HG GLU 90 -6.086 -7.036 -10.953 648 H HIS 91 H HIS 91 -8.970 -6.236 -7.422 649 HA HIS 91 HA HIS 91 -11.470 -5.120 -7.905 650 HB2 HIS 91 1HB HIS 91 -11.317 -7.299 -6.917 651 HB3 HIS 91 2HB HIS 91 -10.440 -6.669 -5.525 652 HD1 HIS 91 1HD HIS 91 -13.821 -7.339 -6.774 653 HD2 HIS 91 2HD HIS 91 -12.082 -5.091 -3.743 654 HE1 HIS 91 1HE HIS 91 -15.696 -6.769 -5.199 655 HE2 HIS 91 2HE HIS 91 -14.636 -5.338 -3.418 656 H PHE 92 H PHE 92 -8.919 -4.046 -5.846 657 HA PHE 92 HA PHE 92 -10.672 -2.229 -4.381 658 HB2 PHE 92 1HB PHE 92 -7.901 -3.236 -4.039 659 HB3 PHE 92 2HB PHE 92 -8.220 -1.601 -3.468 660 HD1 PHE 92 2HD PHE 92 -10.851 -1.697 -2.356 661 HD2 PHE 92 1HD PHE 92 -7.791 -4.653 -2.238 662 HE1 PHE 92 2HE PHE 92 -11.816 -2.609 -0.284 663 HE2 PHE 92 1HE PHE 92 -8.751 -5.570 -0.167 664 HZ PHE 92 HZ PHE 92 -10.765 -4.547 0.813 665 H LYS 93 H LYS 93 -8.619 -2.266 -7.109 666 HA LYS 93 HA LYS 93 -7.910 0.506 -7.103 667 HB2 LYS 93 1HB LYS 93 -7.926 -1.495 -9.371 668 HB3 LYS 93 2HB LYS 93 -7.167 0.091 -9.415 669 HG2 LYS 93 1HG LYS 93 -5.914 -0.842 -7.285 670 HG3 LYS 93 2HG LYS 93 -6.309 -2.391 -8.033 671 HD2 LYS 93 1HD LYS 93 -5.010 -0.165 -9.580 672 HD3 LYS 93 2HD LYS 93 -4.064 -1.320 -8.638 673 HE2 LYS 93 1HE LYS 93 -4.819 -3.143 -9.949 674 HE3 LYS 93 2HE LYS 93 -6.073 -2.166 -10.713 675 HZ1 LYS 93 3HZ LYS 93 -3.323 -1.262 -11.048 676 HZ2 LYS 93 1HZ LYS 93 -4.611 -1.245 -12.145 677 HZ3 LYS 93 2HZ LYS 93 -3.756 -2.678 -11.868 678 H LYS 94 H LYS 94 -10.741 -1.207 -7.851 679 HA LYS 94 HA LYS 94 -11.762 0.996 -9.510 680 HB2 LYS 94 1HB LYS 94 -13.572 -0.575 -10.139 681 HB3 LYS 94 2HB LYS 94 -11.973 -1.165 -10.575 682 HG2 LYS 94 1HG LYS 94 -12.058 -2.458 -8.365 683 HG3 LYS 94 2HG LYS 94 -13.787 -2.105 -8.384 684 HD2 LYS 94 1HD LYS 94 -12.568 -3.226 -10.852 685 HD3 LYS 94 2HD LYS 94 -12.788 -4.309 -9.475 686 HE2 LYS 94 1HE LYS 94 -15.068 -4.205 -9.584 687 HE3 LYS 94 2HE LYS 94 -15.071 -2.578 -10.261 688 HZ1 LYS 94 3HZ LYS 94 -14.520 -3.415 -12.386 689 HZ2 LYS 94 1HZ LYS 94 -15.781 -4.386 -11.811 690 HZ3 LYS 94 2HZ LYS 94 -14.190 -4.961 -11.787 691 H THR 95 H THR 95 -12.364 -0.895 -6.608 692 HA THR 95 HA THR 95 -14.739 0.669 -5.972 693 HB THR 95 HB THR 95 -14.963 -0.802 -4.018 694 HG1 THR 95 1HG THR 95 -12.605 -2.071 -5.001 695 HG21 THR 95 3HG2 THR 95 -14.910 -1.710 -6.782 696 HG22 THR 95 1HG2 THR 95 -16.113 -1.993 -5.525 697 HG23 THR 95 2HG2 THR 95 -14.691 -3.031 -5.634 698 H GLY 96 H GLY 96 -11.825 -0.270 -4.127 699 HA2 GLY 96 1HA GLY 96 -10.381 1.566 -3.307 700 HA3 GLY 96 2HA GLY 96 -11.861 2.437 -2.939 701 H ILE 97 H ILE 97 -9.779 1.892 -1.088 702 HA ILE 97 HA ILE 97 -10.962 -0.146 0.665 703 HB ILE 97 HB ILE 97 -8.273 1.220 0.828 704 HG12 ILE 97 1HG1 ILE 97 -8.738 -1.709 0.362 705 HG13 ILE 97 2HG1 ILE 97 -8.807 -0.580 -0.986 706 HG21 ILE 97 1HG2 ILE 97 -7.769 -0.219 2.671 707 HG22 ILE 97 2HG2 ILE 97 -9.278 0.619 3.030 708 HG23 ILE 97 3HG2 ILE 97 -9.309 -1.062 2.499 709 HD11 ILE 97 3HD1 ILE 97 -6.475 -1.238 0.776 710 HD12 ILE 97 1HD1 ILE 97 -6.622 -1.416 -0.972 711 HD13 ILE 97 2HD1 ILE 97 -6.504 0.191 -0.255 712 H GLU 98 H GLU 98 -11.826 0.353 2.611 713 HA GLU 98 HA GLU 98 -11.962 3.210 3.302 714 HB2 GLU 98 1HB GLU 98 -14.139 2.276 2.834 715 HB3 GLU 98 2HB GLU 98 -13.847 0.935 3.935 716 HG2 GLU 98 1HG GLU 98 -13.907 2.389 5.830 717 HG3 GLU 98 2HG GLU 98 -13.974 3.814 4.794 718 H GLU 99 H GLU 99 -10.740 3.816 4.950 719 HA GLU 99 HA GLU 99 -9.731 1.850 6.832 720 HB2 GLU 99 1HB GLU 99 -9.169 4.795 6.473 721 HB3 GLU 99 2HB GLU 99 -8.428 3.807 7.724 722 HG2 GLU 99 1HG GLU 99 -8.220 2.914 4.896 723 HG3 GLU 99 2HG GLU 99 -7.220 4.260 5.439 724 H ALA 100 H ALA 100 -9.892 2.094 9.124 725 HA ALA 100 HA ALA 100 -12.470 2.530 10.077 726 HB1 ALA 100 1HB ALA 100 -9.816 2.100 11.313 727 HB2 ALA 100 2HB ALA 100 -11.081 2.768 12.346 728 HB3 ALA 100 3HB ALA 100 -11.329 1.221 11.535 729 H SER 101 H SER 101 -9.597 4.580 10.619 730 HA SER 101 HA SER 101 -10.542 6.637 12.034 731 HB2 SER 101 1HB SER 101 -8.710 6.607 9.664 732 HB3 SER 101 2HB SER 101 -9.168 8.152 10.380 733 HG SER 101 HG SER 101 -8.290 6.104 12.072 734 H GLY 102 H GLY 102 -11.161 6.180 8.571 735 HA2 GLY 102 1HA GLY 102 -13.556 6.774 8.003 736 HA3 GLY 102 2HA GLY 102 -13.183 8.327 8.736 737 H ALA 103 H ALA 103 -10.743 6.707 6.891 738 HA ALA 103 HA ALA 103 -11.053 8.742 4.787 739 HB1 ALA 103 1HB ALA 103 -8.684 7.426 6.014 740 HB2 ALA 103 2HB ALA 103 -8.586 7.939 4.328 741 HB3 ALA 103 3HB ALA 103 -8.946 9.118 5.589 742 H PHE 104 H PHE 104 -10.397 8.080 2.588 743 HA PHE 104 HA PHE 104 -10.931 5.234 2.062 744 HB2 PHE 104 1HB PHE 104 -12.301 7.638 0.986 745 HB3 PHE 104 2HB PHE 104 -11.971 6.339 -0.155 746 HD1 PHE 104 2HD PHE 104 -13.044 4.177 0.075 747 HD2 PHE 104 1HD PHE 104 -13.874 7.351 2.787 748 HE1 PHE 104 2HE PHE 104 -15.034 2.970 0.872 749 HE2 PHE 104 1HE PHE 104 -15.866 6.149 3.588 750 HZ PHE 104 HZ PHE 104 -16.449 3.956 2.630 751 H VAL 105 H VAL 105 -9.041 4.466 1.361 752 HA VAL 105 HA VAL 105 -7.181 6.081 -0.126 753 HB VAL 105 HB VAL 105 -7.154 3.168 0.655 754 HG11 VAL 105 1HG1 VAL 105 -4.702 3.347 -0.062 755 HG12 VAL 105 2HG1 VAL 105 -5.917 3.175 -1.332 756 HG13 VAL 105 3HG1 VAL 105 -5.212 4.756 -0.993 757 HG21 VAL 105 3HG2 VAL 105 -6.752 4.424 2.571 758 HG22 VAL 105 1HG2 VAL 105 -5.129 4.074 1.977 759 HG23 VAL 105 2HG2 VAL 105 -5.849 5.658 1.693 760 H TYR 106 H TYR 106 -6.685 5.977 -2.272 761 HA TYR 106 HA TYR 106 -8.367 4.223 -3.938 762 HB2 TYR 106 1HB TYR 106 -7.438 7.015 -4.638 763 HB3 TYR 106 2HB TYR 106 -8.473 5.981 -5.617 764 HD1 TYR 106 1HD TYR 106 -10.332 4.935 -3.565 765 HD2 TYR 106 2HD TYR 106 -8.783 8.856 -4.139 766 HE1 TYR 106 1HE TYR 106 -12.318 5.875 -2.460 767 HE2 TYR 106 2HE TYR 106 -10.765 9.807 -3.035 768 HH TYR 106 HH TYR 106 -12.628 9.361 -1.892 769 H LEU 107 H LEU 107 -7.423 3.250 -5.705 770 HA LEU 107 HA LEU 107 -4.511 3.611 -5.983 771 HB2 LEU 107 1HB LEU 107 -5.911 1.014 -6.516 772 HB3 LEU 107 2HB LEU 107 -4.193 1.307 -6.251 773 HG LEU 107 HG LEU 107 -5.089 2.041 -3.854 774 HD11 LEU 107 1HD1 LEU 107 -7.310 1.688 -3.762 775 HD12 LEU 107 2HD1 LEU 107 -6.826 0.020 -3.460 776 HD13 LEU 107 3HD1 LEU 107 -7.291 0.523 -5.086 777 HD21 LEU 107 3HD2 LEU 107 -5.015 -0.822 -3.846 778 HD22 LEU 107 1HD2 LEU 107 -3.799 0.327 -3.289 779 HD23 LEU 107 2HD2 LEU 107 -3.809 -0.198 -4.973 780 H ARG 108 H ARG 108 -4.556 4.935 -7.759 781 HA ARG 108 HA ARG 108 -6.106 4.148 -10.096 782 HB2 ARG 108 1HB ARG 108 -4.292 6.535 -9.706 783 HB3 ARG 108 2HB ARG 108 -5.403 6.280 -11.046 784 HG2 ARG 108 1HG ARG 108 -7.173 6.128 -9.098 785 HG3 ARG 108 2HG ARG 108 -5.959 7.081 -8.242 786 HD2 ARG 108 1HD ARG 108 -7.470 8.608 -9.271 787 HD3 ARG 108 2HD ARG 108 -5.960 8.663 -10.181 788 HE ARG 108 HE ARG 108 -7.819 6.809 -11.296 789 HH11 ARG 108 2HH1 ARG 108 -6.996 10.186 -11.106 790 HH12 ARG 108 1HH1 ARG 108 -7.729 10.584 -12.625 791 HH21 ARG 108 2HH2 ARG 108 -8.788 7.320 -13.297 792 HH22 ARG 108 1HH2 ARG 108 -8.749 8.953 -13.869 793 H GLN 109 H GLN 109 -2.738 4.522 -9.098 794 HA GLN 109 HA GLN 109 -1.928 2.670 -11.182 795 HB2 GLN 109 1HB GLN 109 -0.223 4.108 -12.113 796 HB3 GLN 109 2HB GLN 109 -1.786 4.902 -12.248 797 HG2 GLN 109 1HG GLN 109 -0.119 5.498 -9.867 798 HG3 GLN 109 2HG GLN 109 0.365 6.180 -11.419 799 HE21 GLN 109 1HE2 GLN 109 -0.298 7.859 -9.419 800 HE22 GLN 109 2HE2 GLN 109 -1.819 8.614 -9.738 801 HA PRO 110 HA PRO 110 0.752 1.318 -7.963 802 HB2 PRO 110 1HB PRO 110 2.536 -0.084 -9.452 803 HB3 PRO 110 2HB PRO 110 0.898 -0.660 -9.122 804 HG2 PRO 110 1HG PRO 110 1.972 0.699 -11.564 805 HG3 PRO 110 2HG PRO 110 0.878 -0.692 -11.448 806 HD2 PRO 110 1HD PRO 110 -0.004 1.817 -11.961 807 HD3 PRO 110 2HD PRO 110 -0.966 0.633 -11.054 808 H TYR 111 H TYR 111 3.423 0.896 -8.040 809 HA TYR 111 HA TYR 111 4.609 3.470 -8.828 810 HB2 TYR 111 1HB TYR 111 4.169 3.605 -6.448 811 HB3 TYR 111 2HB TYR 111 4.954 2.053 -6.179 812 HD1 TYR 111 1HD TYR 111 5.636 5.495 -7.429 813 HD2 TYR 111 2HD TYR 111 7.218 1.975 -5.640 814 HE1 TYR 111 1HE TYR 111 7.778 6.649 -7.070 815 HE2 TYR 111 2HE TYR 111 9.365 3.118 -5.273 816 HH TYR 111 HH TYR 111 10.458 5.483 -6.720 817 H TYR 112 H TYR 112 6.171 3.090 -10.239 818 HA TYR 112 HA TYR 112 7.614 0.542 -10.137 819 HB2 TYR 112 1HB TYR 112 7.762 2.605 -12.332 820 HB3 TYR 112 2HB TYR 112 8.207 0.904 -12.411 821 HD1 TYR 112 1HD TYR 112 5.944 -0.504 -11.334 822 HD2 TYR 112 2HD TYR 112 6.001 2.977 -13.779 823 HE1 TYR 112 1HE TYR 112 3.696 -1.057 -12.163 824 HE2 TYR 112 2HE TYR 112 3.752 2.435 -14.614 825 HH TYR 112 HH TYR 112 2.244 0.647 -14.814 826 H SER 113 H SER 113 9.772 0.403 -9.789 827 HA SER 113 HA SER 113 11.160 2.911 -9.119 828 HB2 SER 113 1HB SER 113 11.233 0.168 -7.950 829 HB3 SER 113 2HB SER 113 12.717 1.121 -7.914 830 HG SER 113 HG SER 113 11.054 2.813 -7.086 831 H GLY 114 H GLY 114 11.904 -0.376 -10.305 832 HA2 GLY 114 1HA GLY 114 12.985 0.067 -12.706 833 HA3 GLY 114 2HA GLY 114 14.274 0.635 -11.656 834 HA PRO 115 HA PRO 115 14.485 -4.038 -12.402 835 HB2 PRO 115 1HB PRO 115 16.738 -4.050 -13.914 836 HB3 PRO 115 2HB PRO 115 15.116 -3.921 -14.607 837 HG2 PRO 115 1HG PRO 115 17.116 -1.764 -14.056 838 HG3 PRO 115 2HG PRO 115 16.082 -1.994 -15.477 839 HD2 PRO 115 1HD PRO 115 15.489 -0.225 -13.516 840 HD3 PRO 115 2HD PRO 115 14.238 -1.080 -14.440 841 H SER 116 H SER 116 16.846 -1.541 -11.661 842 HA SER 116 HA SER 116 18.626 -3.366 -10.306 843 HB2 SER 116 1HB SER 116 19.864 -1.281 -9.697 844 HB3 SER 116 2HB SER 116 19.608 -1.462 -11.432 845 HG SER 116 HG SER 116 17.676 -0.067 -9.990 846 H SER 117 H SER 117 19.390 -2.514 -8.027 847 HA SER 117 HA SER 117 17.086 -1.768 -6.382 848 HB2 SER 117 1HB SER 117 17.713 -3.579 -4.744 849 HB3 SER 117 2HB SER 117 17.036 -4.166 -6.263 850 HG SER 117 HG SER 117 19.086 -5.147 -5.358 851 H GLY 118 H GLY 118 17.634 -0.170 -5.061 852 HA2 GLY 118 1HA GLY 118 19.179 0.365 -3.154 853 HA3 GLY 118 2HA GLY 118 20.478 0.092 -4.305 854 H1 MET 1 H MET 1 9.223 9.242 25.945 855 HA MET 1 HA MET 1 8.541 6.654 25.043 856 HB2 MET 1 1HB MET 1 7.574 9.401 24.263 857 HB3 MET 1 2HB MET 1 6.908 7.932 23.564 858 HG2 MET 1 1HG MET 1 6.166 7.183 25.728 859 HG3 MET 1 2HG MET 1 6.939 8.562 26.504 860 HE1 MET 1 3HE MET 1 3.259 9.579 27.046 861 HE2 MET 1 1HE MET 1 3.954 7.965 27.189 862 HE3 MET 1 2HE MET 1 4.856 9.366 27.766 863 H ASP 2 H ASP 2 9.178 5.537 23.317 864 HA ASP 2 HA ASP 2 10.132 6.903 20.935 865 HB2 ASP 2 1HB ASP 2 12.221 5.538 20.869 866 HB3 ASP 2 2HB ASP 2 12.190 6.710 22.183 867 H ASN 3 H ASN 3 9.455 5.880 19.163 868 HA ASN 3 HA ASN 3 8.980 2.994 19.254 869 HB2 ASN 3 1HB ASN 3 6.815 3.976 19.776 870 HB3 ASN 3 2HB ASN 3 6.927 5.035 18.373 871 HD21 ASN 3 1HD2 ASN 3 5.698 2.190 19.527 872 HD22 ASN 3 2HD2 ASN 3 5.342 1.413 18.025 873 H GLN 4 H GLN 4 9.132 1.953 17.264 874 HA GLN 4 HA GLN 4 10.171 3.622 15.071 875 HB2 GLN 4 1HB GLN 4 10.995 0.945 16.111 876 HB3 GLN 4 2HB GLN 4 11.213 1.294 14.401 877 HG2 GLN 4 1HG GLN 4 12.790 2.920 14.791 878 HG3 GLN 4 2HG GLN 4 12.219 3.229 16.430 879 HE21 GLN 4 1HE2 GLN 4 14.166 2.985 17.432 880 HE22 GLN 4 2HE2 GLN 4 15.005 1.478 17.533 881 H GLY 5 H GLY 5 10.005 2.366 12.892 882 HA2 GLY 5 1HA GLY 5 8.699 1.344 11.286 883 HA3 GLY 5 2HA GLY 5 7.766 0.609 12.581 884 H VAL 6 H VAL 6 6.589 1.563 10.244 885 HA VAL 6 HA VAL 6 5.402 4.143 10.907 886 HB VAL 6 HB VAL 6 4.150 3.711 8.696 887 HG11 VAL 6 1HG1 VAL 6 7.048 4.305 9.056 888 HG12 VAL 6 2HG1 VAL 6 6.398 4.176 7.419 889 HG13 VAL 6 3HG1 VAL 6 5.734 5.364 8.543 890 HG21 VAL 6 3HG2 VAL 6 4.702 1.268 8.686 891 HG22 VAL 6 1HG2 VAL 6 5.091 2.116 7.189 892 HG23 VAL 6 2HG2 VAL 6 6.372 1.707 8.330 893 H ILE 7 H ILE 7 3.202 4.466 11.246 894 HA ILE 7 HA ILE 7 1.846 2.356 12.602 895 HB ILE 7 HB ILE 7 0.679 4.990 11.702 896 HG12 ILE 7 1HG1 ILE 7 2.822 5.158 13.055 897 HG13 ILE 7 2HG1 ILE 7 1.418 5.966 13.741 898 HG21 ILE 7 1HG2 ILE 7 -1.176 4.034 12.512 899 HG22 ILE 7 2HG2 ILE 7 -0.275 2.756 13.325 900 HG23 ILE 7 3HG2 ILE 7 -0.459 4.331 14.096 901 HD11 ILE 7 3HD1 ILE 7 3.080 4.255 15.066 902 HD12 ILE 7 1HD1 ILE 7 1.446 4.691 15.564 903 HD13 ILE 7 2HD1 ILE 7 1.723 3.213 14.640 904 H PTR 8 H PTR 8 -0.093 1.324 12.045 905 HA PTR 8 HA PTR 8 -0.697 1.336 9.161 906 HB2 PTR 8 2HB PTR 8 -0.599 -0.909 11.156 907 HB3 PTR 8 3HB PTR 8 -1.561 -1.051 9.688 908 HD1 PTR 8 1HD PTR 8 -0.560 -2.074 7.884 909 HD2 PTR 8 2HD PTR 8 1.894 -0.016 10.685 910 HE1 PTR 8 1HE PTR 8 1.441 -2.772 6.635 911 HE2 PTR 8 2HE PTR 8 3.901 -0.708 9.444 912 H SER 9 H SER 9 -2.517 2.440 8.850 913 HA SER 9 HA SER 9 -4.535 2.750 10.832 914 HB2 SER 9 1HB SER 9 -4.168 3.589 7.998 915 HB3 SER 9 2HB SER 9 -5.812 3.577 8.634 916 HG SER 9 HG SER 9 -3.728 4.798 10.080 917 H ASP 10 H ASP 10 -5.750 1.089 11.458 918 HA ASP 10 HA ASP 10 -6.277 -1.233 10.010 919 HB2 ASP 10 1HB ASP 10 -7.410 0.047 12.438 920 HB3 ASP 10 2HB ASP 10 -8.390 -1.197 11.669 921 H LEU 11 H LEU 11 -8.611 -1.966 9.513 922 HA LEU 11 HA LEU 11 -9.774 0.049 7.725 923 HB2 LEU 11 1HB LEU 11 -9.572 -2.905 7.697 924 HB3 LEU 11 2HB LEU 11 -11.032 -2.200 7.007 925 HG LEU 11 HG LEU 11 -9.710 -0.961 5.396 926 HD11 LEU 11 1HD1 LEU 11 -7.511 -0.611 5.545 927 HD12 LEU 11 2HD1 LEU 11 -7.176 -2.296 5.942 928 HD13 LEU 11 3HD1 LEU 11 -7.668 -1.174 7.210 929 HD21 LEU 11 3HD2 LEU 11 -10.298 -2.998 4.488 930 HD22 LEU 11 1HD2 LEU 11 -9.314 -3.913 5.631 931 HD23 LEU 11 2HD2 LEU 11 -8.543 -3.025 4.316 932 H ASN 12 H ASN 12 -12.283 -0.811 7.336 933 HA ASN 12 HA ASN 12 -13.544 -0.201 9.889 934 HB2 ASN 12 1HB ASN 12 -15.357 0.573 8.693 935 HB3 ASN 12 2HB ASN 12 -14.069 0.843 7.522 936 HD21 ASN 12 1HD2 ASN 12 -13.877 -0.552 5.749 937 HD22 ASN 12 2HD2 ASN 12 -15.196 -1.540 5.231 938 H LEU 13 H LEU 13 -14.020 -2.565 7.260 939 HA LEU 13 HA LEU 13 -15.901 -4.199 8.305 940 HB2 LEU 13 1HB LEU 13 -13.527 -5.592 7.212 941 HB3 LEU 13 2HB LEU 13 -15.234 -5.785 6.818 942 HG LEU 13 HG LEU 13 -14.843 -3.370 5.752 943 HD11 LEU 13 1HD1 LEU 13 -12.424 -3.480 6.526 944 HD12 LEU 13 2HD1 LEU 13 -12.704 -3.060 4.837 945 HD13 LEU 13 3HD1 LEU 13 -12.190 -4.692 5.266 946 HD21 LEU 13 3HD2 LEU 13 -15.505 -5.712 4.774 947 HD22 LEU 13 1HD2 LEU 13 -13.852 -5.687 4.160 948 HD23 LEU 13 2HD2 LEU 13 -14.979 -4.407 3.710 949 HA PRO 14 HA PRO 14 -12.596 -6.584 10.929 950 HB2 PRO 14 1HB PRO 14 -10.230 -5.316 11.337 951 HB3 PRO 14 2HB PRO 14 -10.513 -6.408 9.975 952 HG2 PRO 14 1HG PRO 14 -10.588 -3.417 10.050 953 HG3 PRO 14 2HG PRO 14 -9.877 -4.487 8.829 954 HD2 PRO 14 1HD PRO 14 -12.288 -3.298 8.499 955 HD3 PRO 14 2HD PRO 14 -11.910 -4.896 7.823 956 HA PRO 15 HA PRO 15 -13.521 -4.474 14.676 957 HB2 PRO 15 1HB PRO 15 -11.855 -5.707 16.430 958 HB3 PRO 15 2HB PRO 15 -13.282 -6.494 15.746 959 HG2 PRO 15 1HG PRO 15 -10.411 -6.735 14.930 960 HG3 PRO 15 2HG PRO 15 -11.637 -8.006 15.101 961 HD2 PRO 15 1HD PRO 15 -10.939 -6.969 12.699 962 HD3 PRO 15 2HD PRO 15 -12.581 -7.547 13.049 Start of MODEL 9 1 H1 GLY 1 H GLY 1 13.331 -11.107 -8.444 2 HA2 GLY 1 1HA GLY 1 11.426 -9.904 -7.737 3 HA3 GLY 1 2HA GLY 1 11.436 -9.036 -9.264 4 H SER 2 H SER 2 10.306 -9.830 -10.995 5 HA SER 2 HA SER 2 8.769 -12.299 -10.512 6 HB2 SER 2 1HB SER 2 7.387 -10.225 -10.354 7 HB3 SER 2 2HB SER 2 7.812 -9.856 -12.024 8 HG SER 2 HG SER 2 6.178 -11.896 -11.006 9 H SER 3 H SER 3 9.184 -13.853 -11.921 10 HA SER 3 HA SER 3 10.908 -13.627 -14.087 11 HB2 SER 3 1HB SER 3 8.920 -15.674 -13.207 12 HB3 SER 3 2HB SER 3 9.609 -15.820 -14.823 13 HG SER 3 HG SER 3 11.268 -16.664 -13.869 14 H GLY 4 H GLY 4 10.455 -12.034 -15.547 15 HA2 GLY 4 1HA GLY 4 9.516 -11.842 -17.795 16 HA3 GLY 4 2HA GLY 4 7.993 -12.417 -17.133 17 H SER 5 H SER 5 6.715 -10.704 -17.659 18 HA SER 5 HA SER 5 7.368 -8.010 -17.541 19 HB2 SER 5 1HB SER 5 5.337 -8.887 -18.639 20 HB3 SER 5 2HB SER 5 4.649 -9.255 -17.057 21 HG SER 5 HG SER 5 4.837 -6.979 -16.598 22 H SER 6 H SER 6 7.626 -6.574 -15.954 23 HA SER 6 HA SER 6 7.510 -7.459 -13.218 24 HB2 SER 6 1HB SER 6 9.273 -5.906 -14.215 25 HB3 SER 6 2HB SER 6 8.044 -4.642 -14.165 26 HG SER 6 HG SER 6 8.477 -4.418 -12.133 27 H GLY 7 H GLY 7 6.363 -6.323 -11.521 28 HA2 GLY 7 1HA GLY 7 3.914 -4.971 -12.464 29 HA3 GLY 7 2HA GLY 7 3.832 -6.266 -11.278 30 H TRP 8 H TRP 8 3.068 -5.172 -9.541 31 HA TRP 8 HA TRP 8 4.574 -2.806 -8.655 32 HB2 TRP 8 1HB TRP 8 2.426 -2.749 -7.055 33 HB3 TRP 8 2HB TRP 8 2.431 -2.025 -8.661 34 HD1 TRP 8 HD TRP 8 0.319 -2.604 -9.963 35 HE1 TRP 8 1HE TRP 8 -1.294 -4.605 -10.090 36 HE3 TRP 8 3HE TRP 8 2.577 -5.682 -6.563 37 HZ2 TRP 8 2HZ TRP 8 -1.575 -7.151 -8.903 38 HZ3 TRP 8 3HZ TRP 8 1.571 -7.883 -6.116 39 HH2 TRP 8 HH TRP 8 -0.461 -8.600 -7.262 40 H TYR 9 H TYR 9 5.399 -5.603 -8.278 41 HA TYR 9 HA TYR 9 5.151 -5.894 -5.368 42 HB2 TYR 9 1HB TYR 9 4.673 -7.811 -7.046 43 HB3 TYR 9 2HB TYR 9 6.424 -7.920 -7.188 44 HD1 TYR 9 1HD TYR 9 3.658 -8.027 -4.701 45 HD2 TYR 9 2HD TYR 9 7.660 -9.140 -5.622 46 HE1 TYR 9 1HE TYR 9 3.726 -9.430 -2.682 47 HE2 TYR 9 2HE TYR 9 7.738 -10.547 -3.607 48 HH TYR 9 HH TYR 9 6.408 -11.573 -2.024 49 H HIS 10 H HIS 10 6.710 -4.966 -4.228 50 HA HIS 10 HA HIS 10 9.336 -4.525 -5.397 51 HB2 HIS 10 1HB HIS 10 8.046 -3.631 -2.819 52 HB3 HIS 10 2HB HIS 10 9.741 -3.328 -3.184 53 HD1 HIS 10 1HD HIS 10 10.135 -1.103 -4.161 54 HD2 HIS 10 2HD HIS 10 6.349 -2.537 -5.092 55 HE1 HIS 10 1HE HIS 10 9.034 0.723 -5.494 56 HE2 HIS 10 2HE HIS 10 6.714 -0.133 -5.973 57 H GLY 11 H GLY 11 8.071 -5.945 -2.372 58 HA2 GLY 11 1HA GLY 11 8.773 -8.139 -1.656 59 HA3 GLY 11 2HA GLY 11 10.308 -7.862 -2.466 60 H HIS 12 H HIS 12 11.974 -7.306 -1.232 61 HA HIS 12 HA HIS 12 11.591 -6.860 1.578 62 HB2 HIS 12 1HB HIS 12 14.066 -6.884 -0.154 63 HB3 HIS 12 2HB HIS 12 14.101 -6.659 1.592 64 HD1 HIS 12 1HD HIS 12 15.440 -9.080 0.114 65 HD2 HIS 12 2HD HIS 12 11.712 -9.139 1.947 66 HE1 HIS 12 1HE HIS 12 14.995 -11.495 0.655 67 HE2 HIS 12 2HE HIS 12 12.697 -11.516 1.686 68 H MET 13 H MET 13 11.401 -4.976 2.596 69 HA MET 13 HA MET 13 12.791 -2.627 1.907 70 HB2 MET 13 1HB MET 13 11.292 -2.469 0.028 71 HB3 MET 13 2HB MET 13 9.895 -2.743 1.060 72 HG2 MET 13 1HG MET 13 10.701 -0.589 2.268 73 HG3 MET 13 2HG MET 13 11.584 -0.305 0.769 74 HE1 MET 13 3HE MET 13 9.205 -0.737 -1.853 75 HE2 MET 13 1HE MET 13 9.530 0.982 -1.626 76 HE3 MET 13 2HE MET 13 10.804 -0.202 -1.332 77 H SER 14 H SER 14 12.752 -1.186 3.568 78 HA SER 14 HA SER 14 11.483 -2.016 6.000 79 HB2 SER 14 1HB SER 14 13.740 -0.973 5.941 80 HB3 SER 14 2HB SER 14 12.999 0.541 5.424 81 HG SER 14 HG SER 14 11.809 0.515 7.395 82 H GLY 15 H GLY 15 9.763 -1.130 7.057 83 HA2 GLY 15 1HA GLY 15 7.634 -0.069 5.739 84 HA3 GLY 15 2HA GLY 15 7.932 0.219 7.446 85 H GLY 16 H GLY 16 9.898 1.916 7.661 86 HA2 GLY 16 1HA GLY 16 8.848 4.397 6.982 87 HA3 GLY 16 2HA GLY 16 10.519 4.116 7.446 88 H GLN 17 H GLN 17 10.935 2.301 5.135 89 HA GLN 17 HA GLN 17 11.956 4.183 3.320 90 HB2 GLN 17 1HB GLN 17 12.508 1.638 3.709 91 HB3 GLN 17 2HB GLN 17 11.319 1.400 2.435 92 HG2 GLN 17 1HG GLN 17 12.617 2.462 0.843 93 HG3 GLN 17 2HG GLN 17 13.572 3.320 2.050 94 HE21 GLN 17 1HE2 GLN 17 14.404 1.638 -0.203 95 HE22 GLN 17 2HE2 GLN 17 15.393 0.396 0.479 96 H ALA 18 H ALA 18 9.339 1.834 2.716 97 HA ALA 18 HA ALA 18 8.381 2.601 0.341 98 HB1 ALA 18 1HB ALA 18 6.096 2.409 2.056 99 HB2 ALA 18 2HB ALA 18 6.719 1.238 0.893 100 HB3 ALA 18 3HB ALA 18 7.314 1.236 2.554 101 H GLU 19 H GLU 19 7.469 4.221 3.383 102 HA GLU 19 HA GLU 19 5.763 6.138 2.464 103 HB2 GLU 19 1HB GLU 19 7.746 6.052 4.677 104 HB3 GLU 19 2HB GLU 19 7.069 7.623 4.268 105 HG2 GLU 19 1HG GLU 19 4.791 6.529 4.478 106 HG3 GLU 19 2HG GLU 19 5.630 5.170 5.221 107 H THR 20 H THR 20 9.310 6.361 2.517 108 HA THR 20 HA THR 20 9.515 8.928 1.410 109 HB THR 20 HB THR 20 11.484 6.648 1.148 110 HG1 THR 20 1HG THR 20 12.444 7.803 2.992 111 HG21 THR 20 3HG2 THR 20 12.294 8.207 -0.342 112 HG22 THR 20 1HG2 THR 20 13.057 8.752 1.151 113 HG23 THR 20 2HG2 THR 20 11.615 9.570 0.548 114 H LEU 21 H LEU 21 10.228 5.861 -0.270 115 HA LEU 21 HA LEU 21 10.439 6.724 -2.825 116 HB2 LEU 21 1HB LEU 21 8.922 4.260 -1.984 117 HB3 LEU 21 2HB LEU 21 9.648 4.547 -3.565 118 HG LEU 21 HG LEU 21 11.843 4.771 -2.069 119 HD11 LEU 21 1HD1 LEU 21 9.904 3.809 -0.233 120 HD12 LEU 21 2HD1 LEU 21 11.627 4.083 0.023 121 HD13 LEU 21 3HD1 LEU 21 11.060 2.514 -0.547 122 HD21 LEU 21 3HD2 LEU 21 10.493 2.460 -3.353 123 HD22 LEU 21 1HD2 LEU 21 11.927 2.139 -2.377 124 HD23 LEU 21 2HD2 LEU 21 12.023 3.243 -3.749 125 H LEU 22 H LEU 22 7.399 6.058 -1.128 126 HA LEU 22 HA LEU 22 5.707 6.621 -3.326 127 HB2 LEU 22 1HB LEU 22 5.309 6.460 -0.363 128 HB3 LEU 22 2HB LEU 22 4.005 7.011 -1.414 129 HG LEU 22 HG LEU 22 5.369 4.347 -1.746 130 HD11 LEU 22 1HD1 LEU 22 3.167 3.523 -0.704 131 HD12 LEU 22 2HD1 LEU 22 3.048 5.148 -0.030 132 HD13 LEU 22 3HD1 LEU 22 4.429 4.127 0.369 133 HD21 LEU 22 3HD2 LEU 22 3.180 5.798 -3.075 134 HD22 LEU 22 1HD2 LEU 22 2.864 4.100 -2.719 135 HD23 LEU 22 2HD2 LEU 22 4.261 4.550 -3.696 136 H GLN 23 H GLN 23 6.341 8.559 -0.394 137 HA GLN 23 HA GLN 23 5.032 10.864 -1.128 138 HB2 GLN 23 1HB GLN 23 7.556 10.513 0.489 139 HB3 GLN 23 2HB GLN 23 6.717 12.052 0.339 140 HG2 GLN 23 1HG GLN 23 4.757 11.145 1.394 141 HG3 GLN 23 2HG GLN 23 5.474 9.535 1.423 142 HE21 GLN 23 1HE2 GLN 23 4.484 11.065 3.643 143 HE22 GLN 23 2HE2 GLN 23 5.812 11.306 4.722 144 H ALA 24 H ALA 24 8.525 10.271 -1.557 145 HA ALA 24 HA ALA 24 9.309 12.480 -2.895 146 HB1 ALA 24 1HB ALA 24 11.057 11.052 -2.636 147 HB2 ALA 24 2HB ALA 24 10.109 9.632 -3.080 148 HB3 ALA 24 3HB ALA 24 10.701 10.724 -4.332 149 H LYS 25 H LYS 25 7.475 9.792 -4.262 150 HA LYS 25 HA LYS 25 7.569 10.574 -6.955 151 HB2 LYS 25 1HB LYS 25 6.772 8.359 -6.059 152 HB3 LYS 25 2HB LYS 25 5.276 9.157 -5.590 153 HG2 LYS 25 1HG LYS 25 4.761 8.175 -7.626 154 HG3 LYS 25 2HG LYS 25 5.109 9.852 -8.056 155 HD2 LYS 25 1HD LYS 25 7.552 8.894 -8.363 156 HD3 LYS 25 2HD LYS 25 6.678 7.379 -8.597 157 HE2 LYS 25 1HE LYS 25 6.813 8.200 -10.752 158 HE3 LYS 25 2HE LYS 25 5.226 8.771 -10.239 159 HZ1 LYS 25 3HZ LYS 25 6.750 10.424 -11.389 160 HZ2 LYS 25 1HZ LYS 25 7.641 10.451 -9.951 161 HZ3 LYS 25 2HZ LYS 25 6.018 10.930 -9.951 162 H GLY 26 H GLY 26 5.265 11.372 -4.377 163 HA2 GLY 26 1HA GLY 26 3.899 13.217 -4.153 164 HA3 GLY 26 2HA GLY 26 4.645 13.886 -5.596 165 H GLU 27 H GLU 27 3.558 10.803 -6.251 166 HA GLU 27 HA GLU 27 1.301 11.866 -7.747 167 HB2 GLU 27 1HB GLU 27 2.836 9.293 -7.785 168 HB3 GLU 27 2HB GLU 27 1.241 9.368 -8.519 169 HG2 GLU 27 1HG GLU 27 2.265 11.490 -9.700 170 HG3 GLU 27 2HG GLU 27 3.779 10.656 -9.355 171 HA PRO 28 HA PRO 28 -1.495 10.606 -4.514 172 HB2 PRO 28 1HB PRO 28 -3.760 11.371 -5.801 173 HB3 PRO 28 2HB PRO 28 -2.674 12.516 -5.004 174 HG2 PRO 28 1HG PRO 28 -2.878 11.804 -7.904 175 HG3 PRO 28 2HG PRO 28 -2.687 13.400 -7.155 176 HD2 PRO 28 1HD PRO 28 -0.613 12.047 -8.249 177 HD3 PRO 28 2HD PRO 28 -0.419 13.126 -6.852 178 H TRP 29 H TRP 29 -2.724 8.820 -4.125 179 HA TRP 29 HA TRP 29 -3.765 6.821 -4.446 180 HB2 TRP 29 1HB TRP 29 -4.026 7.457 -7.377 181 HB3 TRP 29 2HB TRP 29 -5.081 6.469 -6.370 182 HD1 TRP 29 HD TRP 29 -5.411 9.479 -8.113 183 HE1 TRP 29 1HE TRP 29 -6.936 11.190 -6.943 184 HE3 TRP 29 3HE TRP 29 -5.432 7.470 -3.412 185 HZ2 TRP 29 2HZ TRP 29 -8.005 11.632 -4.368 186 HZ3 TRP 29 3HZ TRP 29 -6.731 8.598 -1.653 187 HH2 TRP 29 HH TRP 29 -7.990 10.636 -2.123 188 H THR 30 H THR 30 -0.891 7.160 -4.749 189 HA THR 30 HA THR 30 -0.151 5.220 -6.795 190 HB THR 30 HB THR 30 1.557 6.815 -4.876 191 HG1 THR 30 1HG THR 30 0.570 8.013 -6.596 192 HG21 THR 30 3HG2 THR 30 3.059 5.179 -5.278 193 HG22 THR 30 1HG2 THR 30 3.234 5.975 -6.842 194 HG23 THR 30 2HG2 THR 30 2.177 4.573 -6.680 195 H PHE 31 H PHE 31 -0.823 3.233 -6.098 196 HA PHE 31 HA PHE 31 -0.182 2.356 -3.398 197 HB2 PHE 31 1HB PHE 31 -1.585 0.497 -3.800 198 HB3 PHE 31 2HB PHE 31 -2.383 1.851 -4.595 199 HD1 PHE 31 1HD PHE 31 -2.090 2.115 -7.093 200 HD2 PHE 31 2HD PHE 31 -0.997 -1.420 -4.991 201 HE1 PHE 31 1HE PHE 31 -2.128 0.852 -9.205 202 HE2 PHE 31 2HE PHE 31 -1.032 -2.689 -7.099 203 HZ PHE 31 HZ PHE 31 -1.597 -1.553 -9.209 204 H LEU 32 H LEU 32 0.919 0.304 -3.030 205 HA LEU 32 HA LEU 32 2.517 -0.849 -5.111 206 HB2 LEU 32 1HB LEU 32 4.622 -0.118 -4.542 207 HB3 LEU 32 2HB LEU 32 3.659 1.344 -4.340 208 HG LEU 32 HG LEU 32 3.554 0.539 -1.837 209 HD11 LEU 32 1HD1 LEU 32 6.165 -0.325 -1.679 210 HD12 LEU 32 2HD1 LEU 32 5.513 -1.234 -3.043 211 HD13 LEU 32 3HD1 LEU 32 4.723 -1.319 -1.469 212 HD21 LEU 32 3HD2 LEU 32 5.729 1.793 -1.464 213 HD22 LEU 32 1HD2 LEU 32 4.473 2.641 -2.368 214 HD23 LEU 32 2HD2 LEU 32 5.839 1.919 -3.221 215 H VAL 33 H VAL 33 2.837 -2.927 -4.644 216 HA VAL 33 HA VAL 33 2.178 -3.879 -1.975 217 HB VAL 33 HB VAL 33 2.934 -5.598 -4.329 218 HG11 VAL 33 1HG1 VAL 33 1.297 -7.142 -3.137 219 HG12 VAL 33 2HG1 VAL 33 2.852 -6.866 -2.350 220 HG13 VAL 33 3HG1 VAL 33 1.410 -6.027 -1.776 221 HG21 VAL 33 3HG2 VAL 33 0.306 -5.729 -4.484 222 HG22 VAL 33 1HG2 VAL 33 0.413 -4.107 -3.802 223 HG23 VAL 33 2HG2 VAL 33 1.209 -4.475 -5.333 224 H ARG 34 H ARG 34 3.542 -5.095 -0.674 225 HA ARG 34 HA ARG 34 6.213 -5.759 -1.469 226 HB2 ARG 34 1HB ARG 34 7.305 -4.327 0.282 227 HB3 ARG 34 2HB ARG 34 6.653 -3.440 -1.089 228 HG2 ARG 34 1HG ARG 34 4.810 -2.660 0.171 229 HG3 ARG 34 2HG ARG 34 5.155 -3.778 1.493 230 HD2 ARG 34 1HD ARG 34 7.209 -1.770 0.678 231 HD3 ARG 34 2HD ARG 34 5.846 -1.265 1.674 232 HE ARG 34 HE ARG 34 8.109 -2.770 2.517 233 HH11 ARG 34 2HH1 ARG 34 4.696 -2.336 3.048 234 HH12 ARG 34 1HH1 ARG 34 4.748 -2.890 4.688 235 HH21 ARG 34 2HH2 ARG 34 8.191 -3.500 4.675 236 HH22 ARG 34 1HH2 ARG 34 6.737 -3.551 5.614 237 H GLU 35 H GLU 35 6.624 -7.614 -0.482 238 HA GLU 35 HA GLU 35 5.074 -8.870 1.384 239 HB2 GLU 35 1HB GLU 35 7.233 -9.620 0.018 240 HB3 GLU 35 2HB GLU 35 8.011 -9.329 1.567 241 HG2 GLU 35 1HG GLU 35 5.547 -10.975 1.550 242 HG3 GLU 35 2HG GLU 35 7.023 -11.688 0.903 243 H SER 36 H SER 36 5.295 -9.296 3.640 244 HA SER 36 HA SER 36 5.618 -7.011 5.221 245 HB2 SER 36 1HB SER 36 4.317 -9.187 5.724 246 HB3 SER 36 2HB SER 36 5.856 -9.800 6.331 247 HG SER 36 HG SER 36 4.217 -7.771 7.340 248 H LEU 37 H LEU 37 7.067 -7.398 7.382 249 HA LEU 37 HA LEU 37 9.822 -7.701 6.385 250 HB2 LEU 37 1HB LEU 37 8.602 -5.848 8.396 251 HB3 LEU 37 2HB LEU 37 10.324 -6.222 8.448 252 HG LEU 37 HG LEU 37 9.159 -5.236 5.889 253 HD11 LEU 37 1HD1 LEU 37 9.388 -2.936 6.565 254 HD12 LEU 37 2HD1 LEU 37 9.896 -3.423 8.182 255 HD13 LEU 37 3HD1 LEU 37 8.249 -3.747 7.640 256 HD21 LEU 37 3HD2 LEU 37 11.799 -4.934 7.312 257 HD22 LEU 37 1HD2 LEU 37 11.395 -4.145 5.787 258 HD23 LEU 37 2HD2 LEU 37 11.459 -5.905 5.878 259 H SER 38 H SER 38 7.709 -8.211 9.182 260 HA SER 38 HA SER 38 9.638 -10.203 10.179 261 HB2 SER 38 1HB SER 38 8.859 -9.774 12.413 262 HB3 SER 38 2HB SER 38 9.218 -8.216 11.668 263 HG SER 38 HG SER 38 6.677 -9.409 12.060 264 H GLN 39 H GLN 39 6.477 -9.659 9.002 265 HA GLN 39 HA GLN 39 5.401 -12.125 10.106 266 HB2 GLN 39 1HB GLN 39 4.136 -9.872 9.695 267 HB3 GLN 39 2HB GLN 39 3.997 -10.467 8.044 268 HG2 GLN 39 1HG GLN 39 2.024 -11.150 9.049 269 HG3 GLN 39 2HG GLN 39 3.036 -12.593 9.092 270 HE21 GLN 39 1HE2 GLN 39 2.252 -9.744 11.053 271 HE22 GLN 39 2HE2 GLN 39 2.252 -10.574 12.567 272 HA PRO 40 HA PRO 40 7.054 -14.251 6.504 273 HB2 PRO 40 1HB PRO 40 6.498 -16.739 7.436 274 HB3 PRO 40 2HB PRO 40 7.904 -15.807 7.965 275 HG2 PRO 40 1HG PRO 40 5.258 -16.176 9.316 276 HG3 PRO 40 2HG PRO 40 6.886 -16.206 10.018 277 HD2 PRO 40 1HD PRO 40 5.267 -14.043 10.187 278 HD3 PRO 40 2HD PRO 40 7.034 -13.907 10.089 279 H GLY 41 H GLY 41 5.734 -14.008 4.783 280 HA2 GLY 41 1HA GLY 41 4.189 -15.151 3.333 281 HA3 GLY 41 2HA GLY 41 3.266 -15.616 4.755 282 H ASP 42 H ASP 42 2.762 -13.399 6.093 283 HA ASP 42 HA ASP 42 0.636 -12.200 4.903 284 HB2 ASP 42 1HB ASP 42 1.394 -11.953 7.305 285 HB3 ASP 42 2HB ASP 42 2.498 -10.699 6.746 286 H PHE 43 H PHE 43 0.357 -9.907 4.191 287 HA PHE 43 HA PHE 43 2.659 -8.910 2.666 288 HB2 PHE 43 1HB PHE 43 -0.127 -9.394 1.599 289 HB3 PHE 43 2HB PHE 43 1.066 -8.397 0.774 290 HD1 PHE 43 1HD PHE 43 0.438 -11.822 2.041 291 HD2 PHE 43 2HD PHE 43 2.671 -9.361 -0.619 292 HE1 PHE 43 1HE PHE 43 1.360 -13.831 0.961 293 HE2 PHE 43 2HE PHE 43 3.595 -11.366 -1.705 294 HZ PHE 43 HZ PHE 43 2.938 -13.605 -0.916 295 H VAL 44 H VAL 44 1.810 -6.704 1.556 296 HA VAL 44 HA VAL 44 0.102 -5.173 3.323 297 HB VAL 44 HB VAL 44 2.987 -4.350 2.983 298 HG11 VAL 44 1HG1 VAL 44 0.739 -3.155 4.600 299 HG12 VAL 44 2HG1 VAL 44 2.418 -2.612 4.626 300 HG13 VAL 44 3HG1 VAL 44 1.464 -2.466 3.148 301 HG21 VAL 44 3HG2 VAL 44 2.979 -6.199 4.475 302 HG22 VAL 44 1HG2 VAL 44 3.084 -4.746 5.470 303 HG23 VAL 44 2HG2 VAL 44 1.549 -5.601 5.315 304 H LEU 45 H LEU 45 -0.597 -3.217 2.427 305 HA LEU 45 HA LEU 45 0.258 -2.704 -0.343 306 HB2 LEU 45 1HB LEU 45 -1.861 -3.818 -0.454 307 HB3 LEU 45 2HB LEU 45 -2.542 -2.743 0.764 308 HG LEU 45 HG LEU 45 -2.164 -0.866 -0.925 309 HD11 LEU 45 1HD1 LEU 45 -1.428 -3.250 -2.523 310 HD12 LEU 45 2HD1 LEU 45 -0.825 -1.595 -2.608 311 HD13 LEU 45 3HD1 LEU 45 -2.389 -2.000 -3.315 312 HD21 LEU 45 3HD2 LEU 45 -4.379 -1.436 -0.543 313 HD22 LEU 45 1HD2 LEU 45 -4.179 -3.063 -1.193 314 HD23 LEU 45 2HD2 LEU 45 -4.210 -1.676 -2.283 315 H SER 46 H SER 46 1.456 -0.902 -0.014 316 HA SER 46 HA SER 46 0.441 1.236 1.680 317 HB2 SER 46 1HB SER 46 2.999 1.207 0.069 318 HB3 SER 46 2HB SER 46 2.599 2.258 1.428 319 HG SER 46 HG SER 46 2.770 -0.564 1.633 320 H VAL 47 H VAL 47 -0.431 3.095 0.973 321 HA VAL 47 HA VAL 47 -0.306 3.711 -1.898 322 HB VAL 47 HB VAL 47 -2.818 3.745 -0.219 323 HG11 VAL 47 1HG1 VAL 47 -3.119 5.575 -1.588 324 HG12 VAL 47 2HG1 VAL 47 -2.170 4.882 -2.904 325 HG13 VAL 47 3HG1 VAL 47 -3.796 4.282 -2.577 326 HG21 VAL 47 3HG2 VAL 47 -2.858 1.590 -0.860 327 HG22 VAL 47 1HG2 VAL 47 -3.356 2.245 -2.420 328 HG23 VAL 47 2HG2 VAL 47 -1.663 1.841 -2.133 329 H LEU 48 H LEU 48 -0.246 5.866 -2.415 330 HA LEU 48 HA LEU 48 0.203 7.687 -0.170 331 HB2 LEU 48 1HB LEU 48 1.887 7.429 -2.012 332 HB3 LEU 48 2HB LEU 48 0.716 8.172 -3.098 333 HG LEU 48 HG LEU 48 0.775 10.205 -1.636 334 HD11 LEU 48 1HD1 LEU 48 3.084 8.732 -0.376 335 HD12 LEU 48 2HD1 LEU 48 1.581 9.214 0.410 336 HD13 LEU 48 3HD1 LEU 48 2.721 10.442 -0.138 337 HD21 LEU 48 3HD2 LEU 48 3.119 10.856 -2.395 338 HD22 LEU 48 1HD2 LEU 48 1.985 10.340 -3.642 339 HD23 LEU 48 2HD2 LEU 48 3.230 9.230 -3.070 340 H SER 49 H SER 49 -1.803 8.334 0.487 341 HA SER 49 HA SER 49 -4.021 8.872 -1.078 342 HB2 SER 49 1HB SER 49 -4.744 10.364 0.826 343 HB3 SER 49 2HB SER 49 -4.261 8.737 1.306 344 HG SER 49 HG SER 49 -2.078 9.896 1.548 345 H ASP 50 H ASP 50 -4.991 10.888 -1.724 346 HA ASP 50 HA ASP 50 -3.092 12.628 -3.004 347 HB2 ASP 50 1HB ASP 50 -4.969 12.223 -4.334 348 HB3 ASP 50 2HB ASP 50 -6.086 12.410 -2.984 349 H GLN 51 H GLN 51 -4.100 12.503 0.074 350 HA GLN 51 HA GLN 51 -4.386 15.393 0.437 351 HB2 GLN 51 1HB GLN 51 -4.673 13.164 2.457 352 HB3 GLN 51 2HB GLN 51 -5.045 14.860 2.728 353 HG2 GLN 51 1HG GLN 51 -7.132 14.081 2.310 354 HG3 GLN 51 2HG GLN 51 -6.640 14.481 0.665 355 HE21 GLN 51 1HE2 GLN 51 -6.410 12.884 -0.817 356 HE22 GLN 51 2HE2 GLN 51 -6.771 11.222 -0.509 357 HA PRO 52 HA PRO 52 -0.084 15.655 1.496 358 HB2 PRO 52 1HB PRO 52 -0.127 18.246 2.303 359 HB3 PRO 52 2HB PRO 52 -0.158 17.771 0.602 360 HG2 PRO 52 1HG PRO 52 -2.422 18.585 2.384 361 HG3 PRO 52 2HG PRO 52 -2.100 19.047 0.702 362 HD2 PRO 52 1HD PRO 52 -3.902 17.140 1.370 363 HD3 PRO 52 2HD PRO 52 -2.961 17.080 -0.135 364 H LYS 53 H LYS 53 1.225 15.958 3.371 365 HA LYS 53 HA LYS 53 0.116 14.973 5.753 366 HB2 LYS 53 1HB LYS 53 2.747 16.099 4.940 367 HB3 LYS 53 2HB LYS 53 2.403 16.015 6.663 368 HG2 LYS 53 1HG LYS 53 1.861 13.580 6.323 369 HG3 LYS 53 2HG LYS 53 2.518 13.748 4.692 370 HD2 LYS 53 1HD LYS 53 4.390 13.043 5.807 371 HD3 LYS 53 2HD LYS 53 4.563 14.790 5.995 372 HE2 LYS 53 1HE LYS 53 3.631 14.693 8.211 373 HE3 LYS 53 2HE LYS 53 3.256 12.981 8.023 374 HZ1 LYS 53 3HZ LYS 53 5.844 12.902 7.568 375 HZ2 LYS 53 1HZ LYS 53 5.205 12.805 9.131 376 HZ3 LYS 53 2HZ LYS 53 5.815 14.274 8.557 377 H ALA 54 H ALA 54 1.158 18.259 4.878 378 HA ALA 54 HA ALA 54 -0.470 19.266 7.121 379 HB1 ALA 54 1HB ALA 54 2.309 19.711 6.528 380 HB2 ALA 54 2HB ALA 54 1.419 21.235 6.511 381 HB3 ALA 54 3HB ALA 54 1.370 20.201 7.939 382 H GLY 55 H GLY 55 0.940 20.189 3.975 383 HA2 GLY 55 1HA GLY 55 -1.558 21.115 2.970 384 HA3 GLY 55 2HA GLY 55 -0.556 22.464 3.483 385 HA PRO 56 HA PRO 56 0.542 21.793 -0.901 386 HB2 PRO 56 1HB PRO 56 1.083 24.410 -1.378 387 HB3 PRO 56 2HB PRO 56 -0.551 23.741 -1.442 388 HG2 PRO 56 1HG PRO 56 0.790 25.260 0.761 389 HG3 PRO 56 2HG PRO 56 -0.862 25.420 0.137 390 HD2 PRO 56 1HD PRO 56 -0.291 24.064 2.409 391 HD3 PRO 56 2HD PRO 56 -1.626 23.605 1.334 392 H GLY 57 H GLY 57 2.441 20.648 -0.263 393 HA2 GLY 57 1HA GLY 57 4.841 21.401 -1.028 394 HA3 GLY 57 2HA GLY 57 4.763 22.254 0.507 395 H SER 58 H SER 58 3.186 20.101 1.763 396 HA SER 58 HA SER 58 5.411 18.502 2.629 397 HB2 SER 58 1HB SER 58 3.902 17.603 4.279 398 HB3 SER 58 2HB SER 58 3.599 19.337 4.159 399 HG SER 58 HG SER 58 1.859 18.753 2.683 400 HA PRO 59 HA PRO 59 4.888 14.967 0.080 401 HB2 PRO 59 1HB PRO 59 5.672 12.994 1.772 402 HB3 PRO 59 2HB PRO 59 6.803 14.143 1.047 403 HG2 PRO 59 1HG PRO 59 5.584 14.154 3.781 404 HG3 PRO 59 2HG PRO 59 7.257 14.495 3.300 405 HD2 PRO 59 1HD PRO 59 5.472 16.454 3.855 406 HD3 PRO 59 2HD PRO 59 6.764 16.652 2.653 407 H LEU 60 H LEU 60 2.981 14.156 -0.506 408 HA LEU 60 HA LEU 60 0.660 13.946 0.795 409 HB2 LEU 60 1HB LEU 60 1.858 12.051 -1.198 410 HB3 LEU 60 2HB LEU 60 0.219 11.831 -0.589 411 HG LEU 60 HG LEU 60 1.256 14.186 -2.165 412 HD11 LEU 60 1HD1 LEU 60 0.917 12.493 -3.707 413 HD12 LEU 60 2HD1 LEU 60 -0.638 13.321 -3.699 414 HD13 LEU 60 3HD1 LEU 60 -0.441 11.810 -2.814 415 HD21 LEU 60 3HD2 LEU 60 -1.188 14.830 -2.161 416 HD22 LEU 60 1HD2 LEU 60 -0.325 15.059 -0.640 417 HD23 LEU 60 2HD2 LEU 60 -1.400 13.675 -0.845 418 H ARG 61 H ARG 61 -0.464 12.475 2.082 419 HA ARG 61 HA ARG 61 1.110 11.110 4.025 420 HB2 ARG 61 1HB ARG 61 -1.219 12.233 4.277 421 HB3 ARG 61 2HB ARG 61 -1.845 10.701 3.683 422 HG2 ARG 61 1HG ARG 61 -1.935 10.295 5.912 423 HG3 ARG 61 2HG ARG 61 -0.289 9.742 5.596 424 HD2 ARG 61 1HD ARG 61 0.654 11.711 6.462 425 HD3 ARG 61 2HD ARG 61 -0.883 12.574 6.395 426 HE ARG 61 HE ARG 61 -1.324 10.507 8.128 427 HH11 ARG 61 2HH1 ARG 61 0.964 13.124 7.932 428 HH12 ARG 61 1HH1 ARG 61 1.158 13.257 9.648 429 HH21 ARG 61 2HH2 ARG 61 -1.077 10.672 10.390 430 HH22 ARG 61 1HH2 ARG 61 -0.003 11.861 11.045 431 H VAL 62 H VAL 62 1.219 8.893 4.469 432 HA VAL 62 HA VAL 62 0.620 7.165 2.158 433 HB VAL 62 HB VAL 62 2.724 6.732 4.283 434 HG11 VAL 62 1HG1 VAL 62 3.504 5.119 2.362 435 HG12 VAL 62 2HG1 VAL 62 2.280 4.611 3.528 436 HG13 VAL 62 3HG1 VAL 62 1.796 5.165 1.924 437 HG21 VAL 62 3HG2 VAL 62 2.744 8.420 1.984 438 HG22 VAL 62 1HG2 VAL 62 4.039 8.109 3.141 439 HG23 VAL 62 2HG2 VAL 62 3.862 7.083 1.718 440 H THR 63 H THR 63 -0.575 5.361 2.435 441 HA THR 63 HA THR 63 -1.543 4.802 5.161 442 HB THR 63 HB THR 63 -2.929 4.313 2.519 443 HG1 THR 63 1HG THR 63 -3.885 5.957 4.602 444 HG21 THR 63 3HG2 THR 63 -3.838 3.750 5.342 445 HG22 THR 63 1HG2 THR 63 -3.480 2.553 4.100 446 HG23 THR 63 2HG2 THR 63 -4.856 3.639 3.908 447 H HIS 64 H HIS 64 -0.721 3.017 6.012 448 HA HIS 64 HA HIS 64 0.165 0.857 4.236 449 HB2 HIS 64 1HB HIS 64 0.739 1.177 7.184 450 HB3 HIS 64 2HB HIS 64 1.533 0.080 6.056 451 HD1 HIS 64 1HD HIS 64 3.044 1.278 4.183 452 HD2 HIS 64 2HD HIS 64 1.904 3.635 7.408 453 HE1 HIS 64 1HE HIS 64 4.589 3.262 4.144 454 HE2 HIS 64 2HE HIS 64 3.936 4.632 6.155 455 H ILE 65 H ILE 65 -1.461 -0.516 3.839 456 HA ILE 65 HA ILE 65 -3.215 -1.311 6.057 457 HB ILE 65 HB ILE 65 -3.555 -1.656 3.077 458 HG12 ILE 65 1HG1 ILE 65 -5.431 -0.142 4.845 459 HG13 ILE 65 2HG1 ILE 65 -3.913 0.620 4.380 460 HG21 ILE 65 1HG2 ILE 65 -4.949 -3.323 3.530 461 HG22 ILE 65 2HG2 ILE 65 -4.735 -3.092 5.264 462 HG23 ILE 65 3HG2 ILE 65 -5.969 -2.176 4.399 463 HD11 ILE 65 3HD1 ILE 65 -5.637 1.297 2.866 464 HD12 ILE 65 1HD1 ILE 65 -4.510 0.244 2.010 465 HD13 ILE 65 2HD1 ILE 65 -6.072 -0.380 2.541 466 H LYS 66 H LYS 66 -3.154 -3.306 6.885 467 HA LYS 66 HA LYS 66 -1.106 -5.129 6.008 468 HB2 LYS 66 1HB LYS 66 -2.033 -4.611 8.433 469 HB3 LYS 66 2HB LYS 66 -3.160 -5.901 8.034 470 HG2 LYS 66 1HG LYS 66 -1.242 -7.383 7.562 471 HG3 LYS 66 2HG LYS 66 -0.156 -6.090 8.077 472 HD2 LYS 66 1HD LYS 66 -1.154 -6.116 10.298 473 HD3 LYS 66 2HD LYS 66 -2.293 -7.364 9.787 474 HE2 LYS 66 1HE LYS 66 -0.494 -8.390 11.015 475 HE3 LYS 66 2HE LYS 66 -0.376 -8.860 9.320 476 HZ1 LYS 66 3HZ LYS 66 1.748 -8.240 9.568 477 HZ2 LYS 66 1HZ LYS 66 1.438 -7.287 10.931 478 HZ3 LYS 66 2HZ LYS 66 1.157 -6.666 9.383 479 H VAL 67 H VAL 67 -1.334 -6.736 4.605 480 HA VAL 67 HA VAL 67 -4.053 -7.536 3.820 481 HB VAL 67 HB VAL 67 -1.477 -8.009 2.317 482 HG11 VAL 67 1HG1 VAL 67 -3.610 -8.058 0.557 483 HG12 VAL 67 2HG1 VAL 67 -2.734 -9.458 1.180 484 HG13 VAL 67 3HG1 VAL 67 -4.212 -8.915 1.975 485 HG21 VAL 67 3HG2 VAL 67 -2.821 -6.232 0.807 486 HG22 VAL 67 1HG2 VAL 67 -3.309 -5.700 2.416 487 HG23 VAL 67 2HG2 VAL 67 -1.598 -5.776 1.993 488 H MET 68 H MET 68 -4.493 -9.086 5.372 489 HA MET 68 HA MET 68 -2.722 -11.110 6.194 490 HB2 MET 68 1HB MET 68 -5.713 -10.822 6.277 491 HB3 MET 68 2HB MET 68 -4.930 -12.295 6.835 492 HG2 MET 68 1HG MET 68 -3.793 -11.154 8.558 493 HG3 MET 68 2HG MET 68 -4.198 -9.579 7.881 494 HE1 MET 68 3HE MET 68 -7.314 -9.490 7.350 495 HE2 MET 68 1HE MET 68 -7.732 -8.867 8.946 496 HE3 MET 68 2HE MET 68 -6.245 -8.341 8.156 497 H CYS 69 H CYS 69 -3.235 -13.500 5.859 498 HA CYS 69 HA CYS 69 -4.059 -14.061 3.100 499 HB2 CYS 69 1HB CYS 69 -1.587 -13.875 3.154 500 HB3 CYS 69 2HB CYS 69 -1.537 -15.144 4.372 501 HG CYS 69 HG CYS 69 -3.241 -16.450 2.003 502 H GLU 70 H GLU 70 -5.388 -15.753 2.949 503 HA GLU 70 HA GLU 70 -5.478 -17.653 5.199 504 HB2 GLU 70 1HB GLU 70 -7.699 -16.300 3.705 505 HB3 GLU 70 2HB GLU 70 -7.966 -17.875 4.442 506 HG2 GLU 70 1HG GLU 70 -6.940 -16.682 6.552 507 HG3 GLU 70 2HG GLU 70 -7.502 -15.235 5.717 508 H GLY 71 H GLY 71 -4.035 -19.020 4.017 509 HA2 GLY 71 1HA GLY 71 -3.623 -20.873 2.723 510 HA3 GLY 71 2HA GLY 71 -5.358 -20.980 2.464 511 H GLY 72 H GLY 72 -2.814 -18.658 1.521 512 HA2 GLY 72 1HA GLY 72 -2.045 -18.243 -0.660 513 HA3 GLY 72 2HA GLY 72 -3.353 -19.235 -1.287 514 H ARG 73 H ARG 73 -5.352 -17.798 0.362 515 HA ARG 73 HA ARG 73 -5.949 -15.738 -1.535 516 HB2 ARG 73 1HB ARG 73 -7.342 -16.343 1.078 517 HB3 ARG 73 2HB ARG 73 -7.990 -15.420 -0.270 518 HG2 ARG 73 1HG ARG 73 -8.097 -17.370 -1.646 519 HG3 ARG 73 2HG ARG 73 -7.232 -18.325 -0.441 520 HD2 ARG 73 1HD ARG 73 -9.065 -18.168 1.092 521 HD3 ARG 73 2HD ARG 73 -9.901 -17.016 0.049 522 HE ARG 73 HE ARG 73 -9.485 -19.353 -1.414 523 HH11 ARG 73 2HH1 ARG 73 -11.278 -18.279 1.369 524 HH12 ARG 73 1HH1 ARG 73 -12.552 -19.433 1.157 525 HH21 ARG 73 2HH2 ARG 73 -11.158 -20.877 -1.705 526 HH22 ARG 73 1HH2 ARG 73 -12.482 -20.911 -0.592 527 H TYR 74 H TYR 74 -6.828 -13.576 -0.536 528 HA TYR 74 HA TYR 74 -5.079 -12.582 1.582 529 HB2 TYR 74 1HB TYR 74 -5.258 -11.283 -1.146 530 HB3 TYR 74 2HB TYR 74 -4.397 -10.634 0.246 531 HD1 TYR 74 1HD TYR 74 -2.779 -12.607 1.328 532 HD2 TYR 74 2HD TYR 74 -3.877 -12.162 -2.758 533 HE1 TYR 74 1HE TYR 74 -0.758 -13.839 0.658 534 HE2 TYR 74 2HE TYR 74 -1.860 -13.394 -3.440 535 HH TYR 74 HH TYR 74 -0.117 -14.604 -2.742 536 H THR 75 H THR 75 -5.912 -10.869 2.730 537 HA THR 75 HA THR 75 -8.324 -9.535 1.824 538 HB THR 75 HB THR 75 -9.085 -11.663 2.956 539 HG1 THR 75 1HG THR 75 -9.900 -9.343 4.376 540 HG21 THR 75 3HG2 THR 75 -8.348 -12.218 4.984 541 HG22 THR 75 1HG2 THR 75 -8.830 -10.653 5.637 542 HG23 THR 75 2HG2 THR 75 -7.236 -10.852 4.907 543 H VAL 76 H VAL 76 -9.001 -7.808 3.332 544 HA VAL 76 HA VAL 76 -6.778 -6.864 5.019 545 HB VAL 76 HB VAL 76 -7.267 -4.556 4.319 546 HG11 VAL 76 1HG1 VAL 76 -6.726 -6.283 1.911 547 HG12 VAL 76 2HG1 VAL 76 -6.154 -4.642 2.215 548 HG13 VAL 76 3HG1 VAL 76 -5.543 -5.984 3.183 549 HG21 VAL 76 3HG2 VAL 76 -8.610 -4.613 1.991 550 HG22 VAL 76 1HG2 VAL 76 -9.432 -5.918 2.846 551 HG23 VAL 76 2HG2 VAL 76 -9.378 -4.300 3.547 552 H GLY 77 H GLY 77 -7.881 -7.645 6.866 553 HA2 GLY 77 1HA GLY 77 -9.118 -7.197 8.766 554 HA3 GLY 77 2HA GLY 77 -9.727 -5.749 7.978 555 H GLY 78 H GLY 78 -10.999 -6.723 5.777 556 HA2 GLY 78 1HA GLY 78 -13.427 -7.696 6.902 557 HA3 GLY 78 2HA GLY 78 -13.096 -7.466 5.191 558 H LEU 79 H LEU 79 -14.604 -9.598 6.062 559 HA LEU 79 HA LEU 79 -13.001 -11.950 6.376 560 HB2 LEU 79 1HB LEU 79 -15.884 -11.329 6.097 561 HB3 LEU 79 2HB LEU 79 -15.368 -12.953 5.647 562 HG LEU 79 HG LEU 79 -16.228 -12.699 7.992 563 HD11 LEU 79 1HD1 LEU 79 -13.844 -14.029 7.052 564 HD12 LEU 79 2HD1 LEU 79 -15.107 -14.611 8.136 565 HD13 LEU 79 3HD1 LEU 79 -13.752 -13.684 8.779 566 HD21 LEU 79 3HD2 LEU 79 -13.790 -10.966 8.166 567 HD22 LEU 79 1HD2 LEU 79 -14.398 -11.824 9.581 568 HD23 LEU 79 2HD2 LEU 79 -15.424 -10.654 8.752 569 H GLU 80 H GLU 80 -14.245 -10.144 3.703 570 HA GLU 80 HA GLU 80 -14.467 -11.949 1.669 571 HB2 GLU 80 1HB GLU 80 -13.467 -9.136 1.776 572 HB3 GLU 80 2HB GLU 80 -13.309 -10.031 0.271 573 HG2 GLU 80 1HG GLU 80 -15.575 -10.143 -0.065 574 HG3 GLU 80 2HG GLU 80 -15.947 -9.968 1.650 575 H THR 81 H THR 81 -12.854 -12.226 -0.195 576 HA THR 81 HA THR 81 -10.071 -12.369 0.550 577 HB THR 81 HB THR 81 -9.811 -14.770 0.253 578 HG1 THR 81 1HG THR 81 -11.723 -15.001 -1.115 579 HG21 THR 81 3HG2 THR 81 -11.984 -14.211 2.272 580 HG22 THR 81 1HG2 THR 81 -10.272 -13.872 2.520 581 HG23 THR 81 2HG2 THR 81 -10.821 -15.535 2.312 582 H PHE 82 H PHE 82 -8.703 -13.092 -1.233 583 HA PHE 82 HA PHE 82 -10.015 -13.087 -3.855 584 HB2 PHE 82 1HB PHE 82 -7.634 -11.357 -3.154 585 HB3 PHE 82 2HB PHE 82 -8.392 -11.485 -4.738 586 HD1 PHE 82 2HD PHE 82 -8.733 -10.174 -1.335 587 HD2 PHE 82 1HD PHE 82 -10.467 -10.377 -5.218 588 HE1 PHE 82 2HE PHE 82 -10.258 -8.335 -0.747 589 HE2 PHE 82 1HE PHE 82 -11.995 -8.539 -4.635 590 HZ PHE 82 HZ PHE 82 -11.892 -7.516 -2.396 591 H ASP 83 H ASP 83 -8.975 -14.256 -5.442 592 HA ASP 83 HA ASP 83 -7.537 -16.484 -4.787 593 HB2 ASP 83 1HB ASP 83 -8.614 -15.938 -7.014 594 HB3 ASP 83 2HB ASP 83 -7.164 -15.016 -7.399 595 H SER 84 H SER 84 -6.307 -13.266 -5.456 596 HA SER 84 HA SER 84 -3.904 -13.707 -4.045 597 HB2 SER 84 1HB SER 84 -3.836 -14.084 -7.006 598 HB3 SER 84 2HB SER 84 -2.479 -13.258 -6.240 599 HG SER 84 HG SER 84 -2.354 -15.632 -6.432 600 H LEU 85 H LEU 85 -2.296 -11.838 -4.520 601 HA LEU 85 HA LEU 85 -3.373 -9.442 -3.865 602 HB2 LEU 85 1HB LEU 85 -0.894 -10.221 -5.297 603 HB3 LEU 85 2HB LEU 85 -1.328 -8.513 -5.294 604 HG LEU 85 HG LEU 85 0.209 -8.863 -3.518 605 HD11 LEU 85 1HD1 LEU 85 -0.966 -7.957 -1.730 606 HD12 LEU 85 2HD1 LEU 85 -2.426 -8.874 -2.097 607 HD13 LEU 85 3HD1 LEU 85 -1.953 -7.523 -3.126 608 HD21 LEU 85 3HD2 LEU 85 -0.590 -11.419 -3.461 609 HD22 LEU 85 1HD2 LEU 85 -1.463 -10.811 -2.054 610 HD23 LEU 85 2HD2 LEU 85 0.291 -10.655 -2.138 611 H THR 86 H THR 86 -2.380 -10.192 -7.212 612 HA THR 86 HA THR 86 -3.330 -8.051 -8.553 613 HB THR 86 HB THR 86 -3.666 -10.918 -9.457 614 HG1 THR 86 1HG THR 86 -1.576 -9.133 -10.155 615 HG21 THR 86 3HG2 THR 86 -4.738 -10.001 -11.196 616 HG22 THR 86 1HG2 THR 86 -3.169 -9.349 -11.671 617 HG23 THR 86 2HG2 THR 86 -4.282 -8.366 -10.720 618 H ASP 87 H ASP 87 -5.290 -10.859 -7.596 619 HA ASP 87 HA ASP 87 -7.718 -9.873 -8.671 620 HB2 ASP 87 1HB ASP 87 -7.291 -12.265 -8.128 621 HB3 ASP 87 2HB ASP 87 -7.348 -11.854 -6.416 622 H LEU 88 H LEU 88 -6.220 -9.655 -5.483 623 HA LEU 88 HA LEU 88 -8.438 -8.430 -4.199 624 HB2 LEU 88 1HB LEU 88 -6.651 -9.596 -2.988 625 HB3 LEU 88 2HB LEU 88 -5.511 -8.344 -3.480 626 HG LEU 88 HG LEU 88 -7.925 -7.535 -1.934 627 HD11 LEU 88 1HD1 LEU 88 -7.290 -8.398 0.042 628 HD12 LEU 88 2HD1 LEU 88 -5.571 -8.268 -0.330 629 HD13 LEU 88 3HD1 LEU 88 -6.510 -9.618 -0.966 630 HD21 LEU 88 3HD2 LEU 88 -6.407 -5.856 -1.077 631 HD22 LEU 88 1HD2 LEU 88 -6.343 -5.879 -2.840 632 HD23 LEU 88 2HD2 LEU 88 -5.049 -6.624 -1.901 633 H VAL 89 H VAL 89 -5.269 -6.995 -4.997 634 HA VAL 89 HA VAL 89 -5.845 -4.360 -4.592 635 HB VAL 89 HB VAL 89 -4.179 -5.424 -6.877 636 HG11 VAL 89 1HG1 VAL 89 -3.222 -3.340 -7.088 637 HG12 VAL 89 2HG1 VAL 89 -4.895 -2.915 -6.718 638 HG13 VAL 89 3HG1 VAL 89 -3.666 -2.852 -5.453 639 HG21 VAL 89 3HG2 VAL 89 -2.650 -6.081 -5.400 640 HG22 VAL 89 1HG2 VAL 89 -2.697 -4.519 -4.583 641 HG23 VAL 89 2HG2 VAL 89 -3.831 -5.788 -4.123 642 H GLU 90 H GLU 90 -6.129 -5.996 -7.752 643 HA GLU 90 HA GLU 90 -7.177 -4.006 -9.274 644 HB2 GLU 90 1HB GLU 90 -7.708 -6.954 -9.225 645 HB3 GLU 90 2HB GLU 90 -8.601 -5.927 -10.338 646 HG2 GLU 90 1HG GLU 90 -6.326 -5.073 -11.106 647 HG3 GLU 90 2HG GLU 90 -5.653 -6.452 -10.239 648 H HIS 91 H HIS 91 -9.218 -6.343 -7.508 649 HA HIS 91 HA HIS 91 -11.659 -5.122 -7.930 650 HB2 HIS 91 1HB HIS 91 -11.683 -7.279 -6.968 651 HB3 HIS 91 2HB HIS 91 -10.631 -6.790 -5.642 652 HD1 HIS 91 1HD HIS 91 -14.176 -6.968 -6.664 653 HD2 HIS 91 2HD HIS 91 -11.938 -5.282 -3.596 654 HE1 HIS 91 1HE HIS 91 -15.839 -6.333 -4.887 655 HE2 HIS 91 2HE HIS 91 -14.471 -5.239 -3.078 656 H PHE 92 H PHE 92 -9.068 -4.140 -5.879 657 HA PHE 92 HA PHE 92 -10.756 -2.284 -4.387 658 HB2 PHE 92 1HB PHE 92 -8.011 -3.369 -4.075 659 HB3 PHE 92 2HB PHE 92 -8.283 -1.733 -3.487 660 HD1 PHE 92 2HD PHE 92 -10.978 -1.845 -2.423 661 HD2 PHE 92 1HD PHE 92 -7.854 -4.730 -2.224 662 HE1 PHE 92 2HE PHE 92 -11.951 -2.752 -0.353 663 HE2 PHE 92 1HE PHE 92 -8.823 -5.642 -0.154 664 HZ PHE 92 HZ PHE 92 -10.873 -4.651 0.785 665 H LYS 93 H LYS 93 -8.740 -2.360 -7.138 666 HA LYS 93 HA LYS 93 -7.901 0.365 -7.128 667 HB2 LYS 93 1HB LYS 93 -8.118 -1.633 -9.386 668 HB3 LYS 93 2HB LYS 93 -7.354 -0.055 -9.521 669 HG2 LYS 93 1HG LYS 93 -5.959 -0.951 -7.464 670 HG3 LYS 93 2HG LYS 93 -6.415 -2.512 -8.150 671 HD2 LYS 93 1HD LYS 93 -5.326 -0.404 -9.956 672 HD3 LYS 93 2HD LYS 93 -4.213 -1.290 -8.910 673 HE2 LYS 93 1HE LYS 93 -4.885 -3.382 -9.864 674 HE3 LYS 93 2HE LYS 93 -6.184 -2.609 -10.770 675 HZ1 LYS 93 3HZ LYS 93 -3.314 -1.980 -11.174 676 HZ2 LYS 93 1HZ LYS 93 -4.618 -1.504 -12.142 677 HZ3 LYS 93 2HZ LYS 93 -4.154 -3.130 -12.088 678 H LYS 94 H LYS 94 -10.826 -1.235 -7.937 679 HA LYS 94 HA LYS 94 -11.807 1.135 -9.376 680 HB2 LYS 94 1HB LYS 94 -13.689 -0.357 -10.075 681 HB3 LYS 94 2HB LYS 94 -12.111 -0.870 -10.657 682 HG2 LYS 94 1HG LYS 94 -12.023 -2.472 -8.734 683 HG3 LYS 94 2HG LYS 94 -13.702 -2.049 -8.394 684 HD2 LYS 94 1HD LYS 94 -14.007 -2.625 -10.950 685 HD3 LYS 94 2HD LYS 94 -12.544 -3.575 -10.677 686 HE2 LYS 94 1HE LYS 94 -14.280 -5.076 -10.259 687 HE3 LYS 94 2HE LYS 94 -13.783 -4.544 -8.655 688 HZ1 LYS 94 3HZ LYS 94 -16.002 -4.260 -8.445 689 HZ2 LYS 94 1HZ LYS 94 -16.259 -4.020 -10.100 690 HZ3 LYS 94 2HZ LYS 94 -15.658 -2.760 -9.146 691 H THR 95 H THR 95 -12.544 -1.072 -6.718 692 HA THR 95 HA THR 95 -14.868 0.444 -5.912 693 HB THR 95 HB THR 95 -15.066 -1.133 -4.077 694 HG1 THR 95 1HG THR 95 -13.344 -2.104 -3.343 695 HG21 THR 95 3HG2 THR 95 -14.424 -3.226 -5.880 696 HG22 THR 95 1HG2 THR 95 -15.002 -1.860 -6.832 697 HG23 THR 95 2HG2 THR 95 -16.005 -2.522 -5.542 698 H GLY 96 H GLY 96 -11.616 -0.179 -4.606 699 HA2 GLY 96 1HA GLY 96 -10.293 1.457 -3.525 700 HA3 GLY 96 2HA GLY 96 -11.744 2.404 -3.234 701 H ILE 97 H ILE 97 -9.912 2.024 -1.228 702 HA ILE 97 HA ILE 97 -11.181 0.021 0.519 703 HB ILE 97 HB ILE 97 -8.482 1.330 0.867 704 HG12 ILE 97 1HG1 ILE 97 -8.838 -1.565 0.224 705 HG13 ILE 97 2HG1 ILE 97 -8.955 -0.395 -1.085 706 HG21 ILE 97 1HG2 ILE 97 -9.834 0.469 2.889 707 HG22 ILE 97 2HG2 ILE 97 -9.446 -1.134 2.265 708 HG23 ILE 97 3HG2 ILE 97 -8.150 -0.028 2.722 709 HD11 ILE 97 3HD1 ILE 97 -6.612 -1.161 0.574 710 HD12 ILE 97 1HD1 ILE 97 -6.738 -0.931 -1.169 711 HD13 ILE 97 2HD1 ILE 97 -6.691 0.469 -0.097 712 H GLU 98 H GLU 98 -11.948 0.598 2.522 713 HA GLU 98 HA GLU 98 -12.035 3.490 3.081 714 HB2 GLU 98 1HB GLU 98 -14.243 2.832 2.551 715 HB3 GLU 98 2HB GLU 98 -14.107 1.343 3.476 716 HG2 GLU 98 1HG GLU 98 -14.264 2.477 5.528 717 HG3 GLU 98 2HG GLU 98 -13.983 4.045 4.772 718 H GLU 99 H GLU 99 -10.229 3.518 4.416 719 HA GLU 99 HA GLU 99 -9.621 1.722 6.449 720 HB2 GLU 99 1HB GLU 99 -9.072 4.694 6.478 721 HB3 GLU 99 2HB GLU 99 -8.204 3.457 7.377 722 HG2 GLU 99 1HG GLU 99 -7.248 2.564 5.406 723 HG3 GLU 99 2HG GLU 99 -8.318 3.515 4.377 724 H ALA 100 H ALA 100 -9.810 1.947 8.767 725 HA ALA 100 HA ALA 100 -12.422 2.278 9.661 726 HB1 ALA 100 1HB ALA 100 -10.649 2.714 11.845 727 HB2 ALA 100 2HB ALA 100 -11.564 1.262 11.434 728 HB3 ALA 100 3HB ALA 100 -9.945 1.499 10.777 729 H SER 101 H SER 101 -9.649 4.407 10.389 730 HA SER 101 HA SER 101 -10.762 6.415 11.758 731 HB2 SER 101 1HB SER 101 -8.698 6.404 9.608 732 HB3 SER 101 2HB SER 101 -9.307 7.969 10.149 733 HG SER 101 HG SER 101 -7.655 6.198 11.421 734 H GLY 102 H GLY 102 -11.220 5.854 8.308 735 HA2 GLY 102 1HA GLY 102 -13.521 6.440 7.534 736 HA3 GLY 102 2HA GLY 102 -13.260 7.993 8.315 737 H ALA 103 H ALA 103 -10.675 6.426 6.601 738 HA ALA 103 HA ALA 103 -10.794 8.559 4.584 739 HB1 ALA 103 1HB ALA 103 -8.708 8.746 5.502 740 HB2 ALA 103 2HB ALA 103 -8.569 7.016 5.819 741 HB3 ALA 103 3HB ALA 103 -8.364 7.633 4.178 742 H PHE 104 H PHE 104 -10.516 8.092 2.380 743 HA PHE 104 HA PHE 104 -11.080 5.292 1.657 744 HB2 PHE 104 1HB PHE 104 -12.192 7.870 0.688 745 HB3 PHE 104 2HB PHE 104 -11.935 6.614 -0.518 746 HD1 PHE 104 2HD PHE 104 -13.121 4.460 -0.331 747 HD2 PHE 104 1HD PHE 104 -13.934 7.712 2.291 748 HE1 PHE 104 2HE PHE 104 -15.239 3.395 0.327 749 HE2 PHE 104 1HE PHE 104 -16.053 6.652 2.955 750 HZ PHE 104 HZ PHE 104 -16.708 4.491 1.971 751 H VAL 105 H VAL 105 -9.197 4.429 1.028 752 HA VAL 105 HA VAL 105 -7.221 5.981 -0.400 753 HB VAL 105 HB VAL 105 -7.241 3.042 0.302 754 HG11 VAL 105 1HG1 VAL 105 -4.963 4.786 -0.633 755 HG12 VAL 105 2HG1 VAL 105 -4.869 3.076 -0.205 756 HG13 VAL 105 3HG1 VAL 105 -5.797 3.584 -1.617 757 HG21 VAL 105 3HG2 VAL 105 -5.728 3.657 2.108 758 HG22 VAL 105 1HG2 VAL 105 -5.845 5.355 1.645 759 HG23 VAL 105 2HG2 VAL 105 -7.262 4.511 2.268 760 H TYR 106 H TYR 106 -6.870 6.005 -2.536 761 HA TYR 106 HA TYR 106 -8.447 4.153 -4.202 762 HB2 TYR 106 1HB TYR 106 -7.575 6.973 -4.860 763 HB3 TYR 106 2HB TYR 106 -8.498 5.910 -5.917 764 HD1 TYR 106 1HD TYR 106 -10.281 4.760 -3.688 765 HD2 TYR 106 2HD TYR 106 -9.185 8.734 -4.738 766 HE1 TYR 106 1HE TYR 106 -12.374 5.591 -2.701 767 HE2 TYR 106 2HE TYR 106 -11.274 9.577 -3.754 768 HH TYR 106 HH TYR 106 -13.866 7.645 -3.012 769 H LEU 107 H LEU 107 -7.444 3.066 -5.826 770 HA LEU 107 HA LEU 107 -4.536 3.468 -6.080 771 HB2 LEU 107 1HB LEU 107 -5.980 0.906 -6.680 772 HB3 LEU 107 2HB LEU 107 -4.253 1.157 -6.428 773 HG LEU 107 HG LEU 107 -5.115 1.874 -4.011 774 HD11 LEU 107 1HD1 LEU 107 -7.184 -0.077 -5.008 775 HD12 LEU 107 2HD1 LEU 107 -7.462 1.576 -4.459 776 HD13 LEU 107 3HD1 LEU 107 -6.926 0.346 -3.315 777 HD21 LEU 107 3HD2 LEU 107 -3.945 -0.424 -5.198 778 HD22 LEU 107 1HD2 LEU 107 -5.083 -0.963 -3.964 779 HD23 LEU 107 2HD2 LEU 107 -3.790 0.160 -3.541 780 H ARG 108 H ARG 108 -4.458 4.800 -7.837 781 HA ARG 108 HA ARG 108 -5.962 4.106 -10.235 782 HB2 ARG 108 1HB ARG 108 -4.107 6.437 -9.712 783 HB3 ARG 108 2HB ARG 108 -5.137 6.234 -11.123 784 HG2 ARG 108 1HG ARG 108 -7.052 6.117 -9.357 785 HG3 ARG 108 2HG ARG 108 -5.876 6.932 -8.323 786 HD2 ARG 108 1HD ARG 108 -7.248 7.896 -10.779 787 HD3 ARG 108 2HD ARG 108 -6.920 8.739 -9.266 788 HE ARG 108 HE ARG 108 -4.457 8.338 -10.370 789 HH11 ARG 108 2HH1 ARG 108 -7.415 9.836 -11.430 790 HH12 ARG 108 1HH1 ARG 108 -6.619 10.988 -12.450 791 HH21 ARG 108 2HH2 ARG 108 -3.398 9.848 -11.711 792 HH22 ARG 108 1HH2 ARG 108 -4.334 10.994 -12.610 793 H GLN 109 H GLN 109 -2.579 4.601 -9.257 794 HA GLN 109 HA GLN 109 -1.763 2.690 -11.312 795 HB2 GLN 109 1HB GLN 109 -0.046 4.103 -12.200 796 HB3 GLN 109 2HB GLN 109 -1.560 4.996 -12.263 797 HG2 GLN 109 1HG GLN 109 0.327 5.324 -9.966 798 HG3 GLN 109 2HG GLN 109 0.560 6.206 -11.474 799 HE21 GLN 109 1HE2 GLN 109 -0.137 7.080 -8.719 800 HE22 GLN 109 2HE2 GLN 109 -1.575 8.023 -8.898 801 HA PRO 110 HA PRO 110 0.799 1.188 -8.065 802 HB2 PRO 110 1HB PRO 110 2.607 -0.194 -9.546 803 HB3 PRO 110 2HB PRO 110 0.950 -0.752 -9.285 804 HG2 PRO 110 1HG PRO 110 2.121 0.669 -11.645 805 HG3 PRO 110 2HG PRO 110 1.002 -0.707 -11.610 806 HD2 PRO 110 1HD PRO 110 0.176 1.831 -12.065 807 HD3 PRO 110 2HD PRO 110 -0.833 0.635 -11.228 808 H TYR 111 H TYR 111 3.467 0.722 -8.080 809 HA TYR 111 HA TYR 111 4.786 3.212 -8.871 810 HB2 TYR 111 1HB TYR 111 4.083 3.619 -6.585 811 HB3 TYR 111 2HB TYR 111 4.779 2.090 -6.063 812 HD1 TYR 111 1HD TYR 111 5.544 5.508 -7.194 813 HD2 TYR 111 2HD TYR 111 7.136 1.871 -5.661 814 HE1 TYR 111 1HE TYR 111 7.670 6.648 -6.716 815 HE2 TYR 111 2HE TYR 111 9.267 3.002 -5.178 816 HH TYR 111 HH TYR 111 10.293 5.617 -6.462 817 H TYR 112 H TYR 112 6.573 2.721 -9.939 818 HA TYR 112 HA TYR 112 7.859 0.129 -9.439 819 HB2 TYR 112 1HB TYR 112 8.365 1.947 -11.790 820 HB3 TYR 112 2HB TYR 112 8.738 0.233 -11.644 821 HD1 TYR 112 1HD TYR 112 6.445 -1.154 -10.945 822 HD2 TYR 112 2HD TYR 112 6.668 2.402 -13.270 823 HE1 TYR 112 1HE TYR 112 4.294 -1.714 -11.997 824 HE2 TYR 112 2HE TYR 112 4.516 1.852 -14.328 825 HH TYR 112 HH TYR 112 2.550 -0.812 -13.217 826 H SER 113 H SER 113 10.077 -0.034 -9.106 827 HA SER 113 HA SER 113 11.435 2.494 -8.434 828 HB2 SER 113 1HB SER 113 10.773 0.941 -6.495 829 HB3 SER 113 2HB SER 113 12.032 -0.139 -7.094 830 HG SER 113 HG SER 113 13.367 1.070 -6.032 831 H GLY 114 H GLY 114 13.900 2.158 -8.329 832 HA2 GLY 114 1HA GLY 114 15.713 0.705 -9.236 833 HA3 GLY 114 2HA GLY 114 14.701 0.528 -10.662 834 HA PRO 115 HA PRO 115 16.873 3.881 -12.484 835 HB2 PRO 115 1HB PRO 115 15.022 4.688 -14.298 836 HB3 PRO 115 2HB PRO 115 15.960 3.200 -14.479 837 HG2 PRO 115 1HG PRO 115 13.164 3.567 -13.475 838 HG3 PRO 115 2HG PRO 115 13.803 2.335 -14.578 839 HD2 PRO 115 1HD PRO 115 13.355 1.847 -11.954 840 HD3 PRO 115 2HD PRO 115 14.664 1.062 -12.860 841 H SER 116 H SER 116 13.850 4.301 -10.879 842 HA SER 116 HA SER 116 13.513 7.082 -11.207 843 HB2 SER 116 1HB SER 116 11.960 6.948 -9.357 844 HB3 SER 116 2HB SER 116 11.759 5.512 -10.359 845 HG SER 116 HG SER 116 12.027 4.506 -8.531 846 H SER 117 H SER 117 15.025 8.522 -10.696 847 HA SER 117 HA SER 117 16.694 9.614 -9.589 848 HB2 SER 117 1HB SER 117 14.565 9.686 -8.018 849 HB3 SER 117 2HB SER 117 15.579 8.690 -6.973 850 HG SER 117 HG SER 117 15.996 10.785 -6.429 851 H GLY 118 H GLY 118 17.678 7.311 -10.470 852 HA2 GLY 118 1HA GLY 118 19.661 6.667 -8.469 853 HA3 GLY 118 2HA GLY 118 18.604 5.325 -8.884 854 H1 MET 1 H MET 1 19.685 -0.094 19.378 855 HA MET 1 HA MET 1 18.418 1.462 18.296 856 HB2 MET 1 1HB MET 1 19.567 2.698 16.520 857 HB3 MET 1 2HB MET 1 20.649 2.372 17.867 858 HG2 MET 1 1HG MET 1 20.576 0.556 15.493 859 HG3 MET 1 2HG MET 1 21.504 2.054 15.461 860 HE1 MET 1 3HE MET 1 24.253 1.957 17.383 861 HE2 MET 1 1HE MET 1 24.580 0.915 15.998 862 HE3 MET 1 2HE MET 1 23.482 2.285 15.830 863 H ASP 2 H ASP 2 17.666 -1.163 17.707 864 HA ASP 2 HA ASP 2 17.367 -1.603 14.915 865 HB2 ASP 2 1HB ASP 2 17.258 -3.400 16.639 866 HB3 ASP 2 2HB ASP 2 15.711 -2.748 17.173 867 H ASN 3 H ASN 3 15.349 -1.610 13.723 868 HA ASN 3 HA ASN 3 13.652 0.660 14.491 869 HB2 ASN 3 1HB ASN 3 14.825 0.816 12.313 870 HB3 ASN 3 2HB ASN 3 13.987 -0.638 11.778 871 HD21 ASN 3 1HD2 ASN 3 12.693 0.084 10.221 872 HD22 ASN 3 2HD2 ASN 3 11.519 1.339 10.402 873 H GLN 4 H GLN 4 11.509 0.434 14.818 874 HA GLN 4 HA GLN 4 10.455 -2.239 15.048 875 HB2 GLN 4 1HB GLN 4 9.538 0.497 15.805 876 HB3 GLN 4 2HB GLN 4 8.327 -0.770 15.647 877 HG2 GLN 4 1HG GLN 4 8.838 -0.919 17.869 878 HG3 GLN 4 2HG GLN 4 9.940 -2.114 17.188 879 HE21 GLN 4 1HE2 GLN 4 10.072 -0.501 19.661 880 HE22 GLN 4 2HE2 GLN 4 11.590 0.320 19.591 881 H GLY 5 H GLY 5 9.385 0.699 13.319 882 HA2 GLY 5 1HA GLY 5 9.020 0.069 10.828 883 HA3 GLY 5 2HA GLY 5 7.827 -1.022 11.517 884 H VAL 6 H VAL 6 6.552 0.382 9.919 885 HA VAL 6 HA VAL 6 5.704 2.904 11.160 886 HB VAL 6 HB VAL 6 4.489 3.268 8.984 887 HG11 VAL 6 1HG1 VAL 6 6.626 4.332 9.440 888 HG12 VAL 6 2HG1 VAL 6 7.481 2.903 8.855 889 HG13 VAL 6 3HG1 VAL 6 6.517 3.873 7.741 890 HG21 VAL 6 3HG2 VAL 6 6.100 0.865 8.127 891 HG22 VAL 6 1HG2 VAL 6 4.345 0.937 8.278 892 HG23 VAL 6 2HG2 VAL 6 5.166 1.914 7.060 893 H ILE 7 H ILE 7 3.448 3.382 11.364 894 HA ILE 7 HA ILE 7 1.937 1.198 12.396 895 HB ILE 7 HB ILE 7 0.936 3.978 11.784 896 HG12 ILE 7 1HG1 ILE 7 3.022 3.870 13.228 897 HG13 ILE 7 2HG1 ILE 7 1.626 4.657 13.956 898 HG21 ILE 7 1HG2 ILE 7 -0.939 2.709 12.255 899 HG22 ILE 7 2HG2 ILE 7 -0.084 1.688 13.410 900 HG23 ILE 7 3HG2 ILE 7 -0.509 3.344 13.843 901 HD11 ILE 7 3HD1 ILE 7 1.506 1.911 14.620 902 HD12 ILE 7 1HD1 ILE 7 3.146 2.477 14.933 903 HD13 ILE 7 2HD1 ILE 7 1.774 3.293 15.683 904 H PTR 8 H PTR 8 -0.075 0.401 11.663 905 HA PTR 8 HA PTR 8 -0.477 0.698 8.759 906 HB2 PTR 8 2HB PTR 8 -0.803 -1.663 10.593 907 HB3 PTR 8 3HB PTR 8 -1.643 -1.596 9.048 908 HD1 PTR 8 1HD PTR 8 1.818 -0.661 10.115 909 HD2 PTR 8 2HD PTR 8 -0.622 -3.001 7.532 910 HE1 PTR 8 1HE PTR 8 3.834 -1.510 8.990 911 HE2 PTR 8 2HE PTR 8 1.387 -3.857 6.401 912 H SER 9 H SER 9 -2.377 1.432 8.050 913 HA SER 9 HA SER 9 -4.385 2.207 9.978 914 HB2 SER 9 1HB SER 9 -4.299 2.549 6.970 915 HB3 SER 9 2HB SER 9 -5.495 3.275 8.042 916 HG SER 9 HG SER 9 -4.115 4.830 8.268 917 H ASP 10 H ASP 10 -5.886 0.831 10.636 918 HA ASP 10 HA ASP 10 -6.512 -1.578 9.258 919 HB2 ASP 10 1HB ASP 10 -7.420 -0.226 11.741 920 HB3 ASP 10 2HB ASP 10 -8.525 -1.397 11.028 921 H LEU 11 H LEU 11 -9.081 -2.035 9.160 922 HA LEU 11 HA LEU 11 -10.092 -0.054 7.244 923 HB2 LEU 11 1HB LEU 11 -10.394 -2.996 7.550 924 HB3 LEU 11 2HB LEU 11 -11.722 -2.097 6.820 925 HG LEU 11 HG LEU 11 -10.359 -2.985 5.071 926 HD11 LEU 11 1HD1 LEU 11 -9.251 -0.363 4.734 927 HD12 LEU 11 2HD1 LEU 11 -10.877 -0.252 5.404 928 HD13 LEU 11 3HD1 LEU 11 -10.603 -1.123 3.895 929 HD21 LEU 11 3HD2 LEU 11 -7.908 -1.840 5.101 930 HD22 LEU 11 1HD2 LEU 11 -8.253 -3.464 5.695 931 HD23 LEU 11 2HD2 LEU 11 -8.167 -2.112 6.824 932 H ASN 12 H ASN 12 -12.716 -0.503 7.152 933 HA ASN 12 HA ASN 12 -13.649 0.684 9.598 934 HB2 ASN 12 1HB ASN 12 -15.631 1.152 8.456 935 HB3 ASN 12 2HB ASN 12 -14.427 1.178 7.170 936 HD21 ASN 12 1HD2 ASN 12 -14.177 -0.809 5.915 937 HD22 ASN 12 2HD2 ASN 12 -15.574 -1.781 5.619 938 H LEU 13 H LEU 13 -14.513 -2.273 7.800 939 HA LEU 13 HA LEU 13 -16.327 -3.409 9.471 940 HB2 LEU 13 1HB LEU 13 -14.188 -5.214 8.496 941 HB3 LEU 13 2HB LEU 13 -15.939 -5.386 8.407 942 HG LEU 13 HG LEU 13 -15.676 -3.397 6.673 943 HD11 LEU 13 1HD1 LEU 13 -13.679 -3.348 5.486 944 HD12 LEU 13 2HD1 LEU 13 -13.123 -4.877 6.166 945 HD13 LEU 13 3HD1 LEU 13 -13.153 -3.427 7.168 946 HD21 LEU 13 3HD2 LEU 13 -16.575 -5.752 6.370 947 HD22 LEU 13 1HD2 LEU 13 -14.951 -6.193 5.838 948 HD23 LEU 13 2HD2 LEU 13 -15.875 -4.984 4.943 949 HA PRO 14 HA PRO 14 -12.775 -5.266 12.202 950 HB2 PRO 14 1HB PRO 14 -10.338 -4.092 11.967 951 HB3 PRO 14 2HB PRO 14 -10.835 -5.477 10.988 952 HG2 PRO 14 1HG PRO 14 -10.807 -2.568 10.280 953 HG3 PRO 14 2HG PRO 14 -10.302 -3.962 9.307 954 HD2 PRO 14 1HD PRO 14 -12.697 -2.742 8.973 955 HD3 PRO 14 2HD PRO 14 -12.464 -4.481 8.700 956 HA PRO 15 HA PRO 15 -13.099 -2.213 15.351 957 HB2 PRO 15 1HB PRO 15 -11.218 -3.035 17.127 958 HB3 PRO 15 2HB PRO 15 -12.742 -3.894 16.875 959 HG2 PRO 15 1HG PRO 15 -10.023 -4.493 15.773 960 HG3 PRO 15 2HG PRO 15 -11.231 -5.608 16.437 961 HD2 PRO 15 1HD PRO 15 -10.870 -5.269 13.775 962 HD3 PRO 15 2HD PRO 15 -12.454 -5.648 14.483 Start of MODEL 10 1 H1 GLY 1 H GLY 1 10.721 -7.081 -25.006 2 HA2 GLY 1 1HA GLY 1 12.507 -9.375 -25.293 3 HA3 GLY 1 2HA GLY 1 12.708 -8.387 -23.853 4 H SER 2 H SER 2 12.217 -10.556 -22.876 5 HA SER 2 HA SER 2 9.440 -11.380 -22.975 6 HB2 SER 2 1HB SER 2 10.097 -13.259 -21.683 7 HB3 SER 2 2HB SER 2 11.435 -12.967 -22.793 8 HG SER 2 HG SER 2 11.387 -12.872 -20.076 9 H SER 3 H SER 3 8.227 -11.724 -20.935 10 HA SER 3 HA SER 3 8.930 -9.987 -18.716 11 HB2 SER 3 1HB SER 3 6.441 -9.546 -20.380 12 HB3 SER 3 2HB SER 3 6.717 -8.821 -18.797 13 HG SER 3 HG SER 3 8.373 -8.479 -21.079 14 H GLY 4 H GLY 4 8.694 -11.297 -17.032 15 HA2 GLY 4 1HA GLY 4 6.573 -13.325 -17.080 16 HA3 GLY 4 2HA GLY 4 7.962 -13.312 -16.003 17 H SER 5 H SER 5 6.489 -13.694 -14.258 18 HA SER 5 HA SER 5 4.354 -11.997 -13.596 19 HB2 SER 5 1HB SER 5 6.096 -13.754 -11.855 20 HB3 SER 5 2HB SER 5 4.643 -12.938 -11.278 21 HG SER 5 HG SER 5 3.503 -14.453 -12.164 22 H SER 6 H SER 6 4.640 -9.855 -13.467 23 HA SER 6 HA SER 6 6.039 -8.730 -11.277 24 HB2 SER 6 1HB SER 6 7.662 -7.363 -12.630 25 HB3 SER 6 2HB SER 6 8.035 -9.086 -12.573 26 HG SER 6 HG SER 6 7.805 -7.657 -14.708 27 H GLY 7 H GLY 7 5.566 -6.531 -10.973 28 HA2 GLY 7 1HA GLY 7 4.348 -4.885 -12.924 29 HA3 GLY 7 2HA GLY 7 3.105 -5.646 -11.941 30 H TRP 8 H TRP 8 3.160 -5.276 -9.626 31 HA TRP 8 HA TRP 8 4.469 -2.724 -8.943 32 HB2 TRP 8 1HB TRP 8 2.402 -2.746 -7.227 33 HB3 TRP 8 2HB TRP 8 2.303 -2.028 -8.832 34 HD1 TRP 8 HD TRP 8 0.132 -2.675 -9.996 35 HE1 TRP 8 1HE TRP 8 -1.393 -4.746 -10.061 36 HE3 TRP 8 3HE TRP 8 2.731 -5.696 -6.794 37 HZ2 TRP 8 2HZ TRP 8 -1.483 -7.321 -8.907 38 HZ3 TRP 8 3HZ TRP 8 1.857 -7.949 -6.328 39 HH2 TRP 8 HH TRP 8 -0.207 -8.742 -7.363 40 H TYR 9 H TYR 9 5.426 -5.485 -8.556 41 HA TYR 9 HA TYR 9 5.382 -5.678 -5.625 42 HB2 TYR 9 1HB TYR 9 4.818 -7.657 -7.245 43 HB3 TYR 9 2HB TYR 9 6.566 -7.783 -7.401 44 HD1 TYR 9 1HD TYR 9 3.752 -7.983 -5.018 45 HD2 TYR 9 2HD TYR 9 7.896 -8.710 -5.659 46 HE1 TYR 9 1HE TYR 9 3.838 -9.294 -2.937 47 HE2 TYR 9 2HE TYR 9 7.992 -10.024 -3.580 48 HH TYR 9 HH TYR 9 5.228 -11.076 -1.940 49 H HIS 10 H HIS 10 7.091 -5.018 -4.517 50 HA HIS 10 HA HIS 10 9.591 -4.489 -5.947 51 HB2 HIS 10 1HB HIS 10 8.607 -3.581 -3.236 52 HB3 HIS 10 2HB HIS 10 10.192 -3.188 -3.895 53 HD1 HIS 10 1HD HIS 10 10.299 -1.020 -5.067 54 HD2 HIS 10 2HD HIS 10 6.452 -2.590 -5.079 55 HE1 HIS 10 1HE HIS 10 8.867 0.719 -6.185 56 HE2 HIS 10 2HE HIS 10 6.530 -0.216 -6.104 57 H GLY 11 H GLY 11 8.848 -5.527 -2.614 58 HA2 GLY 11 1HA GLY 11 9.504 -7.814 -1.949 59 HA3 GLY 11 2HA GLY 11 10.950 -7.583 -2.919 60 H HIS 12 H HIS 12 12.714 -7.198 -1.774 61 HA HIS 12 HA HIS 12 12.804 -6.803 0.963 62 HB2 HIS 12 1HB HIS 12 15.158 -6.116 0.626 63 HB3 HIS 12 2HB HIS 12 14.744 -7.562 -0.289 64 HD1 HIS 12 1HD HIS 12 14.245 -7.120 -2.915 65 HD2 HIS 12 2HD HIS 12 16.229 -4.102 -0.861 66 HE1 HIS 12 1HE HIS 12 15.291 -5.676 -4.688 67 HE2 HIS 12 2HE HIS 12 16.557 -3.906 -3.419 68 H MET 13 H MET 13 11.260 -5.183 1.471 69 HA MET 13 HA MET 13 12.360 -2.480 1.271 70 HB2 MET 13 1HB MET 13 10.538 -2.979 -0.500 71 HB3 MET 13 2HB MET 13 9.418 -2.926 0.854 72 HG2 MET 13 1HG MET 13 9.296 -0.767 0.153 73 HG3 MET 13 2HG MET 13 10.603 -0.634 1.328 74 HE1 MET 13 3HE MET 13 10.986 -0.741 -3.225 75 HE2 MET 13 1HE MET 13 9.724 -1.466 -2.228 76 HE3 MET 13 2HE MET 13 9.754 0.279 -2.481 77 H SER 14 H SER 14 11.924 -1.164 3.018 78 HA SER 14 HA SER 14 10.609 -2.496 5.291 79 HB2 SER 14 1HB SER 14 12.978 -0.695 5.076 80 HB3 SER 14 2HB SER 14 11.994 -0.597 6.537 81 HG SER 14 HG SER 14 12.601 -2.566 7.099 82 H GLY 15 H GLY 15 9.452 -1.109 6.813 83 HA2 GLY 15 1HA GLY 15 7.430 0.366 5.696 84 HA3 GLY 15 2HA GLY 15 7.967 0.562 7.358 85 H GLY 16 H GLY 16 9.877 2.015 7.677 86 HA2 GLY 16 1HA GLY 16 9.435 4.579 6.971 87 HA3 GLY 16 2HA GLY 16 11.057 3.965 7.260 88 H GLN 17 H GLN 17 11.041 2.185 4.964 89 HA GLN 17 HA GLN 17 12.043 3.982 3.024 90 HB2 GLN 17 1HB GLN 17 12.544 1.435 3.468 91 HB3 GLN 17 2HB GLN 17 11.251 1.192 2.301 92 HG2 GLN 17 1HG GLN 17 12.453 2.136 0.571 93 HG3 GLN 17 2HG GLN 17 13.518 3.025 1.660 94 HE21 GLN 17 1HE2 GLN 17 14.253 1.326 -0.541 95 HE22 GLN 17 2HE2 GLN 17 15.218 0.050 0.112 96 H ALA 18 H ALA 18 9.330 1.689 2.687 97 HA ALA 18 HA ALA 18 8.211 2.406 0.374 98 HB1 ALA 18 1HB ALA 18 6.516 1.162 1.090 99 HB2 ALA 18 2HB ALA 18 7.290 1.121 2.675 100 HB3 ALA 18 3HB ALA 18 6.083 2.355 2.314 101 H GLU 19 H GLU 19 7.643 4.186 3.407 102 HA GLU 19 HA GLU 19 5.944 6.146 2.428 103 HB2 GLU 19 1HB GLU 19 7.826 5.952 4.718 104 HB3 GLU 19 2HB GLU 19 7.266 7.560 4.283 105 HG2 GLU 19 1HG GLU 19 4.912 6.402 4.320 106 HG3 GLU 19 2HG GLU 19 5.742 5.248 5.361 107 H THR 20 H THR 20 9.494 6.198 2.621 108 HA THR 20 HA THR 20 9.915 8.745 1.581 109 HB THR 20 HB THR 20 11.678 6.314 1.214 110 HG1 THR 20 1HG THR 20 12.748 7.487 3.079 111 HG21 THR 20 3HG2 THR 20 12.177 9.266 0.900 112 HG22 THR 20 1HG2 THR 20 12.450 7.981 -0.276 113 HG23 THR 20 2HG2 THR 20 13.480 8.105 1.150 114 H LEU 21 H LEU 21 9.900 5.629 -0.153 115 HA LEU 21 HA LEU 21 10.312 6.626 -2.718 116 HB2 LEU 21 1HB LEU 21 8.680 4.229 -1.897 117 HB3 LEU 21 2HB LEU 21 9.301 4.542 -3.516 118 HG LEU 21 HG LEU 21 11.612 4.571 -2.180 119 HD11 LEU 21 1HD1 LEU 21 9.718 3.543 -0.287 120 HD12 LEU 21 2HD1 LEU 21 11.442 3.860 -0.087 121 HD13 LEU 21 3HD1 LEU 21 10.898 2.299 -0.703 122 HD21 LEU 21 3HD2 LEU 21 11.775 2.120 -2.744 123 HD22 LEU 21 1HD2 LEU 21 11.276 3.177 -4.064 124 HD23 LEU 21 2HD2 LEU 21 10.077 2.198 -3.217 125 H LEU 22 H LEU 22 7.189 5.698 -1.259 126 HA LEU 22 HA LEU 22 5.541 6.616 -3.288 127 HB2 LEU 22 1HB LEU 22 5.136 6.341 -0.329 128 HB3 LEU 22 2HB LEU 22 3.851 6.936 -1.379 129 HG LEU 22 HG LEU 22 5.184 4.248 -1.687 130 HD11 LEU 22 1HD1 LEU 22 2.832 3.521 -0.861 131 HD12 LEU 22 2HD1 LEU 22 2.792 5.124 -0.129 132 HD13 LEU 22 3HD1 LEU 22 4.064 3.986 0.312 133 HD21 LEU 22 3HD2 LEU 22 2.747 4.095 -2.864 134 HD22 LEU 22 1HD2 LEU 22 4.247 4.458 -3.717 135 HD23 LEU 22 2HD2 LEU 22 3.185 5.770 -3.207 136 H GLN 23 H GLN 23 6.232 8.343 -0.239 137 HA GLN 23 HA GLN 23 5.037 10.741 -0.825 138 HB2 GLN 23 1HB GLN 23 7.484 10.092 0.796 139 HB3 GLN 23 2HB GLN 23 6.895 11.742 0.656 140 HG2 GLN 23 1HG GLN 23 4.748 11.062 1.593 141 HG3 GLN 23 2HG GLN 23 5.332 9.404 1.726 142 HE21 GLN 23 1HE2 GLN 23 4.366 10.953 3.869 143 HE22 GLN 23 2HE2 GLN 23 5.665 11.202 4.980 144 H ALA 24 H ALA 24 8.420 9.856 -1.495 145 HA ALA 24 HA ALA 24 9.264 12.197 -2.690 146 HB1 ALA 24 1HB ALA 24 10.054 9.393 -3.471 147 HB2 ALA 24 2HB ALA 24 10.964 10.866 -3.811 148 HB3 ALA 24 3HB ALA 24 10.750 10.325 -2.145 149 H LYS 25 H LYS 25 7.423 9.536 -4.086 150 HA LYS 25 HA LYS 25 7.567 10.256 -6.779 151 HB2 LYS 25 1HB LYS 25 6.622 8.122 -5.851 152 HB3 LYS 25 2HB LYS 25 5.180 9.021 -5.397 153 HG2 LYS 25 1HG LYS 25 4.519 8.146 -7.398 154 HG3 LYS 25 2HG LYS 25 5.178 9.693 -7.930 155 HD2 LYS 25 1HD LYS 25 7.404 8.295 -8.119 156 HD3 LYS 25 2HD LYS 25 6.278 6.942 -8.250 157 HE2 LYS 25 1HE LYS 25 5.324 7.774 -10.211 158 HE3 LYS 25 2HE LYS 25 5.950 9.399 -9.936 159 HZ1 LYS 25 3HZ LYS 25 7.063 7.819 -11.666 160 HZ2 LYS 25 1HZ LYS 25 7.854 7.199 -10.304 161 HZ3 LYS 25 2HZ LYS 25 8.012 8.835 -10.702 162 H GLY 26 H GLY 26 5.317 11.299 -4.247 163 HA2 GLY 26 1HA GLY 26 4.059 13.225 -4.100 164 HA3 GLY 26 2HA GLY 26 4.869 13.803 -5.549 165 H GLU 27 H GLU 27 3.579 10.777 -6.121 166 HA GLU 27 HA GLU 27 1.366 11.966 -7.615 167 HB2 GLU 27 1HB GLU 27 2.937 9.443 -7.820 168 HB3 GLU 27 2HB GLU 27 1.280 9.427 -8.409 169 HG2 GLU 27 1HG GLU 27 3.128 11.597 -9.283 170 HG3 GLU 27 2HG GLU 27 3.249 9.997 -10.013 171 HA PRO 28 HA PRO 28 -1.419 10.617 -4.410 172 HB2 PRO 28 1HB PRO 28 -3.684 11.469 -5.641 173 HB3 PRO 28 2HB PRO 28 -2.573 12.563 -4.809 174 HG2 PRO 28 1HG PRO 28 -2.816 11.974 -7.734 175 HG3 PRO 28 2HG PRO 28 -2.592 13.535 -6.921 176 HD2 PRO 28 1HD PRO 28 -0.551 12.195 -8.091 177 HD3 PRO 28 2HD PRO 28 -0.326 13.213 -6.653 178 H TRP 29 H TRP 29 -2.634 8.817 -4.080 179 HA TRP 29 HA TRP 29 -3.748 6.868 -4.478 180 HB2 TRP 29 1HB TRP 29 -3.952 7.598 -7.393 181 HB3 TRP 29 2HB TRP 29 -5.039 6.598 -6.434 182 HD1 TRP 29 HD TRP 29 -5.358 9.623 -8.103 183 HE1 TRP 29 1HE TRP 29 -6.844 11.341 -6.894 184 HE3 TRP 29 3HE TRP 29 -5.323 7.571 -3.421 185 HZ2 TRP 29 2HZ TRP 29 -7.866 11.770 -4.297 186 HZ3 TRP 29 3HZ TRP 29 -6.579 8.698 -1.630 187 HH2 TRP 29 HH TRP 29 -7.824 10.754 -2.061 188 H THR 30 H THR 30 -0.869 7.140 -4.712 189 HA THR 30 HA THR 30 -0.137 5.247 -6.807 190 HB THR 30 HB THR 30 1.573 6.768 -4.830 191 HG1 THR 30 1HG THR 30 0.613 7.991 -6.569 192 HG21 THR 30 3HG2 THR 30 2.644 4.662 -5.380 193 HG22 THR 30 1HG2 THR 30 3.478 5.983 -6.199 194 HG23 THR 30 2HG2 THR 30 2.375 4.943 -7.099 195 H PHE 31 H PHE 31 -0.730 3.222 -6.235 196 HA PHE 31 HA PHE 31 -0.165 2.274 -3.530 197 HB2 PHE 31 1HB PHE 31 -1.602 0.445 -3.990 198 HB3 PHE 31 2HB PHE 31 -2.383 1.850 -4.709 199 HD1 PHE 31 1HD PHE 31 -2.238 2.199 -7.177 200 HD2 PHE 31 2HD PHE 31 -0.958 -1.400 -5.298 201 HE1 PHE 31 1HE PHE 31 -2.336 1.037 -9.343 202 HE2 PHE 31 2HE PHE 31 -1.054 -2.567 -7.462 203 HZ PHE 31 HZ PHE 31 -1.742 -1.349 -9.488 204 H LEU 32 H LEU 32 0.857 0.150 -3.247 205 HA LEU 32 HA LEU 32 2.395 -1.018 -5.339 206 HB2 LEU 32 1HB LEU 32 4.560 -0.362 -4.788 207 HB3 LEU 32 2HB LEU 32 3.631 1.135 -4.756 208 HG LEU 32 HG LEU 32 3.480 0.679 -2.200 209 HD11 LEU 32 1HD1 LEU 32 4.515 -1.144 -1.476 210 HD12 LEU 32 2HD1 LEU 32 6.044 -0.411 -1.958 211 HD13 LEU 32 3HD1 LEU 32 5.179 -1.464 -3.078 212 HD21 LEU 32 3HD2 LEU 32 5.583 1.894 -1.863 213 HD22 LEU 32 1HD2 LEU 32 4.645 2.567 -3.197 214 HD23 LEU 32 2HD2 LEU 32 6.046 1.548 -3.530 215 H VAL 33 H VAL 33 3.183 -3.016 -4.774 216 HA VAL 33 HA VAL 33 2.365 -3.986 -2.139 217 HB VAL 33 HB VAL 33 3.300 -5.596 -4.518 218 HG11 VAL 33 1HG1 VAL 33 3.472 -6.642 -2.247 219 HG12 VAL 33 2HG1 VAL 33 1.719 -6.488 -2.113 220 HG13 VAL 33 3HG1 VAL 33 2.423 -7.496 -3.378 221 HG21 VAL 33 3HG2 VAL 33 1.354 -4.730 -5.360 222 HG22 VAL 33 1HG2 VAL 33 0.715 -6.123 -4.488 223 HG23 VAL 33 2HG2 VAL 33 0.629 -4.516 -3.767 224 H ARG 34 H ARG 34 3.756 -4.736 -0.633 225 HA ARG 34 HA ARG 34 6.554 -5.176 -1.340 226 HB2 ARG 34 1HB ARG 34 7.322 -3.780 0.560 227 HB3 ARG 34 2HB ARG 34 6.533 -2.844 -0.703 228 HG2 ARG 34 1HG ARG 34 4.420 -3.050 0.725 229 HG3 ARG 34 2HG ARG 34 5.508 -3.558 2.018 230 HD2 ARG 34 1HD ARG 34 6.823 -1.393 1.301 231 HD3 ARG 34 2HD ARG 34 5.247 -0.912 0.674 232 HE ARG 34 HE ARG 34 4.620 -0.484 2.817 233 HH11 ARG 34 2HH1 ARG 34 7.205 -2.814 2.881 234 HH12 ARG 34 1HH1 ARG 34 7.293 -2.864 4.611 235 HH21 ARG 34 2HH2 ARG 34 4.724 -0.540 5.095 236 HH22 ARG 34 1HH2 ARG 34 5.881 -1.571 5.870 237 H GLU 35 H GLU 35 6.903 -7.182 -0.656 238 HA GLU 35 HA GLU 35 5.438 -8.667 1.117 239 HB2 GLU 35 1HB GLU 35 7.544 -9.225 -0.417 240 HB3 GLU 35 2HB GLU 35 8.384 -9.101 1.122 241 HG2 GLU 35 1HG GLU 35 6.395 -10.695 1.880 242 HG3 GLU 35 2HG GLU 35 6.447 -11.122 0.171 243 H SER 36 H SER 36 5.041 -8.529 3.215 244 HA SER 36 HA SER 36 6.150 -6.602 4.902 245 HB2 SER 36 1HB SER 36 3.960 -7.989 5.138 246 HB3 SER 36 2HB SER 36 4.981 -9.153 5.983 247 HG SER 36 HG SER 36 5.298 -7.744 7.585 248 H LEU 37 H LEU 37 7.557 -6.775 6.696 249 HA LEU 37 HA LEU 37 9.692 -8.718 6.281 250 HB2 LEU 37 1HB LEU 37 9.530 -6.281 8.048 251 HB3 LEU 37 2HB LEU 37 10.949 -7.314 7.883 252 HG LEU 37 HG LEU 37 9.781 -5.965 5.478 253 HD11 LEU 37 1HD1 LEU 37 11.445 -4.725 7.638 254 HD12 LEU 37 2HD1 LEU 37 10.022 -4.081 6.818 255 HD13 LEU 37 3HD1 LEU 37 11.564 -4.176 5.966 256 HD21 LEU 37 3HD2 LEU 37 12.309 -7.305 6.251 257 HD22 LEU 37 1HD2 LEU 37 12.420 -5.941 5.138 258 HD23 LEU 37 2HD2 LEU 37 11.427 -7.337 4.724 259 H SER 38 H SER 38 7.594 -7.550 8.898 260 HA SER 38 HA SER 38 8.512 -9.214 10.930 261 HB2 SER 38 1HB SER 38 6.917 -7.295 11.200 262 HB3 SER 38 2HB SER 38 5.645 -8.327 10.545 263 HG SER 38 HG SER 38 6.409 -8.164 13.038 264 H GLN 39 H GLN 39 5.520 -9.723 9.052 265 HA GLN 39 HA GLN 39 5.663 -12.573 9.670 266 HB2 GLN 39 1HB GLN 39 3.521 -10.707 8.784 267 HB3 GLN 39 2HB GLN 39 3.373 -12.395 8.319 268 HG2 GLN 39 1HG GLN 39 2.241 -11.642 10.476 269 HG3 GLN 39 2HG GLN 39 3.203 -13.118 10.519 270 HE21 GLN 39 1HE2 GLN 39 4.099 -13.234 12.451 271 HE22 GLN 39 2HE2 GLN 39 4.942 -11.959 13.255 272 HA PRO 40 HA PRO 40 7.545 -13.006 5.596 273 HB2 PRO 40 1HB PRO 40 8.307 -15.583 5.982 274 HB3 PRO 40 2HB PRO 40 9.215 -14.207 6.618 275 HG2 PRO 40 1HG PRO 40 7.259 -15.993 8.012 276 HG3 PRO 40 2HG PRO 40 8.819 -15.377 8.589 277 HD2 PRO 40 1HD PRO 40 6.456 -14.286 9.334 278 HD3 PRO 40 2HD PRO 40 7.938 -13.325 9.162 279 H GLY 41 H GLY 41 4.704 -14.110 6.837 280 HA2 GLY 41 1HA GLY 41 4.156 -15.806 4.480 281 HA3 GLY 41 2HA GLY 41 3.349 -15.990 6.031 282 H ASP 42 H ASP 42 3.299 -12.925 6.145 283 HA ASP 42 HA ASP 42 0.829 -12.662 4.582 284 HB2 ASP 42 1HB ASP 42 1.851 -11.328 7.070 285 HB3 ASP 42 2HB ASP 42 0.593 -10.562 6.103 286 H PHE 43 H PHE 43 0.408 -10.247 3.964 287 HA PHE 43 HA PHE 43 2.866 -9.098 2.828 288 HB2 PHE 43 1HB PHE 43 0.219 -9.288 1.380 289 HB3 PHE 43 2HB PHE 43 1.722 -8.630 0.741 290 HD1 PHE 43 1HD PHE 43 0.368 -11.779 2.206 291 HD2 PHE 43 2HD PHE 43 3.043 -9.976 -0.572 292 HE1 PHE 43 1HE PHE 43 0.972 -14.005 1.347 293 HE2 PHE 43 2HE PHE 43 3.650 -12.198 -1.434 294 HZ PHE 43 HZ PHE 43 2.614 -14.217 -0.476 295 H VAL 44 H VAL 44 2.099 -6.845 1.741 296 HA VAL 44 HA VAL 44 0.228 -5.444 3.477 297 HB VAL 44 HB VAL 44 3.125 -4.612 3.253 298 HG11 VAL 44 1HG1 VAL 44 0.743 -3.242 4.484 299 HG12 VAL 44 2HG1 VAL 44 2.413 -2.808 4.852 300 HG13 VAL 44 3HG1 VAL 44 1.798 -2.639 3.207 301 HG21 VAL 44 3HG2 VAL 44 1.526 -5.439 5.674 302 HG22 VAL 44 1HG2 VAL 44 2.693 -6.460 4.833 303 HG23 VAL 44 2HG2 VAL 44 3.230 -4.986 5.641 304 H LEU 45 H LEU 45 -0.519 -3.480 2.626 305 HA LEU 45 HA LEU 45 0.341 -2.883 -0.126 306 HB2 LEU 45 1HB LEU 45 -1.720 -3.979 -0.396 307 HB3 LEU 45 2HB LEU 45 -2.435 -3.148 0.985 308 HG LEU 45 HG LEU 45 -2.130 -1.016 -0.476 309 HD11 LEU 45 1HD1 LEU 45 -2.696 -2.219 -2.917 310 HD12 LEU 45 2HD1 LEU 45 -1.315 -3.115 -2.284 311 HD13 LEU 45 3HD1 LEU 45 -1.218 -1.364 -2.472 312 HD21 LEU 45 3HD2 LEU 45 -4.349 -1.162 -1.058 313 HD22 LEU 45 1HD2 LEU 45 -4.246 -2.395 0.200 314 HD23 LEU 45 2HD2 LEU 45 -4.235 -2.866 -1.500 315 H SER 46 H SER 46 1.169 -0.913 -0.226 316 HA SER 46 HA SER 46 0.214 1.126 1.667 317 HB2 SER 46 1HB SER 46 2.781 1.114 0.061 318 HB3 SER 46 2HB SER 46 2.336 2.261 1.325 319 HG SER 46 HG SER 46 2.631 -0.531 1.729 320 H VAL 47 H VAL 47 -0.299 3.207 0.948 321 HA VAL 47 HA VAL 47 -0.354 3.727 -1.915 322 HB VAL 47 HB VAL 47 -2.870 3.723 -0.243 323 HG11 VAL 47 1HG1 VAL 47 -2.265 4.818 -2.965 324 HG12 VAL 47 2HG1 VAL 47 -3.893 4.289 -2.538 325 HG13 VAL 47 3HG1 VAL 47 -3.117 5.582 -1.622 326 HG21 VAL 47 3HG2 VAL 47 -1.767 1.921 -2.340 327 HG22 VAL 47 1HG2 VAL 47 -2.670 1.531 -0.876 328 HG23 VAL 47 2HG2 VAL 47 -3.511 2.182 -2.285 329 H LEU 48 H LEU 48 -0.064 5.834 -2.377 330 HA LEU 48 HA LEU 48 0.264 7.668 -0.142 331 HB2 LEU 48 1HB LEU 48 1.946 7.396 -2.009 332 HB3 LEU 48 2HB LEU 48 0.784 8.207 -3.057 333 HG LEU 48 HG LEU 48 0.910 10.187 -1.544 334 HD11 LEU 48 1HD1 LEU 48 3.013 8.489 -0.238 335 HD12 LEU 48 2HD1 LEU 48 1.640 9.308 0.506 336 HD13 LEU 48 3HD1 LEU 48 3.003 10.248 -0.102 337 HD21 LEU 48 3HD2 LEU 48 2.157 10.518 -3.439 338 HD22 LEU 48 1HD2 LEU 48 3.216 9.146 -3.115 339 HD23 LEU 48 2HD2 LEU 48 3.411 10.644 -2.205 340 H SER 49 H SER 49 -1.732 8.335 0.507 341 HA SER 49 HA SER 49 -3.912 8.914 -1.144 342 HB2 SER 49 1HB SER 49 -4.757 10.234 0.822 343 HB3 SER 49 2HB SER 49 -4.254 8.590 1.217 344 HG SER 49 HG SER 49 -2.113 9.819 1.623 345 H ASP 50 H ASP 50 -4.874 10.993 -1.637 346 HA ASP 50 HA ASP 50 -2.915 12.829 -2.686 347 HB2 ASP 50 1HB ASP 50 -4.755 12.431 -4.119 348 HB3 ASP 50 2HB ASP 50 -5.921 12.684 -2.822 349 H GLN 51 H GLN 51 -4.124 12.456 0.305 350 HA GLN 51 HA GLN 51 -4.575 15.269 0.897 351 HB2 GLN 51 1HB GLN 51 -4.571 12.908 2.782 352 HB3 GLN 51 2HB GLN 51 -5.172 14.524 3.125 353 HG2 GLN 51 1HG GLN 51 -7.059 14.247 1.834 354 HG3 GLN 51 2HG GLN 51 -6.333 12.965 0.865 355 HE21 GLN 51 1HE2 GLN 51 -8.636 12.219 1.514 356 HE22 GLN 51 2HE2 GLN 51 -8.706 11.195 2.904 357 HA PRO 52 HA PRO 52 -0.191 15.646 1.769 358 HB2 PRO 52 1HB PRO 52 -0.259 18.332 2.160 359 HB3 PRO 52 2HB PRO 52 -0.252 17.594 0.554 360 HG2 PRO 52 1HG PRO 52 -2.557 18.664 2.137 361 HG3 PRO 52 2HG PRO 52 -2.199 18.858 0.411 362 HD2 PRO 52 1HD PRO 52 -4.010 17.068 1.330 363 HD3 PRO 52 2HD PRO 52 -3.036 16.779 -0.126 364 H LYS 53 H LYS 53 1.039 15.996 3.620 365 HA LYS 53 HA LYS 53 -0.223 15.569 6.096 366 HB2 LYS 53 1HB LYS 53 2.573 16.383 5.333 367 HB3 LYS 53 2HB LYS 53 2.094 16.202 7.015 368 HG2 LYS 53 1HG LYS 53 1.450 13.867 6.546 369 HG3 LYS 53 2HG LYS 53 2.037 14.067 4.893 370 HD2 LYS 53 1HD LYS 53 3.791 13.027 6.093 371 HD3 LYS 53 2HD LYS 53 4.266 14.716 5.902 372 HE2 LYS 53 1HE LYS 53 2.754 13.945 8.344 373 HE3 LYS 53 2HE LYS 53 4.446 13.462 8.228 374 HZ1 LYS 53 3HZ LYS 53 4.872 15.489 9.013 375 HZ2 LYS 53 1HZ LYS 53 3.314 16.061 8.686 376 HZ3 LYS 53 2HZ LYS 53 4.487 16.062 7.468 377 H ALA 54 H ALA 54 1.493 18.464 4.909 378 HA ALA 54 HA ALA 54 -0.289 20.101 6.576 379 HB1 ALA 54 1HB ALA 54 1.906 21.567 6.825 380 HB2 ALA 54 2HB ALA 54 1.516 20.268 7.953 381 HB3 ALA 54 3HB ALA 54 2.675 19.990 6.654 382 H GLY 55 H GLY 55 -1.456 20.726 4.749 383 HA2 GLY 55 1HA GLY 55 -1.948 21.980 2.888 384 HA3 GLY 55 2HA GLY 55 -0.658 23.039 3.440 385 HA PRO 56 HA PRO 56 0.529 21.328 -0.705 386 HB2 PRO 56 1HB PRO 56 1.301 23.718 -1.733 387 HB3 PRO 56 2HB PRO 56 -0.367 23.140 -1.795 388 HG2 PRO 56 1HG PRO 56 0.896 25.076 0.105 389 HG3 PRO 56 2HG PRO 56 -0.681 25.166 -0.699 390 HD2 PRO 56 1HD PRO 56 -0.402 24.373 1.876 391 HD3 PRO 56 2HD PRO 56 -1.675 23.738 0.813 392 H GLY 57 H GLY 57 2.531 20.570 -1.039 393 HA2 GLY 57 1HA GLY 57 4.917 21.099 -1.283 394 HA3 GLY 57 2HA GLY 57 4.785 22.015 0.211 395 H SER 58 H SER 58 3.344 20.226 1.775 396 HA SER 58 HA SER 58 5.402 18.538 2.703 397 HB2 SER 58 1HB SER 58 3.984 18.014 4.453 398 HB3 SER 58 2HB SER 58 3.271 19.532 3.908 399 HG SER 58 HG SER 58 1.703 18.379 2.815 400 HA PRO 59 HA PRO 59 4.941 14.861 0.350 401 HB2 PRO 59 1HB PRO 59 5.607 12.981 2.192 402 HB3 PRO 59 2HB PRO 59 6.791 14.069 1.457 403 HG2 PRO 59 1HG PRO 59 5.442 14.261 4.122 404 HG3 PRO 59 2HG PRO 59 7.141 14.548 3.706 405 HD2 PRO 59 1HD PRO 59 5.366 16.563 4.054 406 HD3 PRO 59 2HD PRO 59 6.718 16.669 2.909 407 H LEU 60 H LEU 60 3.060 14.029 -0.283 408 HA LEU 60 HA LEU 60 0.687 13.920 1.011 409 HB2 LEU 60 1HB LEU 60 1.857 12.076 -1.044 410 HB3 LEU 60 2HB LEU 60 0.221 11.836 -0.432 411 HG LEU 60 HG LEU 60 1.214 14.308 -1.852 412 HD11 LEU 60 1HD1 LEU 60 -0.612 12.113 -2.819 413 HD12 LEU 60 2HD1 LEU 60 1.063 12.346 -3.320 414 HD13 LEU 60 3HD1 LEU 60 -0.152 13.565 -3.710 415 HD21 LEU 60 3HD2 LEU 60 -1.241 14.820 -1.942 416 HD22 LEU 60 1HD2 LEU 60 -0.515 14.924 -0.338 417 HD23 LEU 60 2HD2 LEU 60 -1.487 13.519 -0.775 418 H ARG 61 H ARG 61 -0.485 12.422 2.232 419 HA ARG 61 HA ARG 61 1.030 10.992 4.168 420 HB2 ARG 61 1HB ARG 61 -1.371 12.097 4.279 421 HB3 ARG 61 2HB ARG 61 -1.889 10.487 3.798 422 HG2 ARG 61 1HG ARG 61 -1.997 10.298 6.068 423 HG3 ARG 61 2HG ARG 61 -0.347 9.739 5.783 424 HD2 ARG 61 1HD ARG 61 0.327 12.192 6.130 425 HD3 ARG 61 2HD ARG 61 -1.283 12.395 6.820 426 HE ARG 61 HE ARG 61 0.149 10.203 7.975 427 HH11 ARG 61 2HH1 ARG 61 -0.298 13.654 8.066 428 HH12 ARG 61 1HH1 ARG 61 0.210 13.808 9.715 429 HH21 ARG 61 2HH2 ARG 61 0.820 10.392 10.147 430 HH22 ARG 61 1HH2 ARG 61 0.847 11.952 10.898 431 H VAL 62 H VAL 62 1.079 8.752 4.575 432 HA VAL 62 HA VAL 62 0.537 7.087 2.202 433 HB VAL 62 HB VAL 62 2.609 6.527 4.323 434 HG11 VAL 62 1HG1 VAL 62 2.266 4.498 3.339 435 HG12 VAL 62 2HG1 VAL 62 1.738 5.204 1.810 436 HG13 VAL 62 3HG1 VAL 62 3.454 5.163 2.218 437 HG21 VAL 62 3HG2 VAL 62 3.706 8.266 3.405 438 HG22 VAL 62 1HG2 VAL 62 4.037 7.127 2.100 439 HG23 VAL 62 2HG2 VAL 62 2.701 8.269 1.956 440 H THR 63 H THR 63 -0.885 5.494 2.428 441 HA THR 63 HA THR 63 -1.812 4.820 5.128 442 HB THR 63 HB THR 63 -3.099 4.285 2.443 443 HG1 THR 63 1HG THR 63 -3.203 6.474 3.082 444 HG21 THR 63 3HG2 THR 63 -4.988 3.438 3.626 445 HG22 THR 63 1HG2 THR 63 -4.295 3.889 5.183 446 HG23 THR 63 2HG2 THR 63 -3.573 2.584 4.241 447 H HIS 64 H HIS 64 -0.692 3.166 5.962 448 HA HIS 64 HA HIS 64 0.120 0.950 4.237 449 HB2 HIS 64 1HB HIS 64 0.772 1.329 7.160 450 HB3 HIS 64 2HB HIS 64 1.585 0.278 6.004 451 HD1 HIS 64 1HD HIS 64 3.322 1.348 4.450 452 HD2 HIS 64 2HD HIS 64 1.472 4.052 7.004 453 HE1 HIS 64 1HE HIS 64 4.674 3.462 4.285 454 HE2 HIS 64 2HE HIS 64 3.587 5.056 5.904 455 H ILE 65 H ILE 65 -1.272 -0.662 4.000 456 HA ILE 65 HA ILE 65 -2.913 -1.453 6.320 457 HB ILE 65 HB ILE 65 -3.628 -1.785 3.405 458 HG12 ILE 65 1HG1 ILE 65 -5.054 0.018 5.336 459 HG13 ILE 65 2HG1 ILE 65 -3.621 0.590 4.487 460 HG21 ILE 65 1HG2 ILE 65 -4.480 -3.298 5.480 461 HG22 ILE 65 2HG2 ILE 65 -5.685 -2.011 5.491 462 HG23 ILE 65 3HG2 ILE 65 -5.434 -2.970 4.034 463 HD11 ILE 65 3HD1 ILE 65 -4.659 0.494 2.418 464 HD12 ILE 65 1HD1 ILE 65 -5.913 -0.607 2.988 465 HD13 ILE 65 2HD1 ILE 65 -5.930 1.085 3.488 466 H LYS 66 H LYS 66 -2.555 -3.421 7.090 467 HA LYS 66 HA LYS 66 -0.682 -5.182 5.842 468 HB2 LYS 66 1HB LYS 66 -2.280 -5.181 8.357 469 HB3 LYS 66 2HB LYS 66 -1.662 -6.724 7.782 470 HG2 LYS 66 1HG LYS 66 0.596 -5.913 7.862 471 HG3 LYS 66 2HG LYS 66 0.038 -4.288 8.265 472 HD2 LYS 66 1HD LYS 66 -0.719 -4.981 10.401 473 HD3 LYS 66 2HD LYS 66 -0.551 -6.688 9.984 474 HE2 LYS 66 1HE LYS 66 1.827 -4.870 9.947 475 HE3 LYS 66 2HE LYS 66 1.249 -5.553 11.466 476 HZ1 LYS 66 3HZ LYS 66 2.900 -7.001 10.629 477 HZ2 LYS 66 1HZ LYS 66 2.217 -7.021 9.080 478 HZ3 LYS 66 2HZ LYS 66 1.419 -7.775 10.366 479 H VAL 67 H VAL 67 -1.024 -6.927 4.597 480 HA VAL 67 HA VAL 67 -3.803 -7.554 3.888 481 HB VAL 67 HB VAL 67 -1.257 -8.300 2.441 482 HG11 VAL 67 1HG1 VAL 67 -3.646 -9.572 2.278 483 HG12 VAL 67 2HG1 VAL 67 -3.831 -8.340 1.027 484 HG13 VAL 67 3HG1 VAL 67 -2.478 -9.470 0.960 485 HG21 VAL 67 3HG2 VAL 67 -2.740 -6.588 0.846 486 HG22 VAL 67 1HG2 VAL 67 -2.848 -5.878 2.456 487 HG23 VAL 67 2HG2 VAL 67 -1.270 -6.186 1.732 488 H MET 68 H MET 68 -4.525 -9.055 5.305 489 HA MET 68 HA MET 68 -2.952 -11.115 6.425 490 HB2 MET 68 1HB MET 68 -5.853 -10.468 6.308 491 HB3 MET 68 2HB MET 68 -5.410 -12.117 6.731 492 HG2 MET 68 1HG MET 68 -4.073 -11.305 8.584 493 HG3 MET 68 2HG MET 68 -4.449 -9.642 8.145 494 HE1 MET 68 3HE MET 68 -8.022 -9.089 8.964 495 HE2 MET 68 1HE MET 68 -6.790 -8.904 7.716 496 HE3 MET 68 2HE MET 68 -7.993 -10.186 7.584 497 H CYS 69 H CYS 69 -3.314 -13.451 6.115 498 HA CYS 69 HA CYS 69 -4.003 -14.132 3.337 499 HB2 CYS 69 1HB CYS 69 -1.578 -14.084 3.498 500 HB3 CYS 69 2HB CYS 69 -1.622 -15.127 4.915 501 HG CYS 69 HG CYS 69 -0.698 -16.573 2.680 502 H GLU 70 H GLU 70 -5.566 -15.593 3.250 503 HA GLU 70 HA GLU 70 -5.848 -17.482 5.495 504 HB2 GLU 70 1HB GLU 70 -8.031 -16.304 3.767 505 HB3 GLU 70 2HB GLU 70 -8.270 -17.496 5.037 506 HG2 GLU 70 1HG GLU 70 -7.009 -14.842 5.609 507 HG3 GLU 70 2HG GLU 70 -8.759 -15.043 5.564 508 H GLY 71 H GLY 71 -4.935 -19.313 4.744 509 HA2 GLY 71 1HA GLY 71 -4.535 -21.139 3.407 510 HA3 GLY 71 2HA GLY 71 -6.240 -21.007 3.001 511 H GLY 72 H GLY 72 -3.285 -19.150 2.235 512 HA2 GLY 72 1HA GLY 72 -2.307 -18.811 0.149 513 HA3 GLY 72 2HA GLY 72 -3.600 -19.751 -0.582 514 H ARG 73 H ARG 73 -5.740 -18.204 0.610 515 HA ARG 73 HA ARG 73 -5.865 -16.120 -1.355 516 HB2 ARG 73 1HB ARG 73 -7.770 -16.769 0.902 517 HB3 ARG 73 2HB ARG 73 -8.105 -15.697 -0.451 518 HG2 ARG 73 1HG ARG 73 -8.221 -17.451 -1.973 519 HG3 ARG 73 2HG ARG 73 -7.359 -18.558 -0.904 520 HD2 ARG 73 1HD ARG 73 -9.223 -18.863 0.473 521 HD3 ARG 73 2HD ARG 73 -10.023 -17.416 -0.139 522 HE ARG 73 HE ARG 73 -10.912 -18.678 -1.819 523 HH11 ARG 73 2HH1 ARG 73 -8.193 -20.375 -0.464 524 HH12 ARG 73 1HH1 ARG 73 -8.462 -21.814 -1.391 525 HH21 ARG 73 2HH2 ARG 73 -11.277 -20.565 -3.046 526 HH22 ARG 73 1HH2 ARG 73 -10.216 -21.920 -2.860 527 H TYR 74 H TYR 74 -6.600 -13.886 -0.721 528 HA TYR 74 HA TYR 74 -5.223 -12.982 1.721 529 HB2 TYR 74 1HB TYR 74 -5.220 -11.643 -0.992 530 HB3 TYR 74 2HB TYR 74 -4.560 -10.934 0.477 531 HD1 TYR 74 1HD TYR 74 -3.193 -13.258 1.681 532 HD2 TYR 74 2HD TYR 74 -3.366 -11.964 -2.369 533 HE1 TYR 74 1HE TYR 74 -1.035 -14.355 1.244 534 HE2 TYR 74 2HE TYR 74 -1.209 -13.059 -2.817 535 HH TYR 74 HH TYR 74 0.334 -15.118 -0.452 536 H THR 75 H THR 75 -6.085 -11.142 2.751 537 HA THR 75 HA THR 75 -8.513 -9.933 1.764 538 HB THR 75 HB THR 75 -9.247 -12.090 2.880 539 HG1 THR 75 1HG THR 75 -10.256 -9.816 4.236 540 HG21 THR 75 3HG2 THR 75 -7.540 -11.198 4.907 541 HG22 THR 75 1HG2 THR 75 -8.640 -12.574 4.973 542 HG23 THR 75 2HG2 THR 75 -9.169 -10.994 5.549 543 H VAL 76 H VAL 76 -9.327 -8.242 3.269 544 HA VAL 76 HA VAL 76 -7.189 -7.210 5.014 545 HB VAL 76 HB VAL 76 -7.897 -4.906 4.327 546 HG11 VAL 76 1HG1 VAL 76 -6.440 -4.830 2.519 547 HG12 VAL 76 2HG1 VAL 76 -5.945 -6.298 3.364 548 HG13 VAL 76 3HG1 VAL 76 -6.948 -6.409 1.917 549 HG21 VAL 76 3HG2 VAL 76 -9.963 -4.982 3.355 550 HG22 VAL 76 1HG2 VAL 76 -8.959 -5.019 1.905 551 HG23 VAL 76 2HG2 VAL 76 -9.646 -6.514 2.541 552 H GLY 77 H GLY 77 -8.273 -8.037 6.845 553 HA2 GLY 77 1HA GLY 77 -9.571 -7.674 8.720 554 HA3 GLY 77 2HA GLY 77 -10.233 -6.250 7.931 555 H GLY 78 H GLY 78 -11.599 -7.005 5.854 556 HA2 GLY 78 1HA GLY 78 -13.922 -8.199 6.885 557 HA3 GLY 78 2HA GLY 78 -13.595 -7.915 5.182 558 H LEU 79 H LEU 79 -15.026 -10.109 5.879 559 HA LEU 79 HA LEU 79 -13.348 -12.415 6.206 560 HB2 LEU 79 1HB LEU 79 -16.250 -12.153 5.434 561 HB3 LEU 79 2HB LEU 79 -15.434 -13.679 5.770 562 HG LEU 79 HG LEU 79 -15.738 -11.459 7.787 563 HD11 LEU 79 1HD1 LEU 79 -17.823 -12.100 8.166 564 HD12 LEU 79 2HD1 LEU 79 -17.297 -13.769 8.390 565 HD13 LEU 79 3HD1 LEU 79 -17.729 -13.189 6.781 566 HD21 LEU 79 3HD2 LEU 79 -14.753 -12.838 9.304 567 HD22 LEU 79 1HD2 LEU 79 -13.932 -13.405 7.850 568 HD23 LEU 79 2HD2 LEU 79 -15.303 -14.307 8.496 569 H GLU 80 H GLU 80 -14.521 -10.555 3.549 570 HA GLU 80 HA GLU 80 -14.642 -12.299 1.452 571 HB2 GLU 80 1HB GLU 80 -13.707 -9.474 1.691 572 HB3 GLU 80 2HB GLU 80 -13.457 -10.313 0.167 573 HG2 GLU 80 1HG GLU 80 -15.693 -10.443 -0.295 574 HG3 GLU 80 2HG GLU 80 -16.159 -10.380 1.404 575 H THR 81 H THR 81 -12.958 -12.490 -0.358 576 HA THR 81 HA THR 81 -10.206 -12.641 0.518 577 HB THR 81 HB THR 81 -9.930 -15.027 0.020 578 HG1 THR 81 1HG THR 81 -12.674 -14.807 -0.557 579 HG21 THR 81 3HG2 THR 81 -10.956 -15.920 2.021 580 HG22 THR 81 1HG2 THR 81 -12.106 -14.584 2.068 581 HG23 THR 81 2HG2 THR 81 -10.389 -14.282 2.341 582 H PHE 82 H PHE 82 -8.730 -13.158 -1.223 583 HA PHE 82 HA PHE 82 -9.899 -13.006 -3.911 584 HB2 PHE 82 1HB PHE 82 -7.574 -11.312 -2.974 585 HB3 PHE 82 2HB PHE 82 -8.274 -11.320 -4.589 586 HD1 PHE 82 2HD PHE 82 -8.790 -10.324 -1.095 587 HD2 PHE 82 1HD PHE 82 -10.304 -10.155 -5.068 588 HE1 PHE 82 2HE PHE 82 -10.354 -8.549 -0.419 589 HE2 PHE 82 1HE PHE 82 -11.870 -8.379 -4.400 590 HZ PHE 82 HZ PHE 82 -11.898 -7.575 -2.072 591 H ASP 83 H ASP 83 -8.492 -13.743 -5.608 592 HA ASP 83 HA ASP 83 -7.159 -16.115 -5.047 593 HB2 ASP 83 1HB ASP 83 -6.995 -14.262 -7.422 594 HB3 ASP 83 2HB ASP 83 -6.160 -15.812 -7.369 595 H SER 84 H SER 84 -5.817 -12.880 -5.624 596 HA SER 84 HA SER 84 -3.619 -13.326 -3.885 597 HB2 SER 84 1HB SER 84 -1.824 -13.146 -5.629 598 HB3 SER 84 2HB SER 84 -2.722 -14.663 -5.682 599 HG SER 84 HG SER 84 -4.074 -13.305 -7.282 600 H LEU 85 H LEU 85 -1.882 -11.490 -4.349 601 HA LEU 85 HA LEU 85 -2.972 -9.068 -3.764 602 HB2 LEU 85 1HB LEU 85 -0.415 -9.892 -5.033 603 HB3 LEU 85 2HB LEU 85 -0.823 -8.177 -5.036 604 HG LEU 85 HG LEU 85 0.602 -8.594 -3.172 605 HD11 LEU 85 1HD1 LEU 85 -1.717 -7.302 -2.956 606 HD12 LEU 85 2HD1 LEU 85 -0.597 -7.478 -1.606 607 HD13 LEU 85 3HD1 LEU 85 -1.989 -8.552 -1.742 608 HD21 LEU 85 3HD2 LEU 85 0.515 -10.886 -2.784 609 HD22 LEU 85 1HD2 LEU 85 -1.245 -10.897 -2.658 610 HD23 LEU 85 2HD2 LEU 85 -0.273 -10.203 -1.360 611 H THR 86 H THR 86 -2.738 -10.557 -6.894 612 HA THR 86 HA THR 86 -3.213 -8.210 -8.439 613 HB THR 86 HB THR 86 -3.727 -11.094 -9.195 614 HG1 THR 86 1HG THR 86 -1.447 -9.499 -9.793 615 HG21 THR 86 3HG2 THR 86 -4.549 -8.863 -10.529 616 HG22 THR 86 1HG2 THR 86 -4.187 -10.411 -11.291 617 HG23 THR 86 2HG2 THR 86 -2.964 -9.140 -11.250 618 H ASP 87 H ASP 87 -5.307 -10.897 -7.402 619 HA ASP 87 HA ASP 87 -7.677 -9.781 -8.502 620 HB2 ASP 87 1HB ASP 87 -7.452 -12.184 -8.051 621 HB3 ASP 87 2HB ASP 87 -7.349 -11.855 -6.324 622 H LEU 88 H LEU 88 -6.167 -9.665 -5.320 623 HA LEU 88 HA LEU 88 -8.327 -8.390 -3.996 624 HB2 LEU 88 1HB LEU 88 -6.529 -9.612 -2.839 625 HB3 LEU 88 2HB LEU 88 -5.390 -8.356 -3.316 626 HG LEU 88 HG LEU 88 -7.784 -7.574 -1.724 627 HD11 LEU 88 1HD1 LEU 88 -7.275 -8.821 0.033 628 HD12 LEU 88 2HD1 LEU 88 -5.663 -8.106 0.070 629 HD13 LEU 88 3HD1 LEU 88 -5.956 -9.574 -0.862 630 HD21 LEU 88 3HD2 LEU 88 -6.139 -5.940 -2.655 631 HD22 LEU 88 1HD2 LEU 88 -4.914 -6.666 -1.616 632 HD23 LEU 88 2HD2 LEU 88 -6.319 -5.876 -0.901 633 H VAL 89 H VAL 89 -5.161 -7.056 -4.967 634 HA VAL 89 HA VAL 89 -5.717 -4.386 -4.505 635 HB VAL 89 HB VAL 89 -3.960 -5.531 -6.680 636 HG11 VAL 89 1HG1 VAL 89 -4.688 -3.046 -6.764 637 HG12 VAL 89 2HG1 VAL 89 -3.586 -2.852 -5.400 638 HG13 VAL 89 3HG1 VAL 89 -2.981 -3.448 -6.946 639 HG21 VAL 89 3HG2 VAL 89 -3.685 -5.944 -4.024 640 HG22 VAL 89 1HG2 VAL 89 -2.333 -5.860 -5.155 641 HG23 VAL 89 2HG2 VAL 89 -2.783 -4.440 -4.211 642 H GLU 90 H GLU 90 -5.891 -6.050 -7.660 643 HA GLU 90 HA GLU 90 -6.876 -4.059 -9.229 644 HB2 GLU 90 1HB GLU 90 -7.558 -6.994 -9.208 645 HB3 GLU 90 2HB GLU 90 -8.158 -5.903 -10.448 646 HG2 GLU 90 1HG GLU 90 -5.233 -6.105 -9.861 647 HG3 GLU 90 2HG GLU 90 -6.035 -7.264 -10.919 648 H HIS 91 H HIS 91 -8.934 -6.356 -7.434 649 HA HIS 91 HA HIS 91 -11.380 -5.156 -7.990 650 HB2 HIS 91 1HB HIS 91 -11.382 -7.330 -7.021 651 HB3 HIS 91 2HB HIS 91 -10.455 -6.787 -5.626 652 HD1 HIS 91 1HD HIS 91 -13.892 -7.148 -6.893 653 HD2 HIS 91 2HD HIS 91 -11.970 -5.227 -3.749 654 HE1 HIS 91 1HE HIS 91 -15.712 -6.522 -5.274 655 HE2 HIS 91 2HE HIS 91 -14.535 -5.286 -3.421 656 H PHE 92 H PHE 92 -8.852 -4.136 -5.898 657 HA PHE 92 HA PHE 92 -10.589 -2.307 -4.430 658 HB2 PHE 92 1HB PHE 92 -7.827 -3.340 -4.085 659 HB3 PHE 92 2HB PHE 92 -8.138 -1.709 -3.499 660 HD1 PHE 92 2HD PHE 92 -10.748 -1.772 -2.374 661 HD2 PHE 92 1HD PHE 92 -7.760 -4.803 -2.324 662 HE1 PHE 92 2HE PHE 92 -11.727 -2.699 -0.316 663 HE2 PHE 92 1HE PHE 92 -8.735 -5.735 -0.267 664 HZ PHE 92 HZ PHE 92 -10.720 -4.683 0.741 665 H LYS 93 H LYS 93 -8.618 -2.353 -7.191 666 HA LYS 93 HA LYS 93 -7.824 0.400 -7.164 667 HB2 LYS 93 1HB LYS 93 -7.915 -1.612 -9.418 668 HB3 LYS 93 2HB LYS 93 -7.177 -0.019 -9.524 669 HG2 LYS 93 1HG LYS 93 -5.830 -0.881 -7.429 670 HG3 LYS 93 2HG LYS 93 -6.242 -2.457 -8.110 671 HD2 LYS 93 1HD LYS 93 -5.016 -0.268 -9.768 672 HD3 LYS 93 2HD LYS 93 -4.035 -1.411 -8.846 673 HE2 LYS 93 1HE LYS 93 -4.956 -3.266 -10.066 674 HE3 LYS 93 2HE LYS 93 -6.106 -2.210 -10.885 675 HZ1 LYS 93 3HZ LYS 93 -4.405 -1.215 -12.126 676 HZ2 LYS 93 1HZ LYS 93 -4.053 -2.870 -12.171 677 HZ3 LYS 93 2HZ LYS 93 -3.180 -1.848 -11.143 678 H LYS 94 H LYS 94 -10.705 -1.244 -7.890 679 HA LYS 94 HA LYS 94 -11.707 1.004 -9.499 680 HB2 LYS 94 1HB LYS 94 -13.587 -0.537 -10.070 681 HB3 LYS 94 2HB LYS 94 -12.011 -1.103 -10.609 682 HG2 LYS 94 1HG LYS 94 -11.930 -2.533 -8.548 683 HG3 LYS 94 2HG LYS 94 -13.615 -2.087 -8.264 684 HD2 LYS 94 1HD LYS 94 -13.863 -2.874 -10.781 685 HD3 LYS 94 2HD LYS 94 -12.429 -3.820 -10.372 686 HE2 LYS 94 1HE LYS 94 -14.128 -5.278 -9.818 687 HE3 LYS 94 2HE LYS 94 -13.811 -4.495 -8.271 688 HZ1 LYS 94 3HZ LYS 94 -16.185 -4.645 -8.765 689 HZ2 LYS 94 1HZ LYS 94 -15.964 -3.718 -10.163 690 HZ3 LYS 94 2HZ LYS 94 -15.679 -3.035 -8.643 691 H THR 95 H THR 95 -12.316 -0.919 -6.615 692 HA THR 95 HA THR 95 -14.644 0.681 -5.916 693 HB THR 95 HB THR 95 -14.875 -0.795 -3.988 694 HG1 THR 95 1HG THR 95 -12.528 -2.114 -4.926 695 HG21 THR 95 3HG2 THR 95 -14.465 -3.006 -5.682 696 HG22 THR 95 1HG2 THR 95 -14.896 -1.652 -6.727 697 HG23 THR 95 2HG2 THR 95 -15.966 -2.122 -5.406 698 H GLY 96 H GLY 96 -11.770 -0.327 -4.050 699 HA2 GLY 96 1HA GLY 96 -10.236 1.383 -3.202 700 HA3 GLY 96 2HA GLY 96 -11.634 2.429 -2.994 701 H ILE 97 H ILE 97 -9.620 1.579 -1.039 702 HA ILE 97 HA ILE 97 -11.149 -0.125 0.774 703 HB ILE 97 HB ILE 97 -8.352 0.988 1.008 704 HG12 ILE 97 1HG1 ILE 97 -9.027 -1.918 0.812 705 HG13 ILE 97 2HG1 ILE 97 -9.045 -0.944 -0.653 706 HG21 ILE 97 1HG2 ILE 97 -8.855 0.746 3.216 707 HG22 ILE 97 2HG2 ILE 97 -10.085 -0.481 2.916 708 HG23 ILE 97 3HG2 ILE 97 -8.376 -0.912 2.855 709 HD11 ILE 97 3HD1 ILE 97 -6.907 -1.818 -0.615 710 HD12 ILE 97 1HD1 ILE 97 -6.688 -0.210 0.077 711 HD13 ILE 97 2HD1 ILE 97 -6.750 -1.623 1.130 712 H GLU 98 H GLU 98 -11.967 0.543 2.715 713 HA GLU 98 HA GLU 98 -11.965 3.448 3.177 714 HB2 GLU 98 1HB GLU 98 -14.185 2.660 2.755 715 HB3 GLU 98 2HB GLU 98 -13.987 1.323 3.878 716 HG2 GLU 98 1HG GLU 98 -14.125 2.714 5.747 717 HG3 GLU 98 2HG GLU 98 -13.827 4.169 4.795 718 H GLU 99 H GLU 99 -10.753 4.121 4.807 719 HA GLU 99 HA GLU 99 -9.853 2.260 6.838 720 HB2 GLU 99 1HB GLU 99 -9.229 5.200 6.518 721 HB3 GLU 99 2HB GLU 99 -8.397 4.069 7.575 722 HG2 GLU 99 1HG GLU 99 -6.948 4.111 5.826 723 HG3 GLU 99 2HG GLU 99 -7.984 2.776 5.327 724 H ALA 100 H ALA 100 -10.312 2.356 9.008 725 HA ALA 100 HA ALA 100 -12.771 2.912 9.941 726 HB1 ALA 100 1HB ALA 100 -10.221 3.310 11.504 727 HB2 ALA 100 2HB ALA 100 -11.829 3.080 12.193 728 HB3 ALA 100 3HB ALA 100 -11.071 1.782 11.270 729 H SER 101 H SER 101 -10.067 5.195 10.436 730 HA SER 101 HA SER 101 -11.258 7.318 11.534 731 HB2 SER 101 1HB SER 101 -9.694 8.775 10.387 732 HB3 SER 101 2HB SER 101 -8.889 7.252 10.759 733 HG SER 101 HG SER 101 -8.803 6.767 8.685 734 H GLY 102 H GLY 102 -11.646 6.335 8.171 735 HA2 GLY 102 1HA GLY 102 -13.939 6.751 7.288 736 HA3 GLY 102 2HA GLY 102 -13.758 8.386 7.906 737 H ALA 103 H ALA 103 -10.991 6.894 6.500 738 HA ALA 103 HA ALA 103 -11.159 8.766 4.255 739 HB1 ALA 103 1HB ALA 103 -9.036 7.827 5.915 740 HB2 ALA 103 2HB ALA 103 -8.680 7.420 4.236 741 HB3 ALA 103 3HB ALA 103 -9.008 9.093 4.688 742 H PHE 104 H PHE 104 -10.566 8.067 2.107 743 HA PHE 104 HA PHE 104 -11.070 5.207 1.623 744 HB2 PHE 104 1HB PHE 104 -12.388 7.600 0.459 745 HB3 PHE 104 2HB PHE 104 -12.042 6.271 -0.642 746 HD1 PHE 104 2HD PHE 104 -13.115 4.103 -0.353 747 HD2 PHE 104 1HD PHE 104 -14.040 7.393 2.183 748 HE1 PHE 104 2HE PHE 104 -15.138 2.935 0.419 749 HE2 PHE 104 1HE PHE 104 -16.064 6.231 2.959 750 HZ PHE 104 HZ PHE 104 -16.616 3.999 2.076 751 H VAL 105 H VAL 105 -9.161 4.417 0.997 752 HA VAL 105 HA VAL 105 -7.232 5.980 -0.440 753 HB VAL 105 HB VAL 105 -7.294 3.043 0.256 754 HG11 VAL 105 1HG1 VAL 105 -5.032 2.877 -0.484 755 HG12 VAL 105 2HG1 VAL 105 -5.971 3.571 -1.807 756 HG13 VAL 105 3HG1 VAL 105 -4.951 4.609 -0.810 757 HG21 VAL 105 3HG2 VAL 105 -6.908 4.008 2.275 758 HG22 VAL 105 1HG2 VAL 105 -5.256 4.047 1.660 759 HG23 VAL 105 2HG2 VAL 105 -6.265 5.490 1.568 760 H TYR 106 H TYR 106 -6.812 6.027 -2.574 761 HA TYR 106 HA TYR 106 -8.421 4.270 -4.310 762 HB2 TYR 106 1HB TYR 106 -7.507 7.101 -4.863 763 HB3 TYR 106 2HB TYR 106 -8.427 6.086 -5.969 764 HD1 TYR 106 1HD TYR 106 -10.372 4.875 -4.057 765 HD2 TYR 106 2HD TYR 106 -8.979 8.876 -4.448 766 HE1 TYR 106 1HE TYR 106 -12.469 5.695 -3.069 767 HE2 TYR 106 2HE TYR 106 -11.072 9.708 -3.459 768 HH TYR 106 HH TYR 106 -13.734 8.302 -3.340 769 H LEU 107 H LEU 107 -7.389 3.113 -5.831 770 HA LEU 107 HA LEU 107 -4.491 3.549 -6.125 771 HB2 LEU 107 1HB LEU 107 -5.940 0.977 -6.680 772 HB3 LEU 107 2HB LEU 107 -4.207 1.230 -6.481 773 HG LEU 107 HG LEU 107 -4.949 1.956 -4.048 774 HD11 LEU 107 1HD1 LEU 107 -7.375 0.988 -5.163 775 HD12 LEU 107 2HD1 LEU 107 -7.063 1.559 -3.523 776 HD13 LEU 107 3HD1 LEU 107 -6.845 -0.145 -3.919 777 HD21 LEU 107 3HD2 LEU 107 -3.948 0.051 -3.408 778 HD22 LEU 107 1HD2 LEU 107 -3.693 -0.191 -5.136 779 HD23 LEU 107 2HD2 LEU 107 -5.058 -0.965 -4.330 780 H ARG 108 H ARG 108 -4.504 4.917 -7.878 781 HA ARG 108 HA ARG 108 -5.969 4.148 -10.275 782 HB2 ARG 108 1HB ARG 108 -4.192 6.550 -9.813 783 HB3 ARG 108 2HB ARG 108 -5.291 6.303 -11.164 784 HG2 ARG 108 1HG ARG 108 -7.166 6.249 -9.490 785 HG3 ARG 108 2HG ARG 108 -5.993 6.780 -8.282 786 HD2 ARG 108 1HD ARG 108 -6.938 8.775 -8.991 787 HD3 ARG 108 2HD ARG 108 -5.472 8.671 -9.965 788 HE ARG 108 HE ARG 108 -8.214 8.393 -10.896 789 HH11 ARG 108 2HH1 ARG 108 -4.812 8.155 -11.593 790 HH12 ARG 108 1HH1 ARG 108 -5.026 8.215 -13.311 791 HH21 ARG 108 2HH2 ARG 108 -8.510 8.473 -13.157 792 HH22 ARG 108 1HH2 ARG 108 -7.130 8.397 -14.199 793 H GLN 109 H GLN 109 -2.614 4.746 -9.271 794 HA GLN 109 HA GLN 109 -1.726 2.918 -11.376 795 HB2 GLN 109 1HB GLN 109 0.022 4.402 -12.121 796 HB3 GLN 109 2HB GLN 109 -1.522 5.237 -12.246 797 HG2 GLN 109 1HG GLN 109 0.158 5.579 -9.804 798 HG3 GLN 109 2HG GLN 109 0.549 6.463 -11.279 799 HE21 GLN 109 1HE2 GLN 109 -0.118 7.789 -8.981 800 HE22 GLN 109 2HE2 GLN 109 -1.657 8.549 -9.173 801 HA PRO 110 HA PRO 110 0.750 1.304 -8.112 802 HB2 PRO 110 1HB PRO 110 2.561 -0.065 -9.602 803 HB3 PRO 110 2HB PRO 110 0.895 -0.610 -9.376 804 HG2 PRO 110 1HG PRO 110 2.111 0.852 -11.688 805 HG3 PRO 110 2HG PRO 110 0.976 -0.511 -11.697 806 HD2 PRO 110 1HD PRO 110 0.185 2.047 -12.103 807 HD3 PRO 110 2HD PRO 110 -0.848 0.843 -11.306 808 H TYR 111 H TYR 111 3.427 0.794 -8.147 809 HA TYR 111 HA TYR 111 4.731 3.350 -8.766 810 HB2 TYR 111 1HB TYR 111 4.096 3.433 -6.404 811 HB3 TYR 111 2HB TYR 111 4.908 1.898 -6.118 812 HD1 TYR 111 1HD TYR 111 5.525 5.404 -7.194 813 HD2 TYR 111 2HD TYR 111 7.176 1.848 -5.543 814 HE1 TYR 111 1HE TYR 111 7.612 6.610 -6.702 815 HE2 TYR 111 2HE TYR 111 9.268 3.043 -5.045 816 HH TYR 111 HH TYR 111 9.698 6.449 -5.952 817 H TYR 112 H TYR 112 6.317 2.878 -10.127 818 HA TYR 112 HA TYR 112 7.722 0.316 -9.859 819 HB2 TYR 112 1HB TYR 112 7.906 2.255 -12.165 820 HB3 TYR 112 2HB TYR 112 8.398 0.565 -12.138 821 HD1 TYR 112 1HD TYR 112 5.945 -0.545 -10.746 822 HD2 TYR 112 2HD TYR 112 6.375 2.198 -13.968 823 HE1 TYR 112 1HE TYR 112 3.734 -1.207 -11.596 824 HE2 TYR 112 2HE TYR 112 4.165 1.546 -14.828 825 HH TYR 112 HH TYR 112 2.281 -1.028 -13.285 826 H SER 113 H SER 113 9.401 0.497 -8.511 827 HA SER 113 HA SER 113 10.800 2.739 -7.777 828 HB2 SER 113 1HB SER 113 11.063 0.595 -6.635 829 HB3 SER 113 2HB SER 113 11.874 -0.080 -8.048 830 HG SER 113 HG SER 113 13.495 1.563 -7.733 831 H GLY 114 H GLY 114 11.886 0.384 -10.235 832 HA2 GLY 114 1HA GLY 114 12.520 1.725 -12.375 833 HA3 GLY 114 2HA GLY 114 13.710 2.429 -11.291 834 HA PRO 115 HA PRO 115 14.953 -1.859 -13.116 835 HB2 PRO 115 1HB PRO 115 16.076 -1.141 -15.480 836 HB3 PRO 115 2HB PRO 115 14.379 -1.611 -15.328 837 HG2 PRO 115 1HG PRO 115 15.582 1.127 -15.467 838 HG3 PRO 115 2HG PRO 115 14.132 0.500 -16.272 839 HD2 PRO 115 1HD PRO 115 14.013 2.022 -14.036 840 HD3 PRO 115 2HD PRO 115 12.824 0.752 -14.391 841 H SER 116 H SER 116 16.429 -1.578 -11.355 842 HA SER 116 HA SER 116 19.096 -0.793 -12.256 843 HB2 SER 116 1HB SER 116 17.597 0.422 -9.968 844 HB3 SER 116 2HB SER 116 19.344 0.219 -9.831 845 HG SER 116 HG SER 116 17.866 1.892 -11.492 846 H SER 117 H SER 117 20.734 -2.001 -11.399 847 HA SER 117 HA SER 117 19.922 -4.167 -9.575 848 HB2 SER 117 1HB SER 117 22.162 -4.179 -11.611 849 HB3 SER 117 2HB SER 117 21.679 -5.533 -10.589 850 HG SER 117 HG SER 117 20.162 -4.292 -12.641 851 H GLY 118 H GLY 118 20.446 -2.121 -8.118 852 HA2 GLY 118 1HA GLY 118 23.315 -2.059 -7.492 853 HA3 GLY 118 2HA GLY 118 22.120 -0.892 -6.945 854 H1 MET 1 H MET 1 7.215 12.291 15.278 855 HA MET 1 HA MET 1 7.821 11.733 12.572 856 HB2 MET 1 1HB MET 1 10.279 11.504 12.793 857 HB3 MET 1 2HB MET 1 9.735 13.170 12.922 858 HG2 MET 1 1HG MET 1 9.928 13.047 15.353 859 HG3 MET 1 2HG MET 1 10.469 11.375 15.223 860 HE1 MET 1 3HE MET 1 11.977 14.195 16.536 861 HE2 MET 1 1HE MET 1 13.053 14.956 15.362 862 HE3 MET 1 2HE MET 1 11.305 15.045 15.142 863 H ASP 2 H ASP 2 8.311 9.557 12.231 864 HA ASP 2 HA ASP 2 8.432 7.867 14.637 865 HB2 ASP 2 1HB ASP 2 6.136 8.037 13.391 866 HB3 ASP 2 2HB ASP 2 6.905 6.970 12.218 867 H ASN 3 H ASN 3 10.141 6.576 14.622 868 HA ASN 3 HA ASN 3 11.401 5.945 12.039 869 HB2 ASN 3 1HB ASN 3 13.479 5.591 13.326 870 HB3 ASN 3 2HB ASN 3 12.846 7.221 13.537 871 HD21 ASN 3 1HD2 ASN 3 12.361 7.922 15.529 872 HD22 ASN 3 2HD2 ASN 3 12.480 6.966 16.963 873 H GLN 4 H GLN 4 10.819 4.544 15.264 874 HA GLN 4 HA GLN 4 11.594 1.986 14.972 875 HB2 GLN 4 1HB GLN 4 10.268 3.130 16.890 876 HB3 GLN 4 2HB GLN 4 8.847 2.505 16.065 877 HG2 GLN 4 1HG GLN 4 11.120 0.936 17.247 878 HG3 GLN 4 2HG GLN 4 9.438 0.966 17.772 879 HE21 GLN 4 1HE2 GLN 4 7.860 0.320 15.996 880 HE22 GLN 4 2HE2 GLN 4 8.295 -1.067 15.061 881 H GLY 5 H GLY 5 8.559 3.322 13.703 882 HA2 GLY 5 1HA GLY 5 8.557 1.572 11.469 883 HA3 GLY 5 2HA GLY 5 7.434 0.994 12.692 884 H VAL 6 H VAL 6 6.224 1.507 10.466 885 HA VAL 6 HA VAL 6 5.227 4.271 10.578 886 HB VAL 6 HB VAL 6 4.494 4.060 8.345 887 HG11 VAL 6 1HG1 VAL 6 6.520 3.341 7.126 888 HG12 VAL 6 2HG1 VAL 6 6.884 4.376 8.509 889 HG13 VAL 6 3HG1 VAL 6 7.137 2.634 8.619 890 HG21 VAL 6 3HG2 VAL 6 3.450 2.112 7.907 891 HG22 VAL 6 1HG2 VAL 6 5.036 1.612 7.318 892 HG23 VAL 6 2HG2 VAL 6 4.526 1.183 8.951 893 H ILE 7 H ILE 7 3.095 4.718 10.915 894 HA ILE 7 HA ILE 7 1.534 2.829 12.324 895 HB ILE 7 HB ILE 7 0.599 5.409 11.063 896 HG12 ILE 7 1HG1 ILE 7 2.593 5.564 12.639 897 HG13 ILE 7 2HG1 ILE 7 1.186 6.527 13.073 898 HG21 ILE 7 1HG2 ILE 7 -1.262 4.042 11.691 899 HG22 ILE 7 2HG2 ILE 7 -0.540 3.696 13.262 900 HG23 ILE 7 3HG2 ILE 7 -1.097 5.327 12.888 901 HD11 ILE 7 3HD1 ILE 7 2.373 5.244 14.924 902 HD12 ILE 7 1HD1 ILE 7 0.617 5.110 14.834 903 HD13 ILE 7 2HD1 ILE 7 1.635 3.802 14.228 904 H PTR 8 H PTR 8 -0.579 2.022 11.754 905 HA PTR 8 HA PTR 8 -0.966 1.683 8.853 906 HB2 PTR 8 2HB PTR 8 -1.088 -0.385 11.040 907 HB3 PTR 8 3HB PTR 8 -1.896 -0.625 9.495 908 HD1 PTR 8 1HD PTR 8 -0.745 -1.805 7.888 909 HD2 PTR 8 2HD PTR 8 1.466 0.402 10.776 910 HE1 PTR 8 1HE PTR 8 1.353 -2.648 6.917 911 HE2 PTR 8 2HE PTR 8 3.570 -0.433 9.813 912 H SER 9 H SER 9 -2.813 2.572 8.244 913 HA SER 9 HA SER 9 -4.875 3.239 10.117 914 HB2 SER 9 1HB SER 9 -4.446 3.629 7.183 915 HB3 SER 9 2HB SER 9 -6.076 3.815 7.830 916 HG SER 9 HG SER 9 -5.370 5.458 9.127 917 H ASP 10 H ASP 10 -6.119 1.678 10.925 918 HA ASP 10 HA ASP 10 -6.657 -0.792 9.707 919 HB2 ASP 10 1HB ASP 10 -7.710 0.700 12.049 920 HB3 ASP 10 2HB ASP 10 -8.720 -0.598 11.418 921 H LEU 11 H LEU 11 -9.140 -1.464 9.529 922 HA LEU 11 HA LEU 11 -10.296 0.366 7.537 923 HB2 LEU 11 1HB LEU 11 -10.412 -2.614 7.869 924 HB3 LEU 11 2HB LEU 11 -11.576 -1.752 6.864 925 HG LEU 11 HG LEU 11 -10.041 -1.306 5.227 926 HD11 LEU 11 1HD1 LEU 11 -8.473 -0.070 6.574 927 HD12 LEU 11 2HD1 LEU 11 -7.599 -1.244 5.592 928 HD13 LEU 11 3HD1 LEU 11 -7.873 -1.559 7.306 929 HD21 LEU 11 3HD2 LEU 11 -8.329 -3.523 5.890 930 HD22 LEU 11 1HD2 LEU 11 -9.551 -3.387 4.625 931 HD23 LEU 11 2HD2 LEU 11 -10.015 -3.907 6.244 932 H ASN 12 H ASN 12 -12.828 -0.401 7.328 933 HA ASN 12 HA ASN 12 -13.977 0.493 9.835 934 HB2 ASN 12 1HB ASN 12 -15.896 1.029 8.629 935 HB3 ASN 12 2HB ASN 12 -14.624 1.267 7.433 936 HD21 ASN 12 1HD2 ASN 12 -14.170 -0.616 6.022 937 HD22 ASN 12 2HD2 ASN 12 -15.512 -1.571 5.499 938 H LEU 13 H LEU 13 -14.512 -2.229 7.596 939 HA LEU 13 HA LEU 13 -16.366 -3.700 8.888 940 HB2 LEU 13 1HB LEU 13 -13.967 -5.212 8.020 941 HB3 LEU 13 2HB LEU 13 -15.671 -5.506 7.683 942 HG LEU 13 HG LEU 13 -15.393 -3.325 6.214 943 HD11 LEU 13 1HD1 LEU 13 -12.654 -4.487 5.900 944 HD12 LEU 13 2HD1 LEU 13 -12.959 -3.191 7.054 945 HD13 LEU 13 3HD1 LEU 13 -13.280 -2.937 5.339 946 HD21 LEU 13 3HD2 LEU 13 -14.386 -6.034 5.349 947 HD22 LEU 13 1HD2 LEU 13 -14.986 -4.753 4.294 948 HD23 LEU 13 2HD2 LEU 13 -16.080 -5.547 5.427 949 HA PRO 14 HA PRO 14 -13.037 -5.602 11.859 950 HB2 PRO 14 1HB PRO 14 -10.701 -4.237 12.080 951 HB3 PRO 14 2HB PRO 14 -10.950 -5.530 10.900 952 HG2 PRO 14 1HG PRO 14 -11.084 -2.565 10.516 953 HG3 PRO 14 2HG PRO 14 -10.343 -3.795 9.477 954 HD2 PRO 14 1HD PRO 14 -12.772 -2.720 8.956 955 HD3 PRO 14 2HD PRO 14 -12.359 -4.394 8.534 956 HA PRO 15 HA PRO 15 -14.169 -2.917 15.162 957 HB2 PRO 15 1HB PRO 15 -12.775 -4.049 17.198 958 HB3 PRO 15 2HB PRO 15 -14.213 -4.791 16.490 959 HG2 PRO 15 1HG PRO 15 -11.326 -5.387 15.972 960 HG3 PRO 15 2HG PRO 15 -12.679 -6.512 16.188 961 HD2 PRO 15 1HD PRO 15 -11.697 -5.864 13.748 962 HD3 PRO 15 2HD PRO 15 -13.410 -6.246 14.018 Start of MODEL 11 1 H1 GLY 1 H GLY 1 14.997 -14.127 -9.732 2 HA2 GLY 1 1HA GLY 1 17.480 -13.178 -8.939 3 HA3 GLY 1 2HA GLY 1 17.786 -14.344 -10.216 4 H SER 2 H SER 2 16.504 -14.002 -12.253 5 HA SER 2 HA SER 2 16.815 -11.250 -13.058 6 HB2 SER 2 1HB SER 2 16.384 -12.045 -15.303 7 HB3 SER 2 2HB SER 2 17.484 -13.172 -14.510 8 HG SER 2 HG SER 2 15.048 -13.634 -15.548 9 H SER 3 H SER 3 15.263 -9.771 -13.379 10 HA SER 3 HA SER 3 12.553 -10.452 -12.576 11 HB2 SER 3 1HB SER 3 13.932 -7.825 -13.141 12 HB3 SER 3 2HB SER 3 12.210 -7.944 -12.785 13 HG SER 3 HG SER 3 14.360 -8.743 -11.113 14 H GLY 4 H GLY 4 10.821 -10.552 -13.893 15 HA2 GLY 4 1HA GLY 4 11.304 -10.026 -16.759 16 HA3 GLY 4 2HA GLY 4 10.218 -11.267 -16.151 17 H SER 5 H SER 5 8.239 -10.598 -15.123 18 HA SER 5 HA SER 5 6.982 -8.457 -16.514 19 HB2 SER 5 1HB SER 5 6.092 -10.306 -14.307 20 HB3 SER 5 2HB SER 5 5.058 -9.005 -14.896 21 HG SER 5 HG SER 5 5.686 -11.405 -16.053 22 H SER 6 H SER 6 6.826 -6.381 -15.984 23 HA SER 6 HA SER 6 7.903 -5.494 -13.429 24 HB2 SER 6 1HB SER 6 7.008 -3.909 -15.849 25 HB3 SER 6 2HB SER 6 7.793 -3.234 -14.421 26 HG SER 6 HG SER 6 9.619 -3.768 -15.284 27 H GLY 7 H GLY 7 6.265 -6.062 -11.983 28 HA2 GLY 7 1HA GLY 7 3.620 -4.865 -12.411 29 HA3 GLY 7 2HA GLY 7 4.013 -6.096 -11.219 30 H TRP 8 H TRP 8 3.273 -5.091 -9.409 31 HA TRP 8 HA TRP 8 4.578 -2.542 -8.708 32 HB2 TRP 8 1HB TRP 8 2.419 -2.495 -7.108 33 HB3 TRP 8 2HB TRP 8 2.420 -1.813 -8.732 34 HD1 TRP 8 HD TRP 8 0.308 -2.456 -10.002 35 HE1 TRP 8 1HE TRP 8 -1.247 -4.504 -10.102 36 HE3 TRP 8 3HE TRP 8 2.673 -5.436 -6.587 37 HZ2 TRP 8 2HZ TRP 8 -1.444 -7.047 -8.893 38 HZ3 TRP 8 3HZ TRP 8 1.736 -7.662 -6.116 39 HH2 TRP 8 HH TRP 8 -0.280 -8.448 -7.245 40 H TYR 9 H TYR 9 5.401 -5.358 -8.215 41 HA TYR 9 HA TYR 9 5.157 -5.549 -5.305 42 HB2 TYR 9 1HB TYR 9 4.877 -7.514 -7.031 43 HB3 TYR 9 2HB TYR 9 6.634 -7.555 -6.964 44 HD1 TYR 9 1HD TYR 9 3.571 -7.833 -4.896 45 HD2 TYR 9 2HD TYR 9 7.755 -8.563 -5.147 46 HE1 TYR 9 1HE TYR 9 3.454 -9.182 -2.842 47 HE2 TYR 9 2HE TYR 9 7.650 -9.913 -3.095 48 HH TYR 9 HH TYR 9 6.127 -11.094 -1.744 49 H HIS 10 H HIS 10 6.653 -4.602 -4.105 50 HA HIS 10 HA HIS 10 9.390 -4.378 -5.173 51 HB2 HIS 10 1HB HIS 10 7.837 -2.574 -3.321 52 HB3 HIS 10 2HB HIS 10 9.587 -2.466 -3.493 53 HD1 HIS 10 1HD HIS 10 10.486 -1.267 -5.529 54 HD2 HIS 10 2HD HIS 10 6.374 -1.844 -5.671 55 HE1 HIS 10 1HE HIS 10 9.684 0.096 -7.483 56 HE2 HIS 10 2HE HIS 10 7.183 -0.200 -7.498 57 H GLY 11 H GLY 11 9.630 -6.609 -4.317 58 HA2 GLY 11 1HA GLY 11 9.478 -7.172 -1.552 59 HA3 GLY 11 2HA GLY 11 10.391 -8.093 -2.738 60 H HIS 12 H HIS 12 11.373 -7.808 -0.207 61 HA HIS 12 HA HIS 12 13.270 -7.265 0.924 62 HB2 HIS 12 1HB HIS 12 14.230 -6.259 -1.763 63 HB3 HIS 12 2HB HIS 12 15.244 -6.610 -0.365 64 HD1 HIS 12 1HD HIS 12 15.397 -9.181 0.329 65 HD2 HIS 12 2HD HIS 12 13.679 -8.406 -3.373 66 HE1 HIS 12 1HE HIS 12 15.421 -11.377 -0.895 67 HE2 HIS 12 2HE HIS 12 14.455 -10.865 -3.165 68 H MET 13 H MET 13 11.090 -5.380 0.781 69 HA MET 13 HA MET 13 12.577 -2.860 1.136 70 HB2 MET 13 1HB MET 13 11.092 -2.575 -0.710 71 HB3 MET 13 2HB MET 13 9.762 -3.331 0.159 72 HG2 MET 13 1HG MET 13 9.849 -1.419 1.771 73 HG3 MET 13 2HG MET 13 11.005 -0.647 0.688 74 HE1 MET 13 3HE MET 13 9.310 1.043 -1.811 75 HE2 MET 13 1HE MET 13 10.751 0.133 -1.357 76 HE3 MET 13 2HE MET 13 9.586 -0.566 -2.482 77 H SER 14 H SER 14 11.827 -1.442 2.823 78 HA SER 14 HA SER 14 10.599 -2.929 5.047 79 HB2 SER 14 1HB SER 14 12.547 -0.619 5.030 80 HB3 SER 14 2HB SER 14 11.721 -1.172 6.487 81 HG SER 14 HG SER 14 13.040 -3.085 4.947 82 H GLY 15 H GLY 15 9.222 -1.714 6.525 83 HA2 GLY 15 1HA GLY 15 7.114 -0.424 5.283 84 HA3 GLY 15 2HA GLY 15 7.474 -0.304 6.999 85 H GLY 16 H GLY 16 9.280 1.279 7.541 86 HA2 GLY 16 1HA GLY 16 8.567 3.847 6.940 87 HA3 GLY 16 2HA GLY 16 10.192 3.392 7.433 88 H GLN 17 H GLN 17 10.428 1.693 4.958 89 HA GLN 17 HA GLN 17 11.668 3.650 3.323 90 HB2 GLN 17 1HB GLN 17 12.087 1.051 3.594 91 HB3 GLN 17 2HB GLN 17 10.971 0.958 2.238 92 HG2 GLN 17 1HG GLN 17 13.388 0.990 1.624 93 HG3 GLN 17 2HG GLN 17 12.404 2.232 0.852 94 HE21 GLN 17 1HE2 GLN 17 13.765 3.866 0.547 95 HE22 GLN 17 2HE2 GLN 17 14.725 4.612 1.774 96 H ALA 18 H ALA 18 8.960 1.457 2.546 97 HA ALA 18 HA ALA 18 8.120 2.358 0.171 98 HB1 ALA 18 1HB ALA 18 6.801 1.169 2.460 99 HB2 ALA 18 2HB ALA 18 5.711 2.196 1.528 100 HB3 ALA 18 3HB ALA 18 6.563 0.870 0.737 101 H GLU 19 H GLU 19 7.366 3.956 3.255 102 HA GLU 19 HA GLU 19 5.724 5.979 2.370 103 HB2 GLU 19 1HB GLU 19 7.643 5.698 4.621 104 HB3 GLU 19 2HB GLU 19 7.070 7.319 4.257 105 HG2 GLU 19 1HG GLU 19 4.760 6.553 4.499 106 HG3 GLU 19 2HG GLU 19 5.343 4.935 4.883 107 H THR 20 H THR 20 9.273 5.959 2.461 108 HA THR 20 HA THR 20 9.647 8.564 1.467 109 HB THR 20 HB THR 20 11.495 6.187 1.173 110 HG1 THR 20 1HG THR 20 12.473 7.278 3.073 111 HG21 THR 20 3HG2 THR 20 11.798 9.115 0.678 112 HG22 THR 20 1HG2 THR 20 12.427 7.749 -0.241 113 HG23 THR 20 2HG2 THR 20 13.178 8.202 1.288 114 H LEU 21 H LEU 21 10.055 5.469 -0.267 115 HA LEU 21 HA LEU 21 10.416 6.440 -2.807 116 HB2 LEU 21 1HB LEU 21 8.812 3.994 -2.079 117 HB3 LEU 21 2HB LEU 21 9.589 4.313 -3.629 118 HG LEU 21 HG LEU 21 11.757 4.404 -2.110 119 HD11 LEU 21 1HD1 LEU 21 10.931 2.195 -0.581 120 HD12 LEU 21 2HD1 LEU 21 9.740 3.467 -0.311 121 HD13 LEU 21 3HD1 LEU 21 11.449 3.781 -0.007 122 HD21 LEU 21 3HD2 LEU 21 10.316 2.154 -3.402 123 HD22 LEU 21 1HD2 LEU 21 11.728 1.771 -2.418 124 HD23 LEU 21 2HD2 LEU 21 11.881 2.870 -3.789 125 H LEU 22 H LEU 22 7.334 5.770 -1.182 126 HA LEU 22 HA LEU 22 5.684 6.465 -3.369 127 HB2 LEU 22 1HB LEU 22 5.276 6.148 -0.431 128 HB3 LEU 22 2HB LEU 22 4.002 6.877 -1.405 129 HG LEU 22 HG LEU 22 5.164 4.142 -1.920 130 HD11 LEU 22 1HD1 LEU 22 4.067 4.177 0.251 131 HD12 LEU 22 2HD1 LEU 22 3.110 3.269 -0.918 132 HD13 LEU 22 3HD1 LEU 22 2.633 4.907 -0.470 133 HD21 LEU 22 3HD2 LEU 22 3.137 3.871 -3.289 134 HD22 LEU 22 1HD2 LEU 22 4.174 5.168 -3.879 135 HD23 LEU 22 2HD2 LEU 22 2.712 5.553 -2.971 136 H GLN 23 H GLN 23 6.278 8.285 -0.355 137 HA GLN 23 HA GLN 23 5.058 10.645 -1.025 138 HB2 GLN 23 1HB GLN 23 7.447 10.032 0.681 139 HB3 GLN 23 2HB GLN 23 6.944 11.699 0.436 140 HG2 GLN 23 1HG GLN 23 4.723 11.143 1.317 141 HG3 GLN 23 2HG GLN 23 5.265 9.489 1.599 142 HE21 GLN 23 1HE2 GLN 23 4.259 11.027 3.636 143 HE22 GLN 23 2HE2 GLN 23 5.523 11.410 4.750 144 H ALA 24 H ALA 24 8.533 9.957 -1.468 145 HA ALA 24 HA ALA 24 9.394 12.194 -2.712 146 HB1 ALA 24 1HB ALA 24 10.943 10.731 -4.033 147 HB2 ALA 24 2HB ALA 24 10.922 10.417 -2.298 148 HB3 ALA 24 3HB ALA 24 10.063 9.339 -3.398 149 H LYS 25 H LYS 25 7.538 9.591 -4.224 150 HA LYS 25 HA LYS 25 7.648 10.512 -6.868 151 HB2 LYS 25 1HB LYS 25 6.845 8.264 -6.174 152 HB3 LYS 25 2HB LYS 25 5.386 9.011 -5.536 153 HG2 LYS 25 1HG LYS 25 4.661 8.303 -7.587 154 HG3 LYS 25 2HG LYS 25 5.155 9.957 -7.958 155 HD2 LYS 25 1HD LYS 25 7.470 8.777 -8.445 156 HD3 LYS 25 2HD LYS 25 6.432 7.372 -8.701 157 HE2 LYS 25 1HE LYS 25 5.254 8.439 -10.444 158 HE3 LYS 25 2HE LYS 25 5.912 10.020 -10.026 159 HZ1 LYS 25 3HZ LYS 25 8.158 8.859 -10.565 160 HZ2 LYS 25 1HZ LYS 25 7.188 9.448 -11.821 161 HZ3 LYS 25 2HZ LYS 25 7.190 7.796 -11.456 162 H GLY 26 H GLY 26 5.392 11.249 -4.241 163 HA2 GLY 26 1HA GLY 26 4.019 13.074 -3.941 164 HA3 GLY 26 2HA GLY 26 4.792 13.813 -5.335 165 H GLU 27 H GLU 27 3.630 10.760 -6.103 166 HA GLU 27 HA GLU 27 1.432 11.941 -7.605 167 HB2 GLU 27 1HB GLU 27 2.931 9.357 -7.730 168 HB3 GLU 27 2HB GLU 27 1.327 9.447 -8.441 169 HG2 GLU 27 1HG GLU 27 2.315 11.592 -9.592 170 HG3 GLU 27 2HG GLU 27 3.848 10.784 -9.268 171 HA PRO 28 HA PRO 28 -1.442 10.636 -4.460 172 HB2 PRO 28 1HB PRO 28 -3.667 11.509 -5.746 173 HB3 PRO 28 2HB PRO 28 -2.564 12.594 -4.892 174 HG2 PRO 28 1HG PRO 28 -2.745 11.998 -7.819 175 HG3 PRO 28 2HG PRO 28 -2.524 13.558 -7.007 176 HD2 PRO 28 1HD PRO 28 -0.470 12.193 -8.124 177 HD3 PRO 28 2HD PRO 28 -0.267 13.213 -6.685 178 H TRP 29 H TRP 29 -2.667 8.842 -4.152 179 HA TRP 29 HA TRP 29 -3.786 6.900 -4.567 180 HB2 TRP 29 1HB TRP 29 -3.953 7.649 -7.480 181 HB3 TRP 29 2HB TRP 29 -5.052 6.640 -6.543 182 HD1 TRP 29 HD TRP 29 -5.368 9.669 -8.194 183 HE1 TRP 29 1HE TRP 29 -6.861 11.381 -6.983 184 HE3 TRP 29 3HE TRP 29 -5.347 7.602 -3.518 185 HZ2 TRP 29 2HZ TRP 29 -7.894 11.800 -4.390 186 HZ3 TRP 29 3HZ TRP 29 -6.613 8.720 -1.729 187 HH2 TRP 29 HH TRP 29 -7.858 10.776 -2.157 188 H THR 30 H THR 30 -0.891 7.187 -4.805 189 HA THR 30 HA THR 30 -0.170 5.258 -6.874 190 HB THR 30 HB THR 30 1.576 6.786 -4.936 191 HG1 THR 30 1HG THR 30 0.527 8.016 -6.640 192 HG21 THR 30 3HG2 THR 30 2.161 4.720 -7.006 193 HG22 THR 30 1HG2 THR 30 2.911 4.980 -5.431 194 HG23 THR 30 2HG2 THR 30 3.304 6.044 -6.782 195 H PHE 31 H PHE 31 -0.754 3.244 -6.250 196 HA PHE 31 HA PHE 31 -0.189 2.355 -3.530 197 HB2 PHE 31 1HB PHE 31 -1.571 0.481 -3.984 198 HB3 PHE 31 2HB PHE 31 -2.375 1.857 -4.731 199 HD1 PHE 31 1HD PHE 31 -2.252 2.162 -7.192 200 HD2 PHE 31 2HD PHE 31 -0.817 -1.352 -5.266 201 HE1 PHE 31 1HE PHE 31 -2.293 0.971 -9.345 202 HE2 PHE 31 2HE PHE 31 -0.855 -2.548 -7.416 203 HZ PHE 31 HZ PHE 31 -1.593 -1.387 -9.458 204 H LEU 32 H LEU 32 0.945 0.347 -3.137 205 HA LEU 32 HA LEU 32 2.552 -0.819 -5.209 206 HB2 LEU 32 1HB LEU 32 4.651 -0.080 -4.626 207 HB3 LEU 32 2HB LEU 32 3.681 1.381 -4.450 208 HG LEU 32 HG LEU 32 3.554 0.682 -1.949 209 HD11 LEU 32 1HD1 LEU 32 4.620 -1.197 -1.434 210 HD12 LEU 32 2HD1 LEU 32 6.131 -0.354 -1.776 211 HD13 LEU 32 3HD1 LEU 32 5.344 -1.302 -3.039 212 HD21 LEU 32 3HD2 LEU 32 6.266 1.586 -2.814 213 HD22 LEU 32 1HD2 LEU 32 5.258 2.167 -1.489 214 HD23 LEU 32 2HD2 LEU 32 4.856 2.588 -3.155 215 H VAL 33 H VAL 33 3.112 -2.862 -4.697 216 HA VAL 33 HA VAL 33 2.321 -3.842 -2.066 217 HB VAL 33 HB VAL 33 3.190 -5.424 -4.487 218 HG11 VAL 33 1HG1 VAL 33 1.689 -6.319 -2.031 219 HG12 VAL 33 2HG1 VAL 33 2.245 -7.330 -3.365 220 HG13 VAL 33 3HG1 VAL 33 3.416 -6.561 -2.292 221 HG21 VAL 33 3HG2 VAL 33 1.240 -4.443 -5.233 222 HG22 VAL 33 1HG2 VAL 33 0.628 -5.916 -4.480 223 HG23 VAL 33 2HG2 VAL 33 0.529 -4.379 -3.620 224 H ARG 34 H ARG 34 3.674 -5.122 -0.756 225 HA ARG 34 HA ARG 34 6.433 -5.537 -1.415 226 HB2 ARG 34 1HB ARG 34 7.369 -4.141 0.379 227 HB3 ARG 34 2HB ARG 34 6.543 -3.173 -0.836 228 HG2 ARG 34 1HG ARG 34 4.649 -2.876 0.603 229 HG3 ARG 34 2HG ARG 34 5.321 -3.999 1.787 230 HD2 ARG 34 1HD ARG 34 7.220 -2.474 2.126 231 HD3 ARG 34 2HD ARG 34 6.506 -1.348 0.972 232 HE ARG 34 HE ARG 34 5.071 -0.644 2.608 233 HH11 ARG 34 2HH1 ARG 34 6.480 -3.681 3.563 234 HH12 ARG 34 1HH1 ARG 34 5.810 -3.638 5.160 235 HH21 ARG 34 2HH2 ARG 34 4.183 -0.576 4.708 236 HH22 ARG 34 1HH2 ARG 34 4.502 -1.873 5.810 237 H GLU 35 H GLU 35 7.397 -7.042 -0.092 238 HA GLU 35 HA GLU 35 5.757 -8.786 1.347 239 HB2 GLU 35 1HB GLU 35 8.695 -8.443 1.013 240 HB3 GLU 35 2HB GLU 35 8.141 -9.456 2.339 241 HG2 GLU 35 1HG GLU 35 6.757 -10.703 0.626 242 HG3 GLU 35 2HG GLU 35 7.675 -9.830 -0.601 243 H SER 36 H SER 36 5.942 -9.372 3.645 244 HA SER 36 HA SER 36 6.190 -6.957 5.312 245 HB2 SER 36 1HB SER 36 4.685 -8.300 6.904 246 HB3 SER 36 2HB SER 36 3.945 -7.686 5.427 247 HG SER 36 HG SER 36 4.699 -10.319 6.079 248 H LEU 37 H LEU 37 8.449 -7.270 5.615 249 HA LEU 37 HA LEU 37 9.880 -9.423 6.356 250 HB2 LEU 37 1HB LEU 37 10.036 -6.735 7.713 251 HB3 LEU 37 2HB LEU 37 11.304 -7.960 7.699 252 HG LEU 37 HG LEU 37 10.308 -6.825 5.118 253 HD11 LEU 37 1HD1 LEU 37 12.667 -5.480 6.085 254 HD12 LEU 37 2HD1 LEU 37 11.292 -5.200 7.153 255 HD13 LEU 37 3HD1 LEU 37 11.171 -4.806 5.438 256 HD21 LEU 37 3HD2 LEU 37 12.747 -7.217 4.567 257 HD22 LEU 37 1HD2 LEU 37 11.774 -8.657 4.868 258 HD23 LEU 37 2HD2 LEU 37 12.866 -8.054 6.116 259 H SER 38 H SER 38 8.397 -7.318 8.829 260 HA SER 38 HA SER 38 8.802 -8.687 11.090 261 HB2 SER 38 1HB SER 38 6.435 -7.165 10.108 262 HB3 SER 38 2HB SER 38 6.252 -8.087 11.599 263 HG SER 38 HG SER 38 8.183 -6.079 11.058 264 H GLN 39 H GLN 39 5.685 -9.246 9.478 265 HA GLN 39 HA GLN 39 5.625 -11.941 10.558 266 HB2 GLN 39 1HB GLN 39 3.664 -10.180 10.372 267 HB3 GLN 39 2HB GLN 39 3.489 -10.871 8.765 268 HG2 GLN 39 1HG GLN 39 2.023 -12.138 9.998 269 HG3 GLN 39 2HG GLN 39 3.474 -13.139 10.012 270 HE21 GLN 39 1HE2 GLN 39 2.242 -10.377 11.877 271 HE22 GLN 39 2HE2 GLN 39 2.533 -11.079 13.429 272 HA PRO 40 HA PRO 40 7.370 -13.398 6.680 273 HB2 PRO 40 1HB PRO 40 7.740 -15.947 7.541 274 HB3 PRO 40 2HB PRO 40 8.841 -14.625 7.949 275 HG2 PRO 40 1HG PRO 40 6.637 -15.826 9.580 276 HG3 PRO 40 2HG PRO 40 8.270 -15.350 10.084 277 HD2 PRO 40 1HD PRO 40 6.093 -13.809 10.554 278 HD3 PRO 40 2HD PRO 40 7.704 -13.122 10.256 279 H GLY 41 H GLY 41 5.877 -13.610 5.114 280 HA2 GLY 41 1HA GLY 41 4.659 -15.443 3.944 281 HA3 GLY 41 2HA GLY 41 3.816 -15.700 5.465 282 H ASP 42 H ASP 42 3.157 -13.182 6.247 283 HA ASP 42 HA ASP 42 0.919 -12.618 4.603 284 HB2 ASP 42 1HB ASP 42 2.146 -11.087 6.903 285 HB3 ASP 42 2HB ASP 42 0.627 -10.644 6.131 286 H PHE 43 H PHE 43 0.537 -10.089 4.169 287 HA PHE 43 HA PHE 43 2.900 -8.963 2.856 288 HB2 PHE 43 1HB PHE 43 0.227 -9.225 1.468 289 HB3 PHE 43 2HB PHE 43 1.710 -8.560 0.789 290 HD1 PHE 43 1HD PHE 43 0.598 -11.705 2.471 291 HD2 PHE 43 2HD PHE 43 2.845 -9.909 -0.667 292 HE1 PHE 43 1HE PHE 43 1.211 -13.937 1.637 293 HE2 PHE 43 2HE PHE 43 3.461 -12.139 -1.507 294 HZ PHE 43 HZ PHE 43 2.644 -14.156 -0.355 295 H VAL 44 H VAL 44 2.309 -6.704 1.948 296 HA VAL 44 HA VAL 44 0.354 -5.345 3.657 297 HB VAL 44 HB VAL 44 3.244 -4.519 3.368 298 HG11 VAL 44 1HG1 VAL 44 2.266 -2.764 5.132 299 HG12 VAL 44 2HG1 VAL 44 2.318 -2.449 3.397 300 HG13 VAL 44 3HG1 VAL 44 0.823 -3.008 4.149 301 HG21 VAL 44 3HG2 VAL 44 1.784 -6.020 5.351 302 HG22 VAL 44 1HG2 VAL 44 3.517 -5.715 5.224 303 HG23 VAL 44 2HG2 VAL 44 2.477 -4.556 6.051 304 H LEU 45 H LEU 45 -0.485 -3.429 2.810 305 HA LEU 45 HA LEU 45 0.254 -2.862 0.014 306 HB2 LEU 45 1HB LEU 45 -1.864 -3.934 -0.021 307 HB3 LEU 45 2HB LEU 45 -2.459 -2.943 1.310 308 HG LEU 45 HG LEU 45 -2.324 -0.963 -0.227 309 HD11 LEU 45 1HD1 LEU 45 -2.273 -2.855 -2.523 310 HD12 LEU 45 2HD1 LEU 45 -0.744 -2.364 -1.793 311 HD13 LEU 45 3HD1 LEU 45 -1.837 -1.147 -2.452 312 HD21 LEU 45 3HD2 LEU 45 -4.383 -1.515 -1.412 313 HD22 LEU 45 1HD2 LEU 45 -4.431 -2.107 0.249 314 HD23 LEU 45 2HD2 LEU 45 -4.127 -3.228 -1.078 315 H SER 46 H SER 46 1.008 -0.882 -0.287 316 HA SER 46 HA SER 46 0.268 1.214 1.647 317 HB2 SER 46 1HB SER 46 2.745 1.110 -0.089 318 HB3 SER 46 2HB SER 46 2.398 2.272 1.191 319 HG SER 46 HG SER 46 3.271 -0.352 1.359 320 H VAL 47 H VAL 47 -0.296 3.256 0.907 321 HA VAL 47 HA VAL 47 -0.424 3.745 -1.958 322 HB VAL 47 HB VAL 47 -2.906 3.758 -0.235 323 HG11 VAL 47 1HG1 VAL 47 -3.234 5.557 -1.653 324 HG12 VAL 47 2HG1 VAL 47 -2.336 4.812 -2.976 325 HG13 VAL 47 3HG1 VAL 47 -3.949 4.228 -2.564 326 HG21 VAL 47 3HG2 VAL 47 -2.368 1.518 -0.879 327 HG22 VAL 47 1HG2 VAL 47 -3.694 2.071 -1.903 328 HG23 VAL 47 2HG2 VAL 47 -2.051 2.015 -2.542 329 H LEU 48 H LEU 48 -0.136 5.845 -2.440 330 HA LEU 48 HA LEU 48 0.203 7.705 -0.228 331 HB2 LEU 48 1HB LEU 48 1.857 7.400 -2.134 332 HB3 LEU 48 2HB LEU 48 0.690 8.248 -3.144 333 HG LEU 48 HG LEU 48 0.882 10.205 -1.617 334 HD11 LEU 48 1HD1 LEU 48 1.611 9.177 0.405 335 HD12 LEU 48 2HD1 LEU 48 2.899 10.250 -0.141 336 HD13 LEU 48 3HD1 LEU 48 3.042 8.509 -0.381 337 HD21 LEU 48 3HD2 LEU 48 3.494 9.297 -2.820 338 HD22 LEU 48 1HD2 LEU 48 3.004 10.958 -2.485 339 HD23 LEU 48 2HD2 LEU 48 2.162 10.022 -3.721 340 H SER 49 H SER 49 -1.789 8.375 0.429 341 HA SER 49 HA SER 49 -3.977 8.935 -1.227 342 HB2 SER 49 1HB SER 49 -4.825 10.255 0.744 343 HB3 SER 49 2HB SER 49 -4.332 8.606 1.127 344 HG SER 49 HG SER 49 -2.181 9.883 1.511 345 H ASP 50 H ASP 50 -4.932 10.984 -1.774 346 HA ASP 50 HA ASP 50 -3.001 12.825 -2.829 347 HB2 ASP 50 1HB ASP 50 -4.868 12.492 -4.219 348 HB3 ASP 50 2HB ASP 50 -6.005 12.670 -2.886 349 H GLN 51 H GLN 51 -4.110 12.456 0.199 350 HA GLN 51 HA GLN 51 -4.530 15.265 0.820 351 HB2 GLN 51 1HB GLN 51 -4.424 12.901 2.697 352 HB3 GLN 51 2HB GLN 51 -5.017 14.513 3.073 353 HG2 GLN 51 1HG GLN 51 -6.961 14.227 1.869 354 HG3 GLN 51 2HG GLN 51 -6.275 12.948 0.868 355 HE21 GLN 51 1HE2 GLN 51 -7.937 11.522 1.262 356 HE22 GLN 51 2HE2 GLN 51 -8.171 10.757 2.794 357 HA PRO 52 HA PRO 52 -0.143 15.743 1.524 358 HB2 PRO 52 1HB PRO 52 -0.269 18.388 2.124 359 HB3 PRO 52 2HB PRO 52 -0.342 17.773 0.467 360 HG2 PRO 52 1HG PRO 52 -2.572 18.639 2.268 361 HG3 PRO 52 2HG PRO 52 -2.332 18.974 0.543 362 HD2 PRO 52 1HD PRO 52 -4.024 17.056 1.431 363 HD3 PRO 52 2HD PRO 52 -3.137 16.912 -0.099 364 H LYS 53 H LYS 53 1.123 15.716 3.321 365 HA LYS 53 HA LYS 53 0.120 15.094 5.802 366 HB2 LYS 53 1HB LYS 53 2.744 16.090 4.819 367 HB3 LYS 53 2HB LYS 53 2.466 16.132 6.555 368 HG2 LYS 53 1HG LYS 53 1.730 13.655 6.215 369 HG3 LYS 53 2HG LYS 53 2.668 13.787 4.725 370 HD2 LYS 53 1HD LYS 53 4.277 13.044 6.192 371 HD3 LYS 53 2HD LYS 53 4.488 14.792 6.322 372 HE2 LYS 53 1HE LYS 53 3.365 14.882 8.381 373 HE3 LYS 53 2HE LYS 53 2.665 13.278 8.166 374 HZ1 LYS 53 3HZ LYS 53 4.340 12.640 9.483 375 HZ2 LYS 53 1HZ LYS 53 5.252 14.036 9.198 376 HZ3 LYS 53 2HZ LYS 53 5.298 12.756 8.094 377 H ALA 54 H ALA 54 1.261 18.283 4.709 378 HA ALA 54 HA ALA 54 -0.277 19.482 6.921 379 HB1 ALA 54 1HB ALA 54 2.484 19.733 6.332 380 HB2 ALA 54 2HB ALA 54 1.718 21.292 6.019 381 HB3 ALA 54 3HB ALA 54 1.553 20.530 7.601 382 H GLY 55 H GLY 55 1.035 20.138 3.670 383 HA2 GLY 55 1HA GLY 55 -1.434 21.019 2.628 384 HA3 GLY 55 2HA GLY 55 -0.492 22.417 3.126 385 HA PRO 56 HA PRO 56 0.734 21.736 -1.209 386 HB2 PRO 56 1HB PRO 56 1.305 24.349 -1.672 387 HB3 PRO 56 2HB PRO 56 -0.334 23.692 -1.770 388 HG2 PRO 56 1HG PRO 56 0.973 25.198 0.463 389 HG3 PRO 56 2HG PRO 56 -0.664 25.371 -0.197 390 HD2 PRO 56 1HD PRO 56 -0.148 24.009 2.086 391 HD3 PRO 56 2HD PRO 56 -1.465 23.560 0.983 392 H GLY 57 H GLY 57 2.615 20.578 -0.555 393 HA2 GLY 57 1HA GLY 57 5.032 21.293 -1.264 394 HA3 GLY 57 2HA GLY 57 4.934 22.176 0.253 395 H SER 58 H SER 58 3.348 20.106 1.572 396 HA SER 58 HA SER 58 5.535 18.483 2.476 397 HB2 SER 58 1HB SER 58 4.110 17.779 4.212 398 HB3 SER 58 2HB SER 58 3.591 19.431 3.882 399 HG SER 58 HG SER 58 2.082 18.201 2.331 400 HA PRO 59 HA PRO 59 4.961 14.888 0.024 401 HB2 PRO 59 1HB PRO 59 5.691 12.945 1.774 402 HB3 PRO 59 2HB PRO 59 6.851 14.051 1.029 403 HG2 PRO 59 1HG PRO 59 5.610 14.161 3.751 404 HG3 PRO 59 2HG PRO 59 7.293 14.456 3.275 405 HD2 PRO 59 1HD PRO 59 5.544 16.464 3.761 406 HD3 PRO 59 2HD PRO 59 6.849 16.603 2.566 407 H LEU 60 H LEU 60 3.016 14.154 -0.550 408 HA LEU 60 HA LEU 60 0.695 14.007 0.751 409 HB2 LEU 60 1HB LEU 60 1.861 12.115 -1.253 410 HB3 LEU 60 2HB LEU 60 0.246 11.844 -0.602 411 HG LEU 60 HG LEU 60 1.155 14.268 -2.152 412 HD11 LEU 60 1HD1 LEU 60 -0.705 13.304 -3.694 413 HD12 LEU 60 2HD1 LEU 60 -0.347 11.789 -2.867 414 HD13 LEU 60 3HD1 LEU 60 0.923 12.630 -3.756 415 HD21 LEU 60 3HD2 LEU 60 -0.489 14.958 -0.569 416 HD22 LEU 60 1HD2 LEU 60 -1.496 13.551 -0.914 417 HD23 LEU 60 2HD2 LEU 60 -1.288 14.808 -2.135 418 H ARG 61 H ARG 61 -0.501 12.476 1.959 419 HA ARG 61 HA ARG 61 1.025 11.155 3.976 420 HB2 ARG 61 1HB ARG 61 -1.394 12.241 4.026 421 HB3 ARG 61 2HB ARG 61 -1.885 10.602 3.620 422 HG2 ARG 61 1HG ARG 61 -1.987 10.473 5.884 423 HG3 ARG 61 2HG ARG 61 -0.301 10.008 5.649 424 HD2 ARG 61 1HD ARG 61 -0.025 11.602 7.254 425 HD3 ARG 61 2HD ARG 61 0.063 12.623 5.819 426 HE ARG 61 HE ARG 61 -1.899 13.615 6.451 427 HH11 ARG 61 2HH1 ARG 61 -1.503 10.647 8.224 428 HH12 ARG 61 1HH1 ARG 61 -2.857 10.935 9.266 429 HH21 ARG 61 2HH2 ARG 61 -3.685 14.007 7.815 430 HH22 ARG 61 1HH2 ARG 61 -4.098 12.847 9.031 431 H VAL 62 H VAL 62 1.233 8.962 4.397 432 HA VAL 62 HA VAL 62 0.663 7.201 2.104 433 HB VAL 62 HB VAL 62 2.758 6.793 4.239 434 HG11 VAL 62 1HG1 VAL 62 1.824 4.776 3.058 435 HG12 VAL 62 2HG1 VAL 62 2.496 5.436 1.565 436 HG13 VAL 62 3HG1 VAL 62 3.565 5.007 2.901 437 HG21 VAL 62 3HG2 VAL 62 4.103 8.181 3.144 438 HG22 VAL 62 1HG2 VAL 62 3.867 7.262 1.656 439 HG23 VAL 62 2HG2 VAL 62 2.778 8.591 2.055 440 H THR 63 H THR 63 -0.765 5.625 2.383 441 HA THR 63 HA THR 63 -1.616 4.970 5.117 442 HB THR 63 HB THR 63 -3.037 4.424 2.503 443 HG1 THR 63 1HG THR 63 -4.024 6.289 2.814 444 HG21 THR 63 3HG2 THR 63 -3.426 2.906 4.570 445 HG22 THR 63 1HG2 THR 63 -4.824 3.570 3.725 446 HG23 THR 63 2HG2 THR 63 -4.274 4.304 5.231 447 H HIS 64 H HIS 64 -0.894 3.142 5.967 448 HA HIS 64 HA HIS 64 -0.031 0.983 4.168 449 HB2 HIS 64 1HB HIS 64 0.645 1.314 7.094 450 HB3 HIS 64 2HB HIS 64 1.387 0.203 5.948 451 HD1 HIS 64 1HD HIS 64 3.253 1.103 4.475 452 HD2 HIS 64 2HD HIS 64 1.440 4.030 6.802 453 HE1 HIS 64 1HE HIS 64 4.714 3.138 4.256 454 HE2 HIS 64 2HE HIS 64 3.644 4.868 5.740 455 H ILE 65 H ILE 65 -1.454 -0.596 3.911 456 HA ILE 65 HA ILE 65 -3.179 -1.320 6.190 457 HB ILE 65 HB ILE 65 -3.778 -1.734 3.260 458 HG12 ILE 65 1HG1 ILE 65 -5.295 0.158 5.009 459 HG13 ILE 65 2HG1 ILE 65 -3.757 0.680 4.330 460 HG21 ILE 65 1HG2 ILE 65 -5.499 -2.995 3.886 461 HG22 ILE 65 2HG2 ILE 65 -4.807 -3.008 5.506 462 HG23 ILE 65 3HG2 ILE 65 -6.020 -1.803 5.077 463 HD11 ILE 65 3HD1 ILE 65 -5.460 -0.541 2.337 464 HD12 ILE 65 1HD1 ILE 65 -6.232 0.836 3.125 465 HD13 ILE 65 2HD1 ILE 65 -4.665 1.034 2.339 466 H LYS 66 H LYS 66 -2.692 -3.200 7.087 467 HA LYS 66 HA LYS 66 -0.844 -5.031 6.008 468 HB2 LYS 66 1HB LYS 66 -2.883 -5.417 8.208 469 HB3 LYS 66 2HB LYS 66 -1.550 -6.512 7.866 470 HG2 LYS 66 1HG LYS 66 0.054 -4.796 8.427 471 HG3 LYS 66 2HG LYS 66 -1.244 -3.625 8.666 472 HD2 LYS 66 1HD LYS 66 -1.047 -6.184 10.238 473 HD3 LYS 66 2HD LYS 66 -0.285 -4.680 10.760 474 HE2 LYS 66 1HE LYS 66 -3.221 -4.940 10.137 475 HE3 LYS 66 2HE LYS 66 -2.546 -5.136 11.753 476 HZ1 LYS 66 3HZ LYS 66 -2.600 -2.952 11.998 477 HZ2 LYS 66 1HZ LYS 66 -3.239 -2.764 10.443 478 HZ3 LYS 66 2HZ LYS 66 -1.564 -2.749 10.677 479 H VAL 67 H VAL 67 -1.098 -7.031 5.049 480 HA VAL 67 HA VAL 67 -3.800 -7.610 4.021 481 HB VAL 67 HB VAL 67 -1.145 -8.199 2.705 482 HG11 VAL 67 1HG1 VAL 67 -2.517 -9.937 2.012 483 HG12 VAL 67 2HG1 VAL 67 -3.964 -8.928 2.014 484 HG13 VAL 67 3HG1 VAL 67 -2.751 -8.728 0.750 485 HG21 VAL 67 3HG2 VAL 67 -2.707 -6.620 1.033 486 HG22 VAL 67 1HG2 VAL 67 -2.905 -5.907 2.635 487 HG23 VAL 67 2HG2 VAL 67 -1.291 -6.108 1.952 488 H MET 68 H MET 68 -4.608 -9.240 5.187 489 HA MET 68 HA MET 68 -2.968 -11.251 6.394 490 HB2 MET 68 1HB MET 68 -5.882 -10.657 6.261 491 HB3 MET 68 2HB MET 68 -5.400 -12.295 6.682 492 HG2 MET 68 1HG MET 68 -4.074 -11.435 8.538 493 HG3 MET 68 2HG MET 68 -4.544 -9.791 8.113 494 HE1 MET 68 3HE MET 68 -7.878 -9.177 9.030 495 HE2 MET 68 1HE MET 68 -6.893 -9.280 7.570 496 HE3 MET 68 2HE MET 68 -8.228 -10.406 7.815 497 H CYS 69 H CYS 69 -3.040 -13.518 5.961 498 HA CYS 69 HA CYS 69 -4.027 -14.282 3.309 499 HB2 CYS 69 1HB CYS 69 -1.713 -13.784 2.905 500 HB3 CYS 69 2HB CYS 69 -1.214 -14.684 4.332 501 HG CYS 69 HG CYS 69 -2.854 -16.395 1.919 502 H GLU 70 H GLU 70 -5.225 -16.052 3.451 503 HA GLU 70 HA GLU 70 -4.722 -17.908 5.685 504 HB2 GLU 70 1HB GLU 70 -7.240 -18.519 5.071 505 HB3 GLU 70 2HB GLU 70 -6.839 -17.226 6.192 506 HG2 GLU 70 1HG GLU 70 -6.932 -15.667 4.194 507 HG3 GLU 70 2HG GLU 70 -7.682 -17.003 3.324 508 H GLY 71 H GLY 71 -3.464 -19.449 4.764 509 HA2 GLY 71 1HA GLY 71 -3.095 -21.413 3.604 510 HA3 GLY 71 2HA GLY 71 -4.716 -21.273 2.936 511 H GLY 72 H GLY 72 -4.667 -18.956 1.551 512 HA2 GLY 72 1HA GLY 72 -2.325 -18.646 -0.056 513 HA3 GLY 72 2HA GLY 72 -3.544 -19.609 -0.877 514 H ARG 73 H ARG 73 -5.748 -18.128 0.415 515 HA ARG 73 HA ARG 73 -5.889 -15.984 -1.511 516 HB2 ARG 73 1HB ARG 73 -8.191 -15.692 -0.666 517 HB3 ARG 73 2HB ARG 73 -7.856 -17.353 -1.134 518 HG2 ARG 73 1HG ARG 73 -7.265 -17.591 1.424 519 HG3 ARG 73 2HG ARG 73 -8.339 -16.196 1.556 520 HD2 ARG 73 1HD ARG 73 -10.064 -17.469 0.313 521 HD3 ARG 73 2HD ARG 73 -8.994 -18.871 0.327 522 HE ARG 73 HE ARG 73 -9.171 -18.306 2.932 523 HH11 ARG 73 2HH1 ARG 73 -11.614 -18.572 0.466 524 HH12 ARG 73 1HH1 ARG 73 -12.845 -19.113 1.560 525 HH21 ARG 73 2HH2 ARG 73 -10.782 -19.017 4.382 526 HH22 ARG 73 1HH2 ARG 73 -12.371 -19.365 3.787 527 H TYR 74 H TYR 74 -6.214 -13.785 -1.040 528 HA TYR 74 HA TYR 74 -5.138 -12.970 1.573 529 HB2 TYR 74 1HB TYR 74 -5.210 -11.455 -1.044 530 HB3 TYR 74 2HB TYR 74 -4.527 -10.853 0.461 531 HD1 TYR 74 1HD TYR 74 -2.954 -12.991 1.511 532 HD2 TYR 74 2HD TYR 74 -3.518 -11.874 -2.555 533 HE1 TYR 74 1HE TYR 74 -0.788 -14.005 0.939 534 HE2 TYR 74 2HE TYR 74 -1.354 -12.886 -3.140 535 HH TYR 74 HH TYR 74 0.859 -13.395 -1.803 536 H THR 75 H THR 75 -6.073 -11.207 2.684 537 HA THR 75 HA THR 75 -8.527 -10.023 1.763 538 HB THR 75 HB THR 75 -9.169 -12.319 2.710 539 HG1 THR 75 1HG THR 75 -10.293 -9.876 3.001 540 HG21 THR 75 3HG2 THR 75 -9.316 -11.313 5.418 541 HG22 THR 75 1HG2 THR 75 -7.645 -11.426 4.870 542 HG23 THR 75 2HG2 THR 75 -8.685 -12.849 4.824 543 H VAL 76 H VAL 76 -9.255 -8.302 3.104 544 HA VAL 76 HA VAL 76 -7.264 -7.439 5.101 545 HB VAL 76 HB VAL 76 -7.936 -5.099 4.528 546 HG11 VAL 76 1HG1 VAL 76 -6.893 -6.518 2.095 547 HG12 VAL 76 2HG1 VAL 76 -6.463 -4.921 2.710 548 HG13 VAL 76 3HG1 VAL 76 -5.939 -6.369 3.570 549 HG21 VAL 76 3HG2 VAL 76 -10.030 -6.296 3.213 550 HG22 VAL 76 1HG2 VAL 76 -9.534 -4.613 3.039 551 HG23 VAL 76 2HG2 VAL 76 -8.960 -5.824 1.892 552 H GLY 77 H GLY 77 -8.447 -8.412 6.807 553 HA2 GLY 77 1HA GLY 77 -9.824 -8.163 8.645 554 HA3 GLY 77 2HA GLY 77 -10.453 -6.690 7.923 555 H GLY 78 H GLY 78 -11.809 -7.197 5.838 556 HA2 GLY 78 1HA GLY 78 -14.138 -8.488 6.646 557 HA3 GLY 78 2HA GLY 78 -13.738 -8.099 4.980 558 H LEU 79 H LEU 79 -15.113 -10.444 6.105 559 HA LEU 79 HA LEU 79 -13.438 -12.702 6.101 560 HB2 LEU 79 1HB LEU 79 -16.369 -12.307 5.612 561 HB3 LEU 79 2HB LEU 79 -15.627 -13.900 5.476 562 HG LEU 79 HG LEU 79 -15.479 -12.231 7.978 563 HD11 LEU 79 1HD1 LEU 79 -17.227 -14.352 8.407 564 HD12 LEU 79 2HD1 LEU 79 -17.730 -13.653 6.868 565 HD13 LEU 79 3HD1 LEU 79 -17.636 -12.640 8.308 566 HD21 LEU 79 3HD2 LEU 79 -14.993 -14.416 9.009 567 HD22 LEU 79 1HD2 LEU 79 -13.789 -13.952 7.806 568 HD23 LEU 79 2HD2 LEU 79 -15.015 -15.157 7.407 569 H GLU 80 H GLU 80 -14.402 -10.670 3.573 570 HA GLU 80 HA GLU 80 -14.688 -12.337 1.390 571 HB2 GLU 80 1HB GLU 80 -13.687 -9.558 1.768 572 HB3 GLU 80 2HB GLU 80 -13.395 -10.326 0.213 573 HG2 GLU 80 1HG GLU 80 -15.947 -10.881 0.347 574 HG3 GLU 80 2HG GLU 80 -15.966 -9.533 1.482 575 H THR 81 H THR 81 -12.834 -12.077 -0.474 576 HA THR 81 HA THR 81 -10.173 -12.592 0.465 577 HB THR 81 HB THR 81 -10.023 -14.895 -0.482 578 HG1 THR 81 1HG THR 81 -11.702 -15.596 -1.545 579 HG21 THR 81 3HG2 THR 81 -12.082 -14.799 1.711 580 HG22 THR 81 1HG2 THR 81 -10.398 -14.351 1.980 581 HG23 THR 81 2HG2 THR 81 -10.803 -15.987 1.460 582 H PHE 82 H PHE 82 -8.795 -13.446 -1.461 583 HA PHE 82 HA PHE 82 -9.782 -12.760 -4.080 584 HB2 PHE 82 1HB PHE 82 -7.567 -11.095 -2.865 585 HB3 PHE 82 2HB PHE 82 -8.177 -10.970 -4.511 586 HD1 PHE 82 2HD PHE 82 -9.002 -10.421 -0.962 587 HD2 PHE 82 1HD PHE 82 -10.134 -9.737 -5.008 588 HE1 PHE 82 2HE PHE 82 -10.664 -8.769 -0.213 589 HE2 PHE 82 1HE PHE 82 -11.798 -8.083 -4.265 590 HZ PHE 82 HZ PHE 82 -12.066 -7.598 -1.866 591 H ASP 83 H ASP 83 -8.721 -13.863 -5.624 592 HA ASP 83 HA ASP 83 -7.195 -16.026 -5.241 593 HB2 ASP 83 1HB ASP 83 -6.963 -14.035 -7.502 594 HB3 ASP 83 2HB ASP 83 -6.179 -15.612 -7.519 595 H SER 84 H SER 84 -5.817 -12.785 -5.779 596 HA SER 84 HA SER 84 -3.664 -13.285 -3.964 597 HB2 SER 84 1HB SER 84 -3.234 -13.580 -6.895 598 HB3 SER 84 2HB SER 84 -1.989 -12.738 -5.972 599 HG SER 84 HG SER 84 -1.876 -15.151 -6.205 600 H LEU 85 H LEU 85 -1.886 -11.413 -4.497 601 HA LEU 85 HA LEU 85 -2.989 -9.029 -3.725 602 HB2 LEU 85 1HB LEU 85 -0.454 -9.792 -5.061 603 HB3 LEU 85 2HB LEU 85 -0.871 -8.080 -5.032 604 HG LEU 85 HG LEU 85 0.584 -8.516 -3.196 605 HD11 LEU 85 1HD1 LEU 85 -1.542 -7.110 -2.883 606 HD12 LEU 85 2HD1 LEU 85 -0.655 -7.615 -1.445 607 HD13 LEU 85 3HD1 LEU 85 -2.125 -8.466 -1.917 608 HD21 LEU 85 3HD2 LEU 85 0.549 -10.337 -1.860 609 HD22 LEU 85 1HD2 LEU 85 -0.308 -11.047 -3.227 610 HD23 LEU 85 2HD2 LEU 85 -1.212 -10.430 -1.845 611 H THR 86 H THR 86 -2.611 -10.276 -6.982 612 HA THR 86 HA THR 86 -3.180 -7.909 -8.393 613 HB THR 86 HB THR 86 -3.731 -10.762 -9.233 614 HG1 THR 86 1HG THR 86 -1.493 -10.151 -8.683 615 HG21 THR 86 3HG2 THR 86 -3.951 -8.148 -10.608 616 HG22 THR 86 1HG2 THR 86 -4.845 -9.644 -10.871 617 HG23 THR 86 2HG2 THR 86 -3.215 -9.464 -11.521 618 H ASP 87 H ASP 87 -5.330 -10.671 -7.692 619 HA ASP 87 HA ASP 87 -7.682 -9.453 -8.613 620 HB2 ASP 87 1HB ASP 87 -7.226 -11.930 -8.024 621 HB3 ASP 87 2HB ASP 87 -7.655 -11.468 -6.379 622 H LEU 88 H LEU 88 -6.151 -9.465 -5.437 623 HA LEU 88 HA LEU 88 -8.270 -8.224 -4.037 624 HB2 LEU 88 1HB LEU 88 -6.437 -9.446 -2.949 625 HB3 LEU 88 2HB LEU 88 -5.313 -8.182 -3.445 626 HG LEU 88 HG LEU 88 -7.654 -7.418 -1.769 627 HD11 LEU 88 1HD1 LEU 88 -6.960 -8.382 0.134 628 HD12 LEU 88 2HD1 LEU 88 -5.254 -8.198 -0.272 629 HD13 LEU 88 3HD1 LEU 88 -6.181 -9.540 -0.946 630 HD21 LEU 88 3HD2 LEU 88 -4.812 -6.508 -1.517 631 HD22 LEU 88 1HD2 LEU 88 -6.300 -5.655 -1.106 632 HD23 LEU 88 2HD2 LEU 88 -5.851 -5.880 -2.797 633 H VAL 89 H VAL 89 -5.152 -6.827 -5.074 634 HA VAL 89 HA VAL 89 -5.750 -4.173 -4.537 635 HB VAL 89 HB VAL 89 -3.990 -5.235 -6.751 636 HG11 VAL 89 1HG1 VAL 89 -3.508 -2.623 -5.422 637 HG12 VAL 89 2HG1 VAL 89 -3.147 -3.140 -7.071 638 HG13 VAL 89 3HG1 VAL 89 -4.798 -2.715 -6.621 639 HG21 VAL 89 3HG2 VAL 89 -3.689 -5.716 -4.106 640 HG22 VAL 89 1HG2 VAL 89 -2.350 -5.589 -5.247 641 HG23 VAL 89 2HG2 VAL 89 -2.806 -4.198 -4.264 642 H GLU 90 H GLU 90 -5.970 -5.826 -7.692 643 HA GLU 90 HA GLU 90 -6.975 -3.825 -9.244 644 HB2 GLU 90 1HB GLU 90 -7.480 -6.778 -9.217 645 HB3 GLU 90 2HB GLU 90 -8.361 -5.757 -10.345 646 HG2 GLU 90 1HG GLU 90 -6.005 -4.865 -10.971 647 HG3 GLU 90 2HG GLU 90 -5.442 -6.358 -10.221 648 H HIS 91 H HIS 91 -8.961 -6.098 -7.343 649 HA HIS 91 HA HIS 91 -11.433 -4.909 -7.884 650 HB2 HIS 91 1HB HIS 91 -11.388 -7.104 -6.937 651 HB3 HIS 91 2HB HIS 91 -10.481 -6.548 -5.533 652 HD1 HIS 91 1HD HIS 91 -13.857 -7.204 -6.681 653 HD2 HIS 91 2HD HIS 91 -12.083 -4.773 -3.816 654 HE1 HIS 91 1HE HIS 91 -15.711 -6.548 -5.115 655 HE2 HIS 91 2HE HIS 91 -14.631 -5.008 -3.439 656 H PHE 92 H PHE 92 -8.869 -3.925 -5.813 657 HA PHE 92 HA PHE 92 -10.579 -2.104 -4.302 658 HB2 PHE 92 1HB PHE 92 -7.817 -3.154 -4.005 659 HB3 PHE 92 2HB PHE 92 -8.116 -1.531 -3.393 660 HD1 PHE 92 2HD PHE 92 -10.806 -1.702 -2.328 661 HD2 PHE 92 1HD PHE 92 -7.639 -4.542 -2.176 662 HE1 PHE 92 2HE PHE 92 -11.764 -2.655 -0.272 663 HE2 PHE 92 1HE PHE 92 -8.592 -5.500 -0.119 664 HZ PHE 92 HZ PHE 92 -10.657 -4.555 0.836 665 H LYS 93 H LYS 93 -8.801 -2.119 -7.147 666 HA LYS 93 HA LYS 93 -7.938 0.629 -7.082 667 HB2 LYS 93 1HB LYS 93 -8.090 -1.335 -9.375 668 HB3 LYS 93 2HB LYS 93 -7.317 0.243 -9.443 669 HG2 LYS 93 1HG LYS 93 -5.972 -0.716 -7.384 670 HG3 LYS 93 2HG LYS 93 -6.420 -2.257 -8.117 671 HD2 LYS 93 1HD LYS 93 -5.237 -0.078 -9.793 672 HD3 LYS 93 2HD LYS 93 -4.194 -1.109 -8.810 673 HE2 LYS 93 1HE LYS 93 -4.839 -3.048 -9.973 674 HE3 LYS 93 2HE LYS 93 -6.235 -2.251 -10.694 675 HZ1 LYS 93 3HZ LYS 93 -4.102 -0.772 -11.536 676 HZ2 LYS 93 1HZ LYS 93 -4.940 -1.922 -12.451 677 HZ3 LYS 93 2HZ LYS 93 -3.535 -2.363 -11.618 678 H LYS 94 H LYS 94 -10.834 -1.007 -7.776 679 HA LYS 94 HA LYS 94 -11.867 1.269 -9.325 680 HB2 LYS 94 1HB LYS 94 -13.734 -0.251 -9.931 681 HB3 LYS 94 2HB LYS 94 -12.164 -0.843 -10.457 682 HG2 LYS 94 1HG LYS 94 -12.117 -2.311 -8.449 683 HG3 LYS 94 2HG LYS 94 -13.769 -1.797 -8.096 684 HD2 LYS 94 1HD LYS 94 -14.131 -2.536 -10.620 685 HD3 LYS 94 2HD LYS 94 -12.739 -3.558 -10.258 686 HE2 LYS 94 1HE LYS 94 -14.981 -3.493 -8.307 687 HE3 LYS 94 2HE LYS 94 -15.223 -4.365 -9.819 688 HZ1 LYS 94 3HZ LYS 94 -13.493 -4.997 -7.570 689 HZ2 LYS 94 1HZ LYS 94 -12.847 -5.300 -9.104 690 HZ3 LYS 94 2HZ LYS 94 -14.301 -6.029 -8.640 691 H THR 95 H THR 95 -12.467 -0.750 -6.498 692 HA THR 95 HA THR 95 -14.770 0.845 -5.722 693 HB THR 95 HB THR 95 -14.981 -0.684 -3.831 694 HG1 THR 95 1HG THR 95 -12.819 -2.224 -4.769 695 HG21 THR 95 3HG2 THR 95 -15.072 -1.445 -6.582 696 HG22 THR 95 1HG2 THR 95 -16.077 -2.008 -5.247 697 HG23 THR 95 2HG2 THR 95 -14.565 -2.835 -5.621 698 H GLY 96 H GLY 96 -11.854 -0.206 -3.944 699 HA2 GLY 96 1HA GLY 96 -10.313 1.456 -3.048 700 HA3 GLY 96 2HA GLY 96 -11.693 2.521 -2.823 701 H ILE 97 H ILE 97 -9.751 1.739 -0.844 702 HA ILE 97 HA ILE 97 -11.286 -0.010 0.936 703 HB ILE 97 HB ILE 97 -8.478 1.068 1.197 704 HG12 ILE 97 1HG1 ILE 97 -9.216 -1.823 0.925 705 HG13 ILE 97 2HG1 ILE 97 -9.141 -0.809 -0.512 706 HG21 ILE 97 1HG2 ILE 97 -8.805 -1.051 2.959 707 HG22 ILE 97 2HG2 ILE 97 -8.690 0.659 3.373 708 HG23 ILE 97 3HG2 ILE 97 -10.271 -0.089 3.148 709 HD11 ILE 97 3HD1 ILE 97 -6.786 -0.180 0.559 710 HD12 ILE 97 1HD1 ILE 97 -6.975 -1.801 1.228 711 HD13 ILE 97 2HD1 ILE 97 -7.014 -1.558 -0.519 712 H GLU 98 H GLU 98 -12.312 0.712 2.704 713 HA GLU 98 HA GLU 98 -12.162 3.592 3.269 714 HB2 GLU 98 1HB GLU 98 -14.388 2.853 2.712 715 HB3 GLU 98 2HB GLU 98 -14.296 1.545 3.883 716 HG2 GLU 98 1HG GLU 98 -14.466 3.004 5.701 717 HG3 GLU 98 2HG GLU 98 -14.080 4.414 4.717 718 H GLU 99 H GLU 99 -10.796 4.062 4.860 719 HA GLU 99 HA GLU 99 -10.132 2.171 6.919 720 HB2 GLU 99 1HB GLU 99 -9.397 5.097 6.800 721 HB3 GLU 99 2HB GLU 99 -8.591 3.833 7.717 722 HG2 GLU 99 1HG GLU 99 -7.569 2.943 5.858 723 HG3 GLU 99 2HG GLU 99 -8.768 3.608 4.751 724 H ALA 100 H ALA 100 -10.682 2.215 9.067 725 HA ALA 100 HA ALA 100 -13.162 2.889 9.901 726 HB1 ALA 100 1HB ALA 100 -10.655 2.273 11.220 727 HB2 ALA 100 2HB ALA 100 -11.673 3.339 12.189 728 HB3 ALA 100 3HB ALA 100 -12.300 1.787 11.633 729 H SER 101 H SER 101 -10.305 4.933 10.545 730 HA SER 101 HA SER 101 -11.384 7.079 11.751 731 HB2 SER 101 1HB SER 101 -9.272 6.923 9.619 732 HB3 SER 101 2HB SER 101 -9.750 8.484 10.288 733 HG SER 101 HG SER 101 -8.020 7.639 11.465 734 H GLY 102 H GLY 102 -11.581 6.399 8.282 735 HA2 GLY 102 1HA GLY 102 -13.842 7.020 7.354 736 HA3 GLY 102 2HA GLY 102 -13.532 8.605 8.047 737 H ALA 103 H ALA 103 -10.991 6.738 6.561 738 HA ALA 103 HA ALA 103 -10.843 8.754 4.428 739 HB1 ALA 103 1HB ALA 103 -8.793 8.850 5.433 740 HB2 ALA 103 2HB ALA 103 -8.805 7.142 5.874 741 HB3 ALA 103 3HB ALA 103 -8.473 7.620 4.209 742 H PHE 104 H PHE 104 -10.399 8.110 2.272 743 HA PHE 104 HA PHE 104 -11.031 5.296 1.681 744 HB2 PHE 104 1HB PHE 104 -12.255 7.792 0.635 745 HB3 PHE 104 2HB PHE 104 -11.987 6.493 -0.522 746 HD1 PHE 104 2HD PHE 104 -13.185 4.393 -0.337 747 HD2 PHE 104 1HD PHE 104 -13.859 7.567 2.417 748 HE1 PHE 104 2HE PHE 104 -15.249 3.291 0.423 749 HE2 PHE 104 1HE PHE 104 -15.923 6.469 3.183 750 HZ PHE 104 HZ PHE 104 -16.621 4.329 2.185 751 H VAL 105 H VAL 105 -9.121 4.483 1.055 752 HA VAL 105 HA VAL 105 -7.175 6.014 -0.388 753 HB VAL 105 HB VAL 105 -7.289 3.044 0.162 754 HG11 VAL 105 1HG1 VAL 105 -5.136 2.831 -0.649 755 HG12 VAL 105 2HG1 VAL 105 -5.845 3.972 -1.793 756 HG13 VAL 105 3HG1 VAL 105 -4.796 4.554 -0.499 757 HG21 VAL 105 3HG2 VAL 105 -7.146 4.141 2.241 758 HG22 VAL 105 1HG2 VAL 105 -5.489 3.688 1.842 759 HG23 VAL 105 2HG2 VAL 105 -6.026 5.353 1.618 760 H TYR 106 H TYR 106 -6.801 6.109 -2.526 761 HA TYR 106 HA TYR 106 -8.448 4.403 -4.277 762 HB2 TYR 106 1HB TYR 106 -7.566 7.250 -4.796 763 HB3 TYR 106 2HB TYR 106 -8.541 6.257 -5.872 764 HD1 TYR 106 1HD TYR 106 -10.350 5.013 -3.804 765 HD2 TYR 106 2HD TYR 106 -9.053 9.026 -4.365 766 HE1 TYR 106 1HE TYR 106 -12.394 5.821 -2.701 767 HE2 TYR 106 2HE TYR 106 -11.093 9.845 -3.263 768 HH TYR 106 HH TYR 106 -12.795 8.647 -1.415 769 H LEU 107 H LEU 107 -7.438 3.304 -5.856 770 HA LEU 107 HA LEU 107 -4.551 3.774 -6.193 771 HB2 LEU 107 1HB LEU 107 -5.988 1.213 -6.821 772 HB3 LEU 107 2HB LEU 107 -4.255 1.475 -6.628 773 HG LEU 107 HG LEU 107 -5.016 2.114 -4.162 774 HD11 LEU 107 1HD1 LEU 107 -7.399 1.817 -4.612 775 HD12 LEU 107 2HD1 LEU 107 -6.823 0.669 -3.405 776 HD13 LEU 107 3HD1 LEU 107 -7.108 0.137 -5.062 777 HD21 LEU 107 3HD2 LEU 107 -3.931 -0.172 -5.466 778 HD22 LEU 107 1HD2 LEU 107 -4.999 -0.715 -4.171 779 HD23 LEU 107 2HD2 LEU 107 -3.670 0.389 -3.814 780 H ARG 108 H ARG 108 -4.540 5.165 -7.910 781 HA ARG 108 HA ARG 108 -6.092 4.529 -10.290 782 HB2 ARG 108 1HB ARG 108 -4.237 6.847 -9.716 783 HB3 ARG 108 2HB ARG 108 -5.249 6.679 -11.144 784 HG2 ARG 108 1HG ARG 108 -7.153 6.466 -9.317 785 HG3 ARG 108 2HG ARG 108 -5.988 7.385 -8.363 786 HD2 ARG 108 1HD ARG 108 -7.388 8.973 -9.423 787 HD3 ARG 108 2HD ARG 108 -5.854 9.001 -10.291 788 HE ARG 108 HE ARG 108 -6.922 8.180 -12.156 789 HH11 ARG 108 2HH1 ARG 108 -9.027 7.941 -9.393 790 HH12 ARG 108 1HH1 ARG 108 -10.425 7.528 -10.331 791 HH21 ARG 108 2HH2 ARG 108 -8.754 7.636 -13.401 792 HH22 ARG 108 1HH2 ARG 108 -10.268 7.354 -12.610 793 H GLN 109 H GLN 109 -2.707 4.830 -9.296 794 HA GLN 109 HA GLN 109 -1.946 3.041 -11.464 795 HB2 GLN 109 1HB GLN 109 -0.194 4.467 -12.300 796 HB3 GLN 109 2HB GLN 109 -1.714 5.350 -12.361 797 HG2 GLN 109 1HG GLN 109 0.102 5.653 -10.012 798 HG3 GLN 109 2HG GLN 109 0.422 6.529 -11.507 799 HE21 GLN 109 1HE2 GLN 109 -0.109 7.814 -9.117 800 HE22 GLN 109 2HE2 GLN 109 -1.628 8.627 -9.238 801 HA PRO 110 HA PRO 110 0.627 1.386 -8.299 802 HB2 PRO 110 1HB PRO 110 2.358 -0.015 -9.853 803 HB3 PRO 110 2HB PRO 110 0.692 -0.530 -9.566 804 HG2 PRO 110 1HG PRO 110 1.850 0.909 -11.921 805 HG3 PRO 110 2HG PRO 110 0.691 -0.433 -11.889 806 HD2 PRO 110 1HD PRO 110 -0.068 2.139 -12.267 807 HD3 PRO 110 2HD PRO 110 -1.093 0.953 -11.434 808 H TYR 111 H TYR 111 3.288 0.831 -8.421 809 HA TYR 111 HA TYR 111 4.650 3.315 -9.159 810 HB2 TYR 111 1HB TYR 111 4.022 3.614 -6.821 811 HB3 TYR 111 2HB TYR 111 4.748 2.066 -6.405 812 HD1 TYR 111 1HD TYR 111 5.484 5.507 -7.535 813 HD2 TYR 111 2HD TYR 111 7.082 1.874 -6.002 814 HE1 TYR 111 1HE TYR 111 7.628 6.636 -7.108 815 HE2 TYR 111 2HE TYR 111 9.229 2.993 -5.571 816 HH TYR 111 HH TYR 111 10.205 5.676 -6.907 817 H TYR 112 H TYR 112 6.747 3.061 -9.781 818 HA TYR 112 HA TYR 112 7.885 0.352 -9.576 819 HB2 TYR 112 1HB TYR 112 8.303 2.170 -11.946 820 HB3 TYR 112 2HB TYR 112 8.688 0.458 -11.811 821 HD1 TYR 112 1HD TYR 112 6.503 -1.015 -11.155 822 HD2 TYR 112 2HD TYR 112 6.476 2.693 -13.241 823 HE1 TYR 112 1HE TYR 112 4.319 -1.587 -12.132 824 HE2 TYR 112 2HE TYR 112 4.292 2.132 -14.222 825 HH TYR 112 HH TYR 112 2.905 -1.026 -13.937 826 H SER 113 H SER 113 10.306 0.390 -10.076 827 HA SER 113 HA SER 113 11.590 2.855 -9.153 828 HB2 SER 113 1HB SER 113 11.264 1.473 -7.146 829 HB3 SER 113 2HB SER 113 12.088 0.128 -7.933 830 HG SER 113 HG SER 113 13.963 1.446 -8.029 831 H GLY 114 H GLY 114 13.546 3.256 -10.066 832 HA2 GLY 114 1HA GLY 114 15.386 1.443 -11.056 833 HA3 GLY 114 2HA GLY 114 14.277 1.765 -12.381 834 HA PRO 115 HA PRO 115 17.703 4.962 -12.295 835 HB2 PRO 115 1HB PRO 115 18.592 4.488 -14.816 836 HB3 PRO 115 2HB PRO 115 19.204 3.622 -13.403 837 HG2 PRO 115 1HG PRO 115 17.157 2.762 -15.411 838 HG3 PRO 115 2HG PRO 115 18.485 1.828 -14.697 839 HD2 PRO 115 1HD PRO 115 15.925 1.608 -13.842 840 HD3 PRO 115 2HD PRO 115 17.315 1.411 -12.756 841 H SER 116 H SER 116 17.011 6.954 -12.717 842 HA SER 116 HA SER 116 15.567 7.476 -15.214 843 HB2 SER 116 1HB SER 116 13.748 7.292 -13.707 844 HB3 SER 116 2HB SER 116 14.611 8.156 -12.434 845 HG SER 116 HG SER 116 13.822 9.928 -13.211 846 H SER 117 H SER 117 15.820 9.552 -16.040 847 HA SER 117 HA SER 117 17.393 11.492 -14.552 848 HB2 SER 117 1HB SER 117 19.076 11.719 -16.342 849 HB3 SER 117 2HB SER 117 19.113 10.110 -15.620 850 HG SER 117 HG SER 117 18.380 9.260 -17.432 851 H GLY 118 H GLY 118 16.406 13.375 -14.813 852 HA2 GLY 118 1HA GLY 118 14.287 14.003 -16.363 853 HA3 GLY 118 2HA GLY 118 15.492 15.198 -15.908 854 H1 MET 1 H MET 1 8.524 11.492 21.475 855 HA MET 1 HA MET 1 6.750 12.257 19.294 856 HB2 MET 1 1HB MET 1 8.252 13.861 20.661 857 HB3 MET 1 2HB MET 1 9.564 13.243 19.667 858 HG2 MET 1 1HG MET 1 8.751 15.289 18.724 859 HG3 MET 1 2HG MET 1 8.335 13.952 17.654 860 HE1 MET 1 3HE MET 1 7.528 16.535 19.988 861 HE2 MET 1 1HE MET 1 6.222 17.247 19.040 862 HE3 MET 1 2HE MET 1 5.852 16.325 20.497 863 H ASP 2 H ASP 2 7.519 9.587 19.200 864 HA ASP 2 HA ASP 2 8.817 9.522 16.618 865 HB2 ASP 2 1HB ASP 2 10.060 8.313 19.075 866 HB3 ASP 2 2HB ASP 2 10.367 7.639 17.477 867 H ASN 3 H ASN 3 9.004 7.090 15.915 868 HA ASN 3 HA ASN 3 7.010 5.349 17.053 869 HB2 ASN 3 1HB ASN 3 5.760 5.178 14.846 870 HB3 ASN 3 2HB ASN 3 5.483 6.647 15.777 871 HD21 ASN 3 1HD2 ASN 3 7.150 5.281 13.020 872 HD22 ASN 3 2HD2 ASN 3 7.384 6.773 12.181 873 H GLN 4 H GLN 4 7.331 3.232 16.507 874 HA GLN 4 HA GLN 4 9.742 2.671 14.967 875 HB2 GLN 4 1HB GLN 4 8.043 0.979 16.797 876 HB3 GLN 4 2HB GLN 4 9.389 0.330 15.869 877 HG2 GLN 4 1HG GLN 4 9.730 2.645 17.743 878 HG3 GLN 4 2HG GLN 4 9.820 0.972 18.293 879 HE21 GLN 4 1HE2 GLN 4 11.998 1.477 18.909 880 HE22 GLN 4 2HE2 GLN 4 13.257 1.446 17.728 881 H GLY 5 H GLY 5 9.037 2.944 12.844 882 HA2 GLY 5 1HA GLY 5 8.526 1.506 10.954 883 HA3 GLY 5 2HA GLY 5 7.217 0.819 11.904 884 H VAL 6 H VAL 6 5.439 1.290 10.755 885 HA VAL 6 HA VAL 6 4.807 4.124 10.372 886 HB VAL 6 HB VAL 6 3.950 3.762 8.128 887 HG11 VAL 6 1HG1 VAL 6 6.600 3.927 8.831 888 HG12 VAL 6 2HG1 VAL 6 6.581 2.590 7.678 889 HG13 VAL 6 3HG1 VAL 6 5.947 4.168 7.211 890 HG21 VAL 6 3HG2 VAL 6 3.229 1.553 8.034 891 HG22 VAL 6 1HG2 VAL 6 4.664 1.546 7.008 892 HG23 VAL 6 2HG2 VAL 6 4.754 0.924 8.656 893 H ILE 7 H ILE 7 2.729 4.630 10.804 894 HA ILE 7 HA ILE 7 1.086 2.812 12.173 895 HB ILE 7 HB ILE 7 0.219 5.385 10.849 896 HG12 ILE 7 1HG1 ILE 7 2.213 5.559 12.406 897 HG13 ILE 7 2HG1 ILE 7 0.816 6.533 12.849 898 HG21 ILE 7 1HG2 ILE 7 -1.787 4.665 11.537 899 HG22 ILE 7 2HG2 ILE 7 -1.091 3.441 12.598 900 HG23 ILE 7 3HG2 ILE 7 -1.223 5.112 13.147 901 HD11 ILE 7 3HD1 ILE 7 2.205 4.776 14.471 902 HD12 ILE 7 1HD1 ILE 7 0.645 5.524 14.812 903 HD13 ILE 7 2HD1 ILE 7 0.713 3.924 14.075 904 H PTR 8 H PTR 8 -0.873 1.830 11.605 905 HA PTR 8 HA PTR 8 -1.305 1.526 8.705 906 HB2 PTR 8 2HB PTR 8 -1.451 -0.505 10.925 907 HB3 PTR 8 3HB PTR 8 -2.252 -0.766 9.380 908 HD1 PTR 8 1HD PTR 8 1.100 0.133 10.761 909 HD2 PTR 8 2HD PTR 8 -1.090 -1.843 7.694 910 HE1 PTR 8 1HE PTR 8 3.204 -0.731 9.823 911 HE2 PTR 8 2HE PTR 8 1.007 -2.714 6.750 912 H SER 9 H SER 9 -3.069 2.639 8.179 913 HA SER 9 HA SER 9 -5.140 3.327 9.965 914 HB2 SER 9 1HB SER 9 -4.703 3.538 7.026 915 HB3 SER 9 2HB SER 9 -6.357 3.700 7.615 916 HG SER 9 HG SER 9 -5.536 5.722 7.693 917 H ASP 10 H ASP 10 -6.470 1.911 10.876 918 HA ASP 10 HA ASP 10 -7.034 -0.658 9.862 919 HB2 ASP 10 1HB ASP 10 -8.027 1.020 12.101 920 HB3 ASP 10 2HB ASP 10 -9.069 -0.301 11.579 921 H LEU 11 H LEU 11 -9.370 -1.413 9.535 922 HA LEU 11 HA LEU 11 -10.551 0.297 7.477 923 HB2 LEU 11 1HB LEU 11 -10.668 -2.620 8.107 924 HB3 LEU 11 2HB LEU 11 -11.949 -1.885 7.146 925 HG LEU 11 HG LEU 11 -10.553 -1.498 5.344 926 HD11 LEU 11 1HD1 LEU 11 -7.986 -1.813 5.688 927 HD12 LEU 11 2HD1 LEU 11 -8.369 -1.476 7.376 928 HD13 LEU 11 3HD1 LEU 11 -8.760 -0.291 6.129 929 HD21 LEU 11 3HD2 LEU 11 -9.756 -4.031 6.732 930 HD22 LEU 11 1HD2 LEU 11 -9.075 -3.598 5.165 931 HD23 LEU 11 2HD2 LEU 11 -10.816 -3.809 5.340 932 H ASN 12 H ASN 12 -13.087 -0.210 7.326 933 HA ASN 12 HA ASN 12 -14.170 0.783 9.843 934 HB2 ASN 12 1HB ASN 12 -15.916 1.683 8.624 935 HB3 ASN 12 2HB ASN 12 -14.626 1.716 7.426 936 HD21 ASN 12 1HD2 ASN 12 -14.473 -0.417 6.154 937 HD22 ASN 12 2HD2 ASN 12 -15.974 -1.032 5.559 938 H LEU 13 H LEU 13 -14.278 -2.027 7.787 939 HA LEU 13 HA LEU 13 -16.549 -3.337 8.455 940 HB2 LEU 13 1HB LEU 13 -14.175 -5.036 8.730 941 HB3 LEU 13 2HB LEU 13 -15.560 -5.188 7.652 942 HG LEU 13 HG LEU 13 -13.126 -3.458 7.230 943 HD11 LEU 13 1HD1 LEU 13 -14.016 -5.575 5.350 944 HD12 LEU 13 2HD1 LEU 13 -13.219 -6.072 6.842 945 HD13 LEU 13 3HD1 LEU 13 -12.393 -4.993 5.718 946 HD21 LEU 13 3HD2 LEU 13 -14.972 -3.780 5.003 947 HD22 LEU 13 1HD2 LEU 13 -14.189 -2.327 5.626 948 HD23 LEU 13 2HD2 LEU 13 -15.680 -2.909 6.366 949 HA PRO 14 HA PRO 14 -14.614 -4.902 12.613 950 HB2 PRO 14 1HB PRO 14 -12.419 -3.577 13.505 951 HB3 PRO 14 2HB PRO 14 -12.324 -5.001 12.462 952 HG2 PRO 14 1HG PRO 14 -12.115 -2.104 11.737 953 HG3 PRO 14 2HG PRO 14 -11.139 -3.472 11.170 954 HD2 PRO 14 1HD PRO 14 -13.154 -2.412 9.703 955 HD3 PRO 14 2HD PRO 14 -12.731 -4.136 9.641 956 HA PRO 15 HA PRO 15 -16.457 -1.862 15.202 957 HB2 PRO 15 1HB PRO 15 -15.373 -2.378 17.636 958 HB3 PRO 15 2HB PRO 15 -16.552 -3.445 16.865 959 HG2 PRO 15 1HG PRO 15 -13.571 -3.689 16.984 960 HG3 PRO 15 2HG PRO 15 -14.805 -4.943 17.196 961 HD2 PRO 15 1HD PRO 15 -13.440 -4.618 14.879 962 HD3 PRO 15 2HD PRO 15 -15.119 -5.194 14.926 Start of MODEL 12 1 H1 GLY 1 H GLY 1 12.420 -0.296 -21.330 2 HA2 GLY 1 1HA GLY 1 14.650 -0.504 -23.239 3 HA3 GLY 1 2HA GLY 1 14.405 -1.539 -21.839 4 H SER 2 H SER 2 14.662 -3.378 -23.188 5 HA SER 2 HA SER 2 13.190 -3.929 -25.488 6 HB2 SER 2 1HB SER 2 14.533 -5.649 -23.430 7 HB3 SER 2 2HB SER 2 13.559 -6.396 -24.695 8 HG SER 2 HG SER 2 15.964 -5.928 -25.019 9 H SER 3 H SER 3 11.609 -5.898 -25.539 10 HA SER 3 HA SER 3 9.181 -5.085 -24.466 11 HB2 SER 3 1HB SER 3 8.269 -7.131 -25.286 12 HB3 SER 3 2HB SER 3 9.564 -6.690 -26.398 13 HG SER 3 HG SER 3 10.780 -8.118 -24.668 14 H GLY 4 H GLY 4 8.015 -5.590 -22.662 15 HA2 GLY 4 1HA GLY 4 7.895 -7.491 -20.895 16 HA3 GLY 4 2HA GLY 4 9.516 -6.927 -20.518 17 H SER 5 H SER 5 6.545 -6.834 -19.365 18 HA SER 5 HA SER 5 6.726 -4.033 -18.468 19 HB2 SER 5 1HB SER 5 4.307 -4.132 -18.059 20 HB3 SER 5 2HB SER 5 4.672 -4.526 -19.738 21 HG SER 5 HG SER 5 3.338 -5.982 -17.982 22 H SER 6 H SER 6 6.547 -3.563 -16.294 23 HA SER 6 HA SER 6 6.887 -5.866 -14.496 24 HB2 SER 6 1HB SER 6 8.785 -4.336 -14.502 25 HB3 SER 6 2HB SER 6 7.721 -2.975 -14.149 26 HG SER 6 HG SER 6 7.147 -4.398 -12.221 27 H GLY 7 H GLY 7 5.865 -5.841 -12.425 28 HA2 GLY 7 1HA GLY 7 3.262 -4.497 -12.512 29 HA3 GLY 7 2HA GLY 7 3.683 -5.868 -11.497 30 H TRP 8 H TRP 8 2.943 -4.919 -9.606 31 HA TRP 8 HA TRP 8 4.414 -2.529 -8.711 32 HB2 TRP 8 1HB TRP 8 2.423 -2.665 -6.922 33 HB3 TRP 8 2HB TRP 8 2.258 -1.829 -8.464 34 HD1 TRP 8 HD TRP 8 0.061 -2.397 -9.624 35 HE1 TRP 8 1HE TRP 8 -1.501 -4.439 -9.747 36 HE3 TRP 8 3HE TRP 8 2.694 -5.610 -6.645 37 HZ2 TRP 8 2HZ TRP 8 -1.603 -7.065 -8.717 38 HZ3 TRP 8 3HZ TRP 8 1.795 -7.869 -6.264 39 HH2 TRP 8 HH TRP 8 -0.309 -8.579 -7.278 40 H TYR 9 H TYR 9 5.158 -5.460 -8.605 41 HA TYR 9 HA TYR 9 5.299 -5.859 -5.706 42 HB2 TYR 9 1HB TYR 9 4.613 -7.664 -7.499 43 HB3 TYR 9 2HB TYR 9 6.354 -7.848 -7.675 44 HD1 TYR 9 1HD TYR 9 3.537 -8.134 -5.305 45 HD2 TYR 9 2HD TYR 9 7.648 -8.966 -6.015 46 HE1 TYR 9 1HE TYR 9 3.570 -9.613 -3.340 47 HE2 TYR 9 2HE TYR 9 7.693 -10.447 -4.053 48 HH TYR 9 HH TYR 9 5.072 -10.597 -1.803 49 H HIS 10 H HIS 10 7.013 -5.042 -4.716 50 HA HIS 10 HA HIS 10 9.508 -4.670 -6.190 51 HB2 HIS 10 1HB HIS 10 8.634 -3.701 -3.461 52 HB3 HIS 10 2HB HIS 10 10.201 -3.356 -4.186 53 HD1 HIS 10 1HD HIS 10 10.331 -1.400 -5.749 54 HD2 HIS 10 2HD HIS 10 6.417 -2.484 -4.871 55 HE1 HIS 10 1HE HIS 10 8.893 0.410 -6.740 56 HE2 HIS 10 2HE HIS 10 6.536 -0.223 -6.123 57 H GLY 11 H GLY 11 8.560 -5.886 -2.966 58 HA2 GLY 11 1HA GLY 11 9.240 -8.148 -2.330 59 HA3 GLY 11 2HA GLY 11 10.734 -7.870 -3.213 60 H HIS 12 H HIS 12 12.439 -6.944 -2.195 61 HA HIS 12 HA HIS 12 12.420 -6.867 0.645 62 HB2 HIS 12 1HB HIS 12 14.546 -5.692 -1.148 63 HB3 HIS 12 2HB HIS 12 14.736 -6.300 0.494 64 HD1 HIS 12 1HD HIS 12 15.683 -7.230 -2.697 65 HD2 HIS 12 2HD HIS 12 13.747 -9.279 0.355 66 HE1 HIS 12 1HE HIS 12 16.044 -9.670 -3.191 67 HE2 HIS 12 2HE HIS 12 14.791 -10.890 -1.378 68 H MET 13 H MET 13 11.163 -5.342 1.573 69 HA MET 13 HA MET 13 12.051 -2.633 1.529 70 HB2 MET 13 1HB MET 13 10.626 -2.849 -0.574 71 HB3 MET 13 2HB MET 13 9.250 -3.066 0.499 72 HG2 MET 13 1HG MET 13 9.733 -0.874 1.513 73 HG3 MET 13 2HG MET 13 11.047 -0.658 0.359 74 HE1 MET 13 3HE MET 13 10.301 -1.188 -2.463 75 HE2 MET 13 1HE MET 13 9.440 0.295 -2.882 76 HE3 MET 13 2HE MET 13 10.846 0.362 -1.819 77 H SER 14 H SER 14 10.888 -1.287 3.069 78 HA SER 14 HA SER 14 9.315 -2.854 5.005 79 HB2 SER 14 1HB SER 14 10.406 -1.518 6.810 80 HB3 SER 14 2HB SER 14 11.535 -2.549 5.930 81 HG SER 14 HG SER 14 11.176 0.248 5.712 82 H GLY 15 H GLY 15 8.375 -1.142 6.708 83 HA2 GLY 15 1HA GLY 15 6.429 0.332 5.294 84 HA3 GLY 15 2HA GLY 15 6.730 0.428 7.022 85 H GLY 16 H GLY 16 8.994 1.582 7.445 86 HA2 GLY 16 1HA GLY 16 8.674 4.267 6.971 87 HA3 GLY 16 2HA GLY 16 10.225 3.522 7.323 88 H GLN 17 H GLN 17 10.536 1.969 5.016 89 HA GLN 17 HA GLN 17 11.666 3.830 3.252 90 HB2 GLN 17 1HB GLN 17 12.029 1.225 3.585 91 HB3 GLN 17 2HB GLN 17 10.884 1.129 2.253 92 HG2 GLN 17 1HG GLN 17 12.964 1.091 1.222 93 HG3 GLN 17 2HG GLN 17 12.428 2.761 1.042 94 HE21 GLN 17 1HE2 GLN 17 15.069 2.091 0.782 95 HE22 GLN 17 2HE2 GLN 17 15.967 2.737 2.110 96 H ALA 18 H ALA 18 8.889 1.678 2.616 97 HA ALA 18 HA ALA 18 8.011 2.559 0.236 98 HB1 ALA 18 1HB ALA 18 5.778 1.935 0.851 99 HB2 ALA 18 2HB ALA 18 6.906 0.830 1.636 100 HB3 ALA 18 3HB ALA 18 6.150 2.123 2.565 101 H GLU 19 H GLU 19 7.420 4.203 3.322 102 HA GLU 19 HA GLU 19 5.763 6.242 2.396 103 HB2 GLU 19 1HB GLU 19 7.565 5.884 4.730 104 HB3 GLU 19 2HB GLU 19 7.052 7.525 4.364 105 HG2 GLU 19 1HG GLU 19 4.679 6.597 4.339 106 HG3 GLU 19 2HG GLU 19 5.363 5.163 5.102 107 H THR 20 H THR 20 9.302 6.132 2.624 108 HA THR 20 HA THR 20 9.777 8.750 1.704 109 HB THR 20 HB THR 20 11.578 6.332 1.447 110 HG1 THR 20 1HG THR 20 11.467 6.552 3.573 111 HG21 THR 20 3HG2 THR 20 13.346 8.202 1.581 112 HG22 THR 20 1HG2 THR 20 12.032 9.283 1.117 113 HG23 THR 20 2HG2 THR 20 12.507 7.961 0.049 114 H LEU 21 H LEU 21 9.691 5.641 -0.015 115 HA LEU 21 HA LEU 21 10.337 6.656 -2.558 116 HB2 LEU 21 1HB LEU 21 8.732 4.224 -1.789 117 HB3 LEU 21 2HB LEU 21 9.329 4.562 -3.413 118 HG LEU 21 HG LEU 21 11.653 4.639 -2.119 119 HD11 LEU 21 1HD1 LEU 21 11.342 4.105 0.038 120 HD12 LEU 21 2HD1 LEU 21 11.260 2.452 -0.568 121 HD13 LEU 21 3HD1 LEU 21 9.775 3.355 -0.265 122 HD21 LEU 21 3HD2 LEU 21 11.951 2.275 -2.742 123 HD22 LEU 21 1HD2 LEU 21 11.162 3.211 -4.010 124 HD23 LEU 21 2HD2 LEU 21 10.209 2.137 -2.986 125 H LEU 22 H LEU 22 7.226 6.125 -0.955 126 HA LEU 22 HA LEU 22 5.653 6.923 -3.192 127 HB2 LEU 22 1HB LEU 22 5.052 6.616 -0.263 128 HB3 LEU 22 2HB LEU 22 3.838 7.131 -1.432 129 HG LEU 22 HG LEU 22 5.321 4.519 -1.650 130 HD11 LEU 22 1HD1 LEU 22 4.167 3.815 0.117 131 HD12 LEU 22 2HD1 LEU 22 2.723 3.964 -0.884 132 HD13 LEU 22 3HD1 LEU 22 3.203 5.291 0.172 133 HD21 LEU 22 3HD2 LEU 22 4.323 5.307 -3.713 134 HD22 LEU 22 1HD2 LEU 22 2.780 5.563 -2.896 135 HD23 LEU 22 2HD2 LEU 22 3.414 3.929 -3.090 136 H GLN 23 H GLN 23 6.143 8.532 -0.042 137 HA GLN 23 HA GLN 23 4.997 10.953 -0.602 138 HB2 GLN 23 1HB GLN 23 7.386 10.274 1.101 139 HB3 GLN 23 2HB GLN 23 6.735 11.905 1.020 140 HG2 GLN 23 1HG GLN 23 4.562 11.049 1.794 141 HG3 GLN 23 2HG GLN 23 5.271 9.442 1.938 142 HE21 GLN 23 1HE2 GLN 23 4.067 11.006 4.014 143 HE22 GLN 23 2HE2 GLN 23 5.283 11.286 5.208 144 H ALA 24 H ALA 24 8.334 9.966 -1.292 145 HA ALA 24 HA ALA 24 9.255 12.398 -2.317 146 HB1 ALA 24 1HB ALA 24 10.956 11.012 -3.498 147 HB2 ALA 24 2HB ALA 24 10.808 10.658 -1.776 148 HB3 ALA 24 3HB ALA 24 10.085 9.575 -2.965 149 H LYS 25 H LYS 25 7.629 9.691 -3.918 150 HA LYS 25 HA LYS 25 7.862 10.500 -6.559 151 HB2 LYS 25 1HB LYS 25 6.945 8.326 -5.874 152 HB3 LYS 25 2HB LYS 25 5.511 9.126 -5.246 153 HG2 LYS 25 1HG LYS 25 4.744 8.430 -7.278 154 HG3 LYS 25 2HG LYS 25 5.331 10.042 -7.697 155 HD2 LYS 25 1HD LYS 25 7.575 8.729 -8.151 156 HD3 LYS 25 2HD LYS 25 6.469 7.369 -8.354 157 HE2 LYS 25 1HE LYS 25 5.207 8.686 -10.015 158 HE3 LYS 25 2HE LYS 25 6.377 9.993 -9.841 159 HZ1 LYS 25 3HZ LYS 25 7.992 7.950 -10.376 160 HZ2 LYS 25 1HZ LYS 25 7.342 8.958 -11.569 161 HZ3 LYS 25 2HZ LYS 25 6.622 7.463 -11.241 162 H GLY 26 H GLY 26 5.417 11.411 -4.153 163 HA2 GLY 26 1HA GLY 26 4.111 13.307 -4.029 164 HA3 GLY 26 2HA GLY 26 5.014 13.956 -5.390 165 H GLU 27 H GLU 27 3.478 10.864 -5.683 166 HA GLU 27 HA GLU 27 1.505 12.076 -7.501 167 HB2 GLU 27 1HB GLU 27 3.069 9.546 -7.582 168 HB3 GLU 27 2HB GLU 27 1.443 9.514 -8.251 169 HG2 GLU 27 1HG GLU 27 3.515 10.078 -9.748 170 HG3 GLU 27 2HG GLU 27 1.971 10.896 -9.982 171 HA PRO 28 HA PRO 28 -1.502 10.802 -4.472 172 HB2 PRO 28 1HB PRO 28 -3.673 11.640 -5.871 173 HB3 PRO 28 2HB PRO 28 -2.614 12.746 -4.989 174 HG2 PRO 28 1HG PRO 28 -2.663 12.095 -7.910 175 HG3 PRO 28 2HG PRO 28 -2.485 13.672 -7.118 176 HD2 PRO 28 1HD PRO 28 -0.378 12.298 -8.118 177 HD3 PRO 28 2HD PRO 28 -0.244 13.345 -6.692 178 H TRP 29 H TRP 29 -2.733 9.009 -4.185 179 HA TRP 29 HA TRP 29 -3.786 7.034 -4.603 180 HB2 TRP 29 1HB TRP 29 -3.943 7.767 -7.520 181 HB3 TRP 29 2HB TRP 29 -5.037 6.754 -6.584 182 HD1 TRP 29 HD TRP 29 -5.421 9.734 -8.272 183 HE1 TRP 29 1HE TRP 29 -6.921 11.453 -7.079 184 HE3 TRP 29 3HE TRP 29 -5.294 7.781 -3.548 185 HZ2 TRP 29 2HZ TRP 29 -7.917 11.920 -4.479 186 HZ3 TRP 29 3HZ TRP 29 -6.547 8.925 -1.766 187 HH2 TRP 29 HH TRP 29 -7.830 10.951 -2.223 188 H THR 30 H THR 30 -0.916 7.304 -4.753 189 HA THR 30 HA THR 30 -0.135 5.412 -6.841 190 HB THR 30 HB THR 30 1.545 6.974 -4.870 191 HG1 THR 30 1HG THR 30 0.656 8.248 -6.543 192 HG21 THR 30 3HG2 THR 30 3.019 5.957 -7.096 193 HG22 THR 30 1HG2 THR 30 2.189 4.620 -6.302 194 HG23 THR 30 2HG2 THR 30 3.271 5.661 -5.377 195 H PHE 31 H PHE 31 -0.748 3.399 -6.221 196 HA PHE 31 HA PHE 31 -0.185 2.496 -3.505 197 HB2 PHE 31 1HB PHE 31 -1.590 0.641 -3.955 198 HB3 PHE 31 2HB PHE 31 -2.379 2.022 -4.710 199 HD1 PHE 31 1HD PHE 31 -2.126 2.348 -7.193 200 HD2 PHE 31 2HD PHE 31 -0.974 -1.236 -5.207 201 HE1 PHE 31 1HE PHE 31 -2.175 1.147 -9.340 202 HE2 PHE 31 2HE PHE 31 -1.020 -2.442 -7.352 203 HZ PHE 31 HZ PHE 31 -1.621 -1.251 -9.422 204 H LEU 32 H LEU 32 0.860 0.387 -3.177 205 HA LEU 32 HA LEU 32 2.466 -0.755 -5.243 206 HB2 LEU 32 1HB LEU 32 4.560 0.002 -4.737 207 HB3 LEU 32 2HB LEU 32 3.609 1.451 -4.420 208 HG LEU 32 HG LEU 32 3.602 0.575 -1.963 209 HD11 LEU 32 1HD1 LEU 32 6.094 -0.455 -1.802 210 HD12 LEU 32 2HD1 LEU 32 5.532 -1.192 -3.303 211 HD13 LEU 32 3HD1 LEU 32 4.619 -1.423 -1.811 212 HD21 LEU 32 3HD2 LEU 32 6.063 1.574 -1.832 213 HD22 LEU 32 1HD2 LEU 32 4.653 2.580 -2.161 214 HD23 LEU 32 2HD2 LEU 32 5.679 2.039 -3.490 215 H VAL 33 H VAL 33 3.017 -2.803 -4.736 216 HA VAL 33 HA VAL 33 2.400 -3.710 -2.009 217 HB VAL 33 HB VAL 33 2.774 -5.561 -4.339 218 HG11 VAL 33 1HG1 VAL 33 2.644 -6.599 -2.180 219 HG12 VAL 33 2HG1 VAL 33 1.191 -5.682 -1.776 220 HG13 VAL 33 3HG1 VAL 33 1.137 -6.910 -3.040 221 HG21 VAL 33 3HG2 VAL 33 0.086 -5.309 -4.240 222 HG22 VAL 33 1HG2 VAL 33 0.578 -3.648 -3.905 223 HG23 VAL 33 2HG2 VAL 33 1.115 -4.445 -5.384 224 H ARG 34 H ARG 34 3.782 -5.194 -0.950 225 HA ARG 34 HA ARG 34 6.389 -5.750 -2.087 226 HB2 ARG 34 1HB ARG 34 7.697 -4.546 -0.593 227 HB3 ARG 34 2HB ARG 34 6.388 -3.423 -0.933 228 HG2 ARG 34 1HG ARG 34 5.320 -4.580 1.188 229 HG3 ARG 34 2HG ARG 34 7.014 -4.914 1.552 230 HD2 ARG 34 1HD ARG 34 6.254 -2.817 2.570 231 HD3 ARG 34 2HD ARG 34 7.538 -2.549 1.393 232 HE ARG 34 HE ARG 34 6.088 -1.250 0.215 233 HH11 ARG 34 2HH1 ARG 34 4.243 -3.421 2.216 234 HH12 ARG 34 1HH1 ARG 34 2.714 -2.736 1.776 235 HH21 ARG 34 2HH2 ARG 34 4.081 -0.339 -0.372 236 HH22 ARG 34 1HH2 ARG 34 2.623 -0.983 0.303 237 H GLU 35 H GLU 35 7.774 -6.751 -0.098 238 HA GLU 35 HA GLU 35 6.015 -8.812 1.046 239 HB2 GLU 35 1HB GLU 35 8.859 -8.844 0.105 240 HB3 GLU 35 2HB GLU 35 8.327 -10.012 1.306 241 HG2 GLU 35 1HG GLU 35 6.528 -10.709 -0.265 242 HG3 GLU 35 2HG GLU 35 7.244 -9.646 -1.475 243 H SER 36 H SER 36 5.854 -9.042 3.189 244 HA SER 36 HA SER 36 6.771 -7.083 4.956 245 HB2 SER 36 1HB SER 36 5.675 -9.857 5.382 246 HB3 SER 36 2HB SER 36 6.159 -8.840 6.740 247 HG SER 36 HG SER 36 4.710 -7.247 5.422 248 H LEU 37 H LEU 37 7.923 -7.991 7.119 249 HA LEU 37 HA LEU 37 10.425 -9.281 6.253 250 HB2 LEU 37 1HB LEU 37 10.110 -7.005 8.206 251 HB3 LEU 37 2HB LEU 37 11.621 -7.840 7.850 252 HG LEU 37 HG LEU 37 10.106 -6.464 5.664 253 HD11 LEU 37 1HD1 LEU 37 12.161 -4.762 6.571 254 HD12 LEU 37 2HD1 LEU 37 11.177 -5.175 7.974 255 HD13 LEU 37 3HD1 LEU 37 10.424 -4.459 6.550 256 HD21 LEU 37 3HD2 LEU 37 12.020 -7.990 5.187 257 HD22 LEU 37 1HD2 LEU 37 13.057 -6.892 6.100 258 HD23 LEU 37 2HD2 LEU 37 12.260 -6.332 4.630 259 H SER 38 H SER 38 10.589 -11.195 7.200 260 HA SER 38 HA SER 38 10.519 -12.865 8.743 261 HB2 SER 38 1HB SER 38 11.967 -11.239 9.984 262 HB3 SER 38 2HB SER 38 10.519 -10.634 10.787 263 HG SER 38 HG SER 38 11.843 -13.076 11.092 264 H GLN 39 H GLN 39 8.095 -12.304 7.662 265 HA GLN 39 HA GLN 39 6.276 -12.677 9.945 266 HB2 GLN 39 1HB GLN 39 6.051 -10.852 7.613 267 HB3 GLN 39 2HB GLN 39 4.580 -11.660 8.139 268 HG2 GLN 39 1HG GLN 39 5.013 -10.786 10.435 269 HG3 GLN 39 2HG GLN 39 6.341 -9.843 9.761 270 HE21 GLN 39 1HE2 GLN 39 2.890 -10.257 9.888 271 HE22 GLN 39 2HE2 GLN 39 2.478 -8.720 9.216 272 HA PRO 40 HA PRO 40 5.247 -16.475 7.952 273 HB2 PRO 40 1HB PRO 40 2.932 -16.989 9.274 274 HB3 PRO 40 2HB PRO 40 4.525 -17.177 10.017 275 HG2 PRO 40 1HG PRO 40 2.580 -14.913 10.253 276 HG3 PRO 40 2HG PRO 40 3.551 -15.692 11.518 277 HD2 PRO 40 1HD PRO 40 4.250 -13.332 10.388 278 HD3 PRO 40 2HD PRO 40 5.450 -14.508 10.963 279 H GLY 41 H GLY 41 4.706 -16.150 5.843 280 HA2 GLY 41 1HA GLY 41 3.455 -15.458 4.010 281 HA3 GLY 41 2HA GLY 41 2.256 -16.462 4.811 282 H ASP 42 H ASP 42 3.595 -13.167 5.037 283 HA ASP 42 HA ASP 42 0.865 -12.121 5.043 284 HB2 ASP 42 1HB ASP 42 2.812 -11.922 7.283 285 HB3 ASP 42 2HB ASP 42 1.874 -10.480 6.903 286 H PHE 43 H PHE 43 0.689 -10.462 3.692 287 HA PHE 43 HA PHE 43 3.152 -9.087 2.850 288 HB2 PHE 43 1HB PHE 43 0.520 -9.233 1.369 289 HB3 PHE 43 2HB PHE 43 2.044 -8.599 0.758 290 HD1 PHE 43 1HD PHE 43 0.714 -11.744 2.265 291 HD2 PHE 43 2HD PHE 43 3.248 -9.949 -0.645 292 HE1 PHE 43 1HE PHE 43 1.284 -13.972 1.392 293 HE2 PHE 43 2HE PHE 43 3.821 -12.175 -1.524 294 HZ PHE 43 HZ PHE 43 2.838 -14.190 -0.506 295 H VAL 44 H VAL 44 2.489 -6.804 1.864 296 HA VAL 44 HA VAL 44 0.555 -5.437 3.565 297 HB VAL 44 HB VAL 44 3.458 -4.607 3.441 298 HG11 VAL 44 1HG1 VAL 44 2.357 -3.049 5.343 299 HG12 VAL 44 2HG1 VAL 44 2.530 -2.560 3.656 300 HG13 VAL 44 3HG1 VAL 44 0.993 -3.201 4.236 301 HG21 VAL 44 3HG2 VAL 44 2.777 -6.560 4.947 302 HG22 VAL 44 1HG2 VAL 44 3.652 -5.221 5.694 303 HG23 VAL 44 2HG2 VAL 44 1.905 -5.358 5.900 304 H LEU 45 H LEU 45 -0.156 -3.449 2.745 305 HA LEU 45 HA LEU 45 0.773 -2.803 0.026 306 HB2 LEU 45 1HB LEU 45 -1.341 -3.874 -0.205 307 HB3 LEU 45 2HB LEU 45 -2.038 -2.907 1.094 308 HG LEU 45 HG LEU 45 -1.886 -0.910 -0.332 309 HD11 LEU 45 1HD1 LEU 45 -1.556 -1.629 -2.868 310 HD12 LEU 45 2HD1 LEU 45 -0.499 -2.824 -2.119 311 HD13 LEU 45 3HD1 LEU 45 -0.213 -1.104 -1.853 312 HD21 LEU 45 3HD2 LEU 45 -3.549 -1.746 -2.099 313 HD22 LEU 45 1HD2 LEU 45 -3.985 -1.929 -0.399 314 HD23 LEU 45 2HD2 LEU 45 -3.388 -3.316 -1.311 315 H SER 46 H SER 46 1.034 -0.673 -0.472 316 HA SER 46 HA SER 46 0.368 1.284 1.627 317 HB2 SER 46 1HB SER 46 2.900 1.149 -0.027 318 HB3 SER 46 2HB SER 46 2.472 2.485 1.043 319 HG SER 46 HG SER 46 2.508 -0.139 2.044 320 H VAL 47 H VAL 47 -0.164 3.377 0.934 321 HA VAL 47 HA VAL 47 -0.335 3.917 -1.917 322 HB VAL 47 HB VAL 47 -2.812 3.898 -0.186 323 HG11 VAL 47 1HG1 VAL 47 -3.200 5.659 -1.613 324 HG12 VAL 47 2HG1 VAL 47 -2.230 4.961 -2.913 325 HG13 VAL 47 3HG1 VAL 47 -3.831 4.310 -2.557 326 HG21 VAL 47 3HG2 VAL 47 -3.595 2.093 -1.544 327 HG22 VAL 47 1HG2 VAL 47 -2.196 2.218 -2.611 328 HG23 VAL 47 2HG2 VAL 47 -1.991 1.661 -0.950 329 H LEU 48 H LEU 48 -0.299 6.071 -2.399 330 HA LEU 48 HA LEU 48 0.052 7.884 -0.123 331 HB2 LEU 48 1HB LEU 48 1.796 7.619 -1.954 332 HB3 LEU 48 2HB LEU 48 0.667 8.468 -3.008 333 HG LEU 48 HG LEU 48 0.764 10.404 -1.438 334 HD11 LEU 48 1HD1 LEU 48 2.633 10.485 0.158 335 HD12 LEU 48 2HD1 LEU 48 2.975 8.788 -0.178 336 HD13 LEU 48 3HD1 LEU 48 1.447 9.247 0.575 337 HD21 LEU 48 3HD2 LEU 48 3.219 10.942 -2.037 338 HD22 LEU 48 1HD2 LEU 48 2.062 10.683 -3.341 339 HD23 LEU 48 2HD2 LEU 48 3.183 9.398 -2.890 340 H SER 49 H SER 49 -1.966 8.543 0.449 341 HA SER 49 HA SER 49 -4.095 9.077 -1.285 342 HB2 SER 49 1HB SER 49 -5.040 10.384 0.637 343 HB3 SER 49 2HB SER 49 -4.505 8.761 1.071 344 HG SER 49 HG SER 49 -2.418 10.028 1.553 345 H ASP 50 H ASP 50 -5.078 11.159 -1.785 346 HA ASP 50 HA ASP 50 -3.108 13.007 -2.797 347 HB2 ASP 50 1HB ASP 50 -4.872 12.641 -4.300 348 HB3 ASP 50 2HB ASP 50 -6.095 12.771 -3.038 349 H GLN 51 H GLN 51 -4.346 12.629 0.167 350 HA GLN 51 HA GLN 51 -4.843 15.444 0.735 351 HB2 GLN 51 1HB GLN 51 -4.954 13.026 2.546 352 HB3 GLN 51 2HB GLN 51 -5.424 14.660 2.998 353 HG2 GLN 51 1HG GLN 51 -7.283 14.635 1.555 354 HG3 GLN 51 2HG GLN 51 -6.713 13.189 0.722 355 HE21 GLN 51 1HE2 GLN 51 -6.645 11.197 1.980 356 HE22 GLN 51 2HE2 GLN 51 -7.834 10.942 3.206 357 HA PRO 52 HA PRO 52 -0.472 15.776 1.730 358 HB2 PRO 52 1HB PRO 52 -0.507 18.477 2.003 359 HB3 PRO 52 2HB PRO 52 -0.448 17.671 0.431 360 HG2 PRO 52 1HG PRO 52 -2.795 18.847 1.871 361 HG3 PRO 52 2HG PRO 52 -2.364 18.961 0.155 362 HD2 PRO 52 1HD PRO 52 -4.244 17.242 1.074 363 HD3 PRO 52 2HD PRO 52 -3.217 16.874 -0.327 364 H LYS 53 H LYS 53 0.665 16.094 3.622 365 HA LYS 53 HA LYS 53 -0.604 15.737 6.052 366 HB2 LYS 53 1HB LYS 53 2.113 16.881 5.409 367 HB3 LYS 53 2HB LYS 53 1.583 16.557 7.055 368 HG2 LYS 53 1HG LYS 53 1.251 14.186 6.440 369 HG3 LYS 53 2HG LYS 53 1.900 14.544 4.837 370 HD2 LYS 53 1HD LYS 53 3.767 13.752 5.947 371 HD3 LYS 53 2HD LYS 53 3.926 15.496 6.165 372 HE2 LYS 53 1HE LYS 53 2.979 15.337 8.386 373 HE3 LYS 53 2HE LYS 53 2.688 13.611 8.168 374 HZ1 LYS 53 3HZ LYS 53 5.213 15.025 8.638 375 HZ2 LYS 53 1HZ LYS 53 5.247 13.598 7.728 376 HZ3 LYS 53 2HZ LYS 53 4.647 13.580 9.310 377 H ALA 54 H ALA 54 0.886 18.766 4.889 378 HA ALA 54 HA ALA 54 -0.898 20.231 6.720 379 HB1 ALA 54 1HB ALA 54 1.120 21.974 5.891 380 HB2 ALA 54 2HB ALA 54 0.953 21.203 7.470 381 HB3 ALA 54 3HB ALA 54 1.928 20.438 6.215 382 H GLY 55 H GLY 55 0.970 21.212 3.854 383 HA2 GLY 55 1HA GLY 55 -1.534 21.900 2.489 384 HA3 GLY 55 2HA GLY 55 -0.364 23.180 2.773 385 HA PRO 56 HA PRO 56 0.589 21.509 -1.393 386 HB2 PRO 56 1HB PRO 56 1.289 23.918 -2.429 387 HB3 PRO 56 2HB PRO 56 -0.384 23.355 -2.354 388 HG2 PRO 56 1HG PRO 56 1.065 25.233 -0.528 389 HG3 PRO 56 2HG PRO 56 -0.577 25.356 -1.184 390 HD2 PRO 56 1HD PRO 56 -0.075 24.497 1.334 391 HD3 PRO 56 2HD PRO 56 -1.445 23.898 0.376 392 H GLY 57 H GLY 57 2.397 20.469 -0.252 393 HA2 GLY 57 1HA GLY 57 4.865 20.983 -1.247 394 HA3 GLY 57 2HA GLY 57 4.807 21.997 0.186 395 H SER 58 H SER 58 3.140 20.125 1.682 396 HA SER 58 HA SER 58 5.229 18.548 2.805 397 HB2 SER 58 1HB SER 58 3.732 18.033 4.506 398 HB3 SER 58 2HB SER 58 3.084 19.567 3.923 399 HG SER 58 HG SER 58 1.535 18.439 2.764 400 HA PRO 59 HA PRO 59 4.883 14.775 0.589 401 HB2 PRO 59 1HB PRO 59 5.447 12.968 2.535 402 HB3 PRO 59 2HB PRO 59 6.671 14.027 1.824 403 HG2 PRO 59 1HG PRO 59 5.180 14.320 4.404 404 HG3 PRO 59 2HG PRO 59 6.901 14.593 4.067 405 HD2 PRO 59 1HD PRO 59 5.112 16.619 4.244 406 HD3 PRO 59 2HD PRO 59 6.524 16.681 3.169 407 H LEU 60 H LEU 60 2.941 14.116 -0.103 408 HA LEU 60 HA LEU 60 0.546 13.994 1.086 409 HB2 LEU 60 1HB LEU 60 1.757 12.047 -0.854 410 HB3 LEU 60 2HB LEU 60 0.072 11.939 -0.350 411 HG LEU 60 HG LEU 60 1.317 14.301 -1.757 412 HD11 LEU 60 1HD1 LEU 60 1.240 12.723 -3.425 413 HD12 LEU 60 2HD1 LEU 60 -0.366 13.438 -3.556 414 HD13 LEU 60 3HD1 LEU 60 -0.153 11.895 -2.729 415 HD21 LEU 60 3HD2 LEU 60 -0.542 14.924 -0.311 416 HD22 LEU 60 1HD2 LEU 60 -1.550 13.680 -1.051 417 HD23 LEU 60 2HD2 LEU 60 -0.999 15.054 -2.011 418 H ARG 61 H ARG 61 -0.711 12.491 2.241 419 HA ARG 61 HA ARG 61 0.693 11.107 4.291 420 HB2 ARG 61 1HB ARG 61 -1.689 12.204 4.289 421 HB3 ARG 61 2HB ARG 61 -2.207 10.623 3.720 422 HG2 ARG 61 1HG ARG 61 -2.474 10.370 5.972 423 HG3 ARG 61 2HG ARG 61 -0.825 9.773 5.778 424 HD2 ARG 61 1HD ARG 61 0.085 11.862 6.511 425 HD3 ARG 61 2HD ARG 61 -1.509 12.617 6.500 426 HE ARG 61 HE ARG 61 -1.599 10.436 8.239 427 HH11 ARG 61 2HH1 ARG 61 -0.047 13.542 7.986 428 HH12 ARG 61 1HH1 ARG 61 0.070 13.769 9.700 429 HH21 ARG 61 2HH2 ARG 61 -1.451 10.723 10.497 430 HH22 ARG 61 1HH2 ARG 61 -0.729 12.165 11.127 431 H VAL 62 H VAL 62 0.868 8.904 4.687 432 HA VAL 62 HA VAL 62 0.381 7.177 2.347 433 HB VAL 62 HB VAL 62 2.498 6.872 4.483 434 HG11 VAL 62 1HG1 VAL 62 1.890 4.702 3.776 435 HG12 VAL 62 2HG1 VAL 62 1.784 5.200 2.086 436 HG13 VAL 62 3HG1 VAL 62 3.355 5.109 2.882 437 HG21 VAL 62 3HG2 VAL 62 2.625 7.810 1.625 438 HG22 VAL 62 1HG2 VAL 62 3.129 8.673 3.078 439 HG23 VAL 62 2HG2 VAL 62 4.042 7.269 2.525 440 H THR 63 H THR 63 -0.850 5.413 2.592 441 HA THR 63 HA THR 63 -1.803 4.785 5.304 442 HB THR 63 HB THR 63 -3.106 4.430 2.610 443 HG1 THR 63 1HG THR 63 -4.413 5.977 3.325 444 HG21 THR 63 3HG2 THR 63 -3.395 2.773 4.947 445 HG22 THR 63 1HG2 THR 63 -4.157 2.614 3.365 446 HG23 THR 63 2HG2 THR 63 -4.902 3.624 4.604 447 H HIS 64 H HIS 64 -0.659 3.144 6.122 448 HA HIS 64 HA HIS 64 0.233 0.975 4.384 449 HB2 HIS 64 1HB HIS 64 0.782 1.346 7.332 450 HB3 HIS 64 2HB HIS 64 1.629 0.278 6.216 451 HD1 HIS 64 1HD HIS 64 2.801 1.736 4.123 452 HD2 HIS 64 2HD HIS 64 2.119 3.649 7.748 453 HE1 HIS 64 1HE HIS 64 4.324 3.738 4.125 454 HE2 HIS 64 2HE HIS 64 3.956 4.831 6.363 455 H ILE 65 H ILE 65 -1.072 -0.694 4.081 456 HA ILE 65 HA ILE 65 -2.853 -1.508 6.284 457 HB ILE 65 HB ILE 65 -3.246 -1.904 3.316 458 HG12 ILE 65 1HG1 ILE 65 -5.112 -0.357 5.060 459 HG13 ILE 65 2HG1 ILE 65 -3.611 0.412 4.552 460 HG21 ILE 65 1HG2 ILE 65 -4.848 -3.390 3.747 461 HG22 ILE 65 2HG2 ILE 65 -4.194 -3.477 5.382 462 HG23 ILE 65 3HG2 ILE 65 -5.536 -2.389 5.027 463 HD11 ILE 65 3HD1 ILE 65 -5.617 -0.796 2.666 464 HD12 ILE 65 1HD1 ILE 65 -5.553 0.912 3.101 465 HD13 ILE 65 2HD1 ILE 65 -4.200 0.168 2.248 466 H LYS 66 H LYS 66 -2.216 -3.301 7.262 467 HA LYS 66 HA LYS 66 -0.284 -5.074 6.145 468 HB2 LYS 66 1HB LYS 66 -2.020 -5.288 8.608 469 HB3 LYS 66 2HB LYS 66 -0.766 -6.448 8.191 470 HG2 LYS 66 1HG LYS 66 0.770 -4.346 8.124 471 HG3 LYS 66 2HG LYS 66 -0.505 -3.623 9.110 472 HD2 LYS 66 1HD LYS 66 0.593 -6.304 9.845 473 HD3 LYS 66 2HD LYS 66 1.505 -4.848 10.247 474 HE2 LYS 66 1HE LYS 66 -0.602 -3.976 11.329 475 HE3 LYS 66 2HE LYS 66 -1.277 -5.592 11.125 476 HZ1 LYS 66 3HZ LYS 66 0.850 -4.679 12.917 477 HZ2 LYS 66 1HZ LYS 66 0.941 -6.259 12.320 478 HZ3 LYS 66 2HZ LYS 66 -0.412 -5.768 13.208 479 H VAL 67 H VAL 67 -0.757 -6.412 4.530 480 HA VAL 67 HA VAL 67 -3.427 -7.426 4.126 481 HB VAL 67 HB VAL 67 -0.902 -8.169 2.645 482 HG11 VAL 67 1HG1 VAL 67 -3.801 -8.716 2.249 483 HG12 VAL 67 2HG1 VAL 67 -2.779 -8.492 0.828 484 HG13 VAL 67 3HG1 VAL 67 -2.407 -9.765 1.990 485 HG21 VAL 67 3HG2 VAL 67 -2.330 -5.696 2.702 486 HG22 VAL 67 1HG2 VAL 67 -0.909 -6.136 1.753 487 HG23 VAL 67 2HG2 VAL 67 -2.526 -6.440 1.116 488 H MET 68 H MET 68 -4.213 -9.207 5.020 489 HA MET 68 HA MET 68 -2.421 -11.076 6.340 490 HB2 MET 68 1HB MET 68 -5.408 -10.707 6.325 491 HB3 MET 68 2HB MET 68 -4.662 -12.132 7.035 492 HG2 MET 68 1HG MET 68 -3.564 -10.863 8.683 493 HG3 MET 68 2HG MET 68 -3.897 -9.348 7.847 494 HE1 MET 68 3HE MET 68 -7.605 -8.685 8.495 495 HE2 MET 68 1HE MET 68 -6.056 -7.844 8.437 496 HE3 MET 68 2HE MET 68 -6.519 -8.929 7.127 497 H CYS 69 H CYS 69 -2.901 -13.447 6.121 498 HA CYS 69 HA CYS 69 -3.647 -14.137 3.357 499 HB2 CYS 69 1HB CYS 69 -1.245 -14.232 3.451 500 HB3 CYS 69 2HB CYS 69 -1.288 -15.152 4.950 501 HG CYS 69 HG CYS 69 -2.158 -16.255 1.834 502 H GLU 70 H GLU 70 -5.124 -15.695 3.190 503 HA GLU 70 HA GLU 70 -5.620 -17.394 5.547 504 HB2 GLU 70 1HB GLU 70 -7.569 -16.184 3.588 505 HB3 GLU 70 2HB GLU 70 -8.003 -17.499 4.670 506 HG2 GLU 70 1HG GLU 70 -6.771 -15.064 5.840 507 HG3 GLU 70 2HG GLU 70 -8.445 -14.983 5.297 508 H GLY 71 H GLY 71 -4.109 -18.920 4.625 509 HA2 GLY 71 1HA GLY 71 -3.622 -20.855 3.491 510 HA3 GLY 71 2HA GLY 71 -5.353 -21.004 3.221 511 H GLY 72 H GLY 72 -2.851 -18.731 2.071 512 HA2 GLY 72 1HA GLY 72 -2.023 -18.691 -0.165 513 HA3 GLY 72 2HA GLY 72 -3.452 -19.576 -0.678 514 H ARG 73 H ARG 73 -5.510 -18.120 0.290 515 HA ARG 73 HA ARG 73 -5.618 -15.944 -1.527 516 HB2 ARG 73 1HB ARG 73 -7.509 -16.481 0.765 517 HB3 ARG 73 2HB ARG 73 -7.845 -15.577 -0.706 518 HG2 ARG 73 1HG ARG 73 -8.101 -17.457 -1.972 519 HG3 ARG 73 2HG ARG 73 -7.013 -18.415 -0.966 520 HD2 ARG 73 1HD ARG 73 -8.686 -18.578 0.764 521 HD3 ARG 73 2HD ARG 73 -9.756 -17.493 -0.122 522 HE ARG 73 HE ARG 73 -10.386 -19.251 -1.454 523 HH11 ARG 73 2HH1 ARG 73 -7.542 -20.128 0.352 524 HH12 ARG 73 1HH1 ARG 73 -7.601 -21.796 -0.113 525 HH21 ARG 73 2HH2 ARG 73 -10.475 -21.444 -2.074 526 HH22 ARG 73 1HH2 ARG 73 -9.269 -22.544 -1.494 527 H TYR 74 H TYR 74 -6.609 -13.775 -0.603 528 HA TYR 74 HA TYR 74 -5.083 -12.919 1.753 529 HB2 TYR 74 1HB TYR 74 -5.163 -11.402 -0.863 530 HB3 TYR 74 2HB TYR 74 -4.355 -10.883 0.612 531 HD1 TYR 74 1HD TYR 74 -2.851 -13.089 1.546 532 HD2 TYR 74 2HD TYR 74 -3.630 -11.973 -2.484 533 HE1 TYR 74 1HE TYR 74 -0.800 -14.246 0.836 534 HE2 TYR 74 2HE TYR 74 -1.583 -13.126 -3.206 535 HH TYR 74 HH TYR 74 0.332 -15.048 -0.966 536 H THR 75 H THR 75 -5.994 -11.242 2.931 537 HA THR 75 HA THR 75 -8.490 -10.060 1.991 538 HB THR 75 HB THR 75 -9.008 -12.204 3.278 539 HG1 THR 75 1HG THR 75 -10.144 -9.786 3.330 540 HG21 THR 75 3HG2 THR 75 -7.198 -11.475 5.048 541 HG22 THR 75 1HG2 THR 75 -8.636 -12.366 5.541 542 HG23 THR 75 2HG2 THR 75 -8.563 -10.619 5.764 543 H VAL 76 H VAL 76 -9.140 -8.194 3.183 544 HA VAL 76 HA VAL 76 -7.006 -7.062 4.875 545 HB VAL 76 HB VAL 76 -7.552 -4.846 4.003 546 HG11 VAL 76 1HG1 VAL 76 -7.133 -6.507 1.560 547 HG12 VAL 76 2HG1 VAL 76 -6.319 -5.026 2.069 548 HG13 VAL 76 3HG1 VAL 76 -5.941 -6.557 2.858 549 HG21 VAL 76 3HG2 VAL 76 -8.968 -5.140 1.711 550 HG22 VAL 76 1HG2 VAL 76 -9.756 -6.331 2.746 551 HG23 VAL 76 2HG2 VAL 76 -9.667 -4.645 3.253 552 H GLY 77 H GLY 77 -8.088 -7.767 6.769 553 HA2 GLY 77 1HA GLY 77 -9.356 -7.251 8.629 554 HA3 GLY 77 2HA GLY 77 -10.011 -5.878 7.748 555 H GLY 78 H GLY 78 -11.250 -7.005 5.618 556 HA2 GLY 78 1HA GLY 78 -13.644 -7.999 6.785 557 HA3 GLY 78 2HA GLY 78 -13.308 -7.870 5.065 558 H LEU 79 H LEU 79 -14.747 -9.993 6.096 559 HA LEU 79 HA LEU 79 -13.047 -12.260 6.535 560 HB2 LEU 79 1HB LEU 79 -15.991 -11.917 6.062 561 HB3 LEU 79 2HB LEU 79 -15.249 -13.513 6.162 562 HG LEU 79 HG LEU 79 -15.151 -11.451 8.362 563 HD11 LEU 79 1HD1 LEU 79 -17.412 -12.038 8.220 564 HD12 LEU 79 2HD1 LEU 79 -16.755 -13.104 9.461 565 HD13 LEU 79 3HD1 LEU 79 -17.045 -13.718 7.834 566 HD21 LEU 79 3HD2 LEU 79 -14.563 -13.522 9.697 567 HD22 LEU 79 1HD2 LEU 79 -13.324 -12.923 8.594 568 HD23 LEU 79 2HD2 LEU 79 -14.294 -14.326 8.149 569 H GLU 80 H GLU 80 -14.261 -10.616 3.787 570 HA GLU 80 HA GLU 80 -14.498 -12.610 1.885 571 HB2 GLU 80 1HB GLU 80 -13.780 -9.726 1.807 572 HB3 GLU 80 2HB GLU 80 -13.455 -10.675 0.364 573 HG2 GLU 80 1HG GLU 80 -16.137 -10.902 1.614 574 HG3 GLU 80 2HG GLU 80 -15.747 -9.429 0.727 575 H THR 81 H THR 81 -12.780 -12.483 -0.107 576 HA THR 81 HA THR 81 -10.038 -12.643 0.765 577 HB THR 81 HB THR 81 -9.655 -14.965 0.256 578 HG1 THR 81 1HG THR 81 -11.074 -16.138 -0.809 579 HG21 THR 81 3HG2 THR 81 -10.903 -16.047 2.048 580 HG22 THR 81 1HG2 THR 81 -12.065 -14.721 2.062 581 HG23 THR 81 2HG2 THR 81 -10.394 -14.434 2.544 582 H PHE 82 H PHE 82 -8.582 -13.286 -1.058 583 HA PHE 82 HA PHE 82 -9.751 -12.947 -3.712 584 HB2 PHE 82 1HB PHE 82 -7.515 -11.194 -2.673 585 HB3 PHE 82 2HB PHE 82 -8.144 -11.193 -4.317 586 HD1 PHE 82 2HD PHE 82 -8.983 -10.444 -0.800 587 HD2 PHE 82 1HD PHE 82 -10.068 -9.963 -4.888 588 HE1 PHE 82 2HE PHE 82 -10.651 -8.755 -0.154 589 HE2 PHE 82 1HE PHE 82 -11.738 -8.273 -4.249 590 HZ PHE 82 HZ PHE 82 -12.032 -7.668 -1.879 591 H ASP 83 H ASP 83 -8.696 -14.050 -5.282 592 HA ASP 83 HA ASP 83 -7.174 -16.218 -4.851 593 HB2 ASP 83 1HB ASP 83 -7.149 -14.315 -7.182 594 HB3 ASP 83 2HB ASP 83 -6.154 -15.768 -7.182 595 H SER 84 H SER 84 -5.794 -13.017 -5.595 596 HA SER 84 HA SER 84 -3.583 -13.469 -3.821 597 HB2 SER 84 1HB SER 84 -3.264 -13.781 -6.769 598 HB3 SER 84 2HB SER 84 -1.983 -12.950 -5.887 599 HG SER 84 HG SER 84 -2.991 -15.549 -5.346 600 H LEU 85 H LEU 85 -1.839 -11.595 -4.448 601 HA LEU 85 HA LEU 85 -2.926 -9.207 -3.665 602 HB2 LEU 85 1HB LEU 85 -0.447 -9.936 -5.144 603 HB3 LEU 85 2HB LEU 85 -0.871 -8.231 -4.997 604 HG LEU 85 HG LEU 85 0.715 -8.848 -3.282 605 HD11 LEU 85 1HD1 LEU 85 -1.329 -7.308 -2.860 606 HD12 LEU 85 2HD1 LEU 85 -0.338 -7.830 -1.498 607 HD13 LEU 85 3HD1 LEU 85 -1.881 -8.622 -1.820 608 HD21 LEU 85 3HD2 LEU 85 -1.305 -10.766 -2.157 609 HD22 LEU 85 1HD2 LEU 85 0.391 -10.566 -1.716 610 HD23 LEU 85 2HD2 LEU 85 -0.037 -11.283 -3.269 611 H THR 86 H THR 86 -2.601 -10.462 -6.934 612 HA THR 86 HA THR 86 -3.252 -8.128 -8.347 613 HB THR 86 HB THR 86 -3.830 -10.992 -9.134 614 HG1 THR 86 1HG THR 86 -1.551 -9.322 -9.400 615 HG21 THR 86 3HG2 THR 86 -4.848 -10.079 -10.900 616 HG22 THR 86 1HG2 THR 86 -3.269 -9.472 -11.397 617 HG23 THR 86 2HG2 THR 86 -4.342 -8.455 -10.436 618 H ASP 87 H ASP 87 -5.384 -10.909 -7.657 619 HA ASP 87 HA ASP 87 -7.760 -9.728 -8.482 620 HB2 ASP 87 1HB ASP 87 -7.309 -12.173 -7.852 621 HB3 ASP 87 2HB ASP 87 -7.606 -11.677 -6.188 622 H LEU 88 H LEU 88 -6.165 -9.646 -5.333 623 HA LEU 88 HA LEU 88 -8.248 -8.346 -3.936 624 HB2 LEU 88 1HB LEU 88 -6.399 -9.539 -2.845 625 HB3 LEU 88 2HB LEU 88 -5.280 -8.298 -3.404 626 HG LEU 88 HG LEU 88 -7.583 -7.465 -1.710 627 HD11 LEU 88 1HD1 LEU 88 -5.869 -9.519 -0.889 628 HD12 LEU 88 2HD1 LEU 88 -6.967 -8.569 0.112 629 HD13 LEU 88 3HD1 LEU 88 -5.290 -8.059 -0.088 630 HD21 LEU 88 3HD2 LEU 88 -4.703 -6.591 -1.916 631 HD22 LEU 88 1HD2 LEU 88 -5.942 -5.839 -0.911 632 HD23 LEU 88 2HD2 LEU 88 -6.087 -5.796 -2.668 633 H VAL 89 H VAL 89 -5.117 -6.965 -4.952 634 HA VAL 89 HA VAL 89 -5.709 -4.306 -4.530 635 HB VAL 89 HB VAL 89 -3.984 -5.434 -6.740 636 HG11 VAL 89 1HG1 VAL 89 -4.796 -2.862 -6.524 637 HG12 VAL 89 2HG1 VAL 89 -3.337 -2.831 -5.531 638 HG13 VAL 89 3HG1 VAL 89 -3.250 -3.358 -7.213 639 HG21 VAL 89 3HG2 VAL 89 -2.343 -5.789 -5.246 640 HG22 VAL 89 1HG2 VAL 89 -2.736 -4.341 -4.320 641 HG23 VAL 89 2HG2 VAL 89 -3.656 -5.824 -4.070 642 H GLU 90 H GLU 90 -5.890 -5.973 -7.683 643 HA GLU 90 HA GLU 90 -6.956 -4.010 -9.231 644 HB2 GLU 90 1HB GLU 90 -7.409 -6.974 -9.201 645 HB3 GLU 90 2HB GLU 90 -8.282 -5.965 -10.345 646 HG2 GLU 90 1HG GLU 90 -5.900 -5.046 -10.900 647 HG3 GLU 90 2HG GLU 90 -5.373 -6.570 -10.188 648 H HIS 91 H HIS 91 -8.943 -6.393 -7.465 649 HA HIS 91 HA HIS 91 -11.422 -5.274 -7.966 650 HB2 HIS 91 1HB HIS 91 -11.249 -7.453 -6.955 651 HB3 HIS 91 2HB HIS 91 -10.446 -6.784 -5.537 652 HD1 HIS 91 1HD HIS 91 -13.743 -7.600 -6.882 653 HD2 HIS 91 2HD HIS 91 -12.210 -5.158 -3.891 654 HE1 HIS 91 1HE HIS 91 -15.700 -7.033 -5.409 655 HE2 HIS 91 2HE HIS 91 -14.765 -5.486 -3.655 656 H PHE 92 H PHE 92 -8.905 -4.132 -5.927 657 HA PHE 92 HA PHE 92 -10.685 -2.347 -4.457 658 HB2 PHE 92 1HB PHE 92 -7.883 -3.275 -4.140 659 HB3 PHE 92 2HB PHE 92 -8.246 -1.649 -3.572 660 HD1 PHE 92 2HD PHE 92 -10.882 -1.843 -2.452 661 HD2 PHE 92 1HD PHE 92 -7.692 -4.657 -2.317 662 HE1 PHE 92 2HE PHE 92 -11.797 -2.774 -0.367 663 HE2 PHE 92 1HE PHE 92 -8.603 -5.595 -0.232 664 HZ PHE 92 HZ PHE 92 -10.657 -4.653 0.746 665 H LYS 93 H LYS 93 -8.433 -2.334 -7.088 666 HA LYS 93 HA LYS 93 -7.874 0.442 -7.146 667 HB2 LYS 93 1HB LYS 93 -7.856 -1.552 -9.420 668 HB3 LYS 93 2HB LYS 93 -7.099 0.035 -9.440 669 HG2 LYS 93 1HG LYS 93 -5.850 -0.898 -7.322 670 HG3 LYS 93 2HG LYS 93 -6.258 -2.454 -8.050 671 HD2 LYS 93 1HD LYS 93 -4.938 -0.255 -9.620 672 HD3 LYS 93 2HD LYS 93 -4.006 -1.418 -8.673 673 HE2 LYS 93 1HE LYS 93 -4.734 -3.228 -9.986 674 HE3 LYS 93 2HE LYS 93 -6.043 -2.289 -10.701 675 HZ1 LYS 93 3HZ LYS 93 -3.276 -1.414 -11.134 676 HZ2 LYS 93 1HZ LYS 93 -4.630 -1.231 -12.131 677 HZ3 LYS 93 2HZ LYS 93 -3.859 -2.732 -12.020 678 H LYS 94 H LYS 94 -10.668 -1.330 -7.886 679 HA LYS 94 HA LYS 94 -11.732 0.843 -9.558 680 HB2 LYS 94 1HB LYS 94 -13.592 -0.861 -10.003 681 HB3 LYS 94 2HB LYS 94 -12.017 -1.178 -10.720 682 HG2 LYS 94 1HG LYS 94 -11.520 -2.724 -8.860 683 HG3 LYS 94 2HG LYS 94 -13.150 -2.454 -8.239 684 HD2 LYS 94 1HD LYS 94 -12.775 -3.329 -11.070 685 HD3 LYS 94 2HD LYS 94 -12.648 -4.514 -9.768 686 HE2 LYS 94 1HE LYS 94 -14.881 -4.672 -10.192 687 HE3 LYS 94 2HE LYS 94 -14.911 -3.369 -9.006 688 HZ1 LYS 94 3HZ LYS 94 -15.096 -1.764 -10.729 689 HZ2 LYS 94 1HZ LYS 94 -16.257 -2.955 -11.037 690 HZ3 LYS 94 2HZ LYS 94 -14.825 -2.918 -11.937 691 H THR 95 H THR 95 -12.532 -1.228 -6.789 692 HA THR 95 HA THR 95 -14.892 0.271 -6.131 693 HB THR 95 HB THR 95 -15.036 -1.133 -4.151 694 HG1 THR 95 1HG THR 95 -12.771 -2.617 -4.772 695 HG21 THR 95 3HG2 THR 95 -14.556 -2.299 -6.822 696 HG22 THR 95 1HG2 THR 95 -15.968 -2.414 -5.773 697 HG23 THR 95 2HG2 THR 95 -14.560 -3.432 -5.471 698 H GLY 96 H GLY 96 -11.728 -0.171 -4.533 699 HA2 GLY 96 1HA GLY 96 -10.512 1.755 -3.716 700 HA3 GLY 96 2HA GLY 96 -12.055 2.530 -3.394 701 H ILE 97 H ILE 97 -9.902 2.232 -1.541 702 HA ILE 97 HA ILE 97 -11.025 0.307 0.380 703 HB ILE 97 HB ILE 97 -8.280 1.547 0.224 704 HG12 ILE 97 1HG1 ILE 97 -8.966 -1.380 0.309 705 HG13 ILE 97 2HG1 ILE 97 -9.000 -0.488 -1.208 706 HG21 ILE 97 1HG2 ILE 97 -9.107 1.432 2.558 707 HG22 ILE 97 2HG2 ILE 97 -9.330 -0.306 2.356 708 HG23 ILE 97 3HG2 ILE 97 -7.713 0.393 2.258 709 HD11 ILE 97 3HD1 ILE 97 -6.584 0.227 -0.417 710 HD12 ILE 97 1HD1 ILE 97 -6.701 -1.287 0.478 711 HD13 ILE 97 2HD1 ILE 97 -6.878 -1.283 -1.278 712 H GLU 98 H GLU 98 -11.877 0.989 2.259 713 HA GLU 98 HA GLU 98 -11.865 3.884 2.766 714 HB2 GLU 98 1HB GLU 98 -14.086 3.020 2.448 715 HB3 GLU 98 2HB GLU 98 -13.799 1.722 3.599 716 HG2 GLU 98 1HG GLU 98 -13.866 3.174 5.430 717 HG3 GLU 98 2HG GLU 98 -13.669 4.602 4.415 718 H GLU 99 H GLU 99 -11.180 4.713 4.679 719 HA GLU 99 HA GLU 99 -9.729 2.893 6.435 720 HB2 GLU 99 1HB GLU 99 -9.670 5.825 5.904 721 HB3 GLU 99 2HB GLU 99 -9.144 5.264 7.486 722 HG2 GLU 99 1HG GLU 99 -7.658 3.629 6.137 723 HG3 GLU 99 2HG GLU 99 -7.943 4.744 4.802 724 H ALA 100 H ALA 100 -10.076 2.724 8.643 725 HA ALA 100 HA ALA 100 -12.572 2.526 9.645 726 HB1 ALA 100 1HB ALA 100 -10.808 3.589 11.694 727 HB2 ALA 100 2HB ALA 100 -11.539 1.989 11.547 728 HB3 ALA 100 3HB ALA 100 -10.030 2.349 10.707 729 H SER 101 H SER 101 -10.527 5.401 10.201 730 HA SER 101 HA SER 101 -12.426 6.977 11.456 731 HB2 SER 101 1HB SER 101 -9.938 7.527 9.918 732 HB3 SER 101 2HB SER 101 -11.016 8.888 10.230 733 HG SER 101 HG SER 101 -10.426 7.201 12.367 734 H GLY 102 H GLY 102 -11.447 7.377 8.046 735 HA2 GLY 102 1HA GLY 102 -14.036 7.312 6.971 736 HA3 GLY 102 2HA GLY 102 -13.649 8.984 7.350 737 H ALA 103 H ALA 103 -10.838 8.774 6.775 738 HA ALA 103 HA ALA 103 -10.626 9.653 4.239 739 HB1 ALA 103 1HB ALA 103 -8.641 9.804 5.362 740 HB2 ALA 103 2HB ALA 103 -8.734 8.152 5.977 741 HB3 ALA 103 3HB ALA 103 -8.285 8.445 4.297 742 H PHE 104 H PHE 104 -10.084 8.768 2.197 743 HA PHE 104 HA PHE 104 -10.726 5.913 1.875 744 HB2 PHE 104 1HB PHE 104 -11.911 8.285 0.538 745 HB3 PHE 104 2HB PHE 104 -11.597 6.879 -0.475 746 HD1 PHE 104 1HD PHE 104 -13.528 8.182 2.351 747 HD2 PHE 104 2HD PHE 104 -12.852 4.849 -0.208 748 HE1 PHE 104 1HE PHE 104 -15.618 7.153 3.144 749 HE2 PHE 104 2HE PHE 104 -14.941 3.815 0.580 750 HZ PHE 104 HZ PHE 104 -16.328 4.969 2.257 751 H VAL 105 H VAL 105 -9.187 4.799 0.880 752 HA VAL 105 HA VAL 105 -7.018 6.237 -0.438 753 HB VAL 105 HB VAL 105 -7.269 3.321 0.311 754 HG11 VAL 105 1HG1 VAL 105 -4.767 3.357 -0.130 755 HG12 VAL 105 2HG1 VAL 105 -5.820 3.393 -1.546 756 HG13 VAL 105 3HG1 VAL 105 -5.045 4.875 -0.984 757 HG21 VAL 105 3HG2 VAL 105 -6.412 5.699 1.751 758 HG22 VAL 105 1HG2 VAL 105 -6.788 4.084 2.354 759 HG23 VAL 105 2HG2 VAL 105 -5.179 4.437 1.724 760 H TYR 106 H TYR 106 -6.610 6.179 -2.572 761 HA TYR 106 HA TYR 106 -8.311 4.441 -4.237 762 HB2 TYR 106 1HB TYR 106 -7.312 7.219 -4.896 763 HB3 TYR 106 2HB TYR 106 -8.283 6.200 -5.953 764 HD1 TYR 106 1HD TYR 106 -10.290 5.131 -4.087 765 HD2 TYR 106 2HD TYR 106 -8.664 9.050 -4.407 766 HE1 TYR 106 1HE TYR 106 -12.343 6.057 -3.100 767 HE2 TYR 106 2HE TYR 106 -10.713 9.987 -3.419 768 HH TYR 106 HH TYR 106 -12.615 8.907 -1.757 769 H LEU 107 H LEU 107 -7.268 3.061 -5.510 770 HA LEU 107 HA LEU 107 -4.378 3.411 -5.877 771 HB2 LEU 107 1HB LEU 107 -5.933 0.918 -6.486 772 HB3 LEU 107 2HB LEU 107 -4.205 1.088 -6.175 773 HG LEU 107 HG LEU 107 -5.122 1.875 -3.797 774 HD11 LEU 107 1HD1 LEU 107 -7.361 0.448 -5.090 775 HD12 LEU 107 2HD1 LEU 107 -7.372 1.667 -3.817 776 HD13 LEU 107 3HD1 LEU 107 -6.986 -0.009 -3.428 777 HD21 LEU 107 3HD2 LEU 107 -5.216 -0.976 -3.767 778 HD22 LEU 107 1HD2 LEU 107 -3.924 0.098 -3.229 779 HD23 LEU 107 2HD2 LEU 107 -3.972 -0.455 -4.903 780 H ARG 108 H ARG 108 -4.775 5.010 -7.562 781 HA ARG 108 HA ARG 108 -6.080 4.238 -9.991 782 HB2 ARG 108 1HB ARG 108 -4.184 6.539 -9.489 783 HB3 ARG 108 2HB ARG 108 -5.254 6.359 -10.871 784 HG2 ARG 108 1HG ARG 108 -6.492 6.312 -8.183 785 HG3 ARG 108 2HG ARG 108 -5.873 7.855 -8.772 786 HD2 ARG 108 1HD ARG 108 -8.094 7.829 -9.489 787 HD3 ARG 108 2HD ARG 108 -7.179 7.342 -10.915 788 HE ARG 108 HE ARG 108 -7.812 4.982 -9.771 789 HH11 ARG 108 2HH1 ARG 108 -9.691 7.779 -10.646 790 HH12 ARG 108 1HH1 ARG 108 -11.136 6.873 -10.957 791 HH21 ARG 108 2HH2 ARG 108 -9.707 3.779 -10.177 792 HH22 ARG 108 1HH2 ARG 108 -11.143 4.598 -10.690 793 H GLN 109 H GLN 109 -2.668 4.936 -9.209 794 HA GLN 109 HA GLN 109 -1.888 2.938 -11.215 795 HB2 GLN 109 1HB GLN 109 -0.043 4.415 -11.947 796 HB3 GLN 109 2HB GLN 109 -1.629 5.091 -12.292 797 HG2 GLN 109 1HG GLN 109 -0.226 5.846 -9.774 798 HG3 GLN 109 2HG GLN 109 0.255 6.584 -11.300 799 HE21 GLN 109 1HE2 GLN 109 -0.750 8.091 -9.237 800 HE22 GLN 109 2HE2 GLN 109 -2.304 8.703 -9.674 801 HA PRO 110 HA PRO 110 0.688 1.410 -7.987 802 HB2 PRO 110 1HB PRO 110 2.425 -0.035 -9.490 803 HB3 PRO 110 2HB PRO 110 0.762 -0.550 -9.183 804 HG2 PRO 110 1HG PRO 110 1.910 0.810 -11.591 805 HG3 PRO 110 2HG PRO 110 0.760 -0.537 -11.509 806 HD2 PRO 110 1HD PRO 110 -0.015 2.015 -11.979 807 HD3 PRO 110 2HD PRO 110 -1.033 0.855 -11.102 808 H TYR 111 H TYR 111 3.346 0.873 -8.073 809 HA TYR 111 HA TYR 111 4.686 3.349 -8.891 810 HB2 TYR 111 1HB TYR 111 4.097 3.702 -6.563 811 HB3 TYR 111 2HB TYR 111 4.794 2.149 -6.116 812 HD1 TYR 111 1HD TYR 111 5.540 5.597 -7.143 813 HD2 TYR 111 2HD TYR 111 7.178 1.878 -5.886 814 HE1 TYR 111 1HE TYR 111 7.706 6.693 -6.741 815 HE2 TYR 111 2HE TYR 111 9.347 2.963 -5.478 816 HH TYR 111 HH TYR 111 10.314 5.070 -5.127 817 H TYR 112 H TYR 112 6.209 2.678 -10.248 818 HA TYR 112 HA TYR 112 7.537 0.115 -9.794 819 HB2 TYR 112 1HB TYR 112 8.007 1.908 -12.161 820 HB3 TYR 112 2HB TYR 112 8.187 0.161 -12.050 821 HD1 TYR 112 1HD TYR 112 5.913 -1.108 -11.449 822 HD2 TYR 112 2HD TYR 112 6.167 2.722 -13.286 823 HE1 TYR 112 1HE TYR 112 3.650 -1.403 -12.363 824 HE2 TYR 112 2HE TYR 112 3.903 2.437 -14.204 825 HH TYR 112 HH TYR 112 2.235 0.967 -14.564 826 H SER 113 H SER 113 9.554 -0.055 -9.054 827 HA SER 113 HA SER 113 10.984 2.343 -8.307 828 HB2 SER 113 1HB SER 113 12.565 0.783 -7.223 829 HB3 SER 113 2HB SER 113 10.898 0.459 -6.747 830 HG SER 113 HG SER 113 10.881 -1.233 -8.302 831 H GLY 114 H GLY 114 10.949 0.203 -10.952 832 HA2 GLY 114 1HA GLY 114 12.113 0.607 -12.965 833 HA3 GLY 114 2HA GLY 114 13.297 1.542 -12.065 834 HA PRO 115 HA PRO 115 14.331 -3.197 -12.432 835 HB2 PRO 115 1HB PRO 115 14.870 -3.606 -15.061 836 HB3 PRO 115 2HB PRO 115 13.278 -3.895 -14.351 837 HG2 PRO 115 1HG PRO 115 14.257 -1.532 -15.905 838 HG3 PRO 115 2HG PRO 115 12.706 -2.384 -16.024 839 HD2 PRO 115 1HD PRO 115 12.985 -0.048 -14.684 840 HD3 PRO 115 2HD PRO 115 11.826 -1.299 -14.191 841 H SER 116 H SER 116 16.444 -3.781 -12.240 842 HA SER 116 HA SER 116 18.443 -1.818 -13.145 843 HB2 SER 116 1HB SER 116 19.865 -2.755 -11.289 844 HB3 SER 116 2HB SER 116 18.410 -1.921 -10.744 845 HG SER 116 HG SER 116 19.021 -4.652 -10.715 846 H SER 117 H SER 117 18.250 -5.288 -12.335 847 HA SER 117 HA SER 117 20.489 -6.002 -13.910 848 HB2 SER 117 1HB SER 117 19.973 -8.249 -13.370 849 HB3 SER 117 2HB SER 117 19.443 -7.312 -11.973 850 HG SER 117 HG SER 117 17.855 -8.404 -14.048 851 H GLY 118 H GLY 118 20.622 -5.995 -16.048 852 HA2 GLY 118 1HA GLY 118 20.084 -6.551 -18.236 853 HA3 GLY 118 2HA GLY 118 18.553 -7.197 -17.662 854 H1 MET 1 H MET 1 20.420 -0.509 12.898 855 HA MET 1 HA MET 1 19.245 -1.689 15.251 856 HB2 MET 1 1HB MET 1 21.537 -0.647 15.176 857 HB3 MET 1 2HB MET 1 20.751 0.920 15.038 858 HG2 MET 1 1HG MET 1 19.967 -0.845 17.290 859 HG3 MET 1 2HG MET 1 21.537 -0.048 17.358 860 HE1 MET 1 3HE MET 1 20.813 3.348 18.577 861 HE2 MET 1 1HE MET 1 21.596 1.816 18.965 862 HE3 MET 1 2HE MET 1 21.874 2.576 17.398 863 H ASP 2 H ASP 2 19.077 1.556 13.773 864 HA ASP 2 HA ASP 2 16.854 2.358 15.363 865 HB2 ASP 2 1HB ASP 2 18.564 3.885 14.271 866 HB3 ASP 2 2HB ASP 2 17.717 3.602 12.753 867 H ASN 3 H ASN 3 15.273 0.754 15.079 868 HA ASN 3 HA ASN 3 14.186 0.333 12.412 869 HB2 ASN 3 1HB ASN 3 12.597 -1.211 13.734 870 HB3 ASN 3 2HB ASN 3 14.291 -1.679 13.619 871 HD21 ASN 3 1HD2 ASN 3 14.844 -2.617 15.445 872 HD22 ASN 3 2HD2 ASN 3 14.489 -2.037 17.033 873 H GLN 4 H GLN 4 13.145 2.202 11.839 874 HA GLN 4 HA GLN 4 11.616 3.873 13.411 875 HB2 GLN 4 1HB GLN 4 12.313 4.273 11.033 876 HB3 GLN 4 2HB GLN 4 11.017 3.197 10.530 877 HG2 GLN 4 1HG GLN 4 10.126 5.331 10.287 878 HG3 GLN 4 2HG GLN 4 9.457 4.749 11.810 879 HE21 GLN 4 1HE2 GLN 4 11.983 6.756 10.405 880 HE22 GLN 4 2HE2 GLN 4 12.143 7.822 11.755 881 H GLY 5 H GLY 5 9.323 4.129 13.656 882 HA2 GLY 5 1HA GLY 5 7.807 1.612 13.362 883 HA3 GLY 5 2HA GLY 5 7.770 2.527 14.862 884 H VAL 6 H VAL 6 6.756 2.445 11.517 885 HA VAL 6 HA VAL 6 5.180 4.875 11.815 886 HB VAL 6 HB VAL 6 4.632 4.643 9.479 887 HG11 VAL 6 1HG1 VAL 6 6.609 5.503 8.944 888 HG12 VAL 6 2HG1 VAL 6 7.243 4.909 10.481 889 HG13 VAL 6 3HG1 VAL 6 7.368 3.914 9.030 890 HG21 VAL 6 3HG2 VAL 6 5.707 2.673 8.223 891 HG22 VAL 6 1HG2 VAL 6 5.791 1.896 9.804 892 HG23 VAL 6 2HG2 VAL 6 4.229 2.370 9.135 893 H ILE 7 H ILE 7 2.996 4.964 11.995 894 HA ILE 7 HA ILE 7 1.624 2.675 12.975 895 HB ILE 7 HB ILE 7 0.410 5.286 12.070 896 HG12 ILE 7 1HG1 ILE 7 2.286 5.482 13.768 897 HG13 ILE 7 2HG1 ILE 7 0.730 6.133 14.271 898 HG21 ILE 7 1HG2 ILE 7 -0.901 4.119 14.300 899 HG22 ILE 7 2HG2 ILE 7 -1.529 4.400 12.677 900 HG23 ILE 7 3HG2 ILE 7 -0.720 2.880 13.057 901 HD11 ILE 7 3HD1 ILE 7 1.377 3.327 14.984 902 HD12 ILE 7 1HD1 ILE 7 2.178 4.629 15.863 903 HD13 ILE 7 2HD1 ILE 7 0.417 4.525 15.852 904 H PTR 8 H PTR 8 0.058 1.411 12.041 905 HA PTR 8 HA PTR 8 -0.109 1.568 9.111 906 HB2 PTR 8 2HB PTR 8 -0.360 -0.715 11.053 907 HB3 PTR 8 3HB PTR 8 -0.986 -0.846 9.414 908 HD1 PTR 8 1HD PTR 8 2.152 0.576 10.877 909 HD2 PTR 8 2HD PTR 8 0.402 -2.135 8.104 910 HE1 PTR 8 1HE PTR 8 4.394 -0.044 10.078 911 HE2 PTR 8 2HE PTR 8 2.639 -2.763 7.298 912 H SER 9 H SER 9 -1.871 2.595 8.438 913 HA SER 9 HA SER 9 -4.147 3.189 9.864 914 HB2 SER 9 1HB SER 9 -3.927 2.721 6.880 915 HB3 SER 9 2HB SER 9 -5.248 3.571 7.683 916 HG SER 9 HG SER 9 -3.416 4.928 8.553 917 H ASP 10 H ASP 10 -6.429 2.418 9.170 918 HA ASP 10 HA ASP 10 -6.516 -0.493 8.839 919 HB2 ASP 10 1HB ASP 10 -7.407 1.059 11.212 920 HB3 ASP 10 2HB ASP 10 -8.461 -0.245 10.671 921 H LEU 11 H LEU 11 -9.108 -1.031 8.988 922 HA LEU 11 HA LEU 11 -10.341 0.772 7.011 923 HB2 LEU 11 1HB LEU 11 -10.720 -2.198 7.360 924 HB3 LEU 11 2HB LEU 11 -11.563 -1.193 6.184 925 HG LEU 11 HG LEU 11 -8.600 -1.768 6.231 926 HD11 LEU 11 1HD1 LEU 11 -10.915 -2.957 4.810 927 HD12 LEU 11 2HD1 LEU 11 -9.422 -3.706 5.376 928 HD13 LEU 11 3HD1 LEU 11 -9.420 -2.738 3.902 929 HD21 LEU 11 3HD2 LEU 11 -8.489 -0.555 4.154 930 HD22 LEU 11 1HD2 LEU 11 -9.177 0.492 5.396 931 HD23 LEU 11 2HD2 LEU 11 -10.227 -0.255 4.192 932 H ASN 12 H ASN 12 -12.869 0.155 6.957 933 HA ASN 12 HA ASN 12 -13.851 0.998 9.533 934 HB2 ASN 12 1HB ASN 12 -15.807 1.573 8.451 935 HB3 ASN 12 2HB ASN 12 -14.664 1.667 7.114 936 HD21 ASN 12 1HD2 ASN 12 -14.411 -0.388 5.856 937 HD22 ASN 12 2HD2 ASN 12 -15.848 -1.290 5.531 938 H LEU 13 H LEU 13 -14.219 -1.849 7.451 939 HA LEU 13 HA LEU 13 -16.076 -3.313 8.809 940 HB2 LEU 13 1HB LEU 13 -13.647 -4.788 7.978 941 HB3 LEU 13 2HB LEU 13 -15.345 -5.128 7.651 942 HG LEU 13 HG LEU 13 -15.080 -2.967 6.121 943 HD11 LEU 13 1HD1 LEU 13 -12.958 -2.716 5.150 944 HD12 LEU 13 2HD1 LEU 13 -12.348 -4.193 5.895 945 HD13 LEU 13 3HD1 LEU 13 -12.665 -2.770 6.888 946 HD21 LEU 13 3HD2 LEU 13 -14.970 -4.407 4.275 947 HD22 LEU 13 1HD2 LEU 13 -15.701 -5.378 5.554 948 HD23 LEU 13 2HD2 LEU 13 -13.998 -5.594 5.147 949 HA PRO 14 HA PRO 14 -12.638 -4.970 11.802 950 HB2 PRO 14 1HB PRO 14 -10.349 -3.515 11.931 951 HB3 PRO 14 2HB PRO 14 -10.568 -4.863 10.808 952 HG2 PRO 14 1HG PRO 14 -10.817 -1.922 10.307 953 HG3 PRO 14 2HG PRO 14 -10.045 -3.166 9.307 954 HD2 PRO 14 1HD PRO 14 -12.520 -2.201 8.782 955 HD3 PRO 14 2HD PRO 14 -12.052 -3.875 8.421 956 HA PRO 15 HA PRO 15 -14.142 -2.002 14.757 957 HB2 PRO 15 1HB PRO 15 -13.598 -3.473 16.973 958 HB3 PRO 15 2HB PRO 15 -14.971 -3.808 15.910 959 HG2 PRO 15 1HG PRO 15 -12.289 -5.135 16.017 960 HG3 PRO 15 2HG PRO 15 -13.894 -5.868 15.844 961 HD2 PRO 15 1HD PRO 15 -12.235 -5.484 13.740 962 HD3 PRO 15 2HD PRO 15 -14.002 -5.406 13.589 Start of MODEL 13 1 H1 GLY 1 H GLY 1 17.057 -10.556 -23.917 2 HA2 GLY 1 1HA GLY 1 16.727 -10.539 -21.635 3 HA3 GLY 1 2HA GLY 1 16.676 -8.785 -21.707 4 H SER 2 H SER 2 14.841 -7.994 -20.950 5 HA SER 2 HA SER 2 12.650 -7.780 -20.370 6 HB2 SER 2 1HB SER 2 12.641 -7.809 -22.989 7 HB3 SER 2 2HB SER 2 11.872 -9.384 -22.785 8 HG SER 2 HG SER 2 10.909 -7.142 -21.384 9 H SER 3 H SER 3 13.952 -9.914 -19.151 10 HA SER 3 HA SER 3 11.899 -12.023 -19.094 11 HB2 SER 3 1HB SER 3 14.849 -12.043 -18.552 12 HB3 SER 3 2HB SER 3 13.813 -13.257 -17.801 13 HG SER 3 HG SER 3 13.970 -12.727 -20.587 14 H GLY 4 H GLY 4 11.409 -12.968 -16.977 15 HA2 GLY 4 1HA GLY 4 10.591 -12.707 -14.845 16 HA3 GLY 4 2HA GLY 4 12.142 -11.950 -14.514 17 H SER 5 H SER 5 9.086 -11.137 -16.168 18 HA SER 5 HA SER 5 9.339 -8.354 -15.743 19 HB2 SER 5 1HB SER 5 7.902 -9.339 -17.501 20 HB3 SER 5 2HB SER 5 6.824 -9.963 -16.253 21 HG SER 5 HG SER 5 7.181 -7.358 -17.165 22 H SER 6 H SER 6 8.160 -6.986 -14.332 23 HA SER 6 HA SER 6 6.923 -8.251 -12.000 24 HB2 SER 6 1HB SER 6 9.147 -6.202 -11.827 25 HB3 SER 6 2HB SER 6 8.213 -6.811 -10.460 26 HG SER 6 HG SER 6 9.015 -8.967 -11.457 27 H GLY 7 H GLY 7 5.126 -7.231 -11.365 28 HA2 GLY 7 1HA GLY 7 4.338 -4.818 -12.769 29 HA3 GLY 7 2HA GLY 7 3.332 -5.779 -11.695 30 H TRP 8 H TRP 8 2.991 -5.076 -9.674 31 HA TRP 8 HA TRP 8 4.477 -2.685 -8.825 32 HB2 TRP 8 1HB TRP 8 2.375 -2.695 -7.154 33 HB3 TRP 8 2HB TRP 8 2.323 -1.945 -8.747 34 HD1 TRP 8 HD TRP 8 0.171 -2.530 -9.977 35 HE1 TRP 8 1HE TRP 8 -1.400 -4.565 -10.104 36 HE3 TRP 8 3HE TRP 8 2.621 -5.651 -6.752 37 HZ2 TRP 8 2HZ TRP 8 -1.578 -7.151 -8.986 38 HZ3 TRP 8 3HZ TRP 8 1.685 -7.887 -6.335 39 HH2 TRP 8 HH TRP 8 -0.372 -8.620 -7.428 40 H TYR 9 H TYR 9 5.169 -5.612 -8.477 41 HA TYR 9 HA TYR 9 5.122 -5.827 -5.557 42 HB2 TYR 9 1HB TYR 9 4.542 -7.742 -7.250 43 HB3 TYR 9 2HB TYR 9 6.289 -7.919 -7.356 44 HD1 TYR 9 1HD TYR 9 3.414 -8.032 -5.027 45 HD2 TYR 9 2HD TYR 9 7.513 -8.996 -5.638 46 HE1 TYR 9 1HE TYR 9 3.391 -9.398 -2.981 47 HE2 TYR 9 2HE TYR 9 7.502 -10.366 -3.595 48 HH TYR 9 HH TYR 9 6.130 -11.391 -2.074 49 H HIS 10 H HIS 10 6.748 -4.851 -4.551 50 HA HIS 10 HA HIS 10 9.318 -4.506 -5.850 51 HB2 HIS 10 1HB HIS 10 8.072 -3.489 -3.320 52 HB3 HIS 10 2HB HIS 10 9.817 -3.395 -3.534 53 HD1 HIS 10 1HD HIS 10 10.638 -1.365 -4.693 54 HD2 HIS 10 2HD HIS 10 6.638 -2.115 -5.524 55 HE1 HIS 10 1HE HIS 10 9.861 0.589 -6.070 56 HE2 HIS 10 2HE HIS 10 7.416 0.156 -6.489 57 H GLY 11 H GLY 11 8.320 -5.734 -2.645 58 HA2 GLY 11 1HA GLY 11 8.989 -8.010 -2.019 59 HA3 GLY 11 2HA GLY 11 10.501 -7.715 -2.865 60 H HIS 12 H HIS 12 12.095 -7.639 -1.434 61 HA HIS 12 HA HIS 12 11.868 -7.156 1.287 62 HB2 HIS 12 1HB HIS 12 14.273 -6.951 1.326 63 HB3 HIS 12 2HB HIS 12 13.836 -8.195 0.160 64 HD1 HIS 12 1HD HIS 12 16.004 -5.402 0.507 65 HD2 HIS 12 2HD HIS 12 13.747 -6.968 -2.609 66 HE1 HIS 12 1HE HIS 12 17.011 -4.456 -1.594 67 HE2 HIS 12 2HE HIS 12 15.575 -5.350 -3.460 68 H MET 13 H MET 13 11.005 -5.377 2.149 69 HA MET 13 HA MET 13 12.326 -2.872 1.926 70 HB2 MET 13 1HB MET 13 11.116 -2.741 -0.181 71 HB3 MET 13 2HB MET 13 9.604 -3.114 0.636 72 HG2 MET 13 1HG MET 13 9.402 -1.024 1.524 73 HG3 MET 13 2HG MET 13 11.141 -0.748 1.551 74 HE1 MET 13 3HE MET 13 9.544 -2.253 -1.603 75 HE2 MET 13 1HE MET 13 8.152 -1.344 -1.015 76 HE3 MET 13 2HE MET 13 8.964 -0.849 -2.500 77 H SER 14 H SER 14 11.955 -1.676 3.709 78 HA SER 14 HA SER 14 10.095 -2.747 5.670 79 HB2 SER 14 1HB SER 14 12.019 -0.440 6.010 80 HB3 SER 14 2HB SER 14 11.246 -1.386 7.281 81 HG SER 14 HG SER 14 12.777 -2.804 7.100 82 H GLY 15 H GLY 15 9.054 -0.935 7.116 83 HA2 GLY 15 1HA GLY 15 7.098 0.340 5.521 84 HA3 GLY 15 2HA GLY 15 7.334 0.581 7.245 85 H GLY 16 H GLY 16 9.346 1.949 7.774 86 HA2 GLY 16 1HA GLY 16 9.024 4.531 7.060 87 HA3 GLY 16 2HA GLY 16 10.599 3.873 7.480 88 H GLN 17 H GLN 17 10.557 2.083 5.108 89 HA GLN 17 HA GLN 17 11.826 3.878 3.293 90 HB2 GLN 17 1HB GLN 17 12.208 1.305 3.757 91 HB3 GLN 17 2HB GLN 17 11.026 1.121 2.469 92 HG2 GLN 17 1HG GLN 17 12.922 1.093 1.232 93 HG3 GLN 17 2HG GLN 17 12.620 2.830 1.243 94 HE21 GLN 17 1HE2 GLN 17 14.885 3.055 0.807 95 HE22 GLN 17 2HE2 GLN 17 16.027 2.963 2.099 96 H ALA 18 H ALA 18 9.062 1.679 2.771 97 HA ALA 18 HA ALA 18 8.147 2.424 0.372 98 HB1 ALA 18 1HB ALA 18 7.081 0.968 2.344 99 HB2 ALA 18 2HB ALA 18 6.026 2.379 2.433 100 HB3 ALA 18 3HB ALA 18 6.165 1.477 0.924 101 H GLU 19 H GLU 19 7.532 4.251 3.357 102 HA GLU 19 HA GLU 19 5.893 6.237 2.357 103 HB2 GLU 19 1HB GLU 19 7.822 6.063 4.612 104 HB3 GLU 19 2HB GLU 19 7.271 7.668 4.150 105 HG2 GLU 19 1HG GLU 19 4.928 6.849 4.388 106 HG3 GLU 19 2HG GLU 19 5.580 5.347 5.038 107 H THR 20 H THR 20 9.443 6.168 2.446 108 HA THR 20 HA THR 20 9.852 8.695 1.281 109 HB THR 20 HB THR 20 11.667 6.279 1.148 110 HG1 THR 20 1HG THR 20 12.462 6.970 3.074 111 HG21 THR 20 3HG2 THR 20 13.449 8.038 0.959 112 HG22 THR 20 1HG2 THR 20 12.167 9.221 0.704 113 HG23 THR 20 2HG2 THR 20 12.394 7.904 -0.448 114 H LEU 21 H LEU 21 10.138 5.471 -0.228 115 HA LEU 21 HA LEU 21 10.545 6.255 -2.833 116 HB2 LEU 21 1HB LEU 21 8.902 3.909 -1.891 117 HB3 LEU 21 2HB LEU 21 9.598 4.099 -3.498 118 HG LEU 21 HG LEU 21 11.850 4.244 -2.119 119 HD11 LEU 21 1HD1 LEU 21 11.465 3.965 0.070 120 HD12 LEU 21 2HD1 LEU 21 11.314 2.257 -0.340 121 HD13 LEU 21 3HD1 LEU 21 9.871 3.260 -0.198 122 HD21 LEU 21 3HD2 LEU 21 10.995 2.538 -3.846 123 HD22 LEU 21 1HD2 LEU 21 10.604 1.539 -2.446 124 HD23 LEU 21 2HD2 LEU 21 12.271 2.040 -2.735 125 H LEU 22 H LEU 22 7.480 5.928 -1.103 126 HA LEU 22 HA LEU 22 5.865 6.533 -3.384 127 HB2 LEU 22 1HB LEU 22 5.372 6.278 -0.446 128 HB3 LEU 22 2HB LEU 22 4.129 6.958 -1.495 129 HG LEU 22 HG LEU 22 5.338 4.234 -1.927 130 HD11 LEU 22 1HD1 LEU 22 4.330 4.013 0.170 131 HD12 LEU 22 2HD1 LEU 22 3.096 3.471 -0.968 132 HD13 LEU 22 3HD1 LEU 22 2.994 5.082 -0.258 133 HD21 LEU 22 3HD2 LEU 22 3.954 5.733 -3.668 134 HD22 LEU 22 1HD2 LEU 22 2.617 4.958 -2.818 135 HD23 LEU 22 2HD2 LEU 22 3.849 3.972 -3.607 136 H GLN 23 H GLN 23 6.213 8.351 -0.334 137 HA GLN 23 HA GLN 23 5.116 10.721 -1.043 138 HB2 GLN 23 1HB GLN 23 7.494 10.119 0.689 139 HB3 GLN 23 2HB GLN 23 6.952 11.775 0.456 140 HG2 GLN 23 1HG GLN 23 4.772 11.215 1.355 141 HG3 GLN 23 2HG GLN 23 5.259 9.531 1.530 142 HE21 GLN 23 1HE2 GLN 23 4.303 11.028 3.649 143 HE22 GLN 23 2HE2 GLN 23 5.577 11.273 4.789 144 H ALA 24 H ALA 24 8.413 9.670 -1.788 145 HA ALA 24 HA ALA 24 9.393 12.011 -2.918 146 HB1 ALA 24 1HB ALA 24 11.083 10.700 -3.909 147 HB2 ALA 24 2HB ALA 24 10.651 9.870 -2.414 148 HB3 ALA 24 3HB ALA 24 10.053 9.269 -3.961 149 H LYS 25 H LYS 25 7.554 9.384 -4.434 150 HA LYS 25 HA LYS 25 7.651 10.242 -7.074 151 HB2 LYS 25 1HB LYS 25 6.735 8.070 -6.373 152 HB3 LYS 25 2HB LYS 25 5.354 8.884 -5.649 153 HG2 LYS 25 1HG LYS 25 4.486 8.205 -7.658 154 HG3 LYS 25 2HG LYS 25 5.016 9.843 -8.048 155 HD2 LYS 25 1HD LYS 25 6.889 9.083 -9.221 156 HD3 LYS 25 2HD LYS 25 6.819 7.484 -8.478 157 HE2 LYS 25 1HE LYS 25 4.588 8.470 -10.217 158 HE3 LYS 25 2HE LYS 25 6.040 7.768 -10.928 159 HZ1 LYS 25 3HZ LYS 25 4.141 6.198 -10.505 160 HZ2 LYS 25 1HZ LYS 25 4.452 6.376 -8.851 161 HZ3 LYS 25 2HZ LYS 25 5.635 5.724 -9.869 162 H GLY 26 H GLY 26 5.357 11.129 -4.512 163 HA2 GLY 26 1HA GLY 26 4.129 13.069 -4.263 164 HA3 GLY 26 2HA GLY 26 4.923 13.705 -5.695 165 H GLU 27 H GLU 27 3.510 10.657 -6.174 166 HA GLU 27 HA GLU 27 1.352 11.905 -7.713 167 HB2 GLU 27 1HB GLU 27 2.855 9.341 -7.905 168 HB3 GLU 27 2HB GLU 27 1.190 9.355 -8.472 169 HG2 GLU 27 1HG GLU 27 2.696 9.771 -10.304 170 HG3 GLU 27 2HG GLU 27 1.727 11.207 -9.982 171 HA PRO 28 HA PRO 28 -1.475 10.674 -4.503 172 HB2 PRO 28 1HB PRO 28 -3.722 11.521 -5.769 173 HB3 PRO 28 2HB PRO 28 -2.599 12.624 -4.965 174 HG2 PRO 28 1HG PRO 28 -2.838 11.951 -7.873 175 HG3 PRO 28 2HG PRO 28 -2.596 13.532 -7.105 176 HD2 PRO 28 1HD PRO 28 -0.569 12.130 -8.226 177 HD3 PRO 28 2HD PRO 28 -0.336 13.187 -6.818 178 H TRP 29 H TRP 29 -2.691 8.890 -4.123 179 HA TRP 29 HA TRP 29 -3.793 6.926 -4.459 180 HB2 TRP 29 1HB TRP 29 -4.113 7.654 -7.366 181 HB3 TRP 29 2HB TRP 29 -5.149 6.630 -6.375 182 HD1 TRP 29 HD TRP 29 -5.588 9.652 -8.010 183 HE1 TRP 29 1HE TRP 29 -7.046 11.343 -6.731 184 HE3 TRP 29 3HE TRP 29 -5.314 7.590 -3.340 185 HZ2 TRP 29 2HZ TRP 29 -7.959 11.749 -4.090 186 HZ3 TRP 29 3HZ TRP 29 -6.507 8.692 -1.492 187 HH2 TRP 29 HH TRP 29 -7.802 10.728 -1.861 188 H THR 30 H THR 30 -0.966 7.080 -4.689 189 HA THR 30 HA THR 30 -0.299 5.211 -6.840 190 HB THR 30 HB THR 30 1.484 6.723 -4.922 191 HG1 THR 30 1HG THR 30 0.502 7.966 -6.616 192 HG21 THR 30 3HG2 THR 30 3.350 5.899 -6.262 193 HG22 THR 30 1HG2 THR 30 2.239 4.948 -7.247 194 HG23 THR 30 2HG2 THR 30 2.463 4.557 -5.542 195 H PHE 31 H PHE 31 -0.830 3.178 -6.270 196 HA PHE 31 HA PHE 31 -0.268 2.242 -3.563 197 HB2 PHE 31 1HB PHE 31 -1.637 0.355 -4.067 198 HB3 PHE 31 2HB PHE 31 -2.463 1.763 -4.727 199 HD1 PHE 31 1HD PHE 31 -2.236 2.234 -7.201 200 HD2 PHE 31 2HD PHE 31 -1.078 -1.457 -5.425 201 HE1 PHE 31 1HE PHE 31 -2.328 1.146 -9.407 202 HE2 PHE 31 2HE PHE 31 -1.166 -2.549 -7.627 203 HZ PHE 31 HZ PHE 31 -1.791 -1.248 -9.623 204 H LEU 32 H LEU 32 0.870 0.231 -3.211 205 HA LEU 32 HA LEU 32 2.468 -0.892 -5.318 206 HB2 LEU 32 1HB LEU 32 4.574 -0.185 -4.696 207 HB3 LEU 32 2HB LEU 32 3.609 1.278 -4.517 208 HG LEU 32 HG LEU 32 3.452 0.589 -2.028 209 HD11 LEU 32 1HD1 LEU 32 4.347 -1.448 -1.687 210 HD12 LEU 32 2HD1 LEU 32 5.859 -0.544 -1.606 211 HD13 LEU 32 3HD1 LEU 32 5.392 -1.347 -3.105 212 HD21 LEU 32 3HD2 LEU 32 4.841 2.302 -1.779 213 HD22 LEU 32 1HD2 LEU 32 5.208 2.197 -3.502 214 HD23 LEU 32 2HD2 LEU 32 6.209 1.336 -2.332 215 H VAL 33 H VAL 33 3.174 -2.920 -4.827 216 HA VAL 33 HA VAL 33 2.380 -3.956 -2.200 217 HB VAL 33 HB VAL 33 3.086 -5.538 -4.673 218 HG11 VAL 33 1HG1 VAL 33 1.624 -6.345 -2.161 219 HG12 VAL 33 2HG1 VAL 33 2.005 -7.385 -3.534 220 HG13 VAL 33 3HG1 VAL 33 3.303 -6.735 -2.532 221 HG21 VAL 33 3HG2 VAL 33 1.174 -4.561 -5.431 222 HG22 VAL 33 1HG2 VAL 33 0.453 -5.871 -4.497 223 HG23 VAL 33 2HG2 VAL 33 0.556 -4.251 -3.809 224 H ARG 34 H ARG 34 3.777 -5.090 -0.891 225 HA ARG 34 HA ARG 34 6.467 -5.690 -1.734 226 HB2 ARG 34 1HB ARG 34 7.612 -4.269 -0.158 227 HB3 ARG 34 2HB ARG 34 6.585 -3.269 -1.178 228 HG2 ARG 34 1HG ARG 34 5.028 -2.921 0.547 229 HG3 ARG 34 2HG ARG 34 5.703 -4.225 1.526 230 HD2 ARG 34 1HD ARG 34 7.518 -2.970 2.188 231 HD3 ARG 34 2HD ARG 34 7.436 -1.917 0.777 232 HE ARG 34 HE ARG 34 5.963 -0.566 1.904 233 HH11 ARG 34 2HH1 ARG 34 6.306 -3.584 3.605 234 HH12 ARG 34 1HH1 ARG 34 5.435 -3.046 5.001 235 HH21 ARG 34 2HH2 ARG 34 4.814 0.154 3.738 236 HH22 ARG 34 1HH2 ARG 34 4.585 -0.919 5.077 237 H GLU 35 H GLU 35 7.513 -7.133 -0.366 238 HA GLU 35 HA GLU 35 5.886 -8.816 1.180 239 HB2 GLU 35 1HB GLU 35 8.835 -8.548 0.766 240 HB3 GLU 35 2HB GLU 35 8.249 -9.593 2.052 241 HG2 GLU 35 1HG GLU 35 7.308 -11.093 0.599 242 HG3 GLU 35 2HG GLU 35 7.110 -9.896 -0.680 243 H SER 36 H SER 36 6.570 -9.432 3.511 244 HA SER 36 HA SER 36 6.500 -6.957 5.090 245 HB2 SER 36 1HB SER 36 5.539 -9.762 5.630 246 HB3 SER 36 2HB SER 36 5.725 -8.584 6.929 247 HG SER 36 HG SER 36 4.172 -8.156 4.594 248 H LEU 37 H LEU 37 7.312 -7.670 7.512 249 HA LEU 37 HA LEU 37 10.045 -8.707 7.139 250 HB2 LEU 37 1HB LEU 37 9.204 -6.543 9.058 251 HB3 LEU 37 2HB LEU 37 10.843 -7.124 8.771 252 HG LEU 37 HG LEU 37 9.238 -5.831 6.588 253 HD11 LEU 37 1HD1 LEU 37 10.923 -3.874 7.422 254 HD12 LEU 37 2HD1 LEU 37 10.428 -4.583 8.959 255 HD13 LEU 37 3HD1 LEU 37 9.212 -3.970 7.839 256 HD21 LEU 37 3HD2 LEU 37 11.791 -7.031 6.773 257 HD22 LEU 37 1HD2 LEU 37 12.035 -5.297 6.563 258 HD23 LEU 37 2HD2 LEU 37 11.070 -6.200 5.395 259 H SER 38 H SER 38 7.813 -7.889 9.803 260 HA SER 38 HA SER 38 8.834 -9.991 11.458 261 HB2 SER 38 1HB SER 38 7.882 -7.823 12.316 262 HB3 SER 38 2HB SER 38 6.284 -8.411 11.852 263 HG SER 38 HG SER 38 6.854 -10.295 13.227 264 H GLN 39 H GLN 39 5.471 -9.429 10.425 265 HA GLN 39 HA GLN 39 4.627 -12.060 10.863 266 HB2 GLN 39 1HB GLN 39 3.519 -9.872 9.107 267 HB3 GLN 39 2HB GLN 39 2.711 -11.419 9.324 268 HG2 GLN 39 1HG GLN 39 2.384 -11.019 11.642 269 HG3 GLN 39 2HG GLN 39 3.429 -9.599 11.604 270 HE21 GLN 39 1HE2 GLN 39 0.359 -10.448 11.904 271 HE22 GLN 39 2HE2 GLN 39 -0.430 -9.106 11.155 272 HA PRO 40 HA PRO 40 6.700 -13.949 7.378 273 HB2 PRO 40 1HB PRO 40 5.925 -16.482 7.971 274 HB3 PRO 40 2HB PRO 40 7.244 -15.661 8.813 275 HG2 PRO 40 1HG PRO 40 4.396 -16.031 9.659 276 HG3 PRO 40 2HG PRO 40 5.879 -16.190 10.619 277 HD2 PRO 40 1HD PRO 40 4.314 -13.983 10.711 278 HD3 PRO 40 2HD PRO 40 6.076 -13.914 10.926 279 H GLY 41 H GLY 41 5.908 -13.968 5.374 280 HA2 GLY 41 1HA GLY 41 4.545 -14.716 3.624 281 HA3 GLY 41 2HA GLY 41 3.402 -15.333 4.808 282 H ASP 42 H ASP 42 2.734 -13.204 6.293 283 HA ASP 42 HA ASP 42 0.768 -11.910 4.935 284 HB2 ASP 42 1HB ASP 42 2.398 -11.035 7.309 285 HB3 ASP 42 2HB ASP 42 1.092 -10.033 6.680 286 H PHE 43 H PHE 43 0.528 -10.103 3.697 287 HA PHE 43 HA PHE 43 3.016 -8.853 2.750 288 HB2 PHE 43 1HB PHE 43 0.324 -8.943 1.373 289 HB3 PHE 43 2HB PHE 43 1.830 -8.330 0.694 290 HD1 PHE 43 1HD PHE 43 0.437 -11.441 2.205 291 HD2 PHE 43 2HD PHE 43 3.052 -9.711 -0.673 292 HE1 PHE 43 1HE PHE 43 0.946 -13.681 1.326 293 HE2 PHE 43 2HE PHE 43 3.565 -11.948 -1.558 294 HZ PHE 43 HZ PHE 43 2.511 -13.938 -0.559 295 H VAL 44 H VAL 44 2.613 -6.551 1.877 296 HA VAL 44 HA VAL 44 0.802 -5.070 3.658 297 HB VAL 44 HB VAL 44 3.701 -4.395 3.144 298 HG11 VAL 44 1HG1 VAL 44 3.293 -2.274 3.667 299 HG12 VAL 44 2HG1 VAL 44 1.570 -2.633 3.548 300 HG13 VAL 44 3HG1 VAL 44 2.390 -2.746 5.106 301 HG21 VAL 44 3HG2 VAL 44 2.284 -5.755 5.294 302 HG22 VAL 44 1HG2 VAL 44 4.011 -5.685 4.942 303 HG23 VAL 44 2HG2 VAL 44 3.245 -4.389 5.861 304 H LEU 45 H LEU 45 -0.273 -3.424 2.717 305 HA LEU 45 HA LEU 45 0.448 -2.760 -0.061 306 HB2 LEU 45 1HB LEU 45 -1.642 -3.908 -0.026 307 HB3 LEU 45 2HB LEU 45 -2.238 -2.899 1.290 308 HG LEU 45 HG LEU 45 -2.182 -0.956 -0.295 309 HD11 LEU 45 1HD1 LEU 45 -0.714 -1.533 -1.993 310 HD12 LEU 45 2HD1 LEU 45 -2.291 -1.744 -2.753 311 HD13 LEU 45 3HD1 LEU 45 -1.397 -3.149 -2.173 312 HD21 LEU 45 3HD2 LEU 45 -4.264 -2.066 0.210 313 HD22 LEU 45 1HD2 LEU 45 -3.930 -3.314 -0.990 314 HD23 LEU 45 2HD2 LEU 45 -4.221 -1.652 -1.504 315 H SER 46 H SER 46 1.447 -0.853 -0.082 316 HA SER 46 HA SER 46 0.527 1.258 1.741 317 HB2 SER 46 1HB SER 46 3.072 1.185 0.106 318 HB3 SER 46 2HB SER 46 2.668 2.326 1.388 319 HG SER 46 HG SER 46 3.013 -0.476 1.702 320 H VAL 47 H VAL 47 -0.223 3.191 1.007 321 HA VAL 47 HA VAL 47 -0.186 3.722 -1.871 322 HB VAL 47 HB VAL 47 -2.702 3.726 -0.199 323 HG11 VAL 47 1HG1 VAL 47 -3.569 4.147 -2.701 324 HG12 VAL 47 2HG1 VAL 47 -3.205 5.454 -1.573 325 HG13 VAL 47 3HG1 VAL 47 -2.016 4.978 -2.786 326 HG21 VAL 47 3HG2 VAL 47 -2.064 2.104 -2.658 327 HG22 VAL 47 1HG2 VAL 47 -1.871 1.506 -1.009 328 HG23 VAL 47 2HG2 VAL 47 -3.469 1.955 -1.603 329 H LEU 48 H LEU 48 -0.233 5.883 -2.422 330 HA LEU 48 HA LEU 48 0.190 7.738 -0.194 331 HB2 LEU 48 1HB LEU 48 1.860 7.458 -2.089 332 HB3 LEU 48 2HB LEU 48 0.679 8.273 -3.112 333 HG LEU 48 HG LEU 48 0.819 10.241 -1.583 334 HD11 LEU 48 1HD1 LEU 48 2.999 8.578 -0.346 335 HD12 LEU 48 2HD1 LEU 48 1.585 9.278 0.440 336 HD13 LEU 48 3HD1 LEU 48 2.878 10.326 -0.141 337 HD21 LEU 48 3HD2 LEU 48 3.090 9.222 -3.215 338 HD22 LEU 48 1HD2 LEU 48 3.322 10.696 -2.273 339 HD23 LEU 48 2HD2 LEU 48 2.039 10.615 -3.481 340 H SER 49 H SER 49 -1.814 8.376 0.452 341 HA SER 49 HA SER 49 -3.999 8.894 -1.233 342 HB2 SER 49 1HB SER 49 -4.902 10.173 0.743 343 HB3 SER 49 2HB SER 49 -4.386 8.527 1.109 344 HG SER 49 HG SER 49 -2.262 9.851 1.536 345 H ASP 50 H ASP 50 -4.929 10.859 -1.919 346 HA ASP 50 HA ASP 50 -3.035 12.778 -2.854 347 HB2 ASP 50 1HB ASP 50 -4.839 12.415 -4.311 348 HB3 ASP 50 2HB ASP 50 -6.027 12.532 -3.015 349 H GLN 51 H GLN 51 -4.234 12.368 0.135 350 HA GLN 51 HA GLN 51 -4.724 15.172 0.745 351 HB2 GLN 51 1HB GLN 51 -4.930 12.620 2.320 352 HB3 GLN 51 2HB GLN 51 -4.981 14.186 3.119 353 HG2 GLN 51 1HG GLN 51 -6.881 14.784 1.584 354 HG3 GLN 51 2HG GLN 51 -6.903 13.092 1.089 355 HE21 GLN 51 1HE2 GLN 51 -8.548 12.113 2.011 356 HE22 GLN 51 2HE2 GLN 51 -9.041 12.278 3.659 357 HA PRO 52 HA PRO 52 -0.358 15.634 1.631 358 HB2 PRO 52 1HB PRO 52 -0.492 18.302 2.116 359 HB3 PRO 52 2HB PRO 52 -0.478 17.621 0.484 360 HG2 PRO 52 1HG PRO 52 -2.797 18.576 2.119 361 HG3 PRO 52 2HG PRO 52 -2.457 18.840 0.398 362 HD2 PRO 52 1HD PRO 52 -4.215 16.972 1.267 363 HD3 PRO 52 2HD PRO 52 -3.244 16.759 -0.205 364 H LYS 53 H LYS 53 0.867 15.908 3.486 365 HA LYS 53 HA LYS 53 -0.249 15.281 5.938 366 HB2 LYS 53 1HB LYS 53 2.369 16.428 5.081 367 HB3 LYS 53 2HB LYS 53 1.982 16.428 6.797 368 HG2 LYS 53 1HG LYS 53 1.437 13.917 6.400 369 HG3 LYS 53 2HG LYS 53 2.431 14.123 4.957 370 HD2 LYS 53 1HD LYS 53 4.040 13.495 6.458 371 HD3 LYS 53 2HD LYS 53 4.087 15.246 6.679 372 HE2 LYS 53 1HE LYS 53 2.253 14.740 8.491 373 HE3 LYS 53 2HE LYS 53 2.966 13.128 8.457 374 HZ1 LYS 53 3HZ LYS 53 4.994 15.097 8.584 375 HZ2 LYS 53 1HZ LYS 53 4.659 13.842 9.668 376 HZ3 LYS 53 2HZ LYS 53 3.886 15.336 9.839 377 H ALA 54 H ALA 54 0.812 18.483 4.793 378 HA ALA 54 HA ALA 54 -0.930 19.684 6.846 379 HB1 ALA 54 1HB ALA 54 0.899 21.643 6.205 380 HB2 ALA 54 2HB ALA 54 0.927 20.624 7.645 381 HB3 ALA 54 3HB ALA 54 1.867 20.170 6.224 382 H GLY 55 H GLY 55 0.785 20.847 3.940 383 HA2 GLY 55 1HA GLY 55 -1.770 21.505 2.692 384 HA3 GLY 55 2HA GLY 55 -0.714 22.857 3.078 385 HA PRO 56 HA PRO 56 0.362 21.653 -1.209 386 HB2 PRO 56 1HB PRO 56 0.911 24.190 -2.003 387 HB3 PRO 56 2HB PRO 56 -0.724 23.521 -1.991 388 HG2 PRO 56 1HG PRO 56 0.610 25.297 0.014 389 HG3 PRO 56 2HG PRO 56 -1.038 25.383 -0.635 390 HD2 PRO 56 1HD PRO 56 -0.480 24.316 1.791 391 HD3 PRO 56 2HD PRO 56 -1.812 23.730 0.774 392 H GLY 57 H GLY 57 2.220 20.645 -0.048 393 HA2 GLY 57 1HA GLY 57 4.657 21.355 -1.017 394 HA3 GLY 57 2HA GLY 57 4.537 22.278 0.474 395 H SER 58 H SER 58 2.918 20.139 1.750 396 HA SER 58 HA SER 58 5.130 18.624 2.785 397 HB2 SER 58 1HB SER 58 3.652 17.878 4.459 398 HB3 SER 58 2HB SER 58 3.089 19.509 4.091 399 HG SER 58 HG SER 58 1.479 18.581 2.774 400 HA PRO 59 HA PRO 59 4.814 14.981 0.356 401 HB2 PRO 59 1HB PRO 59 5.531 13.089 2.165 402 HB3 PRO 59 2HB PRO 59 6.683 14.231 1.461 403 HG2 PRO 59 1HG PRO 59 5.308 14.322 4.119 404 HG3 PRO 59 2HG PRO 59 7.000 14.677 3.721 405 HD2 PRO 59 1HD PRO 59 5.153 16.621 4.096 406 HD3 PRO 59 2HD PRO 59 6.508 16.797 2.963 407 H LEU 60 H LEU 60 2.936 14.154 -0.304 408 HA LEU 60 HA LEU 60 0.564 13.928 0.920 409 HB2 LEU 60 1HB LEU 60 1.853 12.069 -1.050 410 HB3 LEU 60 2HB LEU 60 0.202 11.811 -0.490 411 HG LEU 60 HG LEU 60 1.237 14.196 -2.020 412 HD11 LEU 60 1HD1 LEU 60 -0.758 13.213 -3.496 413 HD12 LEU 60 2HD1 LEU 60 -0.213 11.719 -2.734 414 HD13 LEU 60 3HD1 LEU 60 0.917 12.690 -3.679 415 HD21 LEU 60 3HD2 LEU 60 -1.454 13.635 -0.793 416 HD22 LEU 60 1HD2 LEU 60 -1.198 14.828 -2.066 417 HD23 LEU 60 2HD2 LEU 60 -0.397 15.018 -0.507 418 H ARG 61 H ARG 61 -0.604 12.376 2.102 419 HA ARG 61 HA ARG 61 0.910 11.052 4.124 420 HB2 ARG 61 1HB ARG 61 -1.534 12.080 4.139 421 HB3 ARG 61 2HB ARG 61 -1.977 10.437 3.698 422 HG2 ARG 61 1HG ARG 61 -2.125 10.275 5.957 423 HG3 ARG 61 2HG ARG 61 -0.427 9.844 5.750 424 HD2 ARG 61 1HD ARG 61 0.066 12.326 6.064 425 HD3 ARG 61 2HD ARG 61 -1.596 12.466 6.632 426 HE ARG 61 HE ARG 61 -0.038 10.431 7.958 427 HH11 ARG 61 2HH1 ARG 61 -1.035 13.766 7.947 428 HH12 ARG 61 1HH1 ARG 61 -0.739 13.996 9.638 429 HH21 ARG 61 2HH2 ARG 61 0.355 10.720 10.186 430 HH22 ARG 61 1HH2 ARG 61 0.053 12.263 10.911 431 H VAL 62 H VAL 62 1.188 8.867 4.502 432 HA VAL 62 HA VAL 62 0.625 7.109 2.202 433 HB VAL 62 HB VAL 62 2.813 6.645 4.218 434 HG11 VAL 62 1HG1 VAL 62 2.949 4.711 3.128 435 HG12 VAL 62 2HG1 VAL 62 1.779 5.242 1.919 436 HG13 VAL 62 3HG1 VAL 62 3.490 5.619 1.717 437 HG21 VAL 62 3HG2 VAL 62 2.802 8.381 1.789 438 HG22 VAL 62 1HG2 VAL 62 3.562 8.646 3.359 439 HG23 VAL 62 2HG2 VAL 62 4.266 7.498 2.221 440 H THR 63 H THR 63 -0.731 5.485 2.547 441 HA THR 63 HA THR 63 -1.484 4.826 5.295 442 HB THR 63 HB THR 63 -2.797 3.970 2.709 443 HG1 THR 63 1HG THR 63 -4.405 5.565 3.515 444 HG21 THR 63 3HG2 THR 63 -3.913 3.899 5.508 445 HG22 THR 63 1HG2 THR 63 -3.153 2.510 4.731 446 HG23 THR 63 2HG2 THR 63 -4.619 3.211 4.046 447 H HIS 64 H HIS 64 -0.549 3.152 6.250 448 HA HIS 64 HA HIS 64 0.620 1.030 4.603 449 HB2 HIS 64 1HB HIS 64 0.986 1.575 7.556 450 HB3 HIS 64 2HB HIS 64 1.884 0.406 6.591 451 HD1 HIS 64 1HD HIS 64 3.257 1.615 4.499 452 HD2 HIS 64 2HD HIS 64 2.256 3.948 7.789 453 HE1 HIS 64 1HE HIS 64 4.782 3.612 4.397 454 HE2 HIS 64 2HE HIS 64 4.216 4.966 6.444 455 H ILE 65 H ILE 65 -0.841 -0.506 4.159 456 HA ILE 65 HA ILE 65 -2.595 -1.442 6.327 457 HB ILE 65 HB ILE 65 -2.872 -1.795 3.342 458 HG12 ILE 65 1HG1 ILE 65 -4.871 -0.395 5.060 459 HG13 ILE 65 2HG1 ILE 65 -3.389 0.459 4.643 460 HG21 ILE 65 1HG2 ILE 65 -3.677 -3.721 4.738 461 HG22 ILE 65 2HG2 ILE 65 -4.834 -2.611 5.473 462 HG23 ILE 65 3HG2 ILE 65 -4.911 -2.949 3.743 463 HD11 ILE 65 3HD1 ILE 65 -4.050 0.810 2.543 464 HD12 ILE 65 1HD1 ILE 65 -4.703 -0.819 2.370 465 HD13 ILE 65 2HD1 ILE 65 -5.662 0.436 3.155 466 H LYS 66 H LYS 66 -2.595 -3.546 6.967 467 HA LYS 66 HA LYS 66 -0.396 -5.200 5.967 468 HB2 LYS 66 1HB LYS 66 -2.072 -5.379 8.475 469 HB3 LYS 66 2HB LYS 66 -0.853 -6.566 8.027 470 HG2 LYS 66 1HG LYS 66 0.688 -4.434 7.895 471 HG3 LYS 66 2HG LYS 66 -0.525 -3.779 8.998 472 HD2 LYS 66 1HD LYS 66 -0.179 -5.983 10.308 473 HD3 LYS 66 2HD LYS 66 1.317 -6.112 9.381 474 HE2 LYS 66 1HE LYS 66 2.004 -5.015 11.303 475 HE3 LYS 66 2HE LYS 66 1.735 -3.686 10.176 476 HZ1 LYS 66 3HZ LYS 66 -0.116 -2.995 11.286 477 HZ2 LYS 66 1HZ LYS 66 0.764 -3.623 12.587 478 HZ3 LYS 66 2HZ LYS 66 -0.483 -4.530 11.895 479 H VAL 67 H VAL 67 -1.029 -6.379 4.260 480 HA VAL 67 HA VAL 67 -3.694 -7.421 4.004 481 HB VAL 67 HB VAL 67 -1.251 -8.085 2.356 482 HG11 VAL 67 1HG1 VAL 67 -2.660 -9.656 1.576 483 HG12 VAL 67 2HG1 VAL 67 -4.087 -8.849 2.230 484 HG13 VAL 67 3HG1 VAL 67 -3.387 -8.307 0.704 485 HG21 VAL 67 3HG2 VAL 67 -2.763 -6.408 0.833 486 HG22 VAL 67 1HG2 VAL 67 -2.980 -5.720 2.442 487 HG23 VAL 67 2HG2 VAL 67 -1.358 -5.917 1.779 488 H MET 68 H MET 68 -4.436 -9.280 4.778 489 HA MET 68 HA MET 68 -2.613 -11.133 6.059 490 HB2 MET 68 1HB MET 68 -5.592 -10.812 5.975 491 HB3 MET 68 2HB MET 68 -4.890 -12.325 6.532 492 HG2 MET 68 1HG MET 68 -3.719 -11.189 8.297 493 HG3 MET 68 2HG MET 68 -4.256 -9.624 7.693 494 HE1 MET 68 3HE MET 68 -6.524 -9.102 7.220 495 HE2 MET 68 1HE MET 68 -7.973 -9.923 7.801 496 HE3 MET 68 2HE MET 68 -7.182 -8.714 8.812 497 H CYS 69 H CYS 69 -3.090 -13.535 5.750 498 HA CYS 69 HA CYS 69 -3.772 -14.186 2.978 499 HB2 CYS 69 1HB CYS 69 -1.388 -13.976 2.878 500 HB3 CYS 69 2HB CYS 69 -1.185 -14.901 4.361 501 HG CYS 69 HG CYS 69 -2.058 -16.071 1.277 502 H GLU 70 H GLU 70 -5.121 -15.852 2.895 503 HA GLU 70 HA GLU 70 -5.118 -17.769 5.134 504 HB2 GLU 70 1HB GLU 70 -7.473 -16.672 3.593 505 HB3 GLU 70 2HB GLU 70 -7.574 -18.027 4.709 506 HG2 GLU 70 1HG GLU 70 -6.450 -16.282 6.349 507 HG3 GLU 70 2HG GLU 70 -7.222 -15.136 5.255 508 H GLY 71 H GLY 71 -3.866 -19.314 4.115 509 HA2 GLY 71 1HA GLY 71 -3.382 -21.061 2.704 510 HA3 GLY 71 2HA GLY 71 -5.125 -21.229 2.554 511 H GLY 72 H GLY 72 -2.779 -18.775 1.448 512 HA2 GLY 72 1HA GLY 72 -2.136 -18.405 -0.795 513 HA3 GLY 72 2HA GLY 72 -3.475 -19.414 -1.322 514 H ARG 73 H ARG 73 -5.552 -18.188 0.118 515 HA ARG 73 HA ARG 73 -6.133 -16.007 -1.614 516 HB2 ARG 73 1HB ARG 73 -7.585 -16.884 0.888 517 HB3 ARG 73 2HB ARG 73 -8.223 -15.825 -0.363 518 HG2 ARG 73 1HG ARG 73 -8.446 -17.555 -1.893 519 HG3 ARG 73 2HG ARG 73 -7.312 -18.594 -1.028 520 HD2 ARG 73 1HD ARG 73 -9.874 -17.737 0.259 521 HD3 ARG 73 2HD ARG 73 -9.855 -19.082 -0.882 522 HE ARG 73 HE ARG 73 -7.850 -19.609 0.926 523 HH11 ARG 73 2HH1 ARG 73 -11.291 -19.101 1.046 524 HH12 ARG 73 1HH1 ARG 73 -11.526 -20.119 2.427 525 HH21 ARG 73 2HH2 ARG 73 -8.145 -20.954 2.746 526 HH22 ARG 73 1HH2 ARG 73 -9.735 -21.173 3.394 527 H TYR 74 H TYR 74 -6.756 -13.840 -0.897 528 HA TYR 74 HA TYR 74 -5.249 -12.939 1.466 529 HB2 TYR 74 1HB TYR 74 -5.364 -11.610 -1.247 530 HB3 TYR 74 2HB TYR 74 -4.675 -10.869 0.193 531 HD1 TYR 74 1HD TYR 74 -3.173 -13.054 1.404 532 HD2 TYR 74 2HD TYR 74 -3.596 -12.005 -2.698 533 HE1 TYR 74 1HE TYR 74 -1.007 -14.113 0.916 534 HE2 TYR 74 2HE TYR 74 -1.432 -13.062 -3.197 535 HH TYR 74 HH TYR 74 0.025 -14.838 -2.192 536 H THR 75 H THR 75 -6.145 -11.278 2.655 537 HA THR 75 HA THR 75 -8.599 -10.013 1.753 538 HB THR 75 HB THR 75 -9.249 -12.199 2.875 539 HG1 THR 75 1HG THR 75 -10.287 -9.768 3.059 540 HG21 THR 75 3HG2 THR 75 -7.467 -11.323 4.828 541 HG22 THR 75 1HG2 THR 75 -8.580 -12.686 4.951 542 HG23 THR 75 2HG2 THR 75 -9.062 -11.096 5.546 543 H VAL 76 H VAL 76 -9.230 -8.207 3.053 544 HA VAL 76 HA VAL 76 -7.079 -7.231 4.818 545 HB VAL 76 HB VAL 76 -7.809 -4.925 4.143 546 HG11 VAL 76 1HG1 VAL 76 -6.201 -6.809 2.741 547 HG12 VAL 76 2HG1 VAL 76 -6.982 -5.749 1.565 548 HG13 VAL 76 3HG1 VAL 76 -6.003 -5.061 2.861 549 HG21 VAL 76 3HG2 VAL 76 -9.467 -4.542 2.681 550 HG22 VAL 76 1HG2 VAL 76 -8.982 -5.877 1.636 551 HG23 VAL 76 2HG2 VAL 76 -9.974 -6.188 3.061 552 H GLY 77 H GLY 77 -8.138 -8.087 6.666 553 HA2 GLY 77 1HA GLY 77 -9.347 -7.656 8.596 554 HA3 GLY 77 2HA GLY 77 -10.073 -6.273 7.791 555 H GLY 78 H GLY 78 -11.615 -6.959 5.930 556 HA2 GLY 78 1HA GLY 78 -13.800 -8.274 7.056 557 HA3 GLY 78 2HA GLY 78 -13.594 -7.959 5.338 558 H LEU 79 H LEU 79 -14.921 -10.169 5.882 559 HA LEU 79 HA LEU 79 -13.174 -12.450 6.155 560 HB2 LEU 79 1HB LEU 79 -16.115 -12.176 5.577 561 HB3 LEU 79 2HB LEU 79 -15.289 -13.730 5.676 562 HG LEU 79 HG LEU 79 -15.239 -11.797 7.971 563 HD11 LEU 79 1HD1 LEU 79 -17.404 -13.745 7.230 564 HD12 LEU 79 2HD1 LEU 79 -17.556 -12.031 7.614 565 HD13 LEU 79 3HD1 LEU 79 -17.148 -13.185 8.884 566 HD21 LEU 79 3HD2 LEU 79 -15.093 -14.038 9.184 567 HD22 LEU 79 1HD2 LEU 79 -13.683 -13.525 8.258 568 HD23 LEU 79 2HD2 LEU 79 -14.777 -14.741 7.597 569 H GLU 80 H GLU 80 -14.372 -10.508 3.603 570 HA GLU 80 HA GLU 80 -14.618 -12.156 1.445 571 HB2 GLU 80 1HB GLU 80 -13.434 -9.413 1.721 572 HB3 GLU 80 2HB GLU 80 -13.445 -10.219 0.159 573 HG2 GLU 80 1HG GLU 80 -15.991 -10.558 0.734 574 HG3 GLU 80 2HG GLU 80 -15.704 -9.158 1.766 575 H THR 81 H THR 81 -12.968 -12.322 -0.418 576 HA THR 81 HA THR 81 -10.215 -12.660 0.385 577 HB THR 81 HB THR 81 -10.047 -15.026 -0.135 578 HG1 THR 81 1HG THR 81 -11.894 -15.049 -1.595 579 HG21 THR 81 3HG2 THR 81 -10.500 -14.436 2.185 580 HG22 THR 81 1HG2 THR 81 -11.291 -15.956 1.774 581 HG23 THR 81 2HG2 THR 81 -12.235 -14.469 1.872 582 H PHE 82 H PHE 82 -8.830 -13.309 -1.431 583 HA PHE 82 HA PHE 82 -10.034 -13.062 -4.078 584 HB2 PHE 82 1HB PHE 82 -7.744 -11.299 -3.185 585 HB3 PHE 82 2HB PHE 82 -8.491 -11.316 -4.779 586 HD1 PHE 82 2HD PHE 82 -9.208 -10.649 -1.199 587 HD2 PHE 82 1HD PHE 82 -10.293 -9.927 -5.251 588 HE1 PHE 82 2HE PHE 82 -10.806 -8.930 -0.462 589 HE2 PHE 82 1HE PHE 82 -11.893 -8.206 -4.520 590 HZ PHE 82 HZ PHE 82 -12.151 -7.707 -2.123 591 H ASP 83 H ASP 83 -8.812 -13.968 -5.742 592 HA ASP 83 HA ASP 83 -7.363 -16.224 -5.253 593 HB2 ASP 83 1HB ASP 83 -8.012 -16.000 -7.467 594 HB3 ASP 83 2HB ASP 83 -7.429 -14.341 -7.577 595 H SER 84 H SER 84 -5.998 -13.000 -5.901 596 HA SER 84 HA SER 84 -3.803 -13.463 -4.125 597 HB2 SER 84 1HB SER 84 -3.426 -13.753 -7.074 598 HB3 SER 84 2HB SER 84 -2.153 -12.966 -6.142 599 HG SER 84 HG SER 84 -1.605 -15.039 -5.982 600 H LEU 85 H LEU 85 -2.065 -11.592 -4.644 601 HA LEU 85 HA LEU 85 -3.189 -9.201 -3.932 602 HB2 LEU 85 1HB LEU 85 -0.628 -9.983 -5.199 603 HB3 LEU 85 2HB LEU 85 -1.048 -8.272 -5.226 604 HG LEU 85 HG LEU 85 0.333 -8.572 -3.344 605 HD11 LEU 85 1HD1 LEU 85 -2.257 -8.784 -1.922 606 HD12 LEU 85 2HD1 LEU 85 -2.077 -7.481 -3.098 607 HD13 LEU 85 3HD1 LEU 85 -0.955 -7.607 -1.745 608 HD21 LEU 85 3HD2 LEU 85 -0.204 -11.142 -3.385 609 HD22 LEU 85 1HD2 LEU 85 -1.374 -10.697 -2.143 610 HD23 LEU 85 2HD2 LEU 85 0.339 -10.354 -1.903 611 H THR 86 H THR 86 -2.706 -10.477 -7.171 612 HA THR 86 HA THR 86 -3.281 -8.135 -8.618 613 HB THR 86 HB THR 86 -3.825 -10.982 -9.477 614 HG1 THR 86 1HG THR 86 -1.493 -9.421 -9.958 615 HG21 THR 86 3HG2 THR 86 -4.123 -10.225 -11.597 616 HG22 THR 86 1HG2 THR 86 -2.999 -8.882 -11.391 617 HG23 THR 86 2HG2 THR 86 -4.639 -8.765 -10.753 618 H ASP 87 H ASP 87 -5.397 -10.884 -7.791 619 HA ASP 87 HA ASP 87 -7.752 -9.730 -8.832 620 HB2 ASP 87 1HB ASP 87 -7.299 -12.186 -8.222 621 HB3 ASP 87 2HB ASP 87 -7.705 -11.720 -6.572 622 H LEU 88 H LEU 88 -6.270 -9.657 -5.636 623 HA LEU 88 HA LEU 88 -8.441 -8.406 -4.308 624 HB2 LEU 88 1HB LEU 88 -6.640 -9.631 -3.157 625 HB3 LEU 88 2HB LEU 88 -5.506 -8.363 -3.617 626 HG LEU 88 HG LEU 88 -7.910 -7.611 -2.025 627 HD11 LEU 88 1HD1 LEU 88 -5.511 -8.429 -0.505 628 HD12 LEU 88 2HD1 LEU 88 -6.540 -9.721 -1.122 629 HD13 LEU 88 3HD1 LEU 88 -7.216 -8.487 -0.059 630 HD21 LEU 88 3HD2 LEU 88 -5.058 -6.684 -1.797 631 HD22 LEU 88 1HD2 LEU 88 -6.524 -5.875 -1.243 632 HD23 LEU 88 2HD2 LEU 88 -6.189 -6.004 -2.969 633 H VAL 89 H VAL 89 -5.271 -7.031 -5.209 634 HA VAL 89 HA VAL 89 -5.822 -4.379 -4.723 635 HB VAL 89 HB VAL 89 -4.119 -5.463 -6.973 636 HG11 VAL 89 1HG1 VAL 89 -3.099 -3.375 -7.136 637 HG12 VAL 89 2HG1 VAL 89 -4.812 -2.982 -6.969 638 HG13 VAL 89 3HG1 VAL 89 -3.733 -2.837 -5.580 639 HG21 VAL 89 3HG2 VAL 89 -2.547 -6.000 -5.480 640 HG22 VAL 89 1HG2 VAL 89 -2.764 -4.491 -4.591 641 HG23 VAL 89 2HG2 VAL 89 -3.815 -5.869 -4.260 642 H GLU 90 H GLU 90 -6.101 -6.009 -7.887 643 HA GLU 90 HA GLU 90 -7.091 -3.995 -9.421 644 HB2 GLU 90 1HB GLU 90 -7.673 -6.934 -9.382 645 HB3 GLU 90 2HB GLU 90 -8.538 -5.891 -10.503 646 HG2 GLU 90 1HG GLU 90 -6.177 -5.067 -11.170 647 HG3 GLU 90 2HG GLU 90 -5.628 -6.555 -10.400 648 H HIS 91 H HIS 91 -9.180 -6.288 -7.653 649 HA HIS 91 HA HIS 91 -11.597 -5.011 -8.108 650 HB2 HIS 91 1HB HIS 91 -11.563 -7.222 -7.168 651 HB3 HIS 91 2HB HIS 91 -10.688 -6.661 -5.746 652 HD1 HIS 91 1HD HIS 91 -14.053 -7.236 -7.020 653 HD2 HIS 91 2HD HIS 91 -12.306 -4.942 -4.029 654 HE1 HIS 91 1HE HIS 91 -15.937 -6.580 -5.489 655 HE2 HIS 91 2HE HIS 91 -14.870 -5.123 -3.734 656 H PHE 92 H PHE 92 -8.992 -4.066 -6.088 657 HA PHE 92 HA PHE 92 -10.645 -2.244 -4.520 658 HB2 PHE 92 1HB PHE 92 -7.888 -3.318 -4.308 659 HB3 PHE 92 2HB PHE 92 -8.143 -1.688 -3.695 660 HD1 PHE 92 2HD PHE 92 -10.775 -1.789 -2.519 661 HD2 PHE 92 1HD PHE 92 -7.695 -4.726 -2.501 662 HE1 PHE 92 2HE PHE 92 -11.678 -2.717 -0.428 663 HE2 PHE 92 1HE PHE 92 -8.594 -5.661 -0.409 664 HZ PHE 92 HZ PHE 92 -10.587 -4.656 0.631 665 H LYS 93 H LYS 93 -8.661 -2.263 -7.310 666 HA LYS 93 HA LYS 93 -7.921 0.499 -7.275 667 HB2 LYS 93 1HB LYS 93 -8.036 -1.432 -9.600 668 HB3 LYS 93 2HB LYS 93 -7.214 0.124 -9.590 669 HG2 LYS 93 1HG LYS 93 -5.978 -0.953 -7.514 670 HG3 LYS 93 2HG LYS 93 -6.434 -2.447 -8.335 671 HD2 LYS 93 1HD LYS 93 -5.147 -0.239 -9.883 672 HD3 LYS 93 2HD LYS 93 -4.154 -1.298 -8.880 673 HE2 LYS 93 1HE LYS 93 -5.005 -3.244 -10.072 674 HE3 LYS 93 2HE LYS 93 -6.045 -2.209 -11.047 675 HZ1 LYS 93 3HZ LYS 93 -4.332 -2.267 -12.466 676 HZ2 LYS 93 1HZ LYS 93 -3.210 -2.724 -11.285 677 HZ3 LYS 93 2HZ LYS 93 -3.644 -1.099 -11.455 678 H LYS 94 H LYS 94 -10.795 -1.159 -7.969 679 HA LYS 94 HA LYS 94 -11.828 1.081 -9.570 680 HB2 LYS 94 1HB LYS 94 -13.673 -0.447 -10.178 681 HB3 LYS 94 2HB LYS 94 -12.099 -1.078 -10.642 682 HG2 LYS 94 1HG LYS 94 -12.196 -2.354 -8.407 683 HG3 LYS 94 2HG LYS 94 -13.922 -1.990 -8.454 684 HD2 LYS 94 1HD LYS 94 -12.658 -3.138 -10.890 685 HD3 LYS 94 2HD LYS 94 -12.940 -4.207 -9.512 686 HE2 LYS 94 1HE LYS 94 -15.232 -3.983 -9.643 687 HE3 LYS 94 2HE LYS 94 -15.140 -2.430 -10.470 688 HZ1 LYS 94 3HZ LYS 94 -15.639 -4.808 -11.657 689 HZ2 LYS 94 1HZ LYS 94 -13.989 -4.597 -11.967 690 HZ3 LYS 94 2HZ LYS 94 -15.099 -3.417 -12.454 691 H THR 95 H THR 95 -12.392 -0.845 -6.680 692 HA THR 95 HA THR 95 -14.708 0.767 -5.953 693 HB THR 95 HB THR 95 -14.945 -0.739 -4.041 694 HG1 THR 95 1HG THR 95 -12.588 -1.995 -5.046 695 HG21 THR 95 3HG2 THR 95 -16.104 -1.959 -5.505 696 HG22 THR 95 1HG2 THR 95 -14.656 -2.935 -5.744 697 HG23 THR 95 2HG2 THR 95 -14.981 -1.565 -6.807 698 H GLY 96 H GLY 96 -11.708 -0.245 -4.291 699 HA2 GLY 96 1HA GLY 96 -10.211 1.493 -3.432 700 HA3 GLY 96 2HA GLY 96 -11.644 2.433 -3.044 701 H ILE 97 H ILE 97 -9.884 2.141 -1.071 702 HA ILE 97 HA ILE 97 -11.087 0.086 0.668 703 HB ILE 97 HB ILE 97 -8.253 1.128 0.696 704 HG12 ILE 97 1HG1 ILE 97 -9.121 -1.740 0.453 705 HG13 ILE 97 2HG1 ILE 97 -9.049 -0.701 -0.967 706 HG21 ILE 97 1HG2 ILE 97 -9.186 0.836 2.971 707 HG22 ILE 97 2HG2 ILE 97 -9.530 -0.849 2.580 708 HG23 ILE 97 3HG2 ILE 97 -7.863 -0.274 2.617 709 HD11 ILE 97 3HD1 ILE 97 -6.991 -1.710 -1.006 710 HD12 ILE 97 1HD1 ILE 97 -6.633 -0.212 -0.146 711 HD13 ILE 97 2HD1 ILE 97 -6.839 -1.718 0.751 712 H GLU 98 H GLU 98 -11.870 0.719 2.604 713 HA GLU 98 HA GLU 98 -11.705 3.587 3.224 714 HB2 GLU 98 1HB GLU 98 -13.968 2.960 2.938 715 HB3 GLU 98 2HB GLU 98 -13.759 1.483 3.869 716 HG2 GLU 98 1HG GLU 98 -13.923 2.550 5.871 717 HG3 GLU 98 2HG GLU 98 -13.274 4.064 5.244 718 H GLU 99 H GLU 99 -11.046 4.307 5.208 719 HA GLU 99 HA GLU 99 -9.832 2.282 6.961 720 HB2 GLU 99 1HB GLU 99 -9.225 5.237 6.764 721 HB3 GLU 99 2HB GLU 99 -8.383 4.074 7.778 722 HG2 GLU 99 1HG GLU 99 -7.517 2.934 5.857 723 HG3 GLU 99 2HG GLU 99 -8.486 3.934 4.776 724 H ALA 100 H ALA 100 -10.045 2.471 9.230 725 HA ALA 100 HA ALA 100 -12.576 2.948 10.205 726 HB1 ALA 100 1HB ALA 100 -10.761 3.436 12.329 727 HB2 ALA 100 2HB ALA 100 -11.666 1.964 11.971 728 HB3 ALA 100 3HB ALA 100 -10.058 2.200 11.285 729 H SER 101 H SER 101 -9.744 5.061 10.721 730 HA SER 101 HA SER 101 -10.866 7.146 12.032 731 HB2 SER 101 1HB SER 101 -8.694 6.975 10.000 732 HB3 SER 101 2HB SER 101 -9.277 8.580 10.439 733 HG SER 101 HG SER 101 -7.725 6.852 11.855 734 H GLY 102 H GLY 102 -10.889 6.726 8.496 735 HA2 GLY 102 1HA GLY 102 -13.258 7.287 7.641 736 HA3 GLY 102 2HA GLY 102 -12.897 8.869 8.317 737 H ALA 103 H ALA 103 -10.482 6.880 6.753 738 HA ALA 103 HA ALA 103 -10.308 8.896 4.618 739 HB1 ALA 103 1HB ALA 103 -7.974 7.853 4.323 740 HB2 ALA 103 2HB ALA 103 -8.260 8.891 5.721 741 HB3 ALA 103 3HB ALA 103 -8.258 7.137 5.911 742 H PHE 104 H PHE 104 -9.911 8.219 2.457 743 HA PHE 104 HA PHE 104 -10.661 5.425 1.905 744 HB2 PHE 104 1HB PHE 104 -11.783 7.960 0.837 745 HB3 PHE 104 2HB PHE 104 -11.585 6.634 -0.303 746 HD1 PHE 104 2HD PHE 104 -12.811 4.531 0.017 747 HD2 PHE 104 1HD PHE 104 -13.441 7.896 2.545 748 HE1 PHE 104 2HE PHE 104 -14.914 3.534 0.813 749 HE2 PHE 104 1HE PHE 104 -15.546 6.904 3.346 750 HZ PHE 104 HZ PHE 104 -16.285 4.721 2.479 751 H VAL 105 H VAL 105 -8.885 4.463 1.161 752 HA VAL 105 HA VAL 105 -6.867 5.916 -0.304 753 HB VAL 105 HB VAL 105 -7.075 2.981 0.380 754 HG11 VAL 105 1HG1 VAL 105 -5.698 3.078 -1.520 755 HG12 VAL 105 2HG1 VAL 105 -4.920 4.568 -0.985 756 HG13 VAL 105 3HG1 VAL 105 -4.585 3.049 -0.154 757 HG21 VAL 105 3HG2 VAL 105 -5.443 5.206 1.602 758 HG22 VAL 105 1HG2 VAL 105 -6.830 4.402 2.337 759 HG23 VAL 105 2HG2 VAL 105 -5.343 3.502 2.043 760 H TYR 106 H TYR 106 -6.553 5.951 -2.451 761 HA TYR 106 HA TYR 106 -8.282 4.238 -4.113 762 HB2 TYR 106 1HB TYR 106 -7.322 7.046 -4.704 763 HB3 TYR 106 2HB TYR 106 -8.298 6.052 -5.780 764 HD1 TYR 106 1HD TYR 106 -10.121 4.878 -3.641 765 HD2 TYR 106 2HD TYR 106 -8.826 8.857 -4.411 766 HE1 TYR 106 1HE TYR 106 -12.169 5.742 -2.586 767 HE2 TYR 106 2HE TYR 106 -10.868 9.732 -3.358 768 HH TYR 106 HH TYR 106 -12.830 9.228 -2.443 769 H LEU 107 H LEU 107 -7.307 2.964 -5.553 770 HA LEU 107 HA LEU 107 -4.424 3.348 -5.999 771 HB2 LEU 107 1HB LEU 107 -5.938 0.814 -6.533 772 HB3 LEU 107 2HB LEU 107 -4.204 1.032 -6.305 773 HG LEU 107 HG LEU 107 -5.018 1.789 -3.884 774 HD11 LEU 107 1HD1 LEU 107 -7.236 1.508 -3.705 775 HD12 LEU 107 2HD1 LEU 107 -6.827 -0.194 -3.500 776 HD13 LEU 107 3HD1 LEU 107 -7.314 0.410 -5.083 777 HD21 LEU 107 3HD2 LEU 107 -3.816 0.006 -3.327 778 HD22 LEU 107 1HD2 LEU 107 -3.819 -0.463 -5.027 779 HD23 LEU 107 2HD2 LEU 107 -5.058 -1.088 -3.939 780 H ARG 108 H ARG 108 -4.885 4.915 -7.670 781 HA ARG 108 HA ARG 108 -6.262 4.032 -10.052 782 HB2 ARG 108 1HB ARG 108 -4.628 6.539 -9.641 783 HB3 ARG 108 2HB ARG 108 -5.789 6.236 -10.925 784 HG2 ARG 108 1HG ARG 108 -7.420 5.898 -8.868 785 HG3 ARG 108 2HG ARG 108 -6.239 6.948 -8.084 786 HD2 ARG 108 1HD ARG 108 -6.747 8.739 -9.405 787 HD3 ARG 108 2HD ARG 108 -7.217 7.732 -10.774 788 HE ARG 108 HE ARG 108 -8.913 8.682 -8.656 789 HH11 ARG 108 2HH1 ARG 108 -8.470 6.234 -11.092 790 HH12 ARG 108 1HH1 ARG 108 -10.156 5.855 -11.202 791 HH21 ARG 108 2HH2 ARG 108 -11.136 8.191 -8.793 792 HH22 ARG 108 1HH2 ARG 108 -11.672 6.969 -9.895 793 H GLN 109 H GLN 109 -2.923 4.886 -9.177 794 HA GLN 109 HA GLN 109 -2.004 3.216 -11.414 795 HB2 GLN 109 1HB GLN 109 -0.209 4.824 -11.878 796 HB3 GLN 109 2HB GLN 109 -1.797 5.545 -12.106 797 HG2 GLN 109 1HG GLN 109 -0.479 5.862 -9.466 798 HG3 GLN 109 2HG GLN 109 0.131 6.801 -10.828 799 HE21 GLN 109 1HE2 GLN 109 -0.761 8.295 -8.917 800 HE22 GLN 109 2HE2 GLN 109 -2.335 8.933 -9.236 801 HA PRO 110 HA PRO 110 0.467 1.286 -8.317 802 HB2 PRO 110 1HB PRO 110 2.253 0.049 -9.945 803 HB3 PRO 110 2HB PRO 110 0.585 -0.505 -9.751 804 HG2 PRO 110 1HG PRO 110 1.787 1.154 -11.934 805 HG3 PRO 110 2HG PRO 110 0.643 -0.195 -12.055 806 HD2 PRO 110 1HD PRO 110 -0.135 2.393 -12.216 807 HD3 PRO 110 2HD PRO 110 -1.167 1.127 -11.522 808 H TYR 111 H TYR 111 3.138 0.768 -8.425 809 HA TYR 111 HA TYR 111 4.491 3.319 -8.898 810 HB2 TYR 111 1HB TYR 111 3.803 3.418 -6.566 811 HB3 TYR 111 2HB TYR 111 4.514 1.836 -6.262 812 HD1 TYR 111 1HD TYR 111 5.459 5.244 -7.458 813 HD2 TYR 111 2HD TYR 111 6.667 1.714 -5.415 814 HE1 TYR 111 1HE TYR 111 7.590 6.322 -6.870 815 HE2 TYR 111 2HE TYR 111 8.801 2.782 -4.819 816 HH TYR 111 HH TYR 111 9.359 6.131 -5.232 817 H TYR 112 H TYR 112 6.035 2.765 -10.289 818 HA TYR 112 HA TYR 112 7.441 0.215 -9.925 819 HB2 TYR 112 1HB TYR 112 7.083 2.046 -12.285 820 HB3 TYR 112 2HB TYR 112 8.345 0.819 -12.266 821 HD1 TYR 112 2HD TYR 112 4.791 0.771 -11.111 822 HD2 TYR 112 1HD TYR 112 7.735 -0.891 -13.695 823 HE1 TYR 112 2HE TYR 112 3.164 -0.907 -11.875 824 HE2 TYR 112 1HE TYR 112 6.115 -2.574 -14.467 825 HH TYR 112 HH TYR 112 2.946 -2.889 -12.984 826 H SER 113 H SER 113 9.457 0.167 -9.186 827 HA SER 113 HA SER 113 10.778 2.414 -8.198 828 HB2 SER 113 1HB SER 113 12.837 0.742 -8.376 829 HB3 SER 113 2HB SER 113 11.547 0.487 -7.201 830 HG SER 113 HG SER 113 12.218 -0.975 -9.435 831 H GLY 114 H GLY 114 11.573 0.492 -11.100 832 HA2 GLY 114 1HA GLY 114 13.021 1.002 -12.841 833 HA3 GLY 114 2HA GLY 114 11.962 2.399 -12.949 834 HA PRO 115 HA PRO 115 15.810 3.781 -10.350 835 HB2 PRO 115 1HB PRO 115 17.920 2.071 -10.331 836 HB3 PRO 115 2HB PRO 115 16.638 2.030 -9.114 837 HG2 PRO 115 1HG PRO 115 17.000 0.316 -11.542 838 HG3 PRO 115 2HG PRO 115 16.520 -0.155 -9.901 839 HD2 PRO 115 1HD PRO 115 14.732 0.148 -11.911 840 HD3 PRO 115 2HD PRO 115 14.333 0.499 -10.218 841 H SER 116 H SER 116 15.817 2.230 -13.396 842 HA SER 116 HA SER 116 18.069 3.897 -14.306 843 HB2 SER 116 1HB SER 116 18.402 2.313 -16.110 844 HB3 SER 116 2HB SER 116 18.364 1.433 -14.582 845 HG SER 116 HG SER 116 16.033 1.770 -16.135 846 H SER 117 H SER 117 17.832 5.199 -16.093 847 HA SER 117 HA SER 117 15.164 5.327 -17.322 848 HB2 SER 117 1HB SER 117 15.698 7.108 -15.468 849 HB3 SER 117 2HB SER 117 16.655 7.863 -16.741 850 HG SER 117 HG SER 117 14.813 8.044 -17.989 851 H GLY 118 H GLY 118 15.179 5.514 -19.481 852 HA2 GLY 118 1HA GLY 118 16.470 6.848 -21.294 853 HA3 GLY 118 2HA GLY 118 17.798 5.818 -20.782 854 H1 MET 1 H MET 1 14.117 10.610 12.204 855 HA MET 1 HA MET 1 16.174 8.607 12.867 856 HB2 MET 1 1HB MET 1 16.591 9.832 14.923 857 HB3 MET 1 2HB MET 1 16.773 10.903 13.541 858 HG2 MET 1 1HG MET 1 15.563 12.255 14.893 859 HG3 MET 1 2HG MET 1 14.244 11.432 14.065 860 HE1 MET 1 3HE MET 1 15.982 12.314 17.207 861 HE2 MET 1 1HE MET 1 15.386 11.223 18.457 862 HE3 MET 1 2HE MET 1 16.605 10.667 17.311 863 H ASP 2 H ASP 2 13.008 9.909 13.714 864 HA ASP 2 HA ASP 2 12.401 8.308 15.899 865 HB2 ASP 2 1HB ASP 2 10.781 9.702 13.817 866 HB3 ASP 2 2HB ASP 2 9.966 8.545 14.866 867 H ASN 3 H ASN 3 13.057 6.197 15.721 868 HA ASN 3 HA ASN 3 11.919 4.594 13.541 869 HB2 ASN 3 1HB ASN 3 14.363 4.456 13.864 870 HB3 ASN 3 2HB ASN 3 14.105 3.884 15.510 871 HD21 ASN 3 1HD2 ASN 3 12.890 3.119 12.260 872 HD22 ASN 3 2HD2 ASN 3 13.079 1.409 12.409 873 H GLN 4 H GLN 4 10.099 5.375 15.440 874 HA GLN 4 HA GLN 4 9.798 3.203 17.350 875 HB2 GLN 4 1HB GLN 4 7.883 4.467 18.188 876 HB3 GLN 4 2HB GLN 4 9.305 5.495 18.071 877 HG2 GLN 4 1HG GLN 4 8.459 6.695 16.294 878 HG3 GLN 4 2HG GLN 4 7.343 5.412 15.826 879 HE21 GLN 4 1HE2 GLN 4 5.442 6.447 15.891 880 HE22 GLN 4 2HE2 GLN 4 4.783 7.212 17.292 881 H GLY 5 H GLY 5 9.581 2.782 14.410 882 HA2 GLY 5 1HA GLY 5 8.317 1.486 12.996 883 HA3 GLY 5 2HA GLY 5 7.435 0.959 14.422 884 H VAL 6 H VAL 6 7.179 2.535 11.512 885 HA VAL 6 HA VAL 6 5.359 4.601 12.009 886 HB VAL 6 HB VAL 6 4.637 4.308 9.656 887 HG11 VAL 6 1HG1 VAL 6 7.628 4.081 9.837 888 HG12 VAL 6 2HG1 VAL 6 6.665 5.017 8.693 889 HG13 VAL 6 3HG1 VAL 6 6.754 5.511 10.385 890 HG21 VAL 6 3HG2 VAL 6 6.659 2.167 9.257 891 HG22 VAL 6 1HG2 VAL 6 5.089 1.711 9.920 892 HG23 VAL 6 2HG2 VAL 6 5.184 2.514 8.353 893 H ILE 7 H ILE 7 3.150 4.704 12.136 894 HA ILE 7 HA ILE 7 1.797 2.408 13.139 895 HB ILE 7 HB ILE 7 0.532 4.996 12.247 896 HG12 ILE 7 1HG1 ILE 7 2.456 5.309 13.842 897 HG13 ILE 7 2HG1 ILE 7 0.902 5.874 14.445 898 HG21 ILE 7 1HG2 ILE 7 -1.369 4.241 13.134 899 HG22 ILE 7 2HG2 ILE 7 -0.612 2.649 13.126 900 HG23 ILE 7 3HG2 ILE 7 -0.553 3.646 14.580 901 HD11 ILE 7 3HD1 ILE 7 1.476 3.108 15.150 902 HD12 ILE 7 1HD1 ILE 7 2.649 4.260 15.788 903 HD13 ILE 7 2HD1 ILE 7 0.934 4.451 16.157 904 H PTR 8 H PTR 8 0.237 1.136 12.213 905 HA PTR 8 HA PTR 8 0.020 1.325 9.288 906 HB2 PTR 8 2HB PTR 8 -0.087 -0.976 11.208 907 HB3 PTR 8 3HB PTR 8 -0.847 -1.116 9.627 908 HD1 PTR 8 1HD PTR 8 2.394 0.226 10.941 909 HD2 PTR 8 2HD PTR 8 0.431 -2.245 8.087 910 HE1 PTR 8 1HE PTR 8 4.572 -0.354 9.953 911 HE2 PTR 8 2HE PTR 8 2.603 -2.833 7.093 912 H SER 9 H SER 9 -1.763 2.384 8.706 913 HA SER 9 HA SER 9 -4.025 2.879 10.181 914 HB2 SER 9 1HB SER 9 -3.702 2.599 7.190 915 HB3 SER 9 2HB SER 9 -5.182 3.185 7.948 916 HG SER 9 HG SER 9 -4.073 4.935 8.741 917 H ASP 10 H ASP 10 -6.256 2.069 9.836 918 HA ASP 10 HA ASP 10 -6.296 -0.837 9.360 919 HB2 ASP 10 1HB ASP 10 -7.290 0.742 11.672 920 HB3 ASP 10 2HB ASP 10 -8.299 -0.595 11.127 921 H LEU 11 H LEU 11 -8.880 -1.429 9.445 922 HA LEU 11 HA LEU 11 -10.084 0.294 7.381 923 HB2 LEU 11 1HB LEU 11 -10.390 -2.671 7.828 924 HB3 LEU 11 2HB LEU 11 -11.287 -1.736 6.632 925 HG LEU 11 HG LEU 11 -8.313 -2.243 6.660 926 HD11 LEU 11 1HD1 LEU 11 -8.947 -4.137 5.662 927 HD12 LEU 11 2HD1 LEU 11 -9.343 -3.119 4.277 928 HD13 LEU 11 3HD1 LEU 11 -10.601 -3.568 5.429 929 HD21 LEU 11 3HD2 LEU 11 -8.839 0.005 5.837 930 HD22 LEU 11 1HD2 LEU 11 -9.981 -0.689 4.686 931 HD23 LEU 11 2HD2 LEU 11 -8.260 -1.047 4.543 932 H ASN 12 H ASN 12 -12.548 -0.006 7.284 933 HA ASN 12 HA ASN 12 -13.578 0.593 9.921 934 HB2 ASN 12 1HB ASN 12 -14.559 2.066 8.474 935 HB3 ASN 12 2HB ASN 12 -14.519 0.934 7.126 936 HD21 ASN 12 1HD2 ASN 12 -15.976 -1.050 7.536 937 HD22 ASN 12 2HD2 ASN 12 -17.567 -0.686 8.102 938 H LEU 13 H LEU 13 -13.657 -2.016 7.631 939 HA LEU 13 HA LEU 13 -15.893 -3.434 8.218 940 HB2 LEU 13 1HB LEU 13 -13.390 -5.009 8.241 941 HB3 LEU 13 2HB LEU 13 -14.868 -5.245 7.311 942 HG LEU 13 HG LEU 13 -12.559 -3.414 6.705 943 HD11 LEU 13 1HD1 LEU 13 -11.959 -5.009 5.291 944 HD12 LEU 13 2HD1 LEU 13 -13.549 -4.977 4.528 945 HD13 LEU 13 3HD1 LEU 13 -13.258 -6.025 5.917 946 HD21 LEU 13 3HD2 LEU 13 -15.347 -3.004 6.127 947 HD22 LEU 13 1HD2 LEU 13 -14.434 -3.245 4.638 948 HD23 LEU 13 2HD2 LEU 13 -13.962 -1.972 5.764 949 HA PRO 14 HA PRO 14 -13.782 -5.302 12.166 950 HB2 PRO 14 1HB PRO 14 -11.656 -3.932 13.151 951 HB3 PRO 14 2HB PRO 14 -11.493 -5.240 11.975 952 HG2 PRO 14 1HG PRO 14 -11.479 -2.280 11.530 953 HG3 PRO 14 2HG PRO 14 -10.431 -3.523 10.821 954 HD2 PRO 14 1HD PRO 14 -12.535 -2.459 9.489 955 HD3 PRO 14 2HD PRO 14 -12.008 -4.138 9.256 956 HA PRO 15 HA PRO 15 -16.224 -2.076 14.188 957 HB2 PRO 15 1HB PRO 15 -17.412 -3.772 15.944 958 HB3 PRO 15 2HB PRO 15 -17.953 -3.586 14.271 959 HG2 PRO 15 1HG PRO 15 -16.217 -5.707 15.477 960 HG3 PRO 15 2HG PRO 15 -17.547 -5.875 14.314 961 HD2 PRO 15 1HD PRO 15 -14.944 -5.921 13.567 962 HD3 PRO 15 2HD PRO 15 -16.225 -5.271 12.525 Start of MODEL 14 1 H1 GLY 1 H GLY 1 16.551 -7.188 -25.265 2 HA2 GLY 1 1HA GLY 1 14.686 -5.825 -25.359 3 HA3 GLY 1 2HA GLY 1 13.682 -7.267 -25.365 4 H SER 2 H SER 2 12.689 -7.894 -23.524 5 HA SER 2 HA SER 2 13.519 -6.709 -20.983 6 HB2 SER 2 1HB SER 2 11.881 -5.121 -21.631 7 HB3 SER 2 2HB SER 2 10.804 -6.370 -22.255 8 HG SER 2 HG SER 2 11.442 -5.813 -19.551 9 H SER 3 H SER 3 13.432 -8.130 -19.365 10 HA SER 3 HA SER 3 11.605 -10.416 -19.557 11 HB2 SER 3 1HB SER 3 13.375 -11.979 -18.917 12 HB3 SER 3 2HB SER 3 13.799 -11.160 -20.419 13 HG SER 3 HG SER 3 15.577 -10.711 -19.389 14 H GLY 4 H GLY 4 10.460 -10.580 -17.753 15 HA2 GLY 4 1HA GLY 4 10.833 -11.005 -15.268 16 HA3 GLY 4 2HA GLY 4 11.575 -9.412 -15.284 17 H SER 5 H SER 5 9.232 -10.419 -13.805 18 HA SER 5 HA SER 5 6.905 -9.234 -14.979 19 HB2 SER 5 1HB SER 5 6.584 -11.072 -13.462 20 HB3 SER 5 2HB SER 5 7.482 -10.247 -12.188 21 HG SER 5 HG SER 5 5.777 -9.077 -11.729 22 H SER 6 H SER 6 7.015 -7.090 -15.337 23 HA SER 6 HA SER 6 8.170 -5.308 -13.362 24 HB2 SER 6 1HB SER 6 6.909 -4.784 -16.062 25 HB3 SER 6 2HB SER 6 7.607 -3.532 -15.035 26 HG SER 6 HG SER 6 9.508 -5.174 -15.131 27 H GLY 7 H GLY 7 6.047 -6.601 -12.244 28 HA2 GLY 7 1HA GLY 7 3.624 -5.070 -12.505 29 HA3 GLY 7 2HA GLY 7 3.939 -6.334 -11.326 30 H TRP 8 H TRP 8 3.220 -5.303 -9.518 31 HA TRP 8 HA TRP 8 4.634 -2.823 -8.781 32 HB2 TRP 8 1HB TRP 8 2.496 -2.743 -7.153 33 HB3 TRP 8 2HB TRP 8 2.499 -2.031 -8.763 34 HD1 TRP 8 HD TRP 8 0.353 -2.585 -10.018 35 HE1 TRP 8 1HE TRP 8 -1.260 -4.587 -10.141 36 HE3 TRP 8 3HE TRP 8 2.674 -5.704 -6.697 37 HZ2 TRP 8 2HZ TRP 8 -1.515 -7.150 -8.984 38 HZ3 TRP 8 3HZ TRP 8 1.681 -7.912 -6.261 39 HH2 TRP 8 HH TRP 8 -0.370 -8.618 -7.382 40 H TYR 9 H TYR 9 5.248 -5.756 -8.331 41 HA TYR 9 HA TYR 9 5.107 -5.916 -5.418 42 HB2 TYR 9 1HB TYR 9 4.571 -7.871 -7.007 43 HB3 TYR 9 2HB TYR 9 6.312 -7.993 -7.233 44 HD1 TYR 9 1HD TYR 9 3.655 -8.078 -4.638 45 HD2 TYR 9 2HD TYR 9 7.639 -9.146 -5.681 46 HE1 TYR 9 1HE TYR 9 3.817 -9.441 -2.597 47 HE2 TYR 9 2HE TYR 9 7.811 -10.514 -3.643 48 HH TYR 9 HH TYR 9 6.274 -11.688 -2.078 49 H HIS 10 H HIS 10 6.658 -4.798 -4.420 50 HA HIS 10 HA HIS 10 9.274 -4.447 -5.584 51 HB2 HIS 10 1HB HIS 10 8.011 -3.555 -2.996 52 HB3 HIS 10 2HB HIS 10 9.715 -3.279 -3.347 53 HD1 HIS 10 1HD HIS 10 10.282 -1.315 -4.811 54 HD2 HIS 10 2HD HIS 10 6.215 -2.159 -4.770 55 HE1 HIS 10 1HE HIS 10 9.186 0.602 -6.015 56 HE2 HIS 10 2HE HIS 10 6.718 0.111 -5.903 57 H GLY 11 H GLY 11 8.189 -5.747 -2.436 58 HA2 GLY 11 1HA GLY 11 8.865 -7.948 -1.703 59 HA3 GLY 11 2HA GLY 11 10.333 -7.759 -2.650 60 H HIS 12 H HIS 12 11.929 -6.211 -1.900 61 HA HIS 12 HA HIS 12 12.107 -6.247 0.999 62 HB2 HIS 12 1HB HIS 12 14.069 -5.498 -1.170 63 HB3 HIS 12 2HB HIS 12 14.426 -5.326 0.546 64 HD1 HIS 12 1HD HIS 12 15.150 -7.526 -2.048 65 HD2 HIS 12 2HD HIS 12 13.759 -8.088 1.826 66 HE1 HIS 12 1HE HIS 12 15.698 -9.913 -1.476 67 HE2 HIS 12 2HE HIS 12 14.772 -10.254 0.841 68 H MET 13 H MET 13 10.758 -4.683 1.788 69 HA MET 13 HA MET 13 11.669 -1.957 1.513 70 HB2 MET 13 1HB MET 13 9.966 -2.433 -0.360 71 HB3 MET 13 2HB MET 13 8.766 -2.475 0.924 72 HG2 MET 13 1HG MET 13 9.415 -0.190 1.569 73 HG3 MET 13 2HG MET 13 10.549 -0.157 0.221 74 HE1 MET 13 3HE MET 13 9.609 -1.192 -2.106 75 HE2 MET 13 1HE MET 13 8.274 -0.336 -2.877 76 HE3 MET 13 2HE MET 13 9.704 0.552 -2.354 77 H SER 14 H SER 14 11.552 -0.991 3.433 78 HA SER 14 HA SER 14 9.951 -2.262 5.529 79 HB2 SER 14 1HB SER 14 12.463 -1.752 5.773 80 HB3 SER 14 2HB SER 14 11.974 -0.067 5.954 81 HG SER 14 HG SER 14 10.717 -2.029 7.514 82 H GLY 15 H GLY 15 8.752 -0.932 7.043 83 HA2 GLY 15 1HA GLY 15 6.828 0.657 5.993 84 HA3 GLY 15 2HA GLY 15 7.398 0.844 7.646 85 H GLY 16 H GLY 16 9.607 2.086 7.723 86 HA2 GLY 16 1HA GLY 16 9.131 4.721 7.001 87 HA3 GLY 16 2HA GLY 16 10.714 4.071 7.407 88 H GLN 17 H GLN 17 10.746 2.186 5.186 89 HA GLN 17 HA GLN 17 11.939 3.845 3.237 90 HB2 GLN 17 1HB GLN 17 12.249 1.284 3.801 91 HB3 GLN 17 2HB GLN 17 11.025 1.084 2.554 92 HG2 GLN 17 1HG GLN 17 12.464 2.370 1.002 93 HG3 GLN 17 2HG GLN 17 13.708 2.412 2.251 94 HE21 GLN 17 1HE2 GLN 17 13.224 1.061 -0.511 95 HE22 GLN 17 2HE2 GLN 17 13.809 -0.544 -0.251 96 H ALA 18 H ALA 18 9.123 1.691 2.823 97 HA ALA 18 HA ALA 18 8.185 2.432 0.423 98 HB1 ALA 18 1HB ALA 18 6.013 2.418 2.378 99 HB2 ALA 18 2HB ALA 18 6.310 1.356 1.001 100 HB3 ALA 18 3HB ALA 18 7.127 1.059 2.535 101 H GLU 19 H GLU 19 7.406 4.192 3.424 102 HA GLU 19 HA GLU 19 5.821 6.190 2.438 103 HB2 GLU 19 1HB GLU 19 7.764 6.027 4.683 104 HB3 GLU 19 2HB GLU 19 7.190 7.627 4.232 105 HG2 GLU 19 1HG GLU 19 4.877 6.865 4.531 106 HG3 GLU 19 2HG GLU 19 5.477 5.284 5.031 107 H THR 20 H THR 20 9.376 6.209 2.569 108 HA THR 20 HA THR 20 9.782 8.724 1.430 109 HB THR 20 HB THR 20 11.562 6.292 1.160 110 HG1 THR 20 1HG THR 20 11.935 6.605 3.211 111 HG21 THR 20 3HG2 THR 20 13.350 8.099 1.046 112 HG22 THR 20 1HG2 THR 20 12.036 9.237 0.749 113 HG23 THR 20 2HG2 THR 20 12.329 7.914 -0.380 114 H LEU 21 H LEU 21 10.144 5.583 -0.232 115 HA LEU 21 HA LEU 21 10.435 6.456 -2.801 116 HB2 LEU 21 1HB LEU 21 8.790 4.079 -1.947 117 HB3 LEU 21 2HB LEU 21 9.514 4.329 -3.534 118 HG LEU 21 HG LEU 21 11.737 4.420 -2.073 119 HD11 LEU 21 1HD1 LEU 21 11.443 3.844 0.047 120 HD12 LEU 21 2HD1 LEU 21 10.950 2.242 -0.504 121 HD13 LEU 21 3HD1 LEU 21 9.736 3.493 -0.233 122 HD21 LEU 21 3HD2 LEU 21 11.870 2.848 -3.687 123 HD22 LEU 21 1HD2 LEU 21 10.239 2.245 -3.390 124 HD23 LEU 21 2HD2 LEU 21 11.568 1.749 -2.340 125 H LEU 22 H LEU 22 7.335 5.751 -1.194 126 HA LEU 22 HA LEU 22 5.677 6.478 -3.328 127 HB2 LEU 22 1HB LEU 22 5.308 6.294 -0.370 128 HB3 LEU 22 2HB LEU 22 4.027 6.976 -1.369 129 HG LEU 22 HG LEU 22 5.174 4.210 -1.732 130 HD11 LEU 22 1HD1 LEU 22 2.651 3.821 -0.869 131 HD12 LEU 22 2HD1 LEU 22 3.087 5.256 0.060 132 HD13 LEU 22 3HD1 LEU 22 4.068 3.795 0.182 133 HD21 LEU 22 3HD2 LEU 22 2.833 4.063 -2.910 134 HD22 LEU 22 1HD2 LEU 22 4.235 4.708 -3.763 135 HD23 LEU 22 2HD2 LEU 22 3.042 5.807 -3.069 136 H GLN 23 H GLN 23 6.133 8.384 -0.348 137 HA GLN 23 HA GLN 23 5.019 10.735 -1.087 138 HB2 GLN 23 1HB GLN 23 7.516 10.248 0.529 139 HB3 GLN 23 2HB GLN 23 6.820 11.853 0.340 140 HG2 GLN 23 1HG GLN 23 4.749 11.095 1.359 141 HG3 GLN 23 2HG GLN 23 5.408 9.467 1.512 142 HE21 GLN 23 1HE2 GLN 23 4.426 11.013 3.647 143 HE22 GLN 23 2HE2 GLN 23 5.739 11.343 4.720 144 H ALA 24 H ALA 24 8.307 9.683 -1.890 145 HA ALA 24 HA ALA 24 9.231 11.980 -3.139 146 HB1 ALA 24 1HB ALA 24 11.011 10.735 -3.711 147 HB2 ALA 24 2HB ALA 24 10.250 9.507 -2.698 148 HB3 ALA 24 3HB ALA 24 10.021 9.474 -4.447 149 H LYS 25 H LYS 25 7.260 9.354 -4.448 150 HA LYS 25 HA LYS 25 7.296 10.081 -7.139 151 HB2 LYS 25 1HB LYS 25 6.381 7.956 -6.371 152 HB3 LYS 25 2HB LYS 25 5.076 8.793 -5.539 153 HG2 LYS 25 1HG LYS 25 4.053 8.070 -7.473 154 HG3 LYS 25 2HG LYS 25 4.505 9.726 -7.884 155 HD2 LYS 25 1HD LYS 25 6.472 7.587 -8.477 156 HD3 LYS 25 2HD LYS 25 5.026 7.662 -9.486 157 HE2 LYS 25 1HE LYS 25 5.599 9.676 -10.395 158 HE3 LYS 25 2HE LYS 25 6.483 10.196 -8.962 159 HZ1 LYS 25 3HZ LYS 25 8.332 8.906 -9.565 160 HZ2 LYS 25 1HZ LYS 25 7.849 9.670 -10.995 161 HZ3 LYS 25 2HZ LYS 25 7.471 8.043 -10.737 162 H GLY 26 H GLY 26 5.107 11.107 -4.536 163 HA2 GLY 26 1HA GLY 26 3.923 13.080 -4.322 164 HA3 GLY 26 2HA GLY 26 4.668 13.639 -5.813 165 H GLU 27 H GLU 27 3.351 10.654 -6.393 166 HA GLU 27 HA GLU 27 1.070 11.865 -7.749 167 HB2 GLU 27 1HB GLU 27 2.570 9.297 -8.011 168 HB3 GLU 27 2HB GLU 27 0.901 9.351 -8.561 169 HG2 GLU 27 1HG GLU 27 2.739 11.496 -9.466 170 HG3 GLU 27 2HG GLU 27 2.917 9.890 -10.168 171 HA PRO 28 HA PRO 28 -1.610 10.559 -4.445 172 HB2 PRO 28 1HB PRO 28 -3.920 11.367 -5.619 173 HB3 PRO 28 2HB PRO 28 -2.789 12.488 -4.852 174 HG2 PRO 28 1HG PRO 28 -3.127 11.826 -7.751 175 HG3 PRO 28 2HG PRO 28 -2.887 13.408 -6.985 176 HD2 PRO 28 1HD PRO 28 -0.876 12.051 -8.191 177 HD3 PRO 28 2HD PRO 28 -0.610 13.105 -6.787 178 H TRP 29 H TRP 29 -2.783 8.753 -4.029 179 HA TRP 29 HA TRP 29 -3.914 6.796 -4.345 180 HB2 TRP 29 1HB TRP 29 -4.185 7.459 -7.272 181 HB3 TRP 29 2HB TRP 29 -5.235 6.455 -6.277 182 HD1 TRP 29 HD TRP 29 -5.631 9.454 -7.982 183 HE1 TRP 29 1HE TRP 29 -7.128 11.162 -6.769 184 HE3 TRP 29 3HE TRP 29 -5.492 7.459 -3.277 185 HZ2 TRP 29 2HZ TRP 29 -8.118 11.604 -4.164 186 HZ3 TRP 29 3HZ TRP 29 -6.741 8.585 -1.481 187 HH2 TRP 29 HH TRP 29 -8.026 10.615 -1.917 188 H THR 30 H THR 30 -1.008 7.188 -4.798 189 HA THR 30 HA THR 30 -0.326 5.207 -6.807 190 HB THR 30 HB THR 30 1.413 6.789 -4.905 191 HG1 THR 30 1HG THR 30 0.403 7.947 -6.666 192 HG21 THR 30 3HG2 THR 30 3.152 5.956 -6.727 193 HG22 THR 30 1HG2 THR 30 2.029 4.600 -6.822 194 HG23 THR 30 2HG2 THR 30 2.795 5.005 -5.286 195 H PHE 31 H PHE 31 -0.966 3.212 -6.139 196 HA PHE 31 HA PHE 31 -0.385 2.314 -3.439 197 HB2 PHE 31 1HB PHE 31 -1.700 0.398 -3.938 198 HB3 PHE 31 2HB PHE 31 -2.529 1.763 -4.678 199 HD1 PHE 31 1HD PHE 31 -2.384 2.107 -7.131 200 HD2 PHE 31 2HD PHE 31 -0.870 -1.392 -5.237 201 HE1 PHE 31 1HE PHE 31 -2.360 0.946 -9.301 202 HE2 PHE 31 2HE PHE 31 -0.843 -2.557 -7.404 203 HZ PHE 31 HZ PHE 31 -1.587 -1.388 -9.440 204 H LEU 32 H LEU 32 0.563 0.052 -3.219 205 HA LEU 32 HA LEU 32 2.300 -0.985 -5.182 206 HB2 LEU 32 1HB LEU 32 4.366 -0.175 -4.655 207 HB3 LEU 32 2HB LEU 32 3.379 1.255 -4.357 208 HG LEU 32 HG LEU 32 3.369 0.246 -1.891 209 HD11 LEU 32 1HD1 LEU 32 4.828 -1.673 -2.834 210 HD12 LEU 32 2HD1 LEU 32 5.260 -0.941 -1.290 211 HD13 LEU 32 3HD1 LEU 32 6.135 -0.491 -2.754 212 HD21 LEU 32 3HD2 LEU 32 5.890 1.577 -2.247 213 HD22 LEU 32 1HD2 LEU 32 4.403 2.171 -1.506 214 HD23 LEU 32 2HD2 LEU 32 4.649 2.335 -3.245 215 H VAL 33 H VAL 33 2.978 -2.998 -4.628 216 HA VAL 33 HA VAL 33 2.144 -3.974 -2.001 217 HB VAL 33 HB VAL 33 3.105 -5.626 -4.333 218 HG11 VAL 33 1HG1 VAL 33 3.121 -6.738 -2.153 219 HG12 VAL 33 2HG1 VAL 33 1.420 -6.324 -1.929 220 HG13 VAL 33 3HG1 VAL 33 1.898 -7.429 -3.218 221 HG21 VAL 33 3HG2 VAL 33 0.448 -4.403 -3.783 222 HG22 VAL 33 1HG2 VAL 33 1.272 -4.670 -5.318 223 HG23 VAL 33 2HG2 VAL 33 0.503 -6.020 -4.482 224 H ARG 34 H ARG 34 3.510 -5.259 -0.692 225 HA ARG 34 HA ARG 34 6.256 -5.688 -1.308 226 HB2 ARG 34 1HB ARG 34 7.122 -4.205 0.556 227 HB3 ARG 34 2HB ARG 34 6.584 -3.377 -0.898 228 HG2 ARG 34 1HG ARG 34 4.810 -2.408 0.138 229 HG3 ARG 34 2HG ARG 34 4.607 -3.739 1.278 230 HD2 ARG 34 1HD ARG 34 6.932 -1.831 1.372 231 HD3 ARG 34 2HD ARG 34 5.428 -1.557 2.250 232 HE ARG 34 HE ARG 34 6.747 -4.101 2.717 233 HH11 ARG 34 2HH1 ARG 34 6.187 -0.834 3.780 234 HH12 ARG 34 1HH1 ARG 34 6.664 -1.146 5.417 235 HH21 ARG 34 2HH2 ARG 34 7.378 -4.524 4.869 236 HH22 ARG 34 1HH2 ARG 34 7.342 -3.245 6.033 237 H GLU 35 H GLU 35 6.512 -7.621 -0.417 238 HA GLU 35 HA GLU 35 4.940 -8.687 1.638 239 HB2 GLU 35 1HB GLU 35 6.917 -10.358 1.815 240 HB3 GLU 35 2HB GLU 35 5.988 -10.289 0.324 241 HG2 GLU 35 1HG GLU 35 7.692 -9.337 -0.863 242 HG3 GLU 35 2HG GLU 35 8.415 -8.591 0.562 243 H SER 36 H SER 36 5.173 -8.849 3.818 244 HA SER 36 HA SER 36 6.623 -6.854 5.175 245 HB2 SER 36 1HB SER 36 5.704 -9.352 6.561 246 HB3 SER 36 2HB SER 36 5.670 -7.685 7.133 247 HG SER 36 HG SER 36 4.143 -7.547 5.130 248 H LEU 37 H LEU 37 8.231 -7.252 6.908 249 HA LEU 37 HA LEU 37 10.333 -9.000 5.897 250 HB2 LEU 37 1HB LEU 37 10.346 -6.871 8.029 251 HB3 LEU 37 2HB LEU 37 11.757 -7.813 7.550 252 HG LEU 37 HG LEU 37 10.239 -6.035 5.650 253 HD11 LEU 37 1HD1 LEU 37 11.392 -4.222 6.294 254 HD12 LEU 37 2HD1 LEU 37 12.857 -5.145 6.631 255 HD13 LEU 37 3HD1 LEU 37 11.558 -5.088 7.823 256 HD21 LEU 37 3HD2 LEU 37 13.099 -6.865 5.418 257 HD22 LEU 37 1HD2 LEU 37 11.961 -6.390 4.157 258 HD23 LEU 37 2HD2 LEU 37 11.818 -7.973 4.922 259 H SER 38 H SER 38 8.819 -8.270 9.042 260 HA SER 38 HA SER 38 9.853 -10.759 10.138 261 HB2 SER 38 1HB SER 38 8.173 -8.605 11.445 262 HB3 SER 38 2HB SER 38 8.943 -9.960 12.272 263 HG SER 38 HG SER 38 10.963 -9.109 11.583 264 H GLN 39 H GLN 39 6.639 -9.219 10.264 265 HA GLN 39 HA GLN 39 5.065 -11.264 10.985 266 HB2 GLN 39 1HB GLN 39 4.480 -8.858 10.108 267 HB3 GLN 39 2HB GLN 39 4.175 -9.699 8.595 268 HG2 GLN 39 1HG GLN 39 2.092 -9.727 9.517 269 HG3 GLN 39 2HG GLN 39 2.725 -11.263 10.107 270 HE21 GLN 39 1HE2 GLN 39 2.659 -11.631 12.214 271 HE22 GLN 39 2HE2 GLN 39 2.361 -10.445 13.434 272 HA PRO 40 HA PRO 40 6.249 -14.259 7.795 273 HB2 PRO 40 1HB PRO 40 5.428 -16.416 9.222 274 HB3 PRO 40 2HB PRO 40 6.992 -15.634 9.478 275 HG2 PRO 40 1HG PRO 40 4.448 -15.332 11.026 276 HG3 PRO 40 2HG PRO 40 6.109 -15.486 11.625 277 HD2 PRO 40 1HD PRO 40 4.835 -13.103 11.463 278 HD3 PRO 40 2HD PRO 40 6.589 -13.265 11.239 279 H GLY 41 H GLY 41 4.948 -14.581 6.107 280 HA2 GLY 41 1HA GLY 41 3.111 -15.264 4.889 281 HA3 GLY 41 2HA GLY 41 2.398 -15.851 6.384 282 H ASP 42 H ASP 42 3.443 -12.562 5.601 283 HA ASP 42 HA ASP 42 0.660 -11.692 5.445 284 HB2 ASP 42 1HB ASP 42 2.650 -10.656 7.470 285 HB3 ASP 42 2HB ASP 42 1.154 -9.821 7.060 286 H PHE 43 H PHE 43 0.384 -9.614 4.493 287 HA PHE 43 HA PHE 43 2.778 -8.576 3.130 288 HB2 PHE 43 1HB PHE 43 0.021 -9.014 1.977 289 HB3 PHE 43 2HB PHE 43 1.266 -8.055 1.185 290 HD1 PHE 43 1HD PHE 43 0.566 -11.451 2.508 291 HD2 PHE 43 2HD PHE 43 2.836 -9.071 -0.193 292 HE1 PHE 43 1HE PHE 43 1.473 -13.492 1.478 293 HE2 PHE 43 2HE PHE 43 3.746 -11.109 -1.230 294 HZ PHE 43 HZ PHE 43 3.065 -13.324 -0.395 295 H VAL 44 H VAL 44 2.214 -6.336 2.113 296 HA VAL 44 HA VAL 44 0.434 -4.782 3.835 297 HB VAL 44 HB VAL 44 3.359 -4.129 3.453 298 HG11 VAL 44 1HG1 VAL 44 2.845 -1.996 3.788 299 HG12 VAL 44 2HG1 VAL 44 1.131 -2.406 3.876 300 HG13 VAL 44 3HG1 VAL 44 2.118 -2.422 5.337 301 HG21 VAL 44 3HG2 VAL 44 3.712 -4.684 5.651 302 HG22 VAL 44 1HG2 VAL 44 2.030 -4.404 6.105 303 HG23 VAL 44 2HG2 VAL 44 2.475 -5.864 5.219 304 H LEU 45 H LEU 45 -0.716 -3.383 2.677 305 HA LEU 45 HA LEU 45 0.183 -2.761 -0.049 306 HB2 LEU 45 1HB LEU 45 -1.928 -3.804 -0.101 307 HB3 LEU 45 2HB LEU 45 -2.526 -2.833 1.242 308 HG LEU 45 HG LEU 45 -2.351 -0.837 -0.327 309 HD11 LEU 45 1HD1 LEU 45 -2.201 -1.177 -2.640 310 HD12 LEU 45 2HD1 LEU 45 -2.396 -2.923 -2.485 311 HD13 LEU 45 3HD1 LEU 45 -0.900 -2.152 -1.957 312 HD21 LEU 45 3HD2 LEU 45 -4.345 -2.618 -1.536 313 HD22 LEU 45 1HD2 LEU 45 -4.549 -1.068 -0.721 314 HD23 LEU 45 2HD2 LEU 45 -4.387 -2.547 0.226 315 H SER 46 H SER 46 1.333 -0.925 -0.020 316 HA SER 46 HA SER 46 0.518 1.284 1.699 317 HB2 SER 46 1HB SER 46 2.881 1.176 -0.184 318 HB3 SER 46 2HB SER 46 2.630 2.293 1.158 319 HG SER 46 HG SER 46 2.656 -0.463 1.669 320 H VAL 47 H VAL 47 -0.222 3.240 0.984 321 HA VAL 47 HA VAL 47 -0.441 3.723 -1.885 322 HB VAL 47 HB VAL 47 -2.831 3.665 -0.040 323 HG11 VAL 47 1HG1 VAL 47 -4.001 4.213 -2.303 324 HG12 VAL 47 2HG1 VAL 47 -3.291 5.514 -1.344 325 HG13 VAL 47 3HG1 VAL 47 -2.425 4.873 -2.742 326 HG21 VAL 47 3HG2 VAL 47 -2.051 1.485 -0.971 327 HG22 VAL 47 1HG2 VAL 47 -3.680 1.941 -1.472 328 HG23 VAL 47 2HG2 VAL 47 -2.327 2.133 -2.588 329 H LEU 48 H LEU 48 -0.142 5.809 -2.386 330 HA LEU 48 HA LEU 48 0.224 7.701 -0.206 331 HB2 LEU 48 1HB LEU 48 1.854 7.384 -2.122 332 HB3 LEU 48 2HB LEU 48 0.664 8.191 -3.141 333 HG LEU 48 HG LEU 48 0.847 10.188 -1.663 334 HD11 LEU 48 1HD1 LEU 48 3.054 8.561 -0.419 335 HD12 LEU 48 2HD1 LEU 48 1.618 9.209 0.372 336 HD13 LEU 48 3HD1 LEU 48 2.871 10.303 -0.210 337 HD21 LEU 48 3HD2 LEU 48 3.257 9.143 -3.122 338 HD22 LEU 48 1HD2 LEU 48 3.202 10.765 -2.433 339 HD23 LEU 48 2HD2 LEU 48 2.047 10.298 -3.680 340 H SER 49 H SER 49 -1.776 8.345 0.470 341 HA SER 49 HA SER 49 -3.979 8.892 -1.174 342 HB2 SER 49 1HB SER 49 -4.811 10.215 0.815 343 HB3 SER 49 2HB SER 49 -4.344 8.553 1.169 344 HG SER 49 HG SER 49 -2.170 9.881 1.523 345 H ASP 50 H ASP 50 -4.913 10.887 -1.812 346 HA ASP 50 HA ASP 50 -3.023 12.754 -2.849 347 HB2 ASP 50 1HB ASP 50 -4.831 12.608 -4.258 348 HB3 ASP 50 2HB ASP 50 -5.982 12.428 -2.936 349 H GLN 51 H GLN 51 -4.151 12.389 0.200 350 HA GLN 51 HA GLN 51 -4.536 15.189 0.838 351 HB2 GLN 51 1HB GLN 51 -4.431 12.738 2.603 352 HB3 GLN 51 2HB GLN 51 -4.803 14.361 3.165 353 HG2 GLN 51 1HG GLN 51 -6.817 14.421 1.897 354 HG3 GLN 51 2HG GLN 51 -6.405 12.919 1.070 355 HE21 GLN 51 1HE2 GLN 51 -7.006 11.038 1.947 356 HE22 GLN 51 2HE2 GLN 51 -7.764 10.862 3.490 357 HA PRO 52 HA PRO 52 -0.143 15.742 1.415 358 HB2 PRO 52 1HB PRO 52 -0.297 18.373 2.065 359 HB3 PRO 52 2HB PRO 52 -0.417 17.787 0.403 360 HG2 PRO 52 1HG PRO 52 -2.598 18.576 2.293 361 HG3 PRO 52 2HG PRO 52 -2.425 18.947 0.569 362 HD2 PRO 52 1HD PRO 52 -4.049 16.981 1.481 363 HD3 PRO 52 2HD PRO 52 -3.214 16.881 -0.083 364 H LYS 53 H LYS 53 1.266 16.132 3.166 365 HA LYS 53 HA LYS 53 0.228 15.414 5.716 366 HB2 LYS 53 1HB LYS 53 2.903 16.026 4.579 367 HB3 LYS 53 2HB LYS 53 2.723 16.195 6.320 368 HG2 LYS 53 1HG LYS 53 1.628 13.806 6.085 369 HG3 LYS 53 2HG LYS 53 2.618 13.761 4.625 370 HD2 LYS 53 1HD LYS 53 3.922 12.818 6.375 371 HD3 LYS 53 2HD LYS 53 4.575 14.428 6.061 372 HE2 LYS 53 1HE LYS 53 2.466 14.145 8.138 373 HE3 LYS 53 2HE LYS 53 4.088 13.569 8.518 374 HZ1 LYS 53 3HZ LYS 53 4.561 15.991 7.430 375 HZ2 LYS 53 1HZ LYS 53 4.464 15.679 9.089 376 HZ3 LYS 53 2HZ LYS 53 3.113 16.265 8.259 377 H ALA 54 H ALA 54 1.519 18.423 4.356 378 HA ALA 54 HA ALA 54 0.316 19.860 6.629 379 HB1 ALA 54 1HB ALA 54 2.202 21.577 6.126 380 HB2 ALA 54 2HB ALA 54 2.562 20.140 7.084 381 HB3 ALA 54 3HB ALA 54 3.009 20.198 5.379 382 H GLY 55 H GLY 55 1.377 20.099 3.246 383 HA2 GLY 55 1HA GLY 55 -0.602 20.896 1.820 384 HA3 GLY 55 2HA GLY 55 -0.539 22.306 2.868 385 HA PRO 56 HA PRO 56 2.652 24.205 0.527 386 HB2 PRO 56 1HB PRO 56 4.733 24.649 2.213 387 HB3 PRO 56 2HB PRO 56 3.211 25.542 2.311 388 HG2 PRO 56 1HG PRO 56 4.145 23.207 3.935 389 HG3 PRO 56 2HG PRO 56 3.315 24.681 4.468 390 HD2 PRO 56 1HD PRO 56 2.022 22.328 4.115 391 HD3 PRO 56 2HD PRO 56 1.244 23.898 3.827 392 H GLY 57 H GLY 57 2.948 22.215 -0.760 393 HA2 GLY 57 1HA GLY 57 4.301 20.694 -1.819 394 HA3 GLY 57 2HA GLY 57 5.649 21.608 -1.158 395 H SER 58 H SER 58 3.230 20.013 0.815 396 HA SER 58 HA SER 58 5.296 18.520 2.165 397 HB2 SER 58 1HB SER 58 3.455 17.765 3.640 398 HB3 SER 58 2HB SER 58 3.491 19.520 3.473 399 HG SER 58 HG SER 58 1.838 17.831 1.906 400 HA PRO 59 HA PRO 59 4.933 14.727 -0.022 401 HB2 PRO 59 1HB PRO 59 5.619 12.978 1.938 402 HB3 PRO 59 2HB PRO 59 6.789 14.037 1.143 403 HG2 PRO 59 1HG PRO 59 5.418 14.373 3.782 404 HG3 PRO 59 2HG PRO 59 7.116 14.663 3.359 405 HD2 PRO 59 1HD PRO 59 5.304 16.665 3.570 406 HD3 PRO 59 2HD PRO 59 6.662 16.722 2.427 407 H LEU 60 H LEU 60 2.952 14.059 -0.601 408 HA LEU 60 HA LEU 60 0.632 13.914 0.724 409 HB2 LEU 60 1HB LEU 60 1.778 12.045 -1.315 410 HB3 LEU 60 2HB LEU 60 0.164 11.780 -0.660 411 HG LEU 60 HG LEU 60 1.088 14.213 -2.187 412 HD11 LEU 60 1HD1 LEU 60 -0.899 12.093 -2.981 413 HD12 LEU 60 2HD1 LEU 60 0.783 12.119 -3.509 414 HD13 LEU 60 3HD1 LEU 60 -0.303 13.431 -3.963 415 HD21 LEU 60 3HD2 LEU 60 -1.457 14.623 -2.166 416 HD22 LEU 60 1HD2 LEU 60 -0.524 15.034 -0.727 417 HD23 LEU 60 2HD2 LEU 60 -1.466 13.544 -0.770 418 H ARG 61 H ARG 61 -0.481 12.534 2.083 419 HA ARG 61 HA ARG 61 1.034 11.147 4.015 420 HB2 ARG 61 1HB ARG 61 -1.411 12.188 4.055 421 HB3 ARG 61 2HB ARG 61 -1.862 10.534 3.667 422 HG2 ARG 61 1HG ARG 61 -1.953 10.408 5.927 423 HG3 ARG 61 2HG ARG 61 -0.248 10.013 5.702 424 HD2 ARG 61 1HD ARG 61 -0.036 11.632 7.288 425 HD3 ARG 61 2HD ARG 61 -0.003 12.647 5.846 426 HE ARG 61 HE ARG 61 -1.950 13.595 6.549 427 HH11 ARG 61 2HH1 ARG 61 -1.618 10.487 8.084 428 HH12 ARG 61 1HH1 ARG 61 -3.031 10.678 9.068 429 HH21 ARG 61 2HH2 ARG 61 -3.813 13.856 7.840 430 HH22 ARG 61 1HH2 ARG 61 -4.279 12.593 8.928 431 H VAL 62 H VAL 62 1.234 8.945 4.450 432 HA VAL 62 HA VAL 62 0.676 7.180 2.156 433 HB VAL 62 HB VAL 62 2.806 6.681 4.223 434 HG11 VAL 62 1HG1 VAL 62 1.930 5.429 1.694 435 HG12 VAL 62 2HG1 VAL 62 3.670 5.512 1.974 436 HG13 VAL 62 3HG1 VAL 62 2.626 4.700 3.141 437 HG21 VAL 62 3HG2 VAL 62 3.925 8.432 3.402 438 HG22 VAL 62 1HG2 VAL 62 4.119 7.476 1.933 439 HG23 VAL 62 2HG2 VAL 62 2.792 8.632 2.065 440 H THR 63 H THR 63 -0.706 5.572 2.481 441 HA THR 63 HA THR 63 -1.510 4.941 5.228 442 HB THR 63 HB THR 63 -2.852 4.275 2.600 443 HG1 THR 63 1HG THR 63 -3.115 6.327 4.486 444 HG21 THR 63 3HG2 THR 63 -3.809 3.813 5.429 445 HG22 THR 63 1HG2 THR 63 -3.275 2.560 4.309 446 HG23 THR 63 2HG2 THR 63 -4.728 3.497 3.957 447 H HIS 64 H HIS 64 -0.989 3.074 6.166 448 HA HIS 64 HA HIS 64 0.151 0.946 4.477 449 HB2 HIS 64 1HB HIS 64 0.691 1.446 7.410 450 HB3 HIS 64 2HB HIS 64 1.498 0.272 6.374 451 HD1 HIS 64 1HD HIS 64 2.970 1.366 4.379 452 HD2 HIS 64 2HD HIS 64 1.892 3.886 7.501 453 HE1 HIS 64 1HE HIS 64 4.517 3.341 4.213 454 HE2 HIS 64 2HE HIS 64 3.903 4.812 6.164 455 H ILE 65 H ILE 65 -1.274 -0.632 4.175 456 HA ILE 65 HA ILE 65 -3.004 -1.411 6.430 457 HB ILE 65 HB ILE 65 -3.520 -1.789 3.477 458 HG12 ILE 65 1HG1 ILE 65 -5.227 -0.112 5.266 459 HG13 ILE 65 2HG1 ILE 65 -3.706 0.560 4.689 460 HG21 ILE 65 1HG2 ILE 65 -4.750 -2.900 5.893 461 HG22 ILE 65 2HG2 ILE 65 -5.891 -2.192 4.752 462 HG23 ILE 65 3HG2 ILE 65 -4.799 -3.473 4.226 463 HD11 ILE 65 3HD1 ILE 65 -4.454 0.784 2.579 464 HD12 ILE 65 1HD1 ILE 65 -5.435 -0.680 2.652 465 HD13 ILE 65 2HD1 ILE 65 -6.022 0.813 3.385 466 H LYS 66 H LYS 66 -2.875 -3.434 7.189 467 HA LYS 66 HA LYS 66 -0.850 -5.192 6.118 468 HB2 LYS 66 1HB LYS 66 -2.533 -5.104 8.575 469 HB3 LYS 66 2HB LYS 66 -1.893 -6.665 8.079 470 HG2 LYS 66 1HG LYS 66 0.285 -6.051 8.467 471 HG3 LYS 66 2HG LYS 66 -0.049 -4.330 8.257 472 HD2 LYS 66 1HD LYS 66 -1.423 -4.491 10.389 473 HD3 LYS 66 2HD LYS 66 -0.692 -6.080 10.620 474 HE2 LYS 66 1HE LYS 66 1.095 -3.769 10.064 475 HE3 LYS 66 2HE LYS 66 0.367 -3.891 11.663 476 HZ1 LYS 66 3HZ LYS 66 2.161 -5.158 12.063 477 HZ2 LYS 66 1HZ LYS 66 2.419 -5.530 10.433 478 HZ3 LYS 66 2HZ LYS 66 1.255 -6.378 11.319 479 H VAL 67 H VAL 67 -1.331 -6.381 4.389 480 HA VAL 67 HA VAL 67 -4.038 -7.304 3.910 481 HB VAL 67 HB VAL 67 -1.522 -7.746 2.297 482 HG11 VAL 67 1HG1 VAL 67 -4.242 -7.999 1.135 483 HG12 VAL 67 2HG1 VAL 67 -2.745 -8.830 0.706 484 HG13 VAL 67 3HG1 VAL 67 -3.649 -9.320 2.140 485 HG21 VAL 67 3HG2 VAL 67 -2.175 -5.950 0.931 486 HG22 VAL 67 1HG2 VAL 67 -3.791 -5.894 1.632 487 HG23 VAL 67 2HG2 VAL 67 -2.401 -5.367 2.579 488 H MET 68 H MET 68 -4.704 -9.042 4.996 489 HA MET 68 HA MET 68 -3.024 -10.996 6.123 490 HB2 MET 68 1HB MET 68 -5.951 -10.713 5.671 491 HB3 MET 68 2HB MET 68 -5.339 -12.321 6.036 492 HG2 MET 68 1HG MET 68 -4.367 -11.511 8.102 493 HG3 MET 68 2HG MET 68 -4.898 -9.873 7.729 494 HE1 MET 68 3HE MET 68 -7.382 -9.609 6.839 495 HE2 MET 68 1HE MET 68 -8.729 -10.129 7.852 496 HE3 MET 68 2HE MET 68 -7.521 -9.016 8.495 497 H CYS 69 H CYS 69 -2.561 -13.113 5.514 498 HA CYS 69 HA CYS 69 -3.070 -13.749 2.682 499 HB2 CYS 69 1HB CYS 69 -0.768 -13.279 2.763 500 HB3 CYS 69 2HB CYS 69 -0.571 -14.065 4.324 501 HG CYS 69 HG CYS 69 -0.653 -15.436 1.234 502 H GLU 70 H GLU 70 -4.699 -15.195 2.833 503 HA GLU 70 HA GLU 70 -4.757 -17.211 4.889 504 HB2 GLU 70 1HB GLU 70 -6.536 -16.370 2.659 505 HB3 GLU 70 2HB GLU 70 -6.694 -18.023 3.237 506 HG2 GLU 70 1HG GLU 70 -6.830 -16.919 5.579 507 HG3 GLU 70 2HG GLU 70 -7.227 -15.462 4.669 508 H GLY 71 H GLY 71 -5.561 -19.498 3.786 509 HA2 GLY 71 1HA GLY 71 -3.451 -21.001 3.191 510 HA3 GLY 71 2HA GLY 71 -4.993 -21.285 2.397 511 H GLY 72 H GLY 72 -5.336 -19.540 0.529 512 HA2 GLY 72 1HA GLY 72 -2.819 -19.231 -0.960 513 HA3 GLY 72 2HA GLY 72 -4.149 -20.106 -1.705 514 H ARG 73 H ARG 73 -5.530 -17.799 0.181 515 HA ARG 73 HA ARG 73 -5.660 -15.897 -2.067 516 HB2 ARG 73 1HB ARG 73 -7.785 -16.265 0.041 517 HB3 ARG 73 2HB ARG 73 -7.916 -15.410 -1.490 518 HG2 ARG 73 1HG ARG 73 -8.993 -17.326 -2.045 519 HG3 ARG 73 2HG ARG 73 -7.345 -17.805 -2.458 520 HD2 ARG 73 1HD ARG 73 -7.107 -18.875 -0.273 521 HD3 ARG 73 2HD ARG 73 -8.747 -18.385 0.149 522 HE ARG 73 HE ARG 73 -9.002 -19.815 -2.176 523 HH11 ARG 73 2HH1 ARG 73 -7.707 -20.418 0.999 524 HH12 ARG 73 1HH1 ARG 73 -8.064 -22.113 0.964 525 HH21 ARG 73 2HH2 ARG 73 -9.478 -22.044 -2.232 526 HH22 ARG 73 1HH2 ARG 73 -9.071 -23.038 -0.874 527 H TYR 74 H TYR 74 -6.506 -13.666 -1.212 528 HA TYR 74 HA TYR 74 -5.016 -12.980 1.234 529 HB2 TYR 74 1HB TYR 74 -5.110 -11.461 -1.377 530 HB3 TYR 74 2HB TYR 74 -4.473 -10.792 0.121 531 HD1 TYR 74 1HD TYR 74 -2.634 -12.322 1.288 532 HD2 TYR 74 2HD TYR 74 -3.620 -12.427 -2.849 533 HE1 TYR 74 1HE TYR 74 -0.433 -13.304 0.796 534 HE2 TYR 74 2HE TYR 74 -1.422 -13.410 -3.354 535 HH TYR 74 HH TYR 74 0.719 -14.508 -0.849 536 H THR 75 H THR 75 -5.763 -11.060 2.341 537 HA THR 75 HA THR 75 -8.297 -9.902 1.615 538 HB THR 75 HB THR 75 -8.845 -12.129 2.756 539 HG1 THR 75 1HG THR 75 -9.860 -9.785 4.018 540 HG21 THR 75 3HG2 THR 75 -7.146 -11.970 4.528 541 HG22 THR 75 1HG2 THR 75 -8.770 -12.137 5.194 542 HG23 THR 75 2HG2 THR 75 -7.976 -10.562 5.189 543 H VAL 76 H VAL 76 -8.998 -8.248 3.193 544 HA VAL 76 HA VAL 76 -6.772 -7.252 4.842 545 HB VAL 76 HB VAL 76 -7.396 -4.940 4.200 546 HG11 VAL 76 1HG1 VAL 76 -6.812 -6.206 1.598 547 HG12 VAL 76 2HG1 VAL 76 -5.945 -4.937 2.465 548 HG13 VAL 76 3HG1 VAL 76 -5.736 -6.626 2.930 549 HG21 VAL 76 3HG2 VAL 76 -9.586 -4.981 3.463 550 HG22 VAL 76 1HG2 VAL 76 -8.697 -4.855 1.946 551 HG23 VAL 76 2HG2 VAL 76 -9.335 -6.414 2.467 552 H GLY 77 H GLY 77 -7.540 -7.626 6.849 553 HA2 GLY 77 1HA GLY 77 -8.970 -7.625 8.658 554 HA3 GLY 77 2HA GLY 77 -9.314 -5.989 8.119 555 H GLY 78 H GLY 78 -10.093 -8.694 6.080 556 HA2 GLY 78 1HA GLY 78 -12.921 -8.489 6.884 557 HA3 GLY 78 2HA GLY 78 -12.469 -8.327 5.193 558 H LEU 79 H LEU 79 -14.269 -10.230 5.845 559 HA LEU 79 HA LEU 79 -12.939 -12.765 6.260 560 HB2 LEU 79 1HB LEU 79 -15.806 -12.089 5.621 561 HB3 LEU 79 2HB LEU 79 -15.209 -13.712 5.963 562 HG LEU 79 HG LEU 79 -14.980 -11.463 7.947 563 HD11 LEU 79 1HD1 LEU 79 -17.050 -13.378 8.541 564 HD12 LEU 79 2HD1 LEU 79 -17.378 -12.538 7.026 565 HD13 LEU 79 3HD1 LEU 79 -17.123 -11.616 8.507 566 HD21 LEU 79 3HD2 LEU 79 -14.942 -14.464 8.238 567 HD22 LEU 79 1HD2 LEU 79 -14.771 -13.291 9.543 568 HD23 LEU 79 2HD2 LEU 79 -13.534 -13.403 8.291 569 H GLU 80 H GLU 80 -13.967 -10.812 3.609 570 HA GLU 80 HA GLU 80 -14.272 -12.783 1.628 571 HB2 GLU 80 1HB GLU 80 -13.602 -9.859 1.571 572 HB3 GLU 80 2HB GLU 80 -13.549 -10.805 0.090 573 HG2 GLU 80 1HG GLU 80 -15.686 -10.068 -0.029 574 HG3 GLU 80 2HG GLU 80 -15.954 -11.542 0.900 575 H THR 81 H THR 81 -12.741 -12.857 -0.334 576 HA THR 81 HA THR 81 -9.922 -12.694 0.361 577 HB THR 81 HB THR 81 -9.436 -15.015 -0.206 578 HG1 THR 81 1HG THR 81 -10.929 -15.939 -1.399 579 HG21 THR 81 3HG2 THR 81 -10.011 -14.344 2.155 580 HG22 THR 81 1HG2 THR 81 -10.222 -16.055 1.787 581 HG23 THR 81 2HG2 THR 81 -11.626 -14.991 1.865 582 H PHE 82 H PHE 82 -8.538 -13.367 -1.544 583 HA PHE 82 HA PHE 82 -9.880 -13.071 -4.122 584 HB2 PHE 82 1HB PHE 82 -7.572 -11.308 -3.277 585 HB3 PHE 82 2HB PHE 82 -8.366 -11.300 -4.848 586 HD1 PHE 82 2HD PHE 82 -8.951 -10.682 -1.239 587 HD2 PHE 82 1HD PHE 82 -10.230 -9.956 -5.233 588 HE1 PHE 82 2HE PHE 82 -10.545 -8.998 -0.418 589 HE2 PHE 82 1HE PHE 82 -11.826 -8.270 -4.419 590 HZ PHE 82 HZ PHE 82 -11.986 -7.790 -2.009 591 H ASP 83 H ASP 83 -8.792 -13.992 -5.842 592 HA ASP 83 HA ASP 83 -7.303 -16.225 -5.513 593 HB2 ASP 83 1HB ASP 83 -8.217 -15.599 -7.676 594 HB3 ASP 83 2HB ASP 83 -7.090 -14.250 -7.794 595 H SER 84 H SER 84 -5.926 -13.004 -6.166 596 HA SER 84 HA SER 84 -3.656 -13.563 -4.490 597 HB2 SER 84 1HB SER 84 -3.414 -13.555 -7.480 598 HB3 SER 84 2HB SER 84 -2.078 -12.968 -6.490 599 HG SER 84 HG SER 84 -2.743 -15.483 -7.040 600 H LEU 85 H LEU 85 -1.971 -11.656 -4.876 601 HA LEU 85 HA LEU 85 -3.085 -9.325 -3.984 602 HB2 LEU 85 1HB LEU 85 -0.548 -9.999 -5.361 603 HB3 LEU 85 2HB LEU 85 -0.973 -8.294 -5.241 604 HG LEU 85 HG LEU 85 0.504 -8.865 -3.437 605 HD11 LEU 85 1HD1 LEU 85 -2.126 -8.795 -2.045 606 HD12 LEU 85 2HD1 LEU 85 -1.691 -7.459 -3.110 607 HD13 LEU 85 3HD1 LEU 85 -0.658 -7.865 -1.739 608 HD21 LEU 85 3HD2 LEU 85 -1.289 -10.705 -2.047 609 HD22 LEU 85 1HD2 LEU 85 0.458 -10.780 -2.284 610 HD23 LEU 85 2HD2 LEU 85 -0.628 -11.355 -3.548 611 H THR 86 H THR 86 -2.719 -10.396 -7.302 612 HA THR 86 HA THR 86 -3.308 -7.949 -8.575 613 HB THR 86 HB THR 86 -3.848 -10.744 -9.600 614 HG1 THR 86 1HG THR 86 -1.732 -10.044 -10.732 615 HG21 THR 86 3HG2 THR 86 -4.638 -9.766 -11.436 616 HG22 THR 86 1HG2 THR 86 -3.114 -8.903 -11.636 617 HG23 THR 86 2HG2 THR 86 -4.420 -8.181 -10.696 618 H ASP 87 H ASP 87 -5.412 -10.768 -7.968 619 HA ASP 87 HA ASP 87 -7.786 -9.588 -8.865 620 HB2 ASP 87 1HB ASP 87 -7.380 -12.041 -8.381 621 HB3 ASP 87 2HB ASP 87 -7.596 -11.659 -6.676 622 H LEU 88 H LEU 88 -6.226 -9.550 -5.709 623 HA LEU 88 HA LEU 88 -8.383 -8.342 -4.311 624 HB2 LEU 88 1HB LEU 88 -6.512 -9.599 -3.259 625 HB3 LEU 88 2HB LEU 88 -5.445 -8.251 -3.645 626 HG LEU 88 HG LEU 88 -7.877 -7.708 -2.013 627 HD11 LEU 88 1HD1 LEU 88 -7.162 -8.693 -0.116 628 HD12 LEU 88 2HD1 LEU 88 -5.458 -8.483 -0.517 629 HD13 LEU 88 3HD1 LEU 88 -6.378 -9.801 -1.242 630 HD21 LEU 88 3HD2 LEU 88 -6.227 -5.975 -2.859 631 HD22 LEU 88 1HD2 LEU 88 -5.071 -6.670 -1.721 632 HD23 LEU 88 2HD2 LEU 88 -6.573 -5.958 -1.128 633 H VAL 89 H VAL 89 -5.220 -6.936 -5.186 634 HA VAL 89 HA VAL 89 -5.796 -4.296 -4.658 635 HB VAL 89 HB VAL 89 -4.038 -5.382 -6.863 636 HG11 VAL 89 1HG1 VAL 89 -2.984 -3.247 -6.963 637 HG12 VAL 89 2HG1 VAL 89 -4.721 -2.984 -7.131 638 HG13 VAL 89 3HG1 VAL 89 -3.923 -2.653 -5.593 639 HG21 VAL 89 3HG2 VAL 89 -3.632 -5.994 -4.383 640 HG22 VAL 89 1HG2 VAL 89 -2.279 -5.398 -5.346 641 HG23 VAL 89 2HG2 VAL 89 -3.105 -4.318 -4.222 642 H GLU 90 H GLU 90 -6.051 -5.895 -7.840 643 HA GLU 90 HA GLU 90 -7.032 -3.853 -9.354 644 HB2 GLU 90 1HB GLU 90 -7.588 -6.798 -9.379 645 HB3 GLU 90 2HB GLU 90 -8.433 -5.738 -10.498 646 HG2 GLU 90 1HG GLU 90 -6.120 -4.893 -11.168 647 HG3 GLU 90 2HG GLU 90 -5.499 -6.309 -10.320 648 H HIS 91 H HIS 91 -9.057 -6.156 -7.530 649 HA HIS 91 HA HIS 91 -11.511 -4.931 -8.031 650 HB2 HIS 91 1HB HIS 91 -11.467 -7.140 -7.106 651 HB3 HIS 91 2HB HIS 91 -10.574 -6.594 -5.689 652 HD1 HIS 91 1HD HIS 91 -13.967 -7.101 -6.964 653 HD2 HIS 91 2HD HIS 91 -12.164 -4.972 -3.886 654 HE1 HIS 91 1HE HIS 91 -15.829 -6.490 -5.389 655 HE2 HIS 91 2HE HIS 91 -14.727 -5.129 -3.579 656 H PHE 92 H PHE 92 -8.926 -3.949 -6.007 657 HA PHE 92 HA PHE 92 -10.615 -2.163 -4.432 658 HB2 PHE 92 1HB PHE 92 -7.833 -3.183 -4.219 659 HB3 PHE 92 2HB PHE 92 -8.137 -1.571 -3.581 660 HD1 PHE 92 2HD PHE 92 -10.803 -1.797 -2.456 661 HD2 PHE 92 1HD PHE 92 -7.583 -4.580 -2.404 662 HE1 PHE 92 2HE PHE 92 -11.695 -2.785 -0.387 663 HE2 PHE 92 1HE PHE 92 -8.470 -5.574 -0.335 664 HZ PHE 92 HZ PHE 92 -10.528 -4.675 0.677 665 H LYS 93 H LYS 93 -8.556 -2.136 -7.183 666 HA LYS 93 HA LYS 93 -7.833 0.610 -7.151 667 HB2 LYS 93 1HB LYS 93 -8.039 -1.310 -9.478 668 HB3 LYS 93 2HB LYS 93 -7.246 0.260 -9.523 669 HG2 LYS 93 1HG LYS 93 -5.884 -0.759 -7.507 670 HG3 LYS 93 2HG LYS 93 -6.366 -2.280 -8.263 671 HD2 LYS 93 1HD LYS 93 -5.119 -0.054 -9.848 672 HD3 LYS 93 2HD LYS 93 -4.137 -1.240 -8.985 673 HE2 LYS 93 1HE LYS 93 -5.135 -3.041 -10.243 674 HE3 LYS 93 2HE LYS 93 -6.251 -1.923 -11.025 675 HZ1 LYS 93 3HZ LYS 93 -3.496 -1.183 -11.344 676 HZ2 LYS 93 1HZ LYS 93 -4.715 -1.331 -12.506 677 HZ3 LYS 93 2HZ LYS 93 -3.849 -2.697 -12.011 678 H LYS 94 H LYS 94 -10.743 -1.015 -7.850 679 HA LYS 94 HA LYS 94 -11.792 1.296 -9.334 680 HB2 LYS 94 1HB LYS 94 -13.715 -0.250 -9.854 681 HB3 LYS 94 2HB LYS 94 -12.167 -0.721 -10.544 682 HG2 LYS 94 1HG LYS 94 -11.872 -2.308 -8.659 683 HG3 LYS 94 2HG LYS 94 -13.502 -1.901 -8.119 684 HD2 LYS 94 1HD LYS 94 -13.920 -3.777 -9.379 685 HD3 LYS 94 2HD LYS 94 -14.137 -2.511 -10.590 686 HE2 LYS 94 1HE LYS 94 -12.002 -2.912 -11.526 687 HE3 LYS 94 2HE LYS 94 -11.508 -3.906 -10.157 688 HZ1 LYS 94 3HZ LYS 94 -13.854 -4.801 -11.630 689 HZ2 LYS 94 1HZ LYS 94 -12.590 -5.701 -10.954 690 HZ3 LYS 94 2HZ LYS 94 -12.373 -4.923 -12.439 691 H THR 95 H THR 95 -12.350 -0.766 -6.529 692 HA THR 95 HA THR 95 -14.606 0.878 -5.682 693 HB THR 95 HB THR 95 -14.938 -0.737 -3.908 694 HG1 THR 95 1HG THR 95 -12.604 -2.065 -4.864 695 HG21 THR 95 3HG2 THR 95 -14.530 -2.837 -5.750 696 HG22 THR 95 1HG2 THR 95 -14.925 -1.401 -6.693 697 HG23 THR 95 2HG2 THR 95 -16.021 -1.954 -5.427 698 H GLY 96 H GLY 96 -11.580 -0.307 -4.192 699 HA2 GLY 96 1HA GLY 96 -10.012 1.190 -3.159 700 HA3 GLY 96 2HA GLY 96 -11.340 2.299 -2.845 701 H ILE 97 H ILE 97 -9.590 1.649 -0.840 702 HA ILE 97 HA ILE 97 -11.049 -0.284 0.824 703 HB ILE 97 HB ILE 97 -8.265 0.837 1.151 704 HG12 ILE 97 1HG1 ILE 97 -8.888 -2.064 0.817 705 HG13 ILE 97 2HG1 ILE 97 -8.938 -1.030 -0.606 706 HG21 ILE 97 1HG2 ILE 97 -9.298 0.481 3.320 707 HG22 ILE 97 2HG2 ILE 97 -9.756 -1.155 2.852 708 HG23 ILE 97 3HG2 ILE 97 -8.054 -0.734 3.027 709 HD11 ILE 97 3HD1 ILE 97 -6.637 -1.886 1.043 710 HD12 ILE 97 1HD1 ILE 97 -6.777 -1.695 -0.705 711 HD13 ILE 97 2HD1 ILE 97 -6.579 -0.276 0.325 712 H GLU 98 H GLU 98 -12.146 0.364 2.573 713 HA GLU 98 HA GLU 98 -12.097 3.219 3.229 714 HB2 GLU 98 1HB GLU 98 -14.290 2.374 2.720 715 HB3 GLU 98 2HB GLU 98 -14.092 1.040 3.847 716 HG2 GLU 98 1HG GLU 98 -15.491 2.573 4.928 717 HG3 GLU 98 2HG GLU 98 -13.906 2.781 5.670 718 H GLU 99 H GLU 99 -11.276 3.959 5.081 719 HA GLU 99 HA GLU 99 -10.219 2.023 6.993 720 HB2 GLU 99 1HB GLU 99 -9.802 5.014 6.942 721 HB3 GLU 99 2HB GLU 99 -8.878 3.827 7.853 722 HG2 GLU 99 1HG GLU 99 -7.836 2.993 5.927 723 HG3 GLU 99 2HG GLU 99 -8.995 3.781 4.859 724 H ALA 100 H ALA 100 -11.085 1.673 8.934 725 HA ALA 100 HA ALA 100 -13.550 2.234 9.771 726 HB1 ALA 100 1HB ALA 100 -11.143 1.426 11.066 727 HB2 ALA 100 2HB ALA 100 -12.011 2.543 12.119 728 HB3 ALA 100 3HB ALA 100 -12.814 1.091 11.522 729 H SER 101 H SER 101 -10.779 4.362 10.463 730 HA SER 101 HA SER 101 -11.967 6.328 11.929 731 HB2 SER 101 1HB SER 101 -9.850 6.499 9.791 732 HB3 SER 101 2HB SER 101 -10.362 7.922 10.699 733 HG SER 101 HG SER 101 -9.893 6.545 12.617 734 H GLY 102 H GLY 102 -11.455 6.845 8.444 735 HA2 GLY 102 1HA GLY 102 -14.020 7.212 7.573 736 HA3 GLY 102 2HA GLY 102 -13.609 8.741 8.336 737 H ALA 103 H ALA 103 -11.274 6.734 6.666 738 HA ALA 103 HA ALA 103 -11.104 8.799 4.568 739 HB1 ALA 103 1HB ALA 103 -8.674 7.792 4.411 740 HB2 ALA 103 2HB ALA 103 -9.077 9.031 5.601 741 HB3 ALA 103 3HB ALA 103 -9.003 7.336 6.083 742 H PHE 104 H PHE 104 -10.637 8.130 2.436 743 HA PHE 104 HA PHE 104 -11.123 5.271 1.917 744 HB2 PHE 104 1HB PHE 104 -12.392 7.694 0.760 745 HB3 PHE 104 2HB PHE 104 -12.051 6.368 -0.348 746 HD1 PHE 104 2HD PHE 104 -13.081 4.151 0.031 747 HD2 PHE 104 1HD PHE 104 -14.147 7.561 2.342 748 HE1 PHE 104 2HE PHE 104 -15.132 3.006 0.769 749 HE2 PHE 104 1HE PHE 104 -16.197 6.423 3.084 750 HZ PHE 104 HZ PHE 104 -16.693 4.143 2.297 751 H VAL 105 H VAL 105 -9.303 4.398 1.188 752 HA VAL 105 HA VAL 105 -7.331 5.986 -0.216 753 HB VAL 105 HB VAL 105 -7.322 3.047 0.489 754 HG11 VAL 105 1HG1 VAL 105 -4.751 4.324 0.051 755 HG12 VAL 105 2HG1 VAL 105 -5.391 2.814 -0.602 756 HG13 VAL 105 3HG1 VAL 105 -5.768 4.348 -1.389 757 HG21 VAL 105 3HG2 VAL 105 -6.032 5.426 1.824 758 HG22 VAL 105 1HG2 VAL 105 -7.328 4.420 2.473 759 HG23 VAL 105 2HG2 VAL 105 -5.717 3.741 2.241 760 H TYR 106 H TYR 106 -6.925 5.978 -2.351 761 HA TYR 106 HA TYR 106 -8.492 4.127 -4.027 762 HB2 TYR 106 1HB TYR 106 -7.646 6.958 -4.679 763 HB3 TYR 106 2HB TYR 106 -8.552 5.886 -5.741 764 HD1 TYR 106 1HD TYR 106 -10.490 4.705 -3.845 765 HD2 TYR 106 2HD TYR 106 -9.119 8.714 -4.242 766 HE1 TYR 106 1HE TYR 106 -12.596 5.516 -2.870 767 HE2 TYR 106 2HE TYR 106 -11.221 9.535 -3.266 768 HH TYR 106 HH TYR 106 -13.337 7.643 -1.595 769 H LEU 107 H LEU 107 -7.506 3.233 -5.837 770 HA LEU 107 HA LEU 107 -4.596 3.638 -6.044 771 HB2 LEU 107 1HB LEU 107 -5.946 1.008 -6.565 772 HB3 LEU 107 2HB LEU 107 -4.229 1.333 -6.331 773 HG LEU 107 HG LEU 107 -5.077 2.062 -3.925 774 HD11 LEU 107 1HD1 LEU 107 -7.277 0.440 -5.073 775 HD12 LEU 107 2HD1 LEU 107 -7.328 1.743 -3.888 776 HD13 LEU 107 3HD1 LEU 107 -6.811 0.128 -3.401 777 HD21 LEU 107 3HD2 LEU 107 -3.875 -0.229 -5.077 778 HD22 LEU 107 1HD2 LEU 107 -5.008 -0.779 -3.842 779 HD23 LEU 107 2HD2 LEU 107 -3.737 0.370 -3.422 780 H ARG 108 H ARG 108 -4.645 4.957 -7.824 781 HA ARG 108 HA ARG 108 -6.161 4.164 -10.173 782 HB2 ARG 108 1HB ARG 108 -4.294 6.515 -9.816 783 HB3 ARG 108 2HB ARG 108 -5.445 6.277 -11.125 784 HG2 ARG 108 1HG ARG 108 -7.172 6.184 -9.140 785 HG3 ARG 108 2HG ARG 108 -5.913 7.101 -8.310 786 HD2 ARG 108 1HD ARG 108 -7.317 7.824 -10.876 787 HD3 ARG 108 2HD ARG 108 -7.435 8.649 -9.322 788 HE ARG 108 HE ARG 108 -4.761 8.687 -10.058 789 HH11 ARG 108 2HH1 ARG 108 -7.790 9.921 -11.252 790 HH12 ARG 108 1HH1 ARG 108 -7.077 11.306 -12.009 791 HH21 ARG 108 2HH2 ARG 108 -3.810 10.507 -11.050 792 HH22 ARG 108 1HH2 ARG 108 -4.812 11.638 -11.894 793 H GLN 109 H GLN 109 -2.768 4.640 -9.244 794 HA GLN 109 HA GLN 109 -1.984 2.714 -11.290 795 HB2 GLN 109 1HB GLN 109 -0.225 4.140 -12.174 796 HB3 GLN 109 2HB GLN 109 -1.789 4.924 -12.365 797 HG2 GLN 109 1HG GLN 109 -0.130 5.536 -9.967 798 HG3 GLN 109 2HG GLN 109 0.279 6.266 -11.519 799 HE21 GLN 109 1HE2 GLN 109 -0.513 7.713 -9.256 800 HE22 GLN 109 2HE2 GLN 109 -2.025 8.476 -9.602 801 HA PRO 110 HA PRO 110 0.635 1.306 -8.043 802 HB2 PRO 110 1HB PRO 110 2.382 -0.158 -9.519 803 HB3 PRO 110 2HB PRO 110 0.728 -0.684 -9.188 804 HG2 PRO 110 1HG PRO 110 1.846 0.626 -11.637 805 HG3 PRO 110 2HG PRO 110 0.712 -0.731 -11.513 806 HD2 PRO 110 1HD PRO 110 -0.097 1.797 -12.045 807 HD3 PRO 110 2HD PRO 110 -1.095 0.648 -11.133 808 H TYR 111 H TYR 111 3.287 0.816 -8.085 809 HA TYR 111 HA TYR 111 4.588 3.292 -8.977 810 HB2 TYR 111 1HB TYR 111 4.022 3.655 -6.642 811 HB3 TYR 111 2HB TYR 111 4.755 2.119 -6.194 812 HD1 TYR 111 1HD TYR 111 5.503 5.499 -7.520 813 HD2 TYR 111 2HD TYR 111 7.064 1.967 -5.733 814 HE1 TYR 111 1HE TYR 111 7.652 6.639 -7.158 815 HE2 TYR 111 2HE TYR 111 9.217 3.098 -5.366 816 HH TYR 111 HH TYR 111 10.048 5.443 -5.126 817 H TYR 112 H TYR 112 6.026 2.558 -10.407 818 HA TYR 112 HA TYR 112 7.373 0.020 -10.003 819 HB2 TYR 112 1HB TYR 112 7.912 1.963 -12.239 820 HB3 TYR 112 2HB TYR 112 8.131 0.217 -12.230 821 HD1 TYR 112 1HD TYR 112 5.747 -1.008 -11.536 822 HD2 TYR 112 2HD TYR 112 6.214 2.675 -13.612 823 HE1 TYR 112 1HE TYR 112 3.519 -1.297 -12.537 824 HE2 TYR 112 2HE TYR 112 3.986 2.398 -14.619 825 HH TYR 112 HH TYR 112 1.805 1.102 -13.933 826 H SER 113 H SER 113 9.739 -0.130 -10.268 827 HA SER 113 HA SER 113 11.054 2.058 -8.815 828 HB2 SER 113 1HB SER 113 12.724 0.415 -8.139 829 HB3 SER 113 2HB SER 113 11.111 -0.188 -7.760 830 HG SER 113 HG SER 113 12.172 -0.852 -10.248 831 H GLY 114 H GLY 114 11.781 3.455 -10.337 832 HA2 GLY 114 1HA GLY 114 13.695 4.054 -11.646 833 HA3 GLY 114 2HA GLY 114 13.776 2.395 -12.221 834 HA PRO 115 HA PRO 115 10.349 4.917 -14.612 835 HB2 PRO 115 1HB PRO 115 11.075 7.506 -14.993 836 HB3 PRO 115 2HB PRO 115 10.078 6.977 -13.632 837 HG2 PRO 115 1HG PRO 115 13.015 7.550 -13.718 838 HG3 PRO 115 2HG PRO 115 11.823 7.997 -12.483 839 HD2 PRO 115 1HD PRO 115 13.507 5.897 -12.190 840 HD3 PRO 115 2HD PRO 115 11.869 5.912 -11.503 841 H SER 116 H SER 116 13.697 4.694 -14.810 842 HA SER 116 HA SER 116 13.717 5.314 -17.685 843 HB2 SER 116 1HB SER 116 15.430 6.550 -16.614 844 HB3 SER 116 2HB SER 116 15.918 5.172 -15.628 845 HG SER 116 HG SER 116 16.931 4.291 -17.324 846 H SER 117 H SER 117 15.135 2.954 -15.416 847 HA SER 117 HA SER 117 15.552 1.038 -17.528 848 HB2 SER 117 1HB SER 117 17.068 1.302 -15.525 849 HB3 SER 117 2HB SER 117 15.792 0.577 -14.548 850 HG SER 117 HG SER 117 16.574 -0.779 -16.855 851 H GLY 118 H GLY 118 13.572 0.455 -18.360 852 HA2 GLY 118 1HA GLY 118 11.270 -0.145 -16.874 853 HA3 GLY 118 2HA GLY 118 11.597 -0.704 -18.507 854 H1 MET 1 H MET 1 14.077 12.715 17.178 855 HA MET 1 HA MET 1 15.245 10.481 15.844 856 HB2 MET 1 1HB MET 1 16.424 10.535 18.102 857 HB3 MET 1 2HB MET 1 14.868 10.134 18.816 858 HG2 MET 1 1HG MET 1 16.043 8.109 18.595 859 HG3 MET 1 2HG MET 1 14.824 8.115 17.323 860 HE1 MET 1 3HE MET 1 19.134 8.649 17.486 861 HE2 MET 1 1HE MET 1 18.056 7.679 18.489 862 HE3 MET 1 2HE MET 1 18.865 6.948 17.104 863 H ASP 2 H ASP 2 13.668 9.192 15.107 864 HA ASP 2 HA ASP 2 11.046 9.295 16.443 865 HB2 ASP 2 1HB ASP 2 11.326 10.619 14.209 866 HB3 ASP 2 2HB ASP 2 11.259 9.026 13.463 867 H ASN 3 H ASN 3 10.683 7.341 17.255 868 HA ASN 3 HA ASN 3 11.965 4.985 16.631 869 HB2 ASN 3 1HB ASN 3 9.987 3.843 17.677 870 HB3 ASN 3 2HB ASN 3 10.664 5.149 18.645 871 HD21 ASN 3 1HD2 ASN 3 9.356 6.712 19.311 872 HD22 ASN 3 2HD2 ASN 3 7.732 6.954 18.774 873 H GLN 4 H GLN 4 11.734 3.394 15.153 874 HA GLN 4 HA GLN 4 10.451 3.924 12.712 875 HB2 GLN 4 1HB GLN 4 11.066 1.660 12.083 876 HB3 GLN 4 2HB GLN 4 12.395 2.426 12.941 877 HG2 GLN 4 1HG GLN 4 11.933 1.188 14.920 878 HG3 GLN 4 2HG GLN 4 10.424 0.572 14.248 879 HE21 GLN 4 1HE2 GLN 4 13.923 0.500 13.916 880 HE22 GLN 4 2HE2 GLN 4 14.007 -1.055 13.169 881 H GLY 5 H GLY 5 8.941 2.153 11.716 882 HA2 GLY 5 1HA GLY 5 7.045 0.750 11.980 883 HA3 GLY 5 2HA GLY 5 6.899 1.304 13.641 884 H VAL 6 H VAL 6 5.523 1.469 10.658 885 HA VAL 6 HA VAL 6 4.485 4.190 11.026 886 HB VAL 6 HB VAL 6 3.585 3.971 8.745 887 HG11 VAL 6 1HG1 VAL 6 5.845 4.875 9.130 888 HG12 VAL 6 2HG1 VAL 6 6.513 3.259 8.899 889 HG13 VAL 6 3HG1 VAL 6 5.696 4.075 7.566 890 HG21 VAL 6 3HG2 VAL 6 4.308 2.033 7.364 891 HG22 VAL 6 1HG2 VAL 6 4.893 1.255 8.835 892 HG23 VAL 6 2HG2 VAL 6 3.174 1.603 8.644 893 H ILE 7 H ILE 7 2.372 4.603 11.433 894 HA ILE 7 HA ILE 7 0.778 2.596 12.608 895 HB ILE 7 HB ILE 7 -0.170 5.275 11.588 896 HG12 ILE 7 1HG1 ILE 7 1.840 5.412 13.086 897 HG13 ILE 7 2HG1 ILE 7 0.404 6.202 13.730 898 HG21 ILE 7 1HG2 ILE 7 -1.659 3.225 12.549 899 HG22 ILE 7 2HG2 ILE 7 -1.299 4.105 14.033 900 HG23 ILE 7 3HG2 ILE 7 -2.097 4.928 12.694 901 HD11 ILE 7 3HD1 ILE 7 0.279 4.816 15.482 902 HD12 ILE 7 1HD1 ILE 7 0.735 3.402 14.531 903 HD13 ILE 7 2HD1 ILE 7 1.977 4.507 15.121 904 H PTR 8 H PTR 8 -0.963 1.451 11.876 905 HA PTR 8 HA PTR 8 -1.400 1.500 8.968 906 HB2 PTR 8 2HB PTR 8 -1.611 -0.688 11.020 907 HB3 PTR 8 3HB PTR 8 -2.422 -0.824 9.464 908 HD1 PTR 8 1HD PTR 8 0.962 0.095 10.773 909 HD2 PTR 8 2HD PTR 8 -1.296 -1.969 7.815 910 HE1 PTR 8 1HE PTR 8 3.048 -0.731 9.765 911 HE2 PTR 8 2HE PTR 8 0.783 -2.800 6.800 912 H SER 9 H SER 9 -3.214 2.417 8.308 913 HA SER 9 HA SER 9 -5.322 3.112 10.093 914 HB2 SER 9 1HB SER 9 -4.913 3.345 7.124 915 HB3 SER 9 2HB SER 9 -6.486 3.703 7.838 916 HG SER 9 HG SER 9 -4.008 4.979 8.308 917 H ASP 10 H ASP 10 -6.531 1.532 10.945 918 HA ASP 10 HA ASP 10 -7.074 -0.962 9.875 919 HB2 ASP 10 1HB ASP 10 -8.308 0.732 11.978 920 HB3 ASP 10 2HB ASP 10 -9.273 -0.613 11.377 921 H LEU 11 H LEU 11 -9.599 -1.589 9.612 922 HA LEU 11 HA LEU 11 -10.595 0.110 7.418 923 HB2 LEU 11 1HB LEU 11 -10.571 -2.870 7.763 924 HB3 LEU 11 2HB LEU 11 -11.694 -2.081 6.657 925 HG LEU 11 HG LEU 11 -10.037 -1.510 5.167 926 HD11 LEU 11 1HD1 LEU 11 -8.164 -1.622 7.509 927 HD12 LEU 11 2HD1 LEU 11 -8.566 -0.247 6.482 928 HD13 LEU 11 3HD1 LEU 11 -7.582 -1.565 5.846 929 HD21 LEU 11 3HD2 LEU 11 -9.075 -4.033 6.508 930 HD22 LEU 11 1HD2 LEU 11 -8.516 -3.463 4.935 931 HD23 LEU 11 2HD2 LEU 11 -10.210 -3.904 5.163 932 H ASN 12 H ASN 12 -13.054 -0.832 6.997 933 HA ASN 12 HA ASN 12 -14.500 0.124 9.292 934 HB2 ASN 12 1HB ASN 12 -16.352 0.275 7.896 935 HB3 ASN 12 2HB ASN 12 -15.023 0.484 6.759 936 HD21 ASN 12 1HD2 ASN 12 -14.411 -1.302 5.448 937 HD22 ASN 12 2HD2 ASN 12 -15.551 -2.546 5.075 938 H LEU 13 H LEU 13 -14.556 -2.906 7.412 939 HA LEU 13 HA LEU 13 -16.330 -4.396 8.818 940 HB2 LEU 13 1HB LEU 13 -13.784 -5.774 8.217 941 HB3 LEU 13 2HB LEU 13 -15.441 -6.227 7.817 942 HG LEU 13 HG LEU 13 -15.193 -4.165 6.156 943 HD11 LEU 13 1HD1 LEU 13 -13.001 -3.954 5.246 944 HD12 LEU 13 2HD1 LEU 13 -12.382 -5.235 6.287 945 HD13 LEU 13 3HD1 LEU 13 -12.883 -3.697 6.987 946 HD21 LEU 13 3HD2 LEU 13 -15.705 -6.573 5.659 947 HD22 LEU 13 1HD2 LEU 13 -13.968 -6.840 5.513 948 HD23 LEU 13 2HD2 LEU 13 -14.784 -5.730 4.412 949 HA PRO 14 HA PRO 14 -12.930 -5.582 12.068 950 HB2 PRO 14 1HB PRO 14 -10.751 -3.968 12.176 951 HB3 PRO 14 2HB PRO 14 -10.830 -5.408 11.154 952 HG2 PRO 14 1HG PRO 14 -11.247 -2.537 10.416 953 HG3 PRO 14 2HG PRO 14 -10.351 -3.797 9.547 954 HD2 PRO 14 1HD PRO 14 -12.857 -3.047 8.849 955 HD3 PRO 14 2HD PRO 14 -12.264 -4.707 8.639 956 HA PRO 15 HA PRO 15 -14.434 -2.662 15.004 957 HB2 PRO 15 1HB PRO 15 -12.998 -3.395 17.188 958 HB3 PRO 15 2HB PRO 15 -14.330 -4.363 16.545 959 HG2 PRO 15 1HG PRO 15 -11.381 -4.708 16.161 960 HG3 PRO 15 2HG PRO 15 -12.619 -5.936 16.482 961 HD2 PRO 15 1HD PRO 15 -11.630 -5.479 14.004 962 HD3 PRO 15 2HD PRO 15 -13.302 -6.004 14.282 Start of MODEL 15 1 H1 GLY 1 H GLY 1 9.724 -5.301 -25.737 2 HA2 GLY 1 1HA GLY 1 9.012 -6.006 -28.379 3 HA3 GLY 1 2HA GLY 1 10.726 -5.628 -28.320 4 H SER 2 H SER 2 11.292 -6.617 -25.743 5 HA SER 2 HA SER 2 10.636 -9.472 -25.954 6 HB2 SER 2 1HB SER 2 13.329 -8.199 -26.042 7 HB3 SER 2 2HB SER 2 13.170 -9.706 -25.140 8 HG SER 2 HG SER 2 13.507 -9.508 -27.684 9 H SER 3 H SER 3 12.060 -6.905 -23.966 10 HA SER 3 HA SER 3 11.874 -8.379 -21.528 11 HB2 SER 3 1HB SER 3 13.483 -6.499 -21.924 12 HB3 SER 3 2HB SER 3 12.120 -5.381 -21.873 13 HG SER 3 HG SER 3 12.414 -7.165 -19.749 14 H GLY 4 H GLY 4 9.703 -9.101 -21.481 15 HA2 GLY 4 1HA GLY 4 7.616 -7.062 -21.268 16 HA3 GLY 4 2HA GLY 4 7.363 -8.798 -21.382 17 H SER 5 H SER 5 9.376 -6.898 -19.153 18 HA SER 5 HA SER 5 8.151 -8.326 -16.922 19 HB2 SER 5 1HB SER 5 10.654 -6.705 -17.260 20 HB3 SER 5 2HB SER 5 10.004 -6.992 -15.647 21 HG SER 5 HG SER 5 11.548 -8.583 -16.359 22 H SER 6 H SER 6 6.845 -7.415 -15.444 23 HA SER 6 HA SER 6 6.718 -4.599 -14.982 24 HB2 SER 6 1HB SER 6 4.391 -4.267 -15.746 25 HB3 SER 6 2HB SER 6 5.468 -4.661 -17.086 26 HG SER 6 HG SER 6 4.416 -6.461 -17.399 27 H GLY 7 H GLY 7 4.600 -4.136 -13.620 28 HA2 GLY 7 1HA GLY 7 2.992 -5.491 -12.177 29 HA3 GLY 7 2HA GLY 7 4.446 -6.323 -11.646 30 H TRP 8 H TRP 8 2.896 -5.206 -9.753 31 HA TRP 8 HA TRP 8 4.308 -2.725 -9.024 32 HB2 TRP 8 1HB TRP 8 2.206 -2.691 -7.351 33 HB3 TRP 8 2HB TRP 8 2.155 -1.983 -8.963 34 HD1 TRP 8 HD TRP 8 -0.002 -2.596 -10.170 35 HE1 TRP 8 1HE TRP 8 -1.572 -4.635 -10.248 36 HE3 TRP 8 3HE TRP 8 2.458 -5.639 -6.882 37 HZ2 TRP 8 2HZ TRP 8 -1.743 -7.194 -9.071 38 HZ3 TRP 8 3HZ TRP 8 1.525 -7.867 -6.412 39 HH2 TRP 8 HH TRP 8 -0.532 -8.626 -7.483 40 H TYR 9 H TYR 9 5.213 -5.489 -8.606 41 HA TYR 9 HA TYR 9 5.067 -5.713 -5.683 42 HB2 TYR 9 1HB TYR 9 4.626 -7.671 -7.381 43 HB3 TYR 9 2HB TYR 9 6.383 -7.768 -7.417 44 HD1 TYR 9 1HD TYR 9 3.429 -7.981 -5.195 45 HD2 TYR 9 2HD TYR 9 7.585 -8.772 -5.643 46 HE1 TYR 9 1HE TYR 9 3.390 -9.322 -3.133 47 HE2 TYR 9 2HE TYR 9 7.557 -10.116 -3.583 48 HH TYR 9 HH TYR 9 4.724 -10.266 -1.525 49 H HIS 10 H HIS 10 6.782 -5.329 -4.419 50 HA HIS 10 HA HIS 10 9.344 -4.734 -5.745 51 HB2 HIS 10 1HB HIS 10 8.189 -3.628 -3.179 52 HB3 HIS 10 2HB HIS 10 9.815 -3.290 -3.764 53 HD1 HIS 10 1HD HIS 10 10.047 -1.305 -5.237 54 HD2 HIS 10 2HD HIS 10 6.125 -2.668 -5.058 55 HE1 HIS 10 1HE HIS 10 8.690 0.380 -6.521 56 HE2 HIS 10 2HE HIS 10 6.309 -0.420 -6.326 57 H GLY 11 H GLY 11 8.097 -5.804 -2.572 58 HA2 GLY 11 1HA GLY 11 8.760 -7.999 -1.736 59 HA3 GLY 11 2HA GLY 11 10.328 -7.737 -2.486 60 H HIS 12 H HIS 12 11.839 -7.465 -0.997 61 HA HIS 12 HA HIS 12 11.397 -6.839 1.683 62 HB2 HIS 12 1HB HIS 12 13.848 -6.704 -0.059 63 HB3 HIS 12 2HB HIS 12 13.906 -6.238 1.638 64 HD1 HIS 12 1HD HIS 12 14.321 -8.075 3.256 65 HD2 HIS 12 2HD HIS 12 12.959 -9.496 -0.402 66 HE1 HIS 12 1HE HIS 12 14.449 -10.581 3.418 67 HE2 HIS 12 2HE HIS 12 13.700 -11.416 1.163 68 H MET 13 H MET 13 10.362 -5.022 2.266 69 HA MET 13 HA MET 13 11.681 -2.489 1.780 70 HB2 MET 13 1HB MET 13 10.144 -2.716 -0.142 71 HB3 MET 13 2HB MET 13 8.796 -2.897 0.973 72 HG2 MET 13 1HG MET 13 9.137 -0.655 1.804 73 HG3 MET 13 2HG MET 13 10.560 -0.468 0.782 74 HE1 MET 13 3HE MET 13 9.159 -0.866 -2.711 75 HE2 MET 13 1HE MET 13 10.030 0.548 -2.119 76 HE3 MET 13 2HE MET 13 10.511 -1.066 -1.595 77 H SER 14 H SER 14 11.866 -1.672 3.753 78 HA SER 14 HA SER 14 10.172 -2.445 5.913 79 HB2 SER 14 1HB SER 14 12.573 -1.849 6.194 80 HB3 SER 14 2HB SER 14 12.172 -0.175 5.808 81 HG SER 14 HG SER 14 10.728 -1.434 7.839 82 H GLY 15 H GLY 15 8.708 -1.180 7.096 83 HA2 GLY 15 1HA GLY 15 6.835 0.272 5.736 84 HA3 GLY 15 2HA GLY 15 7.138 0.468 7.457 85 H GLY 16 H GLY 16 9.369 1.764 7.767 86 HA2 GLY 16 1HA GLY 16 8.839 4.407 7.139 87 HA3 GLY 16 2HA GLY 16 10.424 3.797 7.592 88 H GLN 17 H GLN 17 10.642 2.028 5.290 89 HA GLN 17 HA GLN 17 11.870 3.816 3.487 90 HB2 GLN 17 1HB GLN 17 12.284 1.273 3.918 91 HB3 GLN 17 2HB GLN 17 11.054 1.047 2.681 92 HG2 GLN 17 1HG GLN 17 12.378 1.871 1.011 93 HG3 GLN 17 2HG GLN 17 13.326 2.875 2.108 94 HE21 GLN 17 1HE2 GLN 17 13.261 0.055 0.325 95 HE22 GLN 17 2HE2 GLN 17 14.630 -0.733 1.025 96 H ALA 18 H ALA 18 9.131 1.625 2.831 97 HA ALA 18 HA ALA 18 8.276 2.421 0.433 98 HB1 ALA 18 1HB ALA 18 6.014 2.390 2.273 99 HB2 ALA 18 2HB ALA 18 6.391 1.324 0.920 100 HB3 ALA 18 3HB ALA 18 7.121 1.037 2.499 101 H GLU 19 H GLU 19 7.512 4.177 3.433 102 HA GLU 19 HA GLU 19 5.939 6.192 2.396 103 HB2 GLU 19 1HB GLU 19 7.741 5.955 4.746 104 HB3 GLU 19 2HB GLU 19 7.226 7.573 4.296 105 HG2 GLU 19 1HG GLU 19 4.866 6.751 4.375 106 HG3 GLU 19 2HG GLU 19 5.484 5.244 5.050 107 H THR 20 H THR 20 9.480 6.141 2.703 108 HA THR 20 HA THR 20 9.983 8.681 1.654 109 HB THR 20 HB THR 20 11.737 6.227 1.433 110 HG1 THR 20 1HG THR 20 11.196 8.044 3.497 111 HG21 THR 20 3HG2 THR 20 12.216 9.151 0.982 112 HG22 THR 20 1HG2 THR 20 12.703 7.777 -0.010 113 HG23 THR 20 2HG2 THR 20 13.528 8.101 1.515 114 H LEU 21 H LEU 21 10.072 5.528 -0.012 115 HA LEU 21 HA LEU 21 10.612 6.469 -2.571 116 HB2 LEU 21 1HB LEU 21 8.919 4.093 -1.810 117 HB3 LEU 21 2HB LEU 21 9.669 4.368 -3.380 118 HG LEU 21 HG LEU 21 11.872 4.410 -1.890 119 HD11 LEU 21 1HD1 LEU 21 9.864 3.538 -0.066 120 HD12 LEU 21 2HD1 LEU 21 11.594 3.747 0.204 121 HD13 LEU 21 3HD1 LEU 21 10.973 2.203 -0.379 122 HD21 LEU 21 3HD2 LEU 21 10.360 2.229 -3.210 123 HD22 LEU 21 1HD2 LEU 21 11.744 1.771 -2.217 124 HD23 LEU 21 2HD2 LEU 21 11.959 2.883 -3.569 125 H LEU 22 H LEU 22 7.467 5.885 -1.021 126 HA LEU 22 HA LEU 22 5.910 6.685 -3.245 127 HB2 LEU 22 1HB LEU 22 5.354 6.376 -0.316 128 HB3 LEU 22 2HB LEU 22 4.131 7.017 -1.410 129 HG LEU 22 HG LEU 22 5.430 4.330 -1.808 130 HD11 LEU 22 1HD1 LEU 22 3.778 5.018 0.317 131 HD12 LEU 22 2HD1 LEU 22 4.135 3.394 -0.267 132 HD13 LEU 22 3HD1 LEU 22 2.708 4.248 -0.853 133 HD21 LEU 22 3HD2 LEU 22 3.444 3.923 -3.187 134 HD22 LEU 22 1HD2 LEU 22 4.379 5.298 -3.777 135 HD23 LEU 22 2HD2 LEU 22 2.891 5.568 -2.869 136 H GLN 23 H GLN 23 6.265 8.380 -0.125 137 HA GLN 23 HA GLN 23 5.181 10.784 -0.749 138 HB2 GLN 23 1HB GLN 23 7.588 10.154 0.947 139 HB3 GLN 23 2HB GLN 23 6.937 11.784 0.827 140 HG2 GLN 23 1HG GLN 23 4.755 10.912 1.619 141 HG3 GLN 23 2HG GLN 23 5.519 9.342 1.863 142 HE21 GLN 23 1HE2 GLN 23 4.264 10.867 3.874 143 HE22 GLN 23 2HE2 GLN 23 5.464 11.311 5.034 144 H ALA 24 H ALA 24 8.472 9.731 -1.518 145 HA ALA 24 HA ALA 24 9.405 12.148 -2.593 146 HB1 ALA 24 1HB ALA 24 10.878 10.286 -2.006 147 HB2 ALA 24 2HB ALA 24 10.214 9.339 -3.337 148 HB3 ALA 24 3HB ALA 24 11.131 10.808 -3.671 149 H LYS 25 H LYS 25 7.565 9.511 -4.023 150 HA LYS 25 HA LYS 25 7.798 10.260 -6.718 151 HB2 LYS 25 1HB LYS 25 6.948 8.083 -6.120 152 HB3 LYS 25 2HB LYS 25 5.591 8.800 -5.260 153 HG2 LYS 25 1HG LYS 25 4.574 8.201 -7.209 154 HG3 LYS 25 2HG LYS 25 5.067 9.848 -7.608 155 HD2 LYS 25 1HD LYS 25 6.977 7.642 -8.181 156 HD3 LYS 25 2HD LYS 25 5.561 7.801 -9.224 157 HE2 LYS 25 1HE LYS 25 6.248 9.806 -10.078 158 HE3 LYS 25 2HE LYS 25 7.123 10.254 -8.614 159 HZ1 LYS 25 3HZ LYS 25 8.321 9.475 -10.846 160 HZ2 LYS 25 1HZ LYS 25 8.168 7.973 -10.082 161 HZ3 LYS 25 2HZ LYS 25 8.990 9.235 -9.311 162 H GLY 26 H GLY 26 5.652 11.352 -4.157 163 HA2 GLY 26 1HA GLY 26 4.217 13.140 -4.041 164 HA3 GLY 26 2HA GLY 26 5.113 13.817 -5.393 165 H GLU 27 H GLU 27 3.344 10.773 -5.435 166 HA GLU 27 HA GLU 27 1.431 11.999 -7.314 167 HB2 GLU 27 1HB GLU 27 2.963 9.443 -7.473 168 HB3 GLU 27 2HB GLU 27 1.346 9.490 -8.161 169 HG2 GLU 27 1HG GLU 27 3.244 11.656 -8.886 170 HG3 GLU 27 2HG GLU 27 3.483 10.057 -9.591 171 HA PRO 28 HA PRO 28 -1.506 10.643 -4.254 172 HB2 PRO 28 1HB PRO 28 -3.713 11.485 -5.592 173 HB3 PRO 28 2HB PRO 28 -2.644 12.585 -4.713 174 HG2 PRO 28 1HG PRO 28 -2.748 11.985 -7.644 175 HG3 PRO 28 2HG PRO 28 -2.566 13.549 -6.829 176 HD2 PRO 28 1HD PRO 28 -0.468 12.211 -7.896 177 HD3 PRO 28 2HD PRO 28 -0.314 13.233 -6.453 178 H TRP 29 H TRP 29 -2.737 8.843 -3.975 179 HA TRP 29 HA TRP 29 -3.775 6.863 -4.406 180 HB2 TRP 29 1HB TRP 29 -3.999 7.632 -7.307 181 HB3 TRP 29 2HB TRP 29 -5.076 6.617 -6.352 182 HD1 TRP 29 HD TRP 29 -5.467 9.622 -8.007 183 HE1 TRP 29 1HE TRP 29 -6.939 11.334 -6.772 184 HE3 TRP 29 3HE TRP 29 -5.288 7.607 -3.312 185 HZ2 TRP 29 2HZ TRP 29 -7.897 11.772 -4.153 186 HZ3 TRP 29 3HZ TRP 29 -6.509 8.735 -1.498 187 HH2 TRP 29 HH TRP 29 -7.786 10.774 -1.911 188 H THR 30 H THR 30 -0.901 7.190 -4.644 189 HA THR 30 HA THR 30 -0.162 5.318 -6.763 190 HB THR 30 HB THR 30 1.589 6.844 -4.825 191 HG1 THR 30 1HG THR 30 0.509 8.135 -6.430 192 HG21 THR 30 3HG2 THR 30 2.947 5.082 -5.407 193 HG22 THR 30 1HG2 THR 30 3.287 6.195 -6.732 194 HG23 THR 30 2HG2 THR 30 2.166 4.854 -6.971 195 H PHE 31 H PHE 31 -0.751 3.299 -6.124 196 HA PHE 31 HA PHE 31 -0.110 2.385 -3.434 197 HB2 PHE 31 1HB PHE 31 -1.468 0.499 -3.883 198 HB3 PHE 31 2HB PHE 31 -2.299 1.858 -4.633 199 HD1 PHE 31 1HD PHE 31 -2.376 2.086 -7.053 200 HD2 PHE 31 2HD PHE 31 -0.493 -1.251 -5.203 201 HE1 PHE 31 1HE PHE 31 -2.400 0.888 -9.202 202 HE2 PHE 31 2HE PHE 31 -0.512 -2.456 -7.348 203 HZ PHE 31 HZ PHE 31 -1.466 -1.387 -9.351 204 H LEU 32 H LEU 32 0.888 0.177 -3.220 205 HA LEU 32 HA LEU 32 2.566 -0.820 -5.289 206 HB2 LEU 32 1HB LEU 32 4.663 -0.113 -4.651 207 HB3 LEU 32 2HB LEU 32 3.691 1.339 -4.423 208 HG LEU 32 HG LEU 32 3.538 0.519 -1.954 209 HD11 LEU 32 1HD1 LEU 32 6.047 -0.498 -1.666 210 HD12 LEU 32 2HD1 LEU 32 5.499 -1.304 -3.134 211 HD13 LEU 32 3HD1 LEU 32 4.561 -1.447 -1.647 212 HD21 LEU 32 3HD2 LEU 32 5.962 1.538 -1.669 213 HD22 LEU 32 1HD2 LEU 32 4.592 2.530 -2.173 214 HD23 LEU 32 2HD2 LEU 32 5.735 1.929 -3.375 215 H VAL 33 H VAL 33 3.023 -2.900 -4.891 216 HA VAL 33 HA VAL 33 2.288 -3.980 -2.282 217 HB VAL 33 HB VAL 33 3.021 -5.468 -4.807 218 HG11 VAL 33 1HG1 VAL 33 1.582 -6.437 -2.341 219 HG12 VAL 33 2HG1 VAL 33 2.057 -7.398 -3.743 220 HG13 VAL 33 3HG1 VAL 33 3.289 -6.719 -2.680 221 HG21 VAL 33 3HG2 VAL 33 0.506 -4.225 -3.892 222 HG22 VAL 33 1HG2 VAL 33 1.071 -4.579 -5.524 223 HG23 VAL 33 2HG2 VAL 33 0.374 -5.862 -4.535 224 H ARG 34 H ARG 34 3.706 -4.737 -0.838 225 HA ARG 34 HA ARG 34 6.419 -5.417 -1.683 226 HB2 ARG 34 1HB ARG 34 7.429 -4.070 0.093 227 HB3 ARG 34 2HB ARG 34 6.535 -3.059 -1.035 228 HG2 ARG 34 1HG ARG 34 4.617 -3.139 0.601 229 HG3 ARG 34 2HG ARG 34 5.742 -3.874 1.744 230 HD2 ARG 34 1HD ARG 34 7.167 -1.939 1.665 231 HD3 ARG 34 2HD ARG 34 6.196 -1.226 0.378 232 HE ARG 34 HE ARG 34 4.777 -0.434 1.975 233 HH11 ARG 34 2HH1 ARG 34 6.581 -3.090 3.318 234 HH12 ARG 34 1HH1 ARG 34 5.929 -2.898 4.911 235 HH21 ARG 34 2HH2 ARG 34 3.911 -0.170 4.069 236 HH22 ARG 34 1HH2 ARG 34 4.410 -1.237 5.338 237 H GLU 35 H GLU 35 7.485 -6.865 -0.317 238 HA GLU 35 HA GLU 35 5.788 -8.596 1.175 239 HB2 GLU 35 1HB GLU 35 8.752 -8.489 0.686 240 HB3 GLU 35 2HB GLU 35 8.063 -9.650 1.810 241 HG2 GLU 35 1HG GLU 35 6.651 -10.532 0.002 242 HG3 GLU 35 2HG GLU 35 7.410 -9.403 -1.117 243 H SER 36 H SER 36 5.961 -9.146 3.409 244 HA SER 36 HA SER 36 6.354 -6.824 5.084 245 HB2 SER 36 1HB SER 36 5.416 -9.627 5.736 246 HB3 SER 36 2HB SER 36 5.460 -8.293 6.888 247 HG SER 36 HG SER 36 3.667 -8.826 4.884 248 H LEU 37 H LEU 37 7.517 -7.042 7.181 249 HA LEU 37 HA LEU 37 10.035 -8.508 6.775 250 HB2 LEU 37 1HB LEU 37 9.361 -5.902 8.047 251 HB3 LEU 37 2HB LEU 37 10.746 -6.805 8.656 252 HG LEU 37 HG LEU 37 11.374 -6.825 6.069 253 HD11 LEU 37 1HD1 LEU 37 10.833 -4.565 5.139 254 HD12 LEU 37 2HD1 LEU 37 9.645 -4.386 6.430 255 HD13 LEU 37 3HD1 LEU 37 9.464 -5.673 5.238 256 HD21 LEU 37 3HD2 LEU 37 12.991 -5.983 7.455 257 HD22 LEU 37 1HD2 LEU 37 11.888 -4.851 8.238 258 HD23 LEU 37 2HD2 LEU 37 12.499 -4.509 6.619 259 H SER 38 H SER 38 7.346 -8.021 8.912 260 HA SER 38 HA SER 38 8.597 -9.671 10.986 261 HB2 SER 38 1HB SER 38 6.345 -7.718 10.939 262 HB3 SER 38 2HB SER 38 6.264 -9.034 12.111 263 HG SER 38 HG SER 38 7.481 -6.864 12.524 264 H GLN 39 H GLN 39 5.283 -9.422 9.698 265 HA GLN 39 HA GLN 39 4.621 -12.093 10.307 266 HB2 GLN 39 1HB GLN 39 3.363 -10.133 8.384 267 HB3 GLN 39 2HB GLN 39 2.662 -11.693 8.792 268 HG2 GLN 39 1HG GLN 39 2.484 -11.022 11.121 269 HG3 GLN 39 2HG GLN 39 3.226 -9.469 10.739 270 HE21 GLN 39 1HE2 GLN 39 2.061 -7.979 9.461 271 HE22 GLN 39 2HE2 GLN 39 0.339 -8.060 9.344 272 HA PRO 40 HA PRO 40 6.879 -13.980 6.943 273 HB2 PRO 40 1HB PRO 40 6.251 -16.533 7.617 274 HB3 PRO 40 2HB PRO 40 7.494 -15.596 8.455 275 HG2 PRO 40 1HG PRO 40 4.655 -16.117 9.251 276 HG3 PRO 40 2HG PRO 40 6.120 -16.144 10.250 277 HD2 PRO 40 1HD PRO 40 4.417 -14.040 10.219 278 HD3 PRO 40 2HD PRO 40 6.165 -13.850 10.471 279 H GLY 41 H GLY 41 6.119 -14.073 4.929 280 HA2 GLY 41 1HA GLY 41 4.855 -14.932 3.162 281 HA3 GLY 41 2HA GLY 41 3.767 -15.668 4.330 282 H ASP 42 H ASP 42 3.023 -13.475 5.832 283 HA ASP 42 HA ASP 42 0.889 -12.432 4.446 284 HB2 ASP 42 1HB ASP 42 2.395 -11.112 6.715 285 HB3 ASP 42 2HB ASP 42 0.761 -10.706 6.199 286 H PHE 43 H PHE 43 0.463 -10.560 3.310 287 HA PHE 43 HA PHE 43 2.838 -9.179 2.265 288 HB2 PHE 43 1HB PHE 43 0.067 -9.421 1.076 289 HB3 PHE 43 2HB PHE 43 1.422 -8.577 0.335 290 HD1 PHE 43 1HD PHE 43 0.483 -11.930 1.656 291 HD2 PHE 43 2HD PHE 43 2.758 -9.701 -1.167 292 HE1 PHE 43 1HE PHE 43 1.188 -14.025 0.574 293 HE2 PHE 43 2HE PHE 43 3.466 -11.791 -2.253 294 HZ PHE 43 HZ PHE 43 2.680 -13.958 -1.383 295 H VAL 44 H VAL 44 2.309 -6.866 1.504 296 HA VAL 44 HA VAL 44 0.517 -5.501 3.383 297 HB VAL 44 HB VAL 44 3.399 -4.729 2.910 298 HG11 VAL 44 1HG1 VAL 44 1.386 -3.367 4.688 299 HG12 VAL 44 2HG1 VAL 44 3.030 -2.842 4.320 300 HG13 VAL 44 3HG1 VAL 44 1.792 -2.815 3.064 301 HG21 VAL 44 3HG2 VAL 44 2.338 -5.196 5.626 302 HG22 VAL 44 1HG2 VAL 44 2.537 -6.621 4.606 303 HG23 VAL 44 2HG2 VAL 44 3.919 -5.577 4.944 304 H LEU 45 H LEU 45 -0.412 -3.633 2.618 305 HA LEU 45 HA LEU 45 0.226 -2.919 -0.169 306 HB2 LEU 45 1HB LEU 45 -1.896 -3.980 -0.164 307 HB3 LEU 45 2HB LEU 45 -2.426 -3.058 1.243 308 HG LEU 45 HG LEU 45 -2.152 -1.007 -0.346 309 HD11 LEU 45 1HD1 LEU 45 -1.144 -2.643 -2.103 310 HD12 LEU 45 2HD1 LEU 45 -2.237 -1.358 -2.618 311 HD13 LEU 45 3HD1 LEU 45 -2.834 -3.009 -2.451 312 HD21 LEU 45 3HD2 LEU 45 -4.369 -0.999 -0.210 313 HD22 LEU 45 1HD2 LEU 45 -4.280 -2.642 0.427 314 HD23 LEU 45 2HD2 LEU 45 -4.498 -2.377 -1.304 315 H SER 46 H SER 46 1.122 -0.979 -0.300 316 HA SER 46 HA SER 46 0.354 1.067 1.675 317 HB2 SER 46 1HB SER 46 2.899 0.950 0.043 318 HB3 SER 46 2HB SER 46 2.530 2.082 1.343 319 HG SER 46 HG SER 46 2.556 -0.715 1.754 320 H VAL 47 H VAL 47 -0.313 3.056 1.002 321 HA VAL 47 HA VAL 47 -0.272 3.662 -1.862 322 HB VAL 47 HB VAL 47 -2.765 3.667 -0.159 323 HG11 VAL 47 1HG1 VAL 47 -3.048 5.602 -1.386 324 HG12 VAL 47 2HG1 VAL 47 -2.144 4.982 -2.770 325 HG13 VAL 47 3HG1 VAL 47 -3.775 4.395 -2.446 326 HG21 VAL 47 3HG2 VAL 47 -3.377 2.334 -2.433 327 HG22 VAL 47 1HG2 VAL 47 -1.675 1.910 -2.251 328 HG23 VAL 47 2HG2 VAL 47 -2.815 1.557 -0.953 329 H LEU 48 H LEU 48 -0.397 5.868 -2.366 330 HA LEU 48 HA LEU 48 0.175 7.636 -0.091 331 HB2 LEU 48 1HB LEU 48 1.846 7.368 -1.957 332 HB3 LEU 48 2HB LEU 48 0.685 8.178 -3.007 333 HG LEU 48 HG LEU 48 0.819 10.163 -1.497 334 HD11 LEU 48 1HD1 LEU 48 3.050 8.565 -0.255 335 HD12 LEU 48 2HD1 LEU 48 1.572 9.119 0.531 336 HD13 LEU 48 3HD1 LEU 48 2.783 10.289 0.006 337 HD21 LEU 48 3HD2 LEU 48 3.201 9.131 -2.993 338 HD22 LEU 48 1HD2 LEU 48 3.237 10.708 -2.202 339 HD23 LEU 48 2HD2 LEU 48 2.045 10.380 -3.461 340 H SER 49 H SER 49 -1.820 8.304 0.575 341 HA SER 49 HA SER 49 -4.023 8.898 -1.005 342 HB2 SER 49 1HB SER 49 -4.735 10.356 0.944 343 HB3 SER 49 2HB SER 49 -4.326 8.691 1.355 344 HG SER 49 HG SER 49 -2.088 9.865 1.615 345 H ASP 50 H ASP 50 -4.984 10.994 -1.503 346 HA ASP 50 HA ASP 50 -3.021 12.760 -2.688 347 HB2 ASP 50 1HB ASP 50 -4.955 12.189 -4.020 348 HB3 ASP 50 2HB ASP 50 -6.044 12.758 -2.758 349 H GLN 51 H GLN 51 -4.167 12.514 0.326 350 HA GLN 51 HA GLN 51 -4.622 15.356 0.795 351 HB2 GLN 51 1HB GLN 51 -4.752 12.964 2.635 352 HB3 GLN 51 2HB GLN 51 -5.056 14.618 3.147 353 HG2 GLN 51 1HG GLN 51 -7.019 14.772 1.894 354 HG3 GLN 51 2HG GLN 51 -6.607 13.365 0.914 355 HE21 GLN 51 1HE2 GLN 51 -8.347 12.117 1.316 356 HE22 GLN 51 2HE2 GLN 51 -8.774 11.513 2.878 357 HA PRO 52 HA PRO 52 -0.228 15.709 1.644 358 HB2 PRO 52 1HB PRO 52 -0.253 18.414 1.869 359 HB3 PRO 52 2HB PRO 52 -0.253 17.580 0.311 360 HG2 PRO 52 1HG PRO 52 -2.544 18.782 1.816 361 HG3 PRO 52 2HG PRO 52 -2.177 18.865 0.082 362 HD2 PRO 52 1HD PRO 52 -4.021 17.164 1.101 363 HD3 PRO 52 2HD PRO 52 -3.047 16.771 -0.330 364 H LYS 53 H LYS 53 0.976 16.054 3.489 365 HA LYS 53 HA LYS 53 -0.210 15.751 5.969 366 HB2 LYS 53 1HB LYS 53 2.497 16.698 5.097 367 HB3 LYS 53 2HB LYS 53 2.066 16.730 6.802 368 HG2 LYS 53 1HG LYS 53 1.367 14.232 6.308 369 HG3 LYS 53 2HG LYS 53 2.542 14.419 5.005 370 HD2 LYS 53 1HD LYS 53 3.918 13.686 6.682 371 HD3 LYS 53 2HD LYS 53 4.020 15.430 6.941 372 HE2 LYS 53 1HE LYS 53 1.978 15.023 8.514 373 HE3 LYS 53 2HE LYS 53 2.549 13.355 8.511 374 HZ1 LYS 53 3HZ LYS 53 4.060 15.757 9.378 375 HZ2 LYS 53 1HZ LYS 53 4.748 14.221 9.212 376 HZ3 LYS 53 2HZ LYS 53 3.524 14.482 10.351 377 H ALA 54 H ALA 54 0.999 18.733 4.461 378 HA ALA 54 HA ALA 54 -0.572 20.258 6.436 379 HB1 ALA 54 1HB ALA 54 2.116 20.378 6.199 380 HB2 ALA 54 2HB ALA 54 1.635 21.660 5.087 381 HB3 ALA 54 3HB ALA 54 1.113 21.711 6.771 382 H GLY 55 H GLY 55 0.686 20.277 3.108 383 HA2 GLY 55 1HA GLY 55 -1.724 20.959 1.893 384 HA3 GLY 55 2HA GLY 55 -0.886 22.466 2.232 385 HA PRO 56 HA PRO 56 0.582 21.356 -1.922 386 HB2 PRO 56 1HB PRO 56 1.137 23.916 -2.634 387 HB3 PRO 56 2HB PRO 56 -0.486 23.223 -2.730 388 HG2 PRO 56 1HG PRO 56 0.702 24.979 -0.616 389 HG3 PRO 56 2HG PRO 56 -0.907 25.052 -1.358 390 HD2 PRO 56 1HD PRO 56 -0.474 23.944 1.075 391 HD3 PRO 56 2HD PRO 56 -1.735 23.360 -0.030 392 H GLY 57 H GLY 57 2.431 20.310 -0.961 393 HA2 GLY 57 1HA GLY 57 4.876 20.963 -1.672 394 HA3 GLY 57 2HA GLY 57 4.699 22.034 -0.290 395 H SER 58 H SER 58 3.037 20.072 1.162 396 HA SER 58 HA SER 58 5.190 18.662 2.428 397 HB2 SER 58 1HB SER 58 3.683 18.177 4.133 398 HB3 SER 58 2HB SER 58 3.018 19.674 3.482 399 HG SER 58 HG SER 58 1.833 17.980 2.056 400 HA PRO 59 HA PRO 59 4.971 14.778 0.395 401 HB2 PRO 59 1HB PRO 59 5.566 13.084 2.431 402 HB3 PRO 59 2HB PRO 59 6.767 14.141 1.678 403 HG2 PRO 59 1HG PRO 59 5.245 14.518 4.229 404 HG3 PRO 59 2HG PRO 59 6.960 14.821 3.893 405 HD2 PRO 59 1HD PRO 59 5.115 16.802 3.956 406 HD3 PRO 59 2HD PRO 59 6.533 16.852 2.891 407 H LEU 60 H LEU 60 3.081 13.978 -0.281 408 HA LEU 60 HA LEU 60 0.677 13.853 0.951 409 HB2 LEU 60 1HB LEU 60 1.911 11.949 -1.017 410 HB3 LEU 60 2HB LEU 60 0.241 11.782 -0.479 411 HG LEU 60 HG LEU 60 1.404 14.148 -1.951 412 HD11 LEU 60 1HD1 LEU 60 1.163 12.173 -3.360 413 HD12 LEU 60 2HD1 LEU 60 -0.018 13.408 -3.791 414 HD13 LEU 60 3HD1 LEU 60 -0.516 12.003 -2.849 415 HD21 LEU 60 3HD2 LEU 60 -0.986 14.844 -2.105 416 HD22 LEU 60 1HD2 LEU 60 -0.317 14.912 -0.475 417 HD23 LEU 60 2HD2 LEU 60 -1.378 13.582 -0.938 418 H ARG 61 H ARG 61 -0.469 12.441 2.250 419 HA ARG 61 HA ARG 61 1.050 10.984 4.167 420 HB2 ARG 61 1HB ARG 61 -1.301 12.194 4.332 421 HB3 ARG 61 2HB ARG 61 -1.896 10.595 3.906 422 HG2 ARG 61 1HG ARG 61 -1.931 10.436 6.174 423 HG3 ARG 61 2HG ARG 61 -0.296 9.848 5.858 424 HD2 ARG 61 1HD ARG 61 0.531 12.172 6.226 425 HD3 ARG 61 2HD ARG 61 -1.103 12.626 6.707 426 HE ARG 61 HE ARG 61 0.038 10.407 8.169 427 HH11 ARG 61 2HH1 ARG 61 -0.444 13.851 8.014 428 HH12 ARG 61 1HH1 ARG 61 -0.205 14.093 9.712 429 HH21 ARG 61 2HH2 ARG 61 0.353 10.712 10.408 430 HH22 ARG 61 1HH2 ARG 61 0.248 12.307 11.073 431 H VAL 62 H VAL 62 1.190 8.782 4.518 432 HA VAL 62 HA VAL 62 0.471 7.106 2.208 433 HB VAL 62 HB VAL 62 2.557 6.562 4.324 434 HG11 VAL 62 1HG1 VAL 62 3.305 4.825 2.697 435 HG12 VAL 62 2HG1 VAL 62 1.723 4.511 3.413 436 HG13 VAL 62 3HG1 VAL 62 1.839 5.137 1.768 437 HG21 VAL 62 3HG2 VAL 62 3.471 8.327 3.130 438 HG22 VAL 62 1HG2 VAL 62 4.083 6.921 2.258 439 HG23 VAL 62 2HG2 VAL 62 2.713 7.829 1.617 440 H THR 63 H THR 63 -0.319 4.975 2.580 441 HA THR 63 HA THR 63 -1.511 4.567 5.244 442 HB THR 63 HB THR 63 -2.817 4.002 2.575 443 HG1 THR 63 1HG THR 63 -3.442 5.843 4.663 444 HG21 THR 63 3HG2 THR 63 -3.920 3.571 5.352 445 HG22 THR 63 1HG2 THR 63 -3.299 2.288 4.314 446 HG23 THR 63 2HG2 THR 63 -4.722 3.208 3.824 447 H HIS 64 H HIS 64 -0.302 2.958 6.063 448 HA HIS 64 HA HIS 64 0.523 0.735 4.373 449 HB2 HIS 64 1HB HIS 64 1.077 1.095 7.319 450 HB3 HIS 64 2HB HIS 64 1.942 0.071 6.177 451 HD1 HIS 64 1HD HIS 64 3.115 1.578 4.138 452 HD2 HIS 64 2HD HIS 64 2.338 3.436 7.771 453 HE1 HIS 64 1HE HIS 64 4.592 3.613 4.181 454 HE2 HIS 64 2HE HIS 64 4.168 4.675 6.426 455 H ILE 65 H ILE 65 -0.869 -0.871 4.072 456 HA ILE 65 HA ILE 65 -2.626 -1.647 6.306 457 HB ILE 65 HB ILE 65 -3.051 -2.032 3.340 458 HG12 ILE 65 1HG1 ILE 65 -4.903 -0.503 5.110 459 HG13 ILE 65 2HG1 ILE 65 -3.399 0.269 4.620 460 HG21 ILE 65 1HG2 ILE 65 -5.019 -2.668 5.517 461 HG22 ILE 65 2HG2 ILE 65 -5.068 -3.134 3.817 462 HG23 ILE 65 3HG2 ILE 65 -3.883 -3.867 4.898 463 HD11 ILE 65 3HD1 ILE 65 -5.368 0.778 3.182 464 HD12 ILE 65 1HD1 ILE 65 -3.982 0.110 2.322 465 HD13 ILE 65 2HD1 ILE 65 -5.371 -0.913 2.686 466 H LYS 66 H LYS 66 -2.593 -3.697 7.044 467 HA LYS 66 HA LYS 66 -0.495 -5.442 6.045 468 HB2 LYS 66 1HB LYS 66 -2.357 -5.915 8.374 469 HB3 LYS 66 2HB LYS 66 -0.835 -6.731 8.048 470 HG2 LYS 66 1HG LYS 66 0.384 -4.670 8.449 471 HG3 LYS 66 2HG LYS 66 -1.133 -3.810 8.718 472 HD2 LYS 66 1HD LYS 66 -1.492 -4.807 10.759 473 HD3 LYS 66 2HD LYS 66 -0.544 -6.238 10.346 474 HE2 LYS 66 1HE LYS 66 0.824 -3.597 10.558 475 HE3 LYS 66 2HE LYS 66 0.376 -4.450 12.034 476 HZ1 LYS 66 3HZ LYS 66 2.475 -5.249 11.640 477 HZ2 LYS 66 1HZ LYS 66 2.305 -5.225 9.957 478 HZ3 LYS 66 2HZ LYS 66 1.544 -6.430 10.867 479 H VAL 67 H VAL 67 -0.937 -6.795 4.441 480 HA VAL 67 HA VAL 67 -3.656 -7.691 3.959 481 HB VAL 67 HB VAL 67 -1.157 -8.388 2.414 482 HG11 VAL 67 1HG1 VAL 67 -3.701 -9.472 2.290 483 HG12 VAL 67 2HG1 VAL 67 -3.669 -8.303 0.969 484 HG13 VAL 67 3HG1 VAL 67 -2.454 -9.579 1.049 485 HG21 VAL 67 3HG2 VAL 67 -2.700 -5.927 2.541 486 HG22 VAL 67 1HG2 VAL 67 -1.128 -6.241 1.805 487 HG23 VAL 67 2HG2 VAL 67 -2.607 -6.586 0.909 488 H MET 68 H MET 68 -4.318 -9.286 5.272 489 HA MET 68 HA MET 68 -2.571 -11.297 6.300 490 HB2 MET 68 1HB MET 68 -5.520 -10.791 6.407 491 HB3 MET 68 2HB MET 68 -4.891 -12.354 6.913 492 HG2 MET 68 1HG MET 68 -3.693 -11.431 8.688 493 HG3 MET 68 2HG MET 68 -3.797 -9.801 8.026 494 HE1 MET 68 3HE MET 68 -5.950 -8.458 7.824 495 HE2 MET 68 1HE MET 68 -7.060 -9.711 7.269 496 HE3 MET 68 2HE MET 68 -7.445 -8.767 8.708 497 H CYS 69 H CYS 69 -2.618 -13.544 5.863 498 HA CYS 69 HA CYS 69 -3.428 -14.161 3.107 499 HB2 CYS 69 1HB CYS 69 -1.836 -16.230 3.734 500 HB3 CYS 69 2HB CYS 69 -1.220 -14.716 3.085 501 HG CYS 69 HG CYS 69 0.108 -16.042 5.463 502 H GLU 70 H GLU 70 -4.926 -15.668 2.695 503 HA GLU 70 HA GLU 70 -5.912 -17.265 4.967 504 HB2 GLU 70 1HB GLU 70 -7.409 -16.135 2.599 505 HB3 GLU 70 2HB GLU 70 -8.097 -17.299 3.723 506 HG2 GLU 70 1HG GLU 70 -7.068 -14.573 4.476 507 HG3 GLU 70 2HG GLU 70 -8.761 -14.983 4.207 508 H GLY 71 H GLY 71 -4.254 -18.841 4.348 509 HA2 GLY 71 1HA GLY 71 -3.524 -20.736 3.265 510 HA3 GLY 71 2HA GLY 71 -5.239 -21.057 3.061 511 H GLY 72 H GLY 72 -2.955 -18.709 1.641 512 HA2 GLY 72 1HA GLY 72 -2.178 -18.944 -0.637 513 HA3 GLY 72 2HA GLY 72 -3.680 -19.774 -1.011 514 H ARG 73 H ARG 73 -5.492 -18.012 0.203 515 HA ARG 73 HA ARG 73 -5.533 -15.929 -1.799 516 HB2 ARG 73 1HB ARG 73 -7.497 -16.512 0.425 517 HB3 ARG 73 2HB ARG 73 -7.764 -15.428 -0.933 518 HG2 ARG 73 1HG ARG 73 -8.106 -17.130 -2.408 519 HG3 ARG 73 2HG ARG 73 -7.063 -18.249 -1.528 520 HD2 ARG 73 1HD ARG 73 -8.757 -18.505 0.196 521 HD3 ARG 73 2HD ARG 73 -9.788 -17.329 -0.619 522 HE ARG 73 HE ARG 73 -9.393 -19.209 -2.517 523 HH11 ARG 73 2HH1 ARG 73 -10.434 -19.358 0.802 524 HH12 ARG 73 1HH1 ARG 73 -11.426 -20.759 0.565 525 HH21 ARG 73 2HH2 ARG 73 -10.695 -21.054 -2.842 526 HH22 ARG 73 1HH2 ARG 73 -11.573 -21.724 -1.509 527 H TYR 74 H TYR 74 -6.552 -13.744 -0.830 528 HA TYR 74 HA TYR 74 -5.032 -12.938 1.542 529 HB2 TYR 74 1HB TYR 74 -4.990 -11.435 -1.083 530 HB3 TYR 74 2HB TYR 74 -4.243 -10.901 0.418 531 HD1 TYR 74 1HD TYR 74 -2.874 -13.213 1.432 532 HD2 TYR 74 2HD TYR 74 -3.327 -11.944 -2.604 533 HE1 TYR 74 1HE TYR 74 -0.808 -14.405 0.832 534 HE2 TYR 74 2HE TYR 74 -1.263 -13.133 -3.215 535 HH TYR 74 HH TYR 74 0.361 -14.481 -2.521 536 H THR 75 H THR 75 -6.065 -11.507 2.828 537 HA THR 75 HA THR 75 -8.500 -10.217 1.799 538 HB THR 75 HB THR 75 -9.098 -12.258 3.112 539 HG1 THR 75 1HG THR 75 -10.375 -10.796 4.731 540 HG21 THR 75 3HG2 THR 75 -7.112 -11.359 4.843 541 HG22 THR 75 1HG2 THR 75 -8.236 -12.688 5.127 542 HG23 THR 75 2HG2 THR 75 -8.622 -11.068 5.709 543 H VAL 76 H VAL 76 -9.292 -8.483 3.318 544 HA VAL 76 HA VAL 76 -7.053 -7.186 4.723 545 HB VAL 76 HB VAL 76 -7.915 -4.990 3.935 546 HG11 VAL 76 1HG1 VAL 76 -6.870 -5.077 1.783 547 HG12 VAL 76 2HG1 VAL 76 -6.014 -6.192 2.850 548 HG13 VAL 76 3HG1 VAL 76 -7.157 -6.813 1.657 549 HG21 VAL 76 3HG2 VAL 76 -9.996 -4.991 3.115 550 HG22 VAL 76 1HG2 VAL 76 -9.271 -5.570 1.616 551 HG23 VAL 76 2HG2 VAL 76 -9.953 -6.719 2.768 552 H GLY 77 H GLY 77 -7.912 -7.938 6.706 553 HA2 GLY 77 1HA GLY 77 -9.039 -7.494 8.672 554 HA3 GLY 77 2HA GLY 77 -9.851 -6.166 7.856 555 H GLY 78 H GLY 78 -11.295 -7.244 5.915 556 HA2 GLY 78 1HA GLY 78 -13.453 -8.458 7.293 557 HA3 GLY 78 2HA GLY 78 -13.336 -8.237 5.554 558 H LEU 79 H LEU 79 -14.555 -10.431 6.098 559 HA LEU 79 HA LEU 79 -12.731 -12.649 6.495 560 HB2 LEU 79 1HB LEU 79 -15.683 -12.579 5.890 561 HB3 LEU 79 2HB LEU 79 -14.759 -14.039 6.237 562 HG LEU 79 HG LEU 79 -14.880 -11.802 8.228 563 HD11 LEU 79 1HD1 LEU 79 -16.754 -13.291 9.245 564 HD12 LEU 79 2HD1 LEU 79 -17.000 -13.800 7.575 565 HD13 LEU 79 3HD1 LEU 79 -17.154 -12.099 8.008 566 HD21 LEU 79 3HD2 LEU 79 -13.422 -14.058 8.191 567 HD22 LEU 79 1HD2 LEU 79 -14.882 -14.656 8.979 568 HD23 LEU 79 2HD2 LEU 79 -13.998 -13.296 9.673 569 H GLU 80 H GLU 80 -14.276 -10.978 3.875 570 HA GLU 80 HA GLU 80 -14.355 -12.801 1.845 571 HB2 GLU 80 1HB GLU 80 -13.791 -9.884 1.959 572 HB3 GLU 80 2HB GLU 80 -13.445 -10.712 0.448 573 HG2 GLU 80 1HG GLU 80 -16.085 -11.179 1.714 574 HG3 GLU 80 2HG GLU 80 -15.795 -9.620 0.944 575 H THR 81 H THR 81 -12.783 -12.808 -0.102 576 HA THR 81 HA THR 81 -9.978 -12.726 0.651 577 HB THR 81 HB THR 81 -9.481 -15.008 0.147 578 HG1 THR 81 1HG THR 81 -10.921 -15.502 -1.472 579 HG21 THR 81 3HG2 THR 81 -10.741 -16.209 1.880 580 HG22 THR 81 1HG2 THR 81 -11.916 -14.897 1.932 581 HG23 THR 81 2HG2 THR 81 -10.249 -14.608 2.430 582 H PHE 82 H PHE 82 -8.558 -13.290 -1.234 583 HA PHE 82 HA PHE 82 -9.842 -12.947 -3.835 584 HB2 PHE 82 1HB PHE 82 -7.642 -11.138 -2.815 585 HB3 PHE 82 2HB PHE 82 -8.264 -11.148 -4.460 586 HD1 PHE 82 2HD PHE 82 -9.236 -10.554 -0.934 587 HD2 PHE 82 1HD PHE 82 -10.131 -9.876 -5.039 588 HE1 PHE 82 2HE PHE 82 -10.961 -8.925 -0.284 589 HE2 PHE 82 1HE PHE 82 -11.857 -8.244 -4.397 590 HZ PHE 82 HZ PHE 82 -12.275 -7.768 -2.018 591 H ASP 83 H ASP 83 -8.836 -14.016 -5.453 592 HA ASP 83 HA ASP 83 -7.241 -16.140 -5.136 593 HB2 ASP 83 1HB ASP 83 -8.010 -15.860 -7.312 594 HB3 ASP 83 2HB ASP 83 -7.439 -14.196 -7.407 595 H SER 84 H SER 84 -5.974 -12.877 -5.799 596 HA SER 84 HA SER 84 -3.703 -13.305 -4.114 597 HB2 SER 84 1HB SER 84 -3.228 -14.472 -6.412 598 HB3 SER 84 2HB SER 84 -2.960 -12.824 -6.979 599 HG SER 84 HG SER 84 -1.126 -12.797 -5.960 600 H LEU 85 H LEU 85 -2.031 -11.398 -4.654 601 HA LEU 85 HA LEU 85 -3.186 -9.032 -3.907 602 HB2 LEU 85 1HB LEU 85 -0.642 -9.740 -5.264 603 HB3 LEU 85 2HB LEU 85 -1.098 -8.038 -5.213 604 HG LEU 85 HG LEU 85 0.389 -8.470 -3.396 605 HD11 LEU 85 1HD1 LEU 85 -2.189 -7.457 -3.078 606 HD12 LEU 85 2HD1 LEU 85 -0.797 -7.184 -2.030 607 HD13 LEU 85 3HD1 LEU 85 -1.922 -8.496 -1.677 608 HD21 LEU 85 3HD2 LEU 85 -0.042 -10.941 -3.351 609 HD22 LEU 85 1HD2 LEU 85 -1.501 -10.602 -2.421 610 HD23 LEU 85 2HD2 LEU 85 0.080 -10.176 -1.766 611 H THR 86 H THR 86 -2.939 -10.380 -7.111 612 HA THR 86 HA THR 86 -3.492 -8.035 -8.587 613 HB THR 86 HB THR 86 -4.054 -10.917 -9.309 614 HG1 THR 86 1HG THR 86 -1.815 -10.319 -8.908 615 HG21 THR 86 3HG2 THR 86 -3.531 -9.064 -11.487 616 HG22 THR 86 1HG2 THR 86 -4.983 -8.639 -10.580 617 HG23 THR 86 2HG2 THR 86 -4.829 -10.244 -11.298 618 H ASP 87 H ASP 87 -5.645 -10.753 -7.736 619 HA ASP 87 HA ASP 87 -8.009 -9.533 -8.635 620 HB2 ASP 87 1HB ASP 87 -7.618 -11.993 -8.064 621 HB3 ASP 87 2HB ASP 87 -7.876 -11.535 -6.383 622 H LEU 88 H LEU 88 -6.387 -9.486 -5.507 623 HA LEU 88 HA LEU 88 -8.464 -8.195 -4.080 624 HB2 LEU 88 1HB LEU 88 -6.628 -9.433 -3.010 625 HB3 LEU 88 2HB LEU 88 -5.496 -8.193 -3.546 626 HG LEU 88 HG LEU 88 -7.793 -7.372 -1.837 627 HD11 LEU 88 1HD1 LEU 88 -6.142 -9.466 -1.048 628 HD12 LEU 88 2HD1 LEU 88 -7.165 -8.470 -0.012 629 HD13 LEU 88 3HD1 LEU 88 -5.473 -8.038 -0.258 630 HD21 LEU 88 3HD2 LEU 88 -6.291 -5.693 -2.761 631 HD22 LEU 88 1HD2 LEU 88 -4.907 -6.516 -2.040 632 HD23 LEU 88 2HD2 LEU 88 -6.130 -5.777 -1.006 633 H VAL 89 H VAL 89 -5.325 -6.857 -5.129 634 HA VAL 89 HA VAL 89 -5.863 -4.192 -4.647 635 HB VAL 89 HB VAL 89 -4.175 -5.335 -6.877 636 HG11 VAL 89 1HG1 VAL 89 -3.758 -2.654 -5.619 637 HG12 VAL 89 2HG1 VAL 89 -3.214 -3.252 -7.188 638 HG13 VAL 89 3HG1 VAL 89 -4.913 -2.847 -6.938 639 HG21 VAL 89 3HG2 VAL 89 -2.542 -5.720 -5.388 640 HG22 VAL 89 1HG2 VAL 89 -2.872 -4.232 -4.501 641 HG23 VAL 89 2HG2 VAL 89 -3.834 -5.676 -4.189 642 H GLU 90 H GLU 90 -6.142 -5.838 -7.804 643 HA GLU 90 HA GLU 90 -7.194 -3.812 -9.305 644 HB2 GLU 90 1HB GLU 90 -7.718 -6.772 -9.353 645 HB3 GLU 90 2HB GLU 90 -8.487 -5.695 -10.509 646 HG2 GLU 90 1HG GLU 90 -6.119 -4.879 -11.036 647 HG3 GLU 90 2HG GLU 90 -5.579 -6.326 -10.185 648 H HIS 91 H HIS 91 -9.090 -6.168 -7.418 649 HA HIS 91 HA HIS 91 -11.612 -5.103 -7.923 650 HB2 HIS 91 1HB HIS 91 -11.405 -7.267 -6.898 651 HB3 HIS 91 2HB HIS 91 -10.562 -6.587 -5.509 652 HD1 HIS 91 1HD HIS 91 -13.889 -7.447 -6.730 653 HD2 HIS 91 2HD HIS 91 -12.286 -4.934 -3.835 654 HE1 HIS 91 1HE HIS 91 -15.804 -6.873 -5.203 655 HE2 HIS 91 2HE HIS 91 -14.828 -5.284 -3.510 656 H PHE 92 H PHE 92 -9.063 -3.906 -5.959 657 HA PHE 92 HA PHE 92 -10.831 -2.133 -4.460 658 HB2 PHE 92 1HB PHE 92 -8.010 -3.018 -4.207 659 HB3 PHE 92 2HB PHE 92 -8.378 -1.388 -3.650 660 HD1 PHE 92 2HD PHE 92 -10.894 -1.509 -2.382 661 HD2 PHE 92 1HD PHE 92 -7.834 -4.467 -2.447 662 HE1 PHE 92 2HE PHE 92 -11.740 -2.427 -0.261 663 HE2 PHE 92 1HE PHE 92 -8.675 -5.389 -0.327 664 HZ PHE 92 HZ PHE 92 -10.630 -4.368 0.770 665 H LYS 93 H LYS 93 -8.523 -2.086 -7.073 666 HA LYS 93 HA LYS 93 -8.062 0.689 -7.191 667 HB2 LYS 93 1HB LYS 93 -8.060 -1.280 -9.485 668 HB3 LYS 93 2HB LYS 93 -7.265 0.288 -9.455 669 HG2 LYS 93 1HG LYS 93 -6.063 -0.755 -7.348 670 HG3 LYS 93 2HG LYS 93 -6.483 -2.266 -8.160 671 HD2 LYS 93 1HD LYS 93 -5.123 -0.021 -9.619 672 HD3 LYS 93 2HD LYS 93 -4.206 -1.209 -8.691 673 HE2 LYS 93 1HE LYS 93 -4.920 -2.983 -10.066 674 HE3 LYS 93 2HE LYS 93 -6.203 -2.013 -10.788 675 HZ1 LYS 93 3HZ LYS 93 -4.778 -1.599 -12.421 676 HZ2 LYS 93 1HZ LYS 93 -3.476 -2.268 -11.573 677 HZ3 LYS 93 2HZ LYS 93 -3.895 -0.646 -11.338 678 H LYS 94 H LYS 94 -10.821 -1.162 -7.921 679 HA LYS 94 HA LYS 94 -11.955 0.998 -9.564 680 HB2 LYS 94 1HB LYS 94 -13.682 -0.651 -10.206 681 HB3 LYS 94 2HB LYS 94 -12.058 -1.176 -10.631 682 HG2 LYS 94 1HG LYS 94 -12.117 -2.456 -8.403 683 HG3 LYS 94 2HG LYS 94 -13.861 -2.197 -8.473 684 HD2 LYS 94 1HD LYS 94 -12.460 -3.292 -10.868 685 HD3 LYS 94 2HD LYS 94 -12.777 -4.360 -9.499 686 HE2 LYS 94 1HE LYS 94 -15.059 -4.234 -9.758 687 HE3 LYS 94 2HE LYS 94 -14.989 -2.659 -10.550 688 HZ1 LYS 94 3HZ LYS 94 -13.999 -3.794 -12.495 689 HZ2 LYS 94 1HZ LYS 94 -15.577 -4.301 -12.158 690 HZ3 LYS 94 2HZ LYS 94 -14.266 -5.282 -11.735 691 H THR 95 H THR 95 -12.566 -1.034 -6.737 692 HA THR 95 HA THR 95 -14.993 0.394 -6.071 693 HB THR 95 HB THR 95 -15.105 -1.055 -4.110 694 HG1 THR 95 1HG THR 95 -13.439 -2.456 -3.619 695 HG21 THR 95 3HG2 THR 95 -14.979 -1.979 -6.829 696 HG22 THR 95 1HG2 THR 95 -16.040 -2.503 -5.523 697 HG23 THR 95 2HG2 THR 95 -14.459 -3.256 -5.731 698 H GLY 96 H GLY 96 -11.846 -0.112 -4.453 699 HA2 GLY 96 1HA GLY 96 -10.621 1.816 -3.618 700 HA3 GLY 96 2HA GLY 96 -12.168 2.564 -3.251 701 H ILE 97 H ILE 97 -10.087 2.334 -1.390 702 HA ILE 97 HA ILE 97 -11.141 0.306 0.470 703 HB ILE 97 HB ILE 97 -8.404 1.578 0.391 704 HG12 ILE 97 1HG1 ILE 97 -9.069 -1.349 0.156 705 HG13 ILE 97 2HG1 ILE 97 -9.052 -0.298 -1.256 706 HG21 ILE 97 1HG2 ILE 97 -9.785 -0.066 2.454 707 HG22 ILE 97 2HG2 ILE 97 -8.054 -0.281 2.207 708 HG23 ILE 97 3HG2 ILE 97 -8.690 1.302 2.650 709 HD11 ILE 97 3HD1 ILE 97 -6.665 0.323 -0.294 710 HD12 ILE 97 1HD1 ILE 97 -6.813 -1.292 0.399 711 HD13 ILE 97 2HD1 ILE 97 -6.927 -1.067 -1.348 712 H GLU 98 H GLU 98 -11.528 0.879 2.623 713 HA GLU 98 HA GLU 98 -11.577 3.773 3.168 714 HB2 GLU 98 1HB GLU 98 -13.842 3.133 2.764 715 HB3 GLU 98 2HB GLU 98 -13.683 1.700 3.769 716 HG2 GLU 98 1HG GLU 98 -13.776 2.905 5.738 717 HG3 GLU 98 2HG GLU 98 -13.297 4.411 4.957 718 H GLU 99 H GLU 99 -10.650 4.400 5.016 719 HA GLU 99 HA GLU 99 -9.527 2.359 6.755 720 HB2 GLU 99 1HB GLU 99 -9.179 5.362 6.748 721 HB3 GLU 99 2HB GLU 99 -8.310 4.247 7.792 722 HG2 GLU 99 1HG GLU 99 -7.282 3.205 5.851 723 HG3 GLU 99 2HG GLU 99 -8.177 4.287 4.785 724 H ALA 100 H ALA 100 -9.912 2.193 8.960 725 HA ALA 100 HA ALA 100 -12.479 2.452 9.889 726 HB1 ALA 100 1HB ALA 100 -11.656 1.433 11.686 727 HB2 ALA 100 2HB ALA 100 -10.068 1.547 10.927 728 HB3 ALA 100 3HB ALA 100 -10.596 2.792 12.057 729 H SER 101 H SER 101 -9.801 4.743 10.322 730 HA SER 101 HA SER 101 -11.021 6.580 11.987 731 HB2 SER 101 1HB SER 101 -8.940 6.860 9.836 732 HB3 SER 101 2HB SER 101 -9.527 8.280 10.702 733 HG SER 101 HG SER 101 -8.214 6.004 11.757 734 H GLY 102 H GLY 102 -11.111 6.436 8.436 735 HA2 GLY 102 1HA GLY 102 -13.523 6.964 7.684 736 HA3 GLY 102 2HA GLY 102 -13.203 8.507 8.462 737 H ALA 103 H ALA 103 -10.762 6.729 6.695 738 HA ALA 103 HA ALA 103 -10.718 8.902 4.713 739 HB1 ALA 103 1HB ALA 103 -8.673 7.732 6.255 740 HB2 ALA 103 2HB ALA 103 -8.387 7.253 4.581 741 HB3 ALA 103 3HB ALA 103 -8.520 8.961 4.999 742 H PHE 104 H PHE 104 -10.091 8.311 2.496 743 HA PHE 104 HA PHE 104 -10.948 5.594 1.760 744 HB2 PHE 104 1HB PHE 104 -11.983 8.214 0.824 745 HB3 PHE 104 2HB PHE 104 -11.773 6.965 -0.398 746 HD1 PHE 104 2HD PHE 104 -12.907 4.729 -0.028 747 HD2 PHE 104 1HD PHE 104 -13.836 8.210 2.237 748 HE1 PHE 104 2HE PHE 104 -15.053 3.723 0.632 749 HE2 PHE 104 1HE PHE 104 -15.983 7.210 2.902 750 HZ PHE 104 HZ PHE 104 -16.595 4.964 2.099 751 H VAL 105 H VAL 105 -9.111 4.666 1.094 752 HA VAL 105 HA VAL 105 -7.092 6.168 -0.336 753 HB VAL 105 HB VAL 105 -7.230 3.254 0.444 754 HG11 VAL 105 1HG1 VAL 105 -4.797 3.248 -0.149 755 HG12 VAL 105 2HG1 VAL 105 -5.893 3.382 -1.525 756 HG13 VAL 105 3HG1 VAL 105 -5.047 4.810 -0.928 757 HG21 VAL 105 3HG2 VAL 105 -6.975 4.652 2.366 758 HG22 VAL 105 1HG2 VAL 105 -5.402 3.939 2.009 759 HG23 VAL 105 2HG2 VAL 105 -5.731 5.615 1.569 760 H TYR 106 H TYR 106 -6.709 6.144 -2.475 761 HA TYR 106 HA TYR 106 -8.359 4.353 -4.136 762 HB2 TYR 106 1HB TYR 106 -7.443 7.145 -4.848 763 HB3 TYR 106 2HB TYR 106 -8.481 6.105 -5.816 764 HD1 TYR 106 1HD TYR 106 -10.380 5.073 -3.855 765 HD2 TYR 106 2HD TYR 106 -8.736 8.977 -4.246 766 HE1 TYR 106 1HE TYR 106 -12.364 6.012 -2.745 767 HE2 TYR 106 2HE TYR 106 -10.714 9.928 -3.136 768 HH TYR 106 HH TYR 106 -13.332 7.844 -1.943 769 H LEU 107 H LEU 107 -7.409 3.375 -5.894 770 HA LEU 107 HA LEU 107 -4.491 3.710 -6.133 771 HB2 LEU 107 1HB LEU 107 -6.022 1.184 -6.704 772 HB3 LEU 107 2HB LEU 107 -4.275 1.386 -6.608 773 HG LEU 107 HG LEU 107 -4.893 2.092 -4.114 774 HD11 LEU 107 1HD1 LEU 107 -6.958 -0.015 -4.648 775 HD12 LEU 107 2HD1 LEU 107 -7.352 1.702 -4.705 776 HD13 LEU 107 3HD1 LEU 107 -6.741 0.988 -3.213 777 HD21 LEU 107 3HD2 LEU 107 -3.937 -0.249 -5.437 778 HD22 LEU 107 1HD2 LEU 107 -4.925 -0.728 -4.056 779 HD23 LEU 107 2HD2 LEU 107 -3.550 0.352 -3.824 780 H ARG 108 H ARG 108 -4.490 5.124 -7.848 781 HA ARG 108 HA ARG 108 -6.007 4.482 -10.244 782 HB2 ARG 108 1HB ARG 108 -4.122 6.783 -9.697 783 HB3 ARG 108 2HB ARG 108 -5.178 6.622 -11.094 784 HG2 ARG 108 1HG ARG 108 -7.035 6.446 -9.223 785 HG3 ARG 108 2HG ARG 108 -5.830 7.336 -8.291 786 HD2 ARG 108 1HD ARG 108 -7.110 8.140 -10.896 787 HD3 ARG 108 2HD ARG 108 -7.265 8.933 -9.328 788 HE ARG 108 HE ARG 108 -4.594 9.022 -9.869 789 HH11 ARG 108 2HH1 ARG 108 -7.472 10.047 -11.539 790 HH12 ARG 108 1HH1 ARG 108 -6.693 11.371 -12.339 791 HH21 ARG 108 2HH2 ARG 108 -3.557 10.762 -10.917 792 HH22 ARG 108 1HH2 ARG 108 -4.467 11.776 -11.986 793 H GLN 109 H GLN 109 -2.621 4.815 -9.243 794 HA GLN 109 HA GLN 109 -1.852 2.993 -11.387 795 HB2 GLN 109 1HB GLN 109 -0.112 4.400 -12.238 796 HB3 GLN 109 2HB GLN 109 -1.605 5.328 -12.257 797 HG2 GLN 109 1HG GLN 109 0.235 5.543 -9.920 798 HG3 GLN 109 2HG GLN 109 0.602 6.409 -11.412 799 HE21 GLN 109 1HE2 GLN 109 -0.007 7.539 -8.854 800 HE22 GLN 109 2HE2 GLN 109 -1.437 8.488 -9.045 801 HA PRO 110 HA PRO 110 0.693 1.325 -8.208 802 HB2 PRO 110 1HB PRO 110 2.458 -0.048 -9.746 803 HB3 PRO 110 2HB PRO 110 0.791 -0.577 -9.493 804 HG2 PRO 110 1HG PRO 110 1.979 0.894 -11.813 805 HG3 PRO 110 2HG PRO 110 0.829 -0.455 -11.815 806 HD2 PRO 110 1HD PRO 110 0.060 2.115 -12.179 807 HD3 PRO 110 2HD PRO 110 -0.972 0.915 -11.376 808 H TYR 111 H TYR 111 3.334 0.812 -8.213 809 HA TYR 111 HA TYR 111 4.736 3.259 -8.986 810 HB2 TYR 111 1HB TYR 111 4.042 3.769 -6.743 811 HB3 TYR 111 2HB TYR 111 4.564 2.192 -6.163 812 HD1 TYR 111 1HD TYR 111 5.708 5.495 -7.326 813 HD2 TYR 111 2HD TYR 111 6.863 1.767 -5.632 814 HE1 TYR 111 1HE TYR 111 7.909 6.439 -6.766 815 HE2 TYR 111 2HE TYR 111 9.067 2.700 -5.067 816 HH TYR 111 HH TYR 111 10.435 4.446 -5.272 817 H TYR 112 H TYR 112 6.448 2.625 -10.098 818 HA TYR 112 HA TYR 112 7.718 0.061 -9.426 819 HB2 TYR 112 1HB TYR 112 8.250 1.621 -11.939 820 HB3 TYR 112 2HB TYR 112 8.442 -0.104 -11.650 821 HD1 TYR 112 1HD TYR 112 6.171 -1.349 -11.028 822 HD2 TYR 112 2HD TYR 112 6.435 2.310 -13.184 823 HE1 TYR 112 1HE TYR 112 3.945 -1.762 -11.989 824 HE2 TYR 112 2HE TYR 112 4.209 1.907 -14.150 825 HH TYR 112 HH TYR 112 2.635 -1.095 -13.953 826 H SER 113 H SER 113 9.861 -0.078 -8.936 827 HA SER 113 HA SER 113 11.168 2.410 -8.189 828 HB2 SER 113 1HB SER 113 11.067 0.320 -6.714 829 HB3 SER 113 2HB SER 113 12.268 -0.374 -7.802 830 HG SER 113 HG SER 113 13.722 1.137 -7.179 831 H GLY 114 H GLY 114 13.506 2.691 -8.661 832 HA2 GLY 114 1HA GLY 114 15.350 2.635 -10.068 833 HA3 GLY 114 2HA GLY 114 14.586 1.332 -10.967 834 HA PRO 115 HA PRO 115 13.238 5.713 -12.651 835 HB2 PRO 115 1HB PRO 115 15.321 7.455 -12.640 836 HB3 PRO 115 2HB PRO 115 14.148 7.353 -11.322 837 HG2 PRO 115 1HG PRO 115 16.890 6.168 -11.513 838 HG3 PRO 115 2HG PRO 115 16.116 6.984 -10.142 839 HD2 PRO 115 1HD PRO 115 16.294 4.289 -10.321 840 HD3 PRO 115 2HD PRO 115 14.930 5.105 -9.531 841 H SER 116 H SER 116 16.585 4.570 -12.952 842 HA SER 116 HA SER 116 17.922 4.199 -14.763 843 HB2 SER 116 1HB SER 116 15.207 3.317 -15.706 844 HB3 SER 116 2HB SER 116 16.607 3.213 -16.774 845 HG SER 116 HG SER 116 16.959 1.397 -15.784 846 H SER 117 H SER 117 17.476 6.846 -14.488 847 HA SER 117 HA SER 117 16.482 8.018 -16.922 848 HB2 SER 117 1HB SER 117 16.988 10.126 -15.931 849 HB3 SER 117 2HB SER 117 16.396 9.102 -14.623 850 HG SER 117 HG SER 117 19.140 9.501 -15.225 851 H GLY 118 H GLY 118 18.002 9.784 -17.933 852 HA2 GLY 118 1HA GLY 118 19.732 10.053 -19.430 853 HA3 GLY 118 2HA GLY 118 20.733 9.620 -18.051 854 H1 MET 1 H MET 1 21.808 -0.961 16.257 855 HA MET 1 HA MET 1 20.501 0.822 14.534 856 HB2 MET 1 1HB MET 1 22.244 -0.784 13.822 857 HB3 MET 1 2HB MET 1 21.107 -2.103 14.065 858 HG2 MET 1 1HG MET 1 19.911 -1.609 12.194 859 HG3 MET 1 2HG MET 1 20.298 0.109 12.266 860 HE1 MET 1 3HE MET 1 20.826 -3.148 10.661 861 HE2 MET 1 1HE MET 1 20.411 -1.865 9.524 862 HE3 MET 1 2HE MET 1 21.948 -2.715 9.368 863 H ASP 2 H ASP 2 18.714 0.310 16.597 864 HA ASP 2 HA ASP 2 16.696 -1.525 15.604 865 HB2 ASP 2 1HB ASP 2 16.274 0.359 17.901 866 HB3 ASP 2 2HB ASP 2 15.607 -1.251 17.650 867 H ASN 3 H ASN 3 14.913 -0.987 14.493 868 HA ASN 3 HA ASN 3 14.660 1.747 13.564 869 HB2 ASN 3 1HB ASN 3 13.057 -0.722 12.858 870 HB3 ASN 3 2HB ASN 3 12.948 0.837 12.044 871 HD21 ASN 3 1HD2 ASN 3 13.600 0.139 10.063 872 HD22 ASN 3 2HD2 ASN 3 15.198 -0.424 9.728 873 H GLN 4 H GLN 4 12.981 3.126 13.969 874 HA GLN 4 HA GLN 4 11.637 2.921 16.420 875 HB2 GLN 4 1HB GLN 4 11.464 4.735 14.063 876 HB3 GLN 4 2HB GLN 4 10.159 4.785 15.239 877 HG2 GLN 4 1HG GLN 4 11.642 5.406 16.985 878 HG3 GLN 4 2HG GLN 4 13.055 5.091 15.978 879 HE21 GLN 4 1HE2 GLN 4 11.527 7.500 17.340 880 HE22 GLN 4 2HE2 GLN 4 11.708 8.745 16.156 881 H GLY 5 H GLY 5 10.190 2.875 13.153 882 HA2 GLY 5 1HA GLY 5 8.701 1.027 12.559 883 HA3 GLY 5 2HA GLY 5 8.138 1.039 14.225 884 H VAL 6 H VAL 6 6.875 1.475 11.454 885 HA VAL 6 HA VAL 6 5.600 4.069 12.008 886 HB VAL 6 HB VAL 6 4.867 4.072 9.680 887 HG11 VAL 6 1HG1 VAL 6 6.855 4.792 8.818 888 HG12 VAL 6 2HG1 VAL 6 7.284 4.724 10.529 889 HG13 VAL 6 3HG1 VAL 6 7.755 3.412 9.447 890 HG21 VAL 6 3HG2 VAL 6 5.613 2.365 8.110 891 HG22 VAL 6 1HG2 VAL 6 6.390 1.481 9.423 892 HG23 VAL 6 2HG2 VAL 6 4.635 1.648 9.391 893 H ILE 7 H ILE 7 3.373 4.253 12.089 894 HA ILE 7 HA ILE 7 1.955 1.991 13.055 895 HB ILE 7 HB ILE 7 0.740 4.593 12.134 896 HG12 ILE 7 1HG1 ILE 7 2.662 4.908 13.725 897 HG13 ILE 7 2HG1 ILE 7 1.114 5.487 14.329 898 HG21 ILE 7 1HG2 ILE 7 -0.356 3.265 14.482 899 HG22 ILE 7 2HG2 ILE 7 -1.171 3.891 13.050 900 HG23 ILE 7 3HG2 ILE 7 -0.450 2.282 13.021 901 HD11 ILE 7 3HD1 ILE 7 1.084 4.018 16.017 902 HD12 ILE 7 1HD1 ILE 7 1.762 2.717 15.038 903 HD13 ILE 7 2HD1 ILE 7 2.823 3.944 15.731 904 H PTR 8 H PTR 8 0.326 0.787 12.126 905 HA PTR 8 HA PTR 8 0.165 0.956 9.193 906 HB2 PTR 8 2HB PTR 8 0.074 -1.324 11.122 907 HB3 PTR 8 3HB PTR 8 -0.800 -1.472 9.602 908 HD1 PTR 8 1HD PTR 8 2.556 -0.191 10.663 909 HD2 PTR 8 2HD PTR 8 0.338 -2.642 7.985 910 HE1 PTR 8 1HE PTR 8 4.644 -0.833 9.533 911 HE2 PTR 8 2HE PTR 8 2.420 -3.292 6.847 912 H SER 9 H SER 9 -1.572 2.132 8.662 913 HA SER 9 HA SER 9 -3.849 2.615 10.115 914 HB2 SER 9 1HB SER 9 -3.379 2.513 7.142 915 HB3 SER 9 2HB SER 9 -4.956 2.938 7.805 916 HG SER 9 HG SER 9 -3.511 4.743 7.379 917 H ASP 10 H ASP 10 -6.113 1.892 9.579 918 HA ASP 10 HA ASP 10 -6.221 -0.983 8.969 919 HB2 ASP 10 1HB ASP 10 -7.118 0.428 11.425 920 HB3 ASP 10 2HB ASP 10 -8.177 -0.832 10.799 921 H LEU 11 H LEU 11 -8.824 -1.507 9.081 922 HA LEU 11 HA LEU 11 -10.024 0.400 7.183 923 HB2 LEU 11 1HB LEU 11 -10.427 -2.578 7.420 924 HB3 LEU 11 2HB LEU 11 -11.301 -1.525 6.309 925 HG LEU 11 HG LEU 11 -8.346 -2.138 6.254 926 HD11 LEU 11 1HD1 LEU 11 -9.229 -2.923 3.883 927 HD12 LEU 11 2HD1 LEU 11 -10.719 -3.159 4.796 928 HD13 LEU 11 3HD1 LEU 11 -9.243 -3.990 5.287 929 HD21 LEU 11 3HD2 LEU 11 -8.812 0.175 5.588 930 HD22 LEU 11 1HD2 LEU 11 -9.991 -0.406 4.412 931 HD23 LEU 11 2HD2 LEU 11 -8.284 -0.807 4.220 932 H ASN 12 H ASN 12 -12.576 -0.262 7.105 933 HA ASN 12 HA ASN 12 -13.564 0.603 9.663 934 HB2 ASN 12 1HB ASN 12 -15.542 1.094 8.581 935 HB3 ASN 12 2HB ASN 12 -14.410 1.183 7.234 936 HD21 ASN 12 1HD2 ASN 12 -14.220 -0.695 5.859 937 HD22 ASN 12 2HD2 ASN 12 -15.590 -1.722 5.631 938 H LEU 13 H LEU 13 -13.941 -2.297 7.646 939 HA LEU 13 HA LEU 13 -15.718 -3.745 9.153 940 HB2 LEU 13 1HB LEU 13 -13.401 -5.267 8.145 941 HB3 LEU 13 2HB LEU 13 -15.126 -5.531 7.898 942 HG LEU 13 HG LEU 13 -14.821 -3.346 6.391 943 HD11 LEU 13 1HD1 LEU 13 -12.142 -4.722 6.307 944 HD12 LEU 13 2HD1 LEU 13 -12.462 -3.071 6.837 945 HD13 LEU 13 3HD1 LEU 13 -12.704 -3.517 5.147 946 HD21 LEU 13 3HD2 LEU 13 -15.682 -5.643 5.795 947 HD22 LEU 13 1HD2 LEU 13 -14.022 -6.061 5.372 948 HD23 LEU 13 2HD2 LEU 13 -14.854 -4.772 4.503 949 HA PRO 14 HA PRO 14 -12.043 -5.417 11.836 950 HB2 PRO 14 1HB PRO 14 -9.734 -3.992 11.747 951 HB3 PRO 14 2HB PRO 14 -10.071 -5.344 10.658 952 HG2 PRO 14 1HG PRO 14 -10.326 -2.402 10.161 953 HG3 PRO 14 2HG PRO 14 -9.665 -3.663 9.103 954 HD2 PRO 14 1HD PRO 14 -12.165 -2.668 8.798 955 HD3 PRO 14 2HD PRO 14 -11.752 -4.351 8.409 956 HA PRO 15 HA PRO 15 -12.983 -2.573 15.076 957 HB2 PRO 15 1HB PRO 15 -11.545 -3.709 17.078 958 HB3 PRO 15 2HB PRO 15 -13.049 -4.405 16.461 959 HG2 PRO 15 1HG PRO 15 -10.219 -5.148 15.829 960 HG3 PRO 15 2HG PRO 15 -11.609 -6.203 16.142 961 HD2 PRO 15 1HD PRO 15 -10.716 -5.672 13.641 962 HD3 PRO 15 2HD PRO 15 -12.429 -5.966 14.001 Start of MODEL 16 1 H1 GLY 1 H GLY 1 24.190 -7.456 -10.448 2 HA2 GLY 1 1HA GLY 1 22.246 -9.199 -11.430 3 HA3 GLY 1 2HA GLY 1 21.938 -7.879 -10.312 4 H SER 2 H SER 2 19.904 -8.313 -11.850 5 HA SER 2 HA SER 2 20.106 -6.370 -14.058 6 HB2 SER 2 1HB SER 2 18.340 -8.810 -13.787 7 HB3 SER 2 2HB SER 2 18.128 -7.586 -15.039 8 HG SER 2 HG SER 2 19.967 -8.205 -15.985 9 H SER 3 H SER 3 18.196 -5.076 -14.471 10 HA SER 3 HA SER 3 16.472 -4.735 -12.110 11 HB2 SER 3 1HB SER 3 17.904 -2.592 -13.688 12 HB3 SER 3 2HB SER 3 16.558 -2.246 -12.602 13 HG SER 3 HG SER 3 17.994 -3.569 -11.064 14 H GLY 4 H GLY 4 14.391 -4.901 -12.596 15 HA2 GLY 4 1HA GLY 4 13.221 -3.640 -14.871 16 HA3 GLY 4 2HA GLY 4 13.356 -5.375 -15.111 17 H SER 5 H SER 5 12.472 -3.298 -12.350 18 HA SER 5 HA SER 5 10.773 -4.907 -11.013 19 HB2 SER 5 1HB SER 5 11.380 -2.360 -10.690 20 HB3 SER 5 2HB SER 5 9.831 -2.105 -11.495 21 HG SER 5 HG SER 5 9.203 -3.839 -9.778 22 H SER 6 H SER 6 9.101 -6.111 -11.576 23 HA SER 6 HA SER 6 7.475 -5.296 -13.885 24 HB2 SER 6 1HB SER 6 8.617 -7.536 -13.945 25 HB3 SER 6 2HB SER 6 7.603 -8.027 -12.589 26 HG SER 6 HG SER 6 6.101 -8.435 -13.983 27 H GLY 7 H GLY 7 5.444 -4.646 -13.596 28 HA2 GLY 7 1HA GLY 7 3.364 -4.363 -12.649 29 HA3 GLY 7 2HA GLY 7 3.725 -5.716 -11.588 30 H TRP 8 H TRP 8 3.057 -4.906 -9.665 31 HA TRP 8 HA TRP 8 4.386 -2.442 -8.741 32 HB2 TRP 8 1HB TRP 8 2.294 -2.545 -7.079 33 HB3 TRP 8 2HB TRP 8 2.213 -1.745 -8.647 34 HD1 TRP 8 HD TRP 8 0.097 -2.352 -9.930 35 HE1 TRP 8 1HE TRP 8 -1.455 -4.399 -10.087 36 HE3 TRP 8 3HE TRP 8 2.540 -5.472 -6.700 37 HZ2 TRP 8 2HZ TRP 8 -1.623 -6.993 -8.986 38 HZ3 TRP 8 3HZ TRP 8 1.618 -7.720 -6.307 39 HH2 TRP 8 HH TRP 8 -0.421 -8.462 -7.427 40 H TYR 9 H TYR 9 5.272 -5.261 -8.570 41 HA TYR 9 HA TYR 9 5.169 -5.695 -5.667 42 HB2 TYR 9 1HB TYR 9 4.624 -7.521 -7.464 43 HB3 TYR 9 2HB TYR 9 6.374 -7.652 -7.593 44 HD1 TYR 9 1HD TYR 9 3.560 -7.864 -5.176 45 HD2 TYR 9 2HD TYR 9 7.596 -8.905 -6.030 46 HE1 TYR 9 1HE TYR 9 3.587 -9.350 -3.216 47 HE2 TYR 9 2HE TYR 9 7.633 -10.395 -4.073 48 HH TYR 9 HH TYR 9 5.258 -10.334 -1.674 49 H HIS 10 H HIS 10 6.877 -5.253 -4.446 50 HA HIS 10 HA HIS 10 9.453 -4.750 -5.780 51 HB2 HIS 10 1HB HIS 10 8.256 -3.608 -3.256 52 HB3 HIS 10 2HB HIS 10 9.958 -3.423 -3.666 53 HD1 HIS 10 1HD HIS 10 10.562 -1.659 -5.377 54 HD2 HIS 10 2HD HIS 10 6.462 -2.225 -5.002 55 HE1 HIS 10 1HE HIS 10 9.502 0.215 -6.677 56 HE2 HIS 10 2HE HIS 10 7.022 -0.100 -6.364 57 H GLY 11 H GLY 11 8.108 -5.965 -2.707 58 HA2 GLY 11 1HA GLY 11 8.709 -8.040 -1.733 59 HA3 GLY 11 2HA GLY 11 10.173 -8.042 -2.705 60 H HIS 12 H HIS 12 12.025 -7.177 -1.894 61 HA HIS 12 HA HIS 12 12.191 -6.816 0.918 62 HB2 HIS 12 1HB HIS 12 14.525 -6.558 0.602 63 HB3 HIS 12 2HB HIS 12 14.008 -7.709 -0.627 64 HD1 HIS 12 1HD HIS 12 13.670 -6.630 -3.093 65 HD2 HIS 12 2HD HIS 12 15.878 -4.405 -0.366 66 HE1 HIS 12 1HE HIS 12 14.944 -4.953 -4.468 67 HE2 HIS 12 2HE HIS 12 16.338 -3.676 -2.804 68 H MET 13 H MET 13 11.430 -5.075 1.922 69 HA MET 13 HA MET 13 12.459 -2.487 1.392 70 HB2 MET 13 1HB MET 13 10.623 -2.890 -0.408 71 HB3 MET 13 2HB MET 13 9.500 -2.637 0.921 72 HG2 MET 13 1HG MET 13 9.641 -0.523 0.089 73 HG3 MET 13 2HG MET 13 10.917 -0.473 1.304 74 HE1 MET 13 3HE MET 13 11.295 0.323 -3.095 75 HE2 MET 13 1HE MET 13 10.095 -0.838 -2.523 76 HE3 MET 13 2HE MET 13 10.074 0.819 -1.921 77 H SER 14 H SER 14 12.455 -1.386 3.248 78 HA SER 14 HA SER 14 11.047 -2.487 5.522 79 HB2 SER 14 1HB SER 14 13.121 -0.340 5.162 80 HB3 SER 14 2HB SER 14 12.257 -0.506 6.691 81 HG SER 14 HG SER 14 14.363 -1.831 5.968 82 H GLY 15 H GLY 15 9.450 -1.497 6.713 83 HA2 GLY 15 1HA GLY 15 7.435 -0.129 5.558 84 HA3 GLY 15 2HA GLY 15 7.827 0.066 7.260 85 H GLY 16 H GLY 16 9.329 1.772 7.855 86 HA2 GLY 16 1HA GLY 16 8.713 4.264 7.095 87 HA3 GLY 16 2HA GLY 16 10.346 3.845 7.592 88 H GLN 17 H GLN 17 10.795 2.109 5.278 89 HA GLN 17 HA GLN 17 11.934 3.987 3.535 90 HB2 GLN 17 1HB GLN 17 12.389 1.417 3.895 91 HB3 GLN 17 2HB GLN 17 11.244 1.242 2.572 92 HG2 GLN 17 1HG GLN 17 12.630 2.380 1.070 93 HG3 GLN 17 2HG GLN 17 13.627 3.045 2.362 94 HE21 GLN 17 1HE2 GLN 17 14.790 1.804 0.239 95 HE22 GLN 17 2HE2 GLN 17 15.478 0.300 0.737 96 H ALA 18 H ALA 18 9.282 1.724 2.770 97 HA ALA 18 HA ALA 18 8.434 2.561 0.383 98 HB1 ALA 18 1HB ALA 18 6.490 1.498 0.803 99 HB2 ALA 18 2HB ALA 18 7.325 1.007 2.278 100 HB3 ALA 18 3HB ALA 18 6.211 2.374 2.310 101 H GLU 19 H GLU 19 7.513 4.187 3.417 102 HA GLU 19 HA GLU 19 5.898 6.174 2.449 103 HB2 GLU 19 1HB GLU 19 7.759 5.972 4.756 104 HB3 GLU 19 2HB GLU 19 7.165 7.575 4.345 105 HG2 GLU 19 1HG GLU 19 4.835 6.469 4.375 106 HG3 GLU 19 2HG GLU 19 5.637 5.178 5.269 107 H THR 20 H THR 20 9.443 6.284 2.715 108 HA THR 20 HA THR 20 9.824 8.850 1.691 109 HB THR 20 HB THR 20 11.673 6.476 1.377 110 HG1 THR 20 1HG THR 20 11.699 8.483 3.396 111 HG21 THR 20 3HG2 THR 20 13.194 8.754 1.675 112 HG22 THR 20 1HG2 THR 20 11.877 9.287 0.631 113 HG23 THR 20 2HG2 THR 20 12.880 7.915 0.157 114 H LEU 21 H LEU 21 10.154 5.755 -0.060 115 HA LEU 21 HA LEU 21 10.557 6.757 -2.596 116 HB2 LEU 21 1HB LEU 21 8.944 4.307 -1.906 117 HB3 LEU 21 2HB LEU 21 9.744 4.639 -3.441 118 HG LEU 21 HG LEU 21 11.895 4.704 -1.907 119 HD11 LEU 21 1HD1 LEU 21 9.885 3.858 -0.091 120 HD12 LEU 21 2HD1 LEU 21 11.617 4.039 0.186 121 HD13 LEU 21 3HD1 LEU 21 10.970 2.499 -0.384 122 HD21 LEU 21 3HD2 LEU 21 11.967 3.172 -3.608 123 HD22 LEU 21 1HD2 LEU 21 10.436 2.425 -3.151 124 HD23 LEU 21 2HD2 LEU 21 11.893 2.092 -2.215 125 H LEU 22 H LEU 22 7.444 5.929 -1.079 126 HA LEU 22 HA LEU 22 5.813 6.686 -3.228 127 HB2 LEU 22 1HB LEU 22 5.370 6.418 -0.281 128 HB3 LEU 22 2HB LEU 22 4.094 7.047 -1.321 129 HG LEU 22 HG LEU 22 5.390 4.347 -1.675 130 HD11 LEU 22 1HD1 LEU 22 2.996 5.220 -0.112 131 HD12 LEU 22 2HD1 LEU 22 4.272 4.087 0.332 132 HD13 LEU 22 3HD1 LEU 22 3.048 3.619 -0.849 133 HD21 LEU 22 3HD2 LEU 22 2.980 4.207 -2.864 134 HD22 LEU 22 1HD2 LEU 22 4.463 4.653 -3.708 135 HD23 LEU 22 2HD2 LEU 22 3.362 5.908 -3.138 136 H GLN 23 H GLN 23 6.280 8.495 -0.186 137 HA GLN 23 HA GLN 23 5.085 10.850 -0.881 138 HB2 GLN 23 1HB GLN 23 7.522 10.353 0.823 139 HB3 GLN 23 2HB GLN 23 6.791 11.944 0.669 140 HG2 GLN 23 1HG GLN 23 4.715 11.119 1.588 141 HG3 GLN 23 2HG GLN 23 5.372 9.485 1.662 142 HE21 GLN 23 1HE2 GLN 23 4.331 11.243 3.776 143 HE22 GLN 23 2HE2 GLN 23 5.599 11.371 4.943 144 H ALA 24 H ALA 24 8.389 9.835 -1.635 145 HA ALA 24 HA ALA 24 9.324 12.215 -2.749 146 HB1 ALA 24 1HB ALA 24 10.761 10.541 -4.158 147 HB2 ALA 24 2HB ALA 24 10.996 10.676 -2.415 148 HB3 ALA 24 3HB ALA 24 10.051 9.342 -3.075 149 H LYS 25 H LYS 25 7.316 9.682 -4.110 150 HA LYS 25 HA LYS 25 7.509 10.472 -6.819 151 HB2 LYS 25 1HB LYS 25 6.670 8.260 -6.055 152 HB3 LYS 25 2HB LYS 25 5.223 9.048 -5.441 153 HG2 LYS 25 1HG LYS 25 4.486 8.289 -7.469 154 HG3 LYS 25 2HG LYS 25 5.010 9.920 -7.894 155 HD2 LYS 25 1HD LYS 25 7.304 8.687 -8.341 156 HD3 LYS 25 2HD LYS 25 6.245 7.289 -8.546 157 HE2 LYS 25 1HE LYS 25 5.059 8.339 -10.311 158 HE3 LYS 25 2HE LYS 25 5.800 9.902 -9.972 159 HZ1 LYS 25 3HZ LYS 25 7.063 9.228 -11.721 160 HZ2 LYS 25 1HZ LYS 25 6.911 7.581 -11.365 161 HZ3 LYS 25 2HZ LYS 25 7.974 8.545 -10.469 162 H GLY 26 H GLY 26 5.459 11.490 -4.157 163 HA2 GLY 26 1HA GLY 26 4.050 13.290 -3.940 164 HA3 GLY 26 2HA GLY 26 4.838 13.964 -5.359 165 H GLU 27 H GLU 27 3.532 10.893 -5.920 166 HA GLU 27 HA GLU 27 1.342 12.101 -7.442 167 HB2 GLU 27 1HB GLU 27 2.922 9.588 -7.670 168 HB3 GLU 27 2HB GLU 27 1.264 9.564 -8.253 169 HG2 GLU 27 1HG GLU 27 3.116 11.736 -9.119 170 HG3 GLU 27 2HG GLU 27 3.196 10.147 -9.875 171 HA PRO 28 HA PRO 28 -1.463 10.722 -4.272 172 HB2 PRO 28 1HB PRO 28 -3.727 11.540 -5.528 173 HB3 PRO 28 2HB PRO 28 -2.637 12.652 -4.692 174 HG2 PRO 28 1HG PRO 28 -2.845 12.045 -7.616 175 HG3 PRO 28 2HG PRO 28 -2.649 13.612 -6.810 176 HD2 PRO 28 1HD PRO 28 -0.579 12.293 -7.953 177 HD3 PRO 28 2HD PRO 28 -0.381 13.320 -6.520 178 H TRP 29 H TRP 29 -2.680 8.920 -3.944 179 HA TRP 29 HA TRP 29 -3.732 6.938 -4.336 180 HB2 TRP 29 1HB TRP 29 -4.000 7.695 -7.239 181 HB3 TRP 29 2HB TRP 29 -5.045 6.653 -6.278 182 HD1 TRP 29 HD TRP 29 -5.468 9.691 -7.899 183 HE1 TRP 29 1HE TRP 29 -6.978 11.354 -6.641 184 HE3 TRP 29 3HE TRP 29 -5.307 7.576 -3.248 185 HZ2 TRP 29 2HZ TRP 29 -7.970 11.719 -4.024 186 HZ3 TRP 29 3HZ TRP 29 -6.563 8.644 -1.422 187 HH2 TRP 29 HH TRP 29 -7.866 10.673 -1.804 188 H THR 30 H THR 30 -0.889 7.190 -4.537 189 HA THR 30 HA THR 30 -0.139 5.366 -6.691 190 HB THR 30 HB THR 30 1.567 6.854 -4.686 191 HG1 THR 30 1HG THR 30 0.533 8.063 -6.441 192 HG21 THR 30 3HG2 THR 30 2.505 4.648 -5.455 193 HG22 THR 30 1HG2 THR 30 3.490 6.055 -5.851 194 HG23 THR 30 2HG2 THR 30 2.496 5.296 -7.094 195 H PHE 31 H PHE 31 -0.826 3.354 -6.098 196 HA PHE 31 HA PHE 31 -0.219 2.351 -3.433 197 HB2 PHE 31 1HB PHE 31 -1.635 0.518 -3.936 198 HB3 PHE 31 2HB PHE 31 -2.423 1.927 -4.638 199 HD1 PHE 31 1HD PHE 31 -2.187 2.337 -7.110 200 HD2 PHE 31 2HD PHE 31 -1.036 -1.318 -5.257 201 HE1 PHE 31 1HE PHE 31 -2.255 1.211 -9.296 202 HE2 PHE 31 2HE PHE 31 -1.102 -2.450 -7.440 203 HZ PHE 31 HZ PHE 31 -1.712 -1.185 -9.464 204 H LEU 32 H LEU 32 0.878 0.301 -3.133 205 HA LEU 32 HA LEU 32 2.450 -0.808 -5.258 206 HB2 LEU 32 1HB LEU 32 4.597 -0.183 -4.579 207 HB3 LEU 32 2HB LEU 32 3.659 1.309 -4.555 208 HG LEU 32 HG LEU 32 3.388 0.654 -1.997 209 HD11 LEU 32 1HD1 LEU 32 5.765 -0.165 -1.335 210 HD12 LEU 32 2HD1 LEU 32 5.774 -0.863 -2.955 211 HD13 LEU 32 3HD1 LEU 32 4.531 -1.337 -1.798 212 HD21 LEU 32 3HD2 LEU 32 4.567 2.521 -1.727 213 HD22 LEU 32 1HD2 LEU 32 4.865 2.488 -3.464 214 HD23 LEU 32 2HD2 LEU 32 6.034 1.770 -2.356 215 H VAL 33 H VAL 33 3.024 -2.869 -4.814 216 HA VAL 33 HA VAL 33 2.307 -3.898 -2.167 217 HB VAL 33 HB VAL 33 2.980 -5.556 -4.590 218 HG11 VAL 33 1HG1 VAL 33 1.962 -7.326 -3.471 219 HG12 VAL 33 2HG1 VAL 33 2.844 -6.489 -2.191 220 HG13 VAL 33 3HG1 VAL 33 1.103 -6.258 -2.361 221 HG21 VAL 33 3HG2 VAL 33 0.391 -4.228 -3.851 222 HG22 VAL 33 1HG2 VAL 33 1.226 -4.241 -5.405 223 HG23 VAL 33 2HG2 VAL 33 0.431 -5.702 -4.818 224 H ARG 34 H ARG 34 3.693 -5.195 -0.955 225 HA ARG 34 HA ARG 34 6.360 -5.782 -1.848 226 HB2 ARG 34 1HB ARG 34 7.578 -4.406 -0.340 227 HB3 ARG 34 2HB ARG 34 6.448 -3.351 -1.176 228 HG2 ARG 34 1HG ARG 34 4.922 -3.608 0.813 229 HG3 ARG 34 2HG ARG 34 6.274 -4.385 1.638 230 HD2 ARG 34 1HD ARG 34 7.566 -2.434 1.600 231 HD3 ARG 34 2HD ARG 34 6.566 -1.692 0.353 232 HE ARG 34 HE ARG 34 5.174 -0.918 1.992 233 HH11 ARG 34 2HH1 ARG 34 7.148 -3.470 3.299 234 HH12 ARG 34 1HH1 ARG 34 6.603 -3.236 4.926 235 HH21 ARG 34 2HH2 ARG 34 4.448 -0.600 4.130 236 HH22 ARG 34 1HH2 ARG 34 5.066 -1.604 5.398 237 H GLU 35 H GLU 35 7.434 -7.251 -0.508 238 HA GLU 35 HA GLU 35 5.788 -8.962 1.008 239 HB2 GLU 35 1HB GLU 35 8.789 -8.745 0.773 240 HB3 GLU 35 2HB GLU 35 7.991 -10.003 1.708 241 HG2 GLU 35 1HG GLU 35 6.963 -10.909 -0.235 242 HG3 GLU 35 2HG GLU 35 7.473 -9.535 -1.215 243 H SER 36 H SER 36 5.333 -9.081 3.129 244 HA SER 36 HA SER 36 5.938 -6.837 4.798 245 HB2 SER 36 1HB SER 36 3.776 -8.136 4.847 246 HB3 SER 36 2HB SER 36 4.656 -9.446 5.632 247 HG SER 36 HG SER 36 4.558 -8.385 7.437 248 H LEU 37 H LEU 37 7.199 -6.753 6.643 249 HA LEU 37 HA LEU 37 9.264 -8.830 6.813 250 HB2 LEU 37 1HB LEU 37 9.267 -6.064 8.007 251 HB3 LEU 37 2HB LEU 37 10.624 -7.187 7.940 252 HG LEU 37 HG LEU 37 9.325 -5.951 5.515 253 HD11 LEU 37 1HD1 LEU 37 11.669 -5.088 7.176 254 HD12 LEU 37 2HD1 LEU 37 10.297 -4.134 6.613 255 HD13 LEU 37 3HD1 LEU 37 11.531 -4.661 5.470 256 HD21 LEU 37 3HD2 LEU 37 10.693 -8.201 5.504 257 HD22 LEU 37 1HD2 LEU 37 12.070 -7.100 5.582 258 HD23 LEU 37 2HD2 LEU 37 10.924 -6.985 4.246 259 H SER 38 H SER 38 7.069 -6.917 8.835 260 HA SER 38 HA SER 38 7.733 -7.912 11.327 261 HB2 SER 38 1HB SER 38 5.137 -6.925 10.172 262 HB3 SER 38 2HB SER 38 5.223 -7.500 11.836 263 HG SER 38 HG SER 38 5.827 -5.514 12.205 264 H GLN 39 H GLN 39 5.093 -9.105 9.242 265 HA GLN 39 HA GLN 39 5.230 -11.667 10.678 266 HB2 GLN 39 1HB GLN 39 3.052 -10.296 10.534 267 HB3 GLN 39 2HB GLN 39 2.990 -10.823 8.857 268 HG2 GLN 39 1HG GLN 39 2.806 -13.096 9.482 269 HG3 GLN 39 2HG GLN 39 3.203 -12.736 11.162 270 HE21 GLN 39 1HE2 GLN 39 1.465 -13.147 12.328 271 HE22 GLN 39 2HE2 GLN 39 -0.141 -12.619 11.975 272 HA PRO 40 HA PRO 40 6.996 -13.521 7.081 273 HB2 PRO 40 1HB PRO 40 6.535 -16.115 7.739 274 HB3 PRO 40 2HB PRO 40 7.794 -15.139 8.505 275 HG2 PRO 40 1HG PRO 40 5.049 -15.807 9.496 276 HG3 PRO 40 2HG PRO 40 6.585 -15.787 10.383 277 HD2 PRO 40 1HD PRO 40 4.792 -13.762 10.528 278 HD3 PRO 40 2HD PRO 40 6.543 -13.498 10.654 279 H GLY 41 H GLY 41 6.273 -14.074 5.098 280 HA2 GLY 41 1HA GLY 41 4.876 -14.933 3.458 281 HA3 GLY 41 2HA GLY 41 3.812 -15.529 4.722 282 H ASP 42 H ASP 42 2.944 -13.421 6.047 283 HA ASP 42 HA ASP 42 0.913 -12.338 4.603 284 HB2 ASP 42 1HB ASP 42 2.426 -11.200 6.948 285 HB3 ASP 42 2HB ASP 42 1.010 -10.396 6.274 286 H PHE 43 H PHE 43 0.513 -10.202 3.737 287 HA PHE 43 HA PHE 43 2.930 -8.981 2.574 288 HB2 PHE 43 1HB PHE 43 0.195 -9.192 1.297 289 HB3 PHE 43 2HB PHE 43 1.621 -8.455 0.576 290 HD1 PHE 43 1HD PHE 43 0.621 -11.698 2.130 291 HD2 PHE 43 2HD PHE 43 2.782 -9.707 -0.948 292 HE1 PHE 43 1HE PHE 43 1.252 -13.874 1.171 293 HE2 PHE 43 2HE PHE 43 3.418 -11.880 -1.913 294 HZ PHE 43 HZ PHE 43 2.652 -13.967 -0.853 295 H VAL 44 H VAL 44 2.492 -6.683 1.800 296 HA VAL 44 HA VAL 44 0.632 -5.280 3.591 297 HB VAL 44 HB VAL 44 3.560 -4.677 3.220 298 HG11 VAL 44 1HG1 VAL 44 2.821 -2.687 4.809 299 HG12 VAL 44 2HG1 VAL 44 2.819 -2.529 3.051 300 HG13 VAL 44 3HG1 VAL 44 1.314 -2.863 3.910 301 HG21 VAL 44 3HG2 VAL 44 2.272 -6.145 5.124 302 HG22 VAL 44 1HG2 VAL 44 3.822 -5.333 5.348 303 HG23 VAL 44 2HG2 VAL 44 2.332 -4.551 5.876 304 H LEU 45 H LEU 45 -0.344 -3.493 2.739 305 HA LEU 45 HA LEU 45 0.352 -2.820 -0.044 306 HB2 LEU 45 1HB LEU 45 -1.756 -3.877 -0.082 307 HB3 LEU 45 2HB LEU 45 -2.311 -2.987 1.334 308 HG LEU 45 HG LEU 45 -2.234 -0.905 -0.092 309 HD11 LEU 45 1HD1 LEU 45 -2.386 -1.320 -2.547 310 HD12 LEU 45 2HD1 LEU 45 -1.837 -2.968 -2.248 311 HD13 LEU 45 3HD1 LEU 45 -0.789 -1.606 -1.857 312 HD21 LEU 45 3HD2 LEU 45 -4.198 -2.790 0.268 313 HD22 LEU 45 1HD2 LEU 45 -4.174 -2.576 -1.483 314 HD23 LEU 45 2HD2 LEU 45 -4.424 -1.185 -0.429 315 H SER 46 H SER 46 1.212 -0.870 -0.233 316 HA SER 46 HA SER 46 0.463 1.201 1.719 317 HB2 SER 46 1HB SER 46 2.906 1.255 -0.050 318 HB3 SER 46 2HB SER 46 2.596 2.198 1.408 319 HG SER 46 HG SER 46 2.609 -0.591 1.607 320 H VAL 47 H VAL 47 -0.215 3.199 1.043 321 HA VAL 47 HA VAL 47 -0.326 3.759 -1.823 322 HB VAL 47 HB VAL 47 -2.768 3.735 -0.044 323 HG11 VAL 47 1HG1 VAL 47 -3.753 4.281 -2.472 324 HG12 VAL 47 2HG1 VAL 47 -3.303 5.535 -1.313 325 HG13 VAL 47 3HG1 VAL 47 -2.191 5.091 -2.608 326 HG21 VAL 47 3HG2 VAL 47 -1.997 1.548 -0.995 327 HG22 VAL 47 1HG2 VAL 47 -3.616 2.039 -1.489 328 HG23 VAL 47 2HG2 VAL 47 -2.260 2.225 -2.602 329 H LEU 48 H LEU 48 -0.164 5.891 -2.313 330 HA LEU 48 HA LEU 48 0.290 7.711 -0.076 331 HB2 LEU 48 1HB LEU 48 1.920 7.432 -1.989 332 HB3 LEU 48 2HB LEU 48 0.734 8.253 -3.002 333 HG LEU 48 HG LEU 48 0.915 10.233 -1.511 334 HD11 LEU 48 1HD1 LEU 48 2.999 8.514 -0.204 335 HD12 LEU 48 2HD1 LEU 48 1.647 9.367 0.539 336 HD13 LEU 48 3HD1 LEU 48 3.024 10.274 -0.086 337 HD21 LEU 48 3HD2 LEU 48 3.467 10.584 -2.178 338 HD22 LEU 48 1HD2 LEU 48 2.165 10.613 -3.369 339 HD23 LEU 48 2HD2 LEU 48 3.132 9.153 -3.154 340 H SER 49 H SER 49 -1.708 8.349 0.618 341 HA SER 49 HA SER 49 -3.940 8.917 -0.930 342 HB2 SER 49 1HB SER 49 -4.639 10.374 1.026 343 HB3 SER 49 2HB SER 49 -4.209 8.712 1.434 344 HG SER 49 HG SER 49 -1.978 9.913 1.657 345 H ASP 50 H ASP 50 -4.936 11.016 -1.388 346 HA ASP 50 HA ASP 50 -3.025 12.784 -2.646 347 HB2 ASP 50 1HB ASP 50 -4.951 12.315 -3.953 348 HB3 ASP 50 2HB ASP 50 -6.038 12.667 -2.612 349 H GLN 51 H GLN 51 -4.073 12.537 0.416 350 HA GLN 51 HA GLN 51 -4.468 15.381 0.909 351 HB2 GLN 51 1HB GLN 51 -4.682 12.921 2.626 352 HB3 GLN 51 2HB GLN 51 -4.686 14.534 3.329 353 HG2 GLN 51 1HG GLN 51 -6.626 15.079 1.847 354 HG3 GLN 51 2HG GLN 51 -6.674 13.376 1.396 355 HE21 GLN 51 1HE2 GLN 51 -8.727 13.107 2.258 356 HE22 GLN 51 2HE2 GLN 51 -9.013 13.057 3.961 357 HA PRO 52 HA PRO 52 -0.068 15.760 1.628 358 HB2 PRO 52 1HB PRO 52 -0.117 18.440 2.055 359 HB3 PRO 52 2HB PRO 52 -0.188 17.723 0.442 360 HG2 PRO 52 1HG PRO 52 -2.414 18.772 2.146 361 HG3 PRO 52 2HG PRO 52 -2.138 18.988 0.408 362 HD2 PRO 52 1HD PRO 52 -3.904 17.185 1.390 363 HD3 PRO 52 2HD PRO 52 -3.001 16.915 -0.114 364 H LYS 53 H LYS 53 1.240 16.045 3.425 365 HA LYS 53 HA LYS 53 0.148 15.555 5.943 366 HB2 LYS 53 1HB LYS 53 2.834 16.400 4.952 367 HB3 LYS 53 2HB LYS 53 2.517 16.481 6.679 368 HG2 LYS 53 1HG LYS 53 1.702 14.030 6.371 369 HG3 LYS 53 2HG LYS 53 2.661 14.099 4.891 370 HD2 LYS 53 1HD LYS 53 4.239 13.336 6.369 371 HD3 LYS 53 2HD LYS 53 4.488 15.077 6.513 372 HE2 LYS 53 1HE LYS 53 2.917 15.047 8.463 373 HE3 LYS 53 2HE LYS 53 2.924 13.287 8.366 374 HZ1 LYS 53 3HZ LYS 53 4.645 14.760 9.823 375 HZ2 LYS 53 1HZ LYS 53 5.550 14.470 8.423 376 HZ3 LYS 53 2HZ LYS 53 4.930 13.173 9.312 377 H ALA 54 H ALA 54 1.185 18.586 4.450 378 HA ALA 54 HA ALA 54 -0.192 20.027 6.618 379 HB1 ALA 54 1HB ALA 54 1.766 20.913 7.193 380 HB2 ALA 54 2HB ALA 54 2.566 20.243 5.771 381 HB3 ALA 54 3HB ALA 54 1.725 21.789 5.662 382 H GLY 55 H GLY 55 0.957 20.188 3.260 383 HA2 GLY 55 1HA GLY 55 -1.459 21.044 2.176 384 HA3 GLY 55 2HA GLY 55 -0.536 22.490 2.555 385 HA PRO 56 HA PRO 56 0.700 21.478 -1.710 386 HB2 PRO 56 1HB PRO 56 1.250 24.052 -2.378 387 HB3 PRO 56 2HB PRO 56 -0.382 23.376 -2.421 388 HG2 PRO 56 1HG PRO 56 0.914 25.064 -0.316 389 HG3 PRO 56 2HG PRO 56 -0.724 25.173 -0.984 390 HD2 PRO 56 1HD PRO 56 -0.199 23.996 1.397 391 HD3 PRO 56 2HD PRO 56 -1.513 23.454 0.333 392 H GLY 57 H GLY 57 2.589 20.389 -0.982 393 HA2 GLY 57 1HA GLY 57 5.000 21.052 -1.741 394 HA3 GLY 57 2HA GLY 57 4.899 22.068 -0.311 395 H SER 58 H SER 58 3.310 20.091 1.169 396 HA SER 58 HA SER 58 5.508 18.592 2.243 397 HB2 SER 58 1HB SER 58 3.826 17.741 3.855 398 HB3 SER 58 2HB SER 58 3.813 19.501 3.741 399 HG SER 58 HG SER 58 2.101 18.876 1.992 400 HA PRO 59 HA PRO 59 5.057 14.789 0.097 401 HB2 PRO 59 1HB PRO 59 5.764 13.015 2.026 402 HB3 PRO 59 2HB PRO 59 6.929 14.074 1.222 403 HG2 PRO 59 1HG PRO 59 5.608 14.391 3.889 404 HG3 PRO 59 2HG PRO 59 7.299 14.674 3.438 405 HD2 PRO 59 1HD PRO 59 5.507 16.686 3.703 406 HD3 PRO 59 2HD PRO 59 6.844 16.745 2.538 407 H LEU 60 H LEU 60 3.084 14.094 -0.458 408 HA LEU 60 HA LEU 60 0.773 13.969 0.890 409 HB2 LEU 60 1HB LEU 60 1.889 12.068 -1.139 410 HB3 LEU 60 2HB LEU 60 0.270 11.845 -0.482 411 HG LEU 60 HG LEU 60 1.244 14.244 -2.033 412 HD11 LEU 60 1HD1 LEU 60 -0.525 13.403 -3.646 413 HD12 LEU 60 2HD1 LEU 60 -0.480 11.889 -2.745 414 HD13 LEU 60 3HD1 LEU 60 0.972 12.475 -3.557 415 HD21 LEU 60 3HD2 LEU 60 -1.306 14.681 -2.022 416 HD22 LEU 60 1HD2 LEU 60 -0.355 15.123 -0.604 417 HD23 LEU 60 2HD2 LEU 60 -1.312 13.641 -0.596 418 H ARG 61 H ARG 61 -0.376 12.502 2.175 419 HA ARG 61 HA ARG 61 1.204 11.102 4.094 420 HB2 ARG 61 1HB ARG 61 -1.160 12.278 4.290 421 HB3 ARG 61 2HB ARG 61 -1.741 10.669 3.884 422 HG2 ARG 61 1HG ARG 61 -1.733 10.507 6.147 423 HG3 ARG 61 2HG ARG 61 -0.085 9.969 5.816 424 HD2 ARG 61 1HD ARG 61 0.650 12.346 6.143 425 HD3 ARG 61 2HD ARG 61 -0.985 12.707 6.694 426 HE ARG 61 HE ARG 61 -0.485 11.721 8.695 427 HH11 ARG 61 2HH1 ARG 61 1.880 10.750 6.332 428 HH12 ARG 61 1HH1 ARG 61 2.894 9.947 7.485 429 HH21 ARG 61 2HH2 ARG 61 0.842 10.667 10.223 430 HH22 ARG 61 1HH2 ARG 61 2.302 9.900 9.697 431 H VAL 62 H VAL 62 1.357 8.899 4.480 432 HA VAL 62 HA VAL 62 0.632 7.190 2.195 433 HB VAL 62 HB VAL 62 2.682 6.486 4.281 434 HG11 VAL 62 1HG1 VAL 62 3.511 5.359 1.991 435 HG12 VAL 62 2HG1 VAL 62 2.402 4.569 3.114 436 HG13 VAL 62 3HG1 VAL 62 1.774 5.400 1.689 437 HG21 VAL 62 3HG2 VAL 62 2.874 8.458 2.114 438 HG22 VAL 62 1HG2 VAL 62 3.858 8.263 3.563 439 HG23 VAL 62 2HG2 VAL 62 4.170 7.263 2.144 440 H THR 63 H THR 63 -0.471 5.301 2.502 441 HA THR 63 HA THR 63 -1.480 4.814 5.229 442 HB THR 63 HB THR 63 -2.859 4.241 2.598 443 HG1 THR 63 1HG THR 63 -3.026 6.312 4.490 444 HG21 THR 63 3HG2 THR 63 -3.886 3.909 5.418 445 HG22 THR 63 1HG2 THR 63 -3.363 2.588 4.374 446 HG23 THR 63 2HG2 THR 63 -4.765 3.562 3.929 447 H HIS 64 H HIS 64 -0.483 3.109 6.082 448 HA HIS 64 HA HIS 64 0.327 0.892 4.351 449 HB2 HIS 64 1HB HIS 64 0.972 1.236 7.278 450 HB3 HIS 64 2HB HIS 64 1.785 0.202 6.107 451 HD1 HIS 64 1HD HIS 64 3.464 1.331 4.491 452 HD2 HIS 64 2HD HIS 64 1.756 3.917 7.258 453 HE1 HIS 64 1HE HIS 64 4.845 3.429 4.391 454 HE2 HIS 64 2HE HIS 64 3.846 4.948 6.134 455 H ILE 65 H ILE 65 -1.150 -0.645 4.083 456 HA ILE 65 HA ILE 65 -2.821 -1.402 6.390 457 HB ILE 65 HB ILE 65 -3.441 -1.763 3.456 458 HG12 ILE 65 1HG1 ILE 65 -5.037 -0.025 5.287 459 HG13 ILE 65 2HG1 ILE 65 -3.514 0.597 4.662 460 HG21 ILE 65 1HG2 ILE 65 -4.326 -3.467 5.142 461 HG22 ILE 65 2HG2 ILE 65 -5.332 -2.154 5.753 462 HG23 ILE 65 3HG2 ILE 65 -5.500 -2.688 4.081 463 HD11 ILE 65 3HD1 ILE 65 -5.542 -0.559 2.803 464 HD12 ILE 65 1HD1 ILE 65 -5.706 1.093 3.398 465 HD13 ILE 65 2HD1 ILE 65 -4.274 0.624 2.484 466 H LYS 66 H LYS 66 -2.895 -3.496 7.032 467 HA LYS 66 HA LYS 66 -0.817 -5.247 6.113 468 HB2 LYS 66 1HB LYS 66 -2.978 -5.476 8.194 469 HB3 LYS 66 2HB LYS 66 -1.955 -6.846 7.783 470 HG2 LYS 66 1HG LYS 66 -0.775 -6.008 9.530 471 HG3 LYS 66 2HG LYS 66 -0.033 -5.087 8.220 472 HD2 LYS 66 1HD LYS 66 -0.493 -3.379 9.661 473 HD3 LYS 66 2HD LYS 66 -2.016 -3.417 8.769 474 HE2 LYS 66 1HE LYS 66 -1.573 -4.961 11.314 475 HE3 LYS 66 2HE LYS 66 -2.185 -3.307 11.296 476 HZ1 LYS 66 3HZ LYS 66 -3.455 -5.710 10.109 477 HZ2 LYS 66 1HZ LYS 66 -3.986 -4.133 9.805 478 HZ3 LYS 66 2HZ LYS 66 -4.040 -4.754 11.376 479 H VAL 67 H VAL 67 -1.037 -7.256 5.114 480 HA VAL 67 HA VAL 67 -3.653 -7.759 3.850 481 HB VAL 67 HB VAL 67 -0.920 -8.148 2.620 482 HG11 VAL 67 1HG1 VAL 67 -2.642 -8.520 0.588 483 HG12 VAL 67 2HG1 VAL 67 -1.996 -9.836 1.570 484 HG13 VAL 67 3HG1 VAL 67 -3.595 -9.178 1.918 485 HG21 VAL 67 3HG2 VAL 67 -2.264 -5.824 2.805 486 HG22 VAL 67 1HG2 VAL 67 -1.227 -6.244 1.442 487 HG23 VAL 67 2HG2 VAL 67 -2.972 -6.469 1.324 488 H MET 68 H MET 68 -4.342 -9.363 5.215 489 HA MET 68 HA MET 68 -2.650 -11.510 6.055 490 HB2 MET 68 1HB MET 68 -5.554 -10.855 6.321 491 HB3 MET 68 2HB MET 68 -5.021 -12.496 6.656 492 HG2 MET 68 1HG MET 68 -3.583 -11.755 8.401 493 HG3 MET 68 2HG MET 68 -3.838 -10.065 7.968 494 HE1 MET 68 3HE MET 68 -7.165 -9.095 9.064 495 HE2 MET 68 1HE MET 68 -6.157 -9.209 7.621 496 HE3 MET 68 2HE MET 68 -7.537 -10.289 7.821 497 H CYS 69 H CYS 69 -3.215 -13.815 5.628 498 HA CYS 69 HA CYS 69 -4.100 -14.189 2.843 499 HB2 CYS 69 1HB CYS 69 -1.647 -14.465 3.102 500 HB3 CYS 69 2HB CYS 69 -1.937 -15.743 4.276 501 HG CYS 69 HG CYS 69 -3.641 -16.613 1.690 502 H GLU 70 H GLU 70 -5.938 -15.284 2.774 503 HA GLU 70 HA GLU 70 -6.768 -16.937 4.999 504 HB2 GLU 70 1HB GLU 70 -8.051 -15.839 2.550 505 HB3 GLU 70 2HB GLU 70 -8.739 -17.307 3.231 506 HG2 GLU 70 1HG GLU 70 -8.353 -14.695 4.676 507 HG3 GLU 70 2HG GLU 70 -9.878 -15.334 4.065 508 H GLY 71 H GLY 71 -4.952 -18.465 4.671 509 HA2 GLY 71 1HA GLY 71 -3.990 -20.367 3.754 510 HA3 GLY 71 2HA GLY 71 -5.652 -20.929 3.853 511 H GLY 72 H GLY 72 -3.573 -18.951 1.732 512 HA2 GLY 72 1HA GLY 72 -3.166 -19.796 -0.535 513 HA3 GLY 72 2HA GLY 72 -4.844 -20.318 -0.559 514 H ARG 73 H ARG 73 -6.049 -18.024 0.512 515 HA ARG 73 HA ARG 73 -5.708 -16.189 -1.750 516 HB2 ARG 73 1HB ARG 73 -8.006 -16.385 0.205 517 HB3 ARG 73 2HB ARG 73 -7.954 -15.402 -1.252 518 HG2 ARG 73 1HG ARG 73 -9.133 -17.159 -2.056 519 HG3 ARG 73 2HG ARG 73 -7.504 -17.761 -2.374 520 HD2 ARG 73 1HD ARG 73 -7.591 -18.910 -0.151 521 HD3 ARG 73 2HD ARG 73 -9.289 -18.444 -0.045 522 HE ARG 73 HE ARG 73 -9.160 -19.719 -2.419 523 HH11 ARG 73 2HH1 ARG 73 -8.113 -20.563 0.792 524 HH12 ARG 73 1HH1 ARG 73 -8.337 -22.266 0.558 525 HH21 ARG 73 2HH2 ARG 73 -9.460 -21.958 -2.738 526 HH22 ARG 73 1HH2 ARG 73 -9.103 -23.058 -1.451 527 H TYR 74 H TYR 74 -6.564 -13.852 -1.016 528 HA TYR 74 HA TYR 74 -5.079 -13.114 1.419 529 HB2 TYR 74 1HB TYR 74 -5.092 -11.699 -1.251 530 HB3 TYR 74 2HB TYR 74 -4.442 -10.998 0.227 531 HD1 TYR 74 1HD TYR 74 -2.980 -13.161 1.460 532 HD2 TYR 74 2HD TYR 74 -3.320 -12.164 -2.663 533 HE1 TYR 74 1HE TYR 74 -0.815 -14.244 1.026 534 HE2 TYR 74 2HE TYR 74 -1.156 -13.245 -3.108 535 HH TYR 74 HH TYR 74 0.244 -15.095 -1.983 536 H THR 75 H THR 75 -5.877 -11.363 2.606 537 HA THR 75 HA THR 75 -8.326 -10.061 1.745 538 HB THR 75 HB THR 75 -9.006 -12.214 2.896 539 HG1 THR 75 1HG THR 75 -9.887 -9.938 4.336 540 HG21 THR 75 3HG2 THR 75 -8.614 -11.023 5.543 541 HG22 THR 75 1HG2 THR 75 -7.118 -11.515 4.750 542 HG23 THR 75 2HG2 THR 75 -8.405 -12.691 5.009 543 H VAL 76 H VAL 76 -9.057 -8.433 3.414 544 HA VAL 76 HA VAL 76 -6.776 -7.401 4.964 545 HB VAL 76 HB VAL 76 -7.538 -5.090 4.373 546 HG11 VAL 76 1HG1 VAL 76 -5.640 -6.339 3.261 547 HG12 VAL 76 2HG1 VAL 76 -6.753 -6.662 1.932 548 HG13 VAL 76 3HG1 VAL 76 -6.329 -5.001 2.344 549 HG21 VAL 76 3HG2 VAL 76 -8.805 -5.180 2.043 550 HG22 VAL 76 1HG2 VAL 76 -9.445 -6.669 2.738 551 HG23 VAL 76 2HG2 VAL 76 -9.674 -5.135 3.577 552 H GLY 77 H GLY 77 -7.689 -8.239 6.873 553 HA2 GLY 77 1HA GLY 77 -8.838 -7.922 8.849 554 HA3 GLY 77 2HA GLY 77 -9.558 -6.483 8.144 555 H GLY 78 H GLY 78 -11.136 -7.133 6.231 556 HA2 GLY 78 1HA GLY 78 -13.358 -8.348 7.400 557 HA3 GLY 78 2HA GLY 78 -13.159 -8.064 5.677 558 H LEU 79 H LEU 79 -14.508 -10.143 5.835 559 HA LEU 79 HA LEU 79 -12.865 -12.519 6.261 560 HB2 LEU 79 1HB LEU 79 -15.798 -12.140 5.702 561 HB3 LEU 79 2HB LEU 79 -15.024 -13.721 5.793 562 HG LEU 79 HG LEU 79 -15.002 -11.758 8.076 563 HD11 LEU 79 1HD1 LEU 79 -16.774 -13.448 8.961 564 HD12 LEU 79 2HD1 LEU 79 -17.070 -13.746 7.248 565 HD13 LEU 79 3HD1 LEU 79 -17.269 -12.122 7.907 566 HD21 LEU 79 3HD2 LEU 79 -13.394 -13.282 8.604 567 HD22 LEU 79 1HD2 LEU 79 -14.127 -14.562 7.638 568 HD23 LEU 79 2HD2 LEU 79 -14.807 -14.145 9.211 569 H GLU 80 H GLU 80 -14.069 -10.538 3.724 570 HA GLU 80 HA GLU 80 -14.337 -12.201 1.571 571 HB2 GLU 80 1HB GLU 80 -13.328 -9.416 1.890 572 HB3 GLU 80 2HB GLU 80 -13.100 -10.198 0.332 573 HG2 GLU 80 1HG GLU 80 -15.653 -10.754 0.608 574 HG3 GLU 80 2HG GLU 80 -15.607 -9.362 1.689 575 H THR 81 H THR 81 -12.749 -12.431 -0.297 576 HA THR 81 HA THR 81 -9.966 -12.689 0.457 577 HB THR 81 HB THR 81 -9.790 -15.065 -0.106 578 HG1 THR 81 1HG THR 81 -11.711 -15.117 -1.452 579 HG21 THR 81 3HG2 THR 81 -10.309 -14.233 2.256 580 HG22 THR 81 1HG2 THR 81 -10.602 -15.939 1.924 581 HG23 THR 81 2HG2 THR 81 -11.952 -14.805 1.969 582 H PHE 82 H PHE 82 -8.590 -13.269 -1.368 583 HA PHE 82 HA PHE 82 -9.844 -13.035 -4.000 584 HB2 PHE 82 1HB PHE 82 -7.518 -11.306 -3.136 585 HB3 PHE 82 2HB PHE 82 -8.295 -11.302 -4.716 586 HD1 PHE 82 2HD PHE 82 -8.742 -10.459 -1.157 587 HD2 PHE 82 1HD PHE 82 -10.284 -10.082 -5.106 588 HE1 PHE 82 2HE PHE 82 -10.305 -8.727 -0.377 589 HE2 PHE 82 1HE PHE 82 -11.849 -8.348 -4.333 590 HZ PHE 82 HZ PHE 82 -11.862 -7.669 -1.966 591 H ASP 83 H ASP 83 -8.676 -13.960 -5.685 592 HA ASP 83 HA ASP 83 -7.240 -16.229 -5.235 593 HB2 ASP 83 1HB ASP 83 -7.033 -14.328 -7.575 594 HB3 ASP 83 2HB ASP 83 -6.324 -15.941 -7.560 595 H SER 84 H SER 84 -5.892 -12.990 -5.791 596 HA SER 84 HA SER 84 -3.649 -13.512 -4.107 597 HB2 SER 84 1HB SER 84 -1.923 -13.185 -5.918 598 HB3 SER 84 2HB SER 84 -2.775 -14.728 -5.983 599 HG SER 84 HG SER 84 -2.848 -12.579 -7.732 600 H LEU 85 H LEU 85 -1.902 -11.635 -4.676 601 HA LEU 85 HA LEU 85 -3.016 -9.252 -3.873 602 HB2 LEU 85 1HB LEU 85 -0.470 -10.017 -5.185 603 HB3 LEU 85 2HB LEU 85 -0.883 -8.305 -5.160 604 HG LEU 85 HG LEU 85 0.547 -8.730 -3.308 605 HD11 LEU 85 1HD1 LEU 85 -1.862 -7.543 -3.054 606 HD12 LEU 85 2HD1 LEU 85 -0.653 -7.607 -1.772 607 HD13 LEU 85 3HD1 LEU 85 -1.975 -8.773 -1.795 608 HD21 LEU 85 3HD2 LEU 85 -0.026 -11.234 -3.323 609 HD22 LEU 85 1HD2 LEU 85 -1.341 -10.796 -2.232 610 HD23 LEU 85 2HD2 LEU 85 0.332 -10.472 -1.773 611 H THR 86 H THR 86 -2.690 -10.529 -7.111 612 HA THR 86 HA THR 86 -3.209 -8.146 -8.535 613 HB THR 86 HB THR 86 -3.762 -11.004 -9.356 614 HG1 THR 86 1HG THR 86 -1.488 -9.359 -9.391 615 HG21 THR 86 3HG2 THR 86 -4.781 -10.085 -11.121 616 HG22 THR 86 1HG2 THR 86 -3.194 -9.494 -11.612 617 HG23 THR 86 2HG2 THR 86 -4.266 -8.462 -10.665 618 H ASP 87 H ASP 87 -5.382 -10.876 -7.780 619 HA ASP 87 HA ASP 87 -7.722 -9.618 -8.715 620 HB2 ASP 87 1HB ASP 87 -7.372 -12.096 -8.255 621 HB3 ASP 87 2HB ASP 87 -7.625 -11.721 -6.552 622 H LEU 88 H LEU 88 -6.130 -9.635 -5.584 623 HA LEU 88 HA LEU 88 -8.239 -8.455 -4.111 624 HB2 LEU 88 1HB LEU 88 -6.411 -9.634 -3.033 625 HB3 LEU 88 2HB LEU 88 -5.264 -8.435 -3.626 626 HG LEU 88 HG LEU 88 -7.495 -7.513 -1.884 627 HD11 LEU 88 1HD1 LEU 88 -5.280 -8.116 -0.231 628 HD12 LEU 88 2HD1 LEU 88 -5.711 -9.586 -1.103 629 HD13 LEU 88 3HD1 LEU 88 -6.924 -8.747 -0.136 630 HD21 LEU 88 3HD2 LEU 88 -6.135 -5.783 -2.670 631 HD22 LEU 88 1HD2 LEU 88 -4.657 -6.720 -2.449 632 HD23 LEU 88 2HD2 LEU 88 -5.527 -6.103 -1.045 633 H VAL 89 H VAL 89 -5.167 -6.982 -5.181 634 HA VAL 89 HA VAL 89 -5.827 -4.345 -4.621 635 HB VAL 89 HB VAL 89 -4.052 -5.344 -6.853 636 HG11 VAL 89 1HG1 VAL 89 -4.893 -2.869 -6.765 637 HG12 VAL 89 2HG1 VAL 89 -3.702 -2.722 -5.471 638 HG13 VAL 89 3HG1 VAL 89 -3.196 -3.222 -7.086 639 HG21 VAL 89 3HG2 VAL 89 -2.800 -4.311 -4.428 640 HG22 VAL 89 1HG2 VAL 89 -3.754 -5.771 -4.160 641 HG23 VAL 89 2HG2 VAL 89 -2.452 -5.775 -5.349 642 H GLU 90 H GLU 90 -6.023 -5.987 -7.784 643 HA GLU 90 HA GLU 90 -7.059 -4.025 -9.344 644 HB2 GLU 90 1HB GLU 90 -7.556 -6.974 -9.260 645 HB3 GLU 90 2HB GLU 90 -8.484 -5.981 -10.375 646 HG2 GLU 90 1HG GLU 90 -6.083 -5.077 -11.003 647 HG3 GLU 90 2HG GLU 90 -5.596 -6.652 -10.380 648 H HIS 91 H HIS 91 -9.124 -6.339 -7.576 649 HA HIS 91 HA HIS 91 -11.553 -5.098 -8.044 650 HB2 HIS 91 1HB HIS 91 -11.480 -7.307 -7.089 651 HB3 HIS 91 2HB HIS 91 -10.637 -6.714 -5.660 652 HD1 HIS 91 1HD HIS 91 -13.945 -7.483 -6.897 653 HD2 HIS 91 2HD HIS 91 -12.344 -4.902 -4.065 654 HE1 HIS 91 1HE HIS 91 -15.872 -6.825 -5.421 655 HE2 HIS 91 2HE HIS 91 -14.896 -5.196 -3.768 656 H PHE 92 H PHE 92 -8.988 -4.153 -5.950 657 HA PHE 92 HA PHE 92 -10.682 -2.304 -4.459 658 HB2 PHE 92 1HB PHE 92 -7.947 -3.406 -4.126 659 HB3 PHE 92 2HB PHE 92 -8.217 -1.774 -3.524 660 HD1 PHE 92 2HD PHE 92 -10.917 -1.876 -2.484 661 HD2 PHE 92 1HD PHE 92 -7.827 -4.797 -2.296 662 HE1 PHE 92 2HE PHE 92 -11.918 -2.799 -0.435 663 HE2 PHE 92 1HE PHE 92 -8.824 -5.725 -0.246 664 HZ PHE 92 HZ PHE 92 -10.872 -4.725 0.687 665 H LYS 93 H LYS 93 -8.714 -2.360 -7.222 666 HA LYS 93 HA LYS 93 -7.835 0.362 -7.165 667 HB2 LYS 93 1HB LYS 93 -8.036 -1.616 -9.442 668 HB3 LYS 93 2HB LYS 93 -7.268 -0.039 -9.558 669 HG2 LYS 93 1HG LYS 93 -5.901 -0.963 -7.486 670 HG3 LYS 93 2HG LYS 93 -6.339 -2.511 -8.213 671 HD2 LYS 93 1HD LYS 93 -5.214 -0.344 -9.934 672 HD3 LYS 93 2HD LYS 93 -4.130 -1.296 -8.916 673 HE2 LYS 93 1HE LYS 93 -4.916 -3.343 -9.956 674 HE3 LYS 93 2HE LYS 93 -6.076 -2.433 -10.922 675 HZ1 LYS 93 3HZ LYS 93 -3.144 -2.548 -11.174 676 HZ2 LYS 93 1HZ LYS 93 -3.987 -1.197 -11.745 677 HZ3 LYS 93 2HZ LYS 93 -4.327 -2.732 -12.369 678 H LYS 94 H LYS 94 -10.758 -1.221 -8.007 679 HA LYS 94 HA LYS 94 -11.719 1.160 -9.442 680 HB2 LYS 94 1HB LYS 94 -13.653 -0.387 -10.059 681 HB3 LYS 94 2HB LYS 94 -12.091 -0.740 -10.786 682 HG2 LYS 94 1HG LYS 94 -11.718 -2.482 -9.094 683 HG3 LYS 94 2HG LYS 94 -13.315 -2.148 -8.421 684 HD2 LYS 94 1HD LYS 94 -14.098 -2.564 -10.891 685 HD3 LYS 94 2HD LYS 94 -12.570 -3.441 -11.008 686 HE2 LYS 94 1HE LYS 94 -13.213 -5.021 -9.440 687 HE3 LYS 94 2HE LYS 94 -14.429 -3.964 -8.724 688 HZ1 LYS 94 3HZ LYS 94 -14.872 -5.948 -10.559 689 HZ2 LYS 94 1HZ LYS 94 -14.993 -4.522 -11.463 690 HZ3 LYS 94 2HZ LYS 94 -15.968 -4.745 -10.099 691 H THR 95 H THR 95 -12.335 -0.953 -6.706 692 HA THR 95 HA THR 95 -14.736 0.475 -5.941 693 HB THR 95 HB THR 95 -14.817 -1.034 -4.024 694 HG1 THR 95 1HG THR 95 -13.135 -2.662 -3.880 695 HG21 THR 95 3HG2 THR 95 -14.457 -2.081 -6.777 696 HG22 THR 95 1HG2 THR 95 -15.866 -2.140 -5.719 697 HG23 THR 95 2HG2 THR 95 -14.526 -3.258 -5.465 698 H GLY 96 H GLY 96 -11.717 -0.262 -4.178 699 HA2 GLY 96 1HA GLY 96 -10.354 1.574 -3.319 700 HA3 GLY 96 2HA GLY 96 -11.844 2.467 -3.055 701 H ILE 97 H ILE 97 -9.671 1.732 -1.191 702 HA ILE 97 HA ILE 97 -10.990 -0.124 0.633 703 HB ILE 97 HB ILE 97 -8.314 1.257 0.874 704 HG12 ILE 97 1HG1 ILE 97 -8.690 -1.681 0.435 705 HG13 ILE 97 2HG1 ILE 97 -8.797 -0.587 -0.939 706 HG21 ILE 97 1HG2 ILE 97 -7.889 -0.047 2.782 707 HG22 ILE 97 2HG2 ILE 97 -9.515 0.592 3.014 708 HG23 ILE 97 3HG2 ILE 97 -9.290 -1.077 2.494 709 HD11 ILE 97 3HD1 ILE 97 -6.541 0.280 -0.306 710 HD12 ILE 97 1HD1 ILE 97 -6.448 -1.021 0.879 711 HD13 ILE 97 2HD1 ILE 97 -6.576 -1.400 -0.839 712 H GLU 98 H GLU 98 -11.809 0.425 2.610 713 HA GLU 98 HA GLU 98 -11.991 3.310 3.177 714 HB2 GLU 98 1HB GLU 98 -14.168 2.471 2.675 715 HB3 GLU 98 2HB GLU 98 -13.937 1.068 3.709 716 HG2 GLU 98 1HG GLU 98 -14.107 2.361 5.671 717 HG3 GLU 98 2HG GLU 98 -13.959 3.872 4.777 718 H GLU 99 H GLU 99 -10.795 3.928 4.843 719 HA GLU 99 HA GLU 99 -9.802 2.033 6.768 720 HB2 GLU 99 1HB GLU 99 -9.466 5.013 6.443 721 HB3 GLU 99 2HB GLU 99 -8.766 4.121 7.787 722 HG2 GLU 99 1HG GLU 99 -7.339 2.900 6.374 723 HG3 GLU 99 2HG GLU 99 -8.226 3.385 4.930 724 H ALA 100 H ALA 100 -10.301 1.887 8.929 725 HA ALA 100 HA ALA 100 -12.835 2.091 9.828 726 HB1 ALA 100 1HB ALA 100 -11.241 2.774 12.062 727 HB2 ALA 100 2HB ALA 100 -11.868 1.189 11.609 728 HB3 ALA 100 3HB ALA 100 -10.284 1.709 11.033 729 H SER 101 H SER 101 -10.367 4.578 10.524 730 HA SER 101 HA SER 101 -11.923 6.439 11.784 731 HB2 SER 101 1HB SER 101 -10.287 8.065 11.232 732 HB3 SER 101 2HB SER 101 -9.416 6.532 11.284 733 HG SER 101 HG SER 101 -10.016 8.169 9.120 734 H GLY 102 H GLY 102 -11.807 5.700 8.364 735 HA2 GLY 102 1HA GLY 102 -14.094 6.201 7.346 736 HA3 GLY 102 2HA GLY 102 -13.761 7.851 7.852 737 H ALA 103 H ALA 103 -10.958 7.799 7.204 738 HA ALA 103 HA ALA 103 -10.837 8.889 4.746 739 HB1 ALA 103 1HB ALA 103 -8.489 7.364 4.864 740 HB2 ALA 103 2HB ALA 103 -8.719 9.030 5.394 741 HB3 ALA 103 3HB ALA 103 -8.933 7.704 6.536 742 H PHE 104 H PHE 104 -10.267 8.183 2.629 743 HA PHE 104 HA PHE 104 -10.855 5.352 2.082 744 HB2 PHE 104 1HB PHE 104 -12.105 7.796 0.951 745 HB3 PHE 104 2HB PHE 104 -11.770 6.485 -0.175 746 HD1 PHE 104 1HD PHE 104 -13.711 7.515 2.752 747 HD2 PHE 104 2HD PHE 104 -12.965 4.402 -0.055 748 HE1 PHE 104 1HE PHE 104 -15.769 6.377 3.474 749 HE2 PHE 104 2HE PHE 104 -15.024 3.260 0.662 750 HZ PHE 104 HZ PHE 104 -16.428 4.247 2.427 751 H VAL 105 H VAL 105 -9.177 4.398 1.160 752 HA VAL 105 HA VAL 105 -7.132 5.994 -0.161 753 HB VAL 105 HB VAL 105 -7.226 3.078 0.608 754 HG11 VAL 105 1HG1 VAL 105 -4.770 3.141 -0.036 755 HG12 VAL 105 2HG1 VAL 105 -5.934 3.108 -1.362 756 HG13 VAL 105 3HG1 VAL 105 -5.146 4.622 -0.916 757 HG21 VAL 105 3HG2 VAL 105 -5.870 5.513 1.711 758 HG22 VAL 105 1HG2 VAL 105 -6.860 4.316 2.547 759 HG23 VAL 105 2HG2 VAL 105 -5.230 3.899 2.016 760 H TYR 106 H TYR 106 -6.683 5.967 -2.298 761 HA TYR 106 HA TYR 106 -8.321 4.205 -4.000 762 HB2 TYR 106 1HB TYR 106 -7.421 7.019 -4.647 763 HB3 TYR 106 2HB TYR 106 -8.423 5.986 -5.660 764 HD1 TYR 106 1HD TYR 106 -10.311 4.880 -3.682 765 HD2 TYR 106 2HD TYR 106 -8.791 8.829 -4.116 766 HE1 TYR 106 1HE TYR 106 -12.331 5.770 -2.598 767 HE2 TYR 106 2HE TYR 106 -10.806 9.730 -3.032 768 HH TYR 106 HH TYR 106 -12.595 8.630 -1.268 769 H LEU 107 H LEU 107 -7.329 3.167 -5.666 770 HA LEU 107 HA LEU 107 -4.421 3.565 -5.918 771 HB2 LEU 107 1HB LEU 107 -5.866 1.013 -6.556 772 HB3 LEU 107 2HB LEU 107 -4.138 1.261 -6.310 773 HG LEU 107 HG LEU 107 -4.980 1.932 -3.875 774 HD11 LEU 107 1HD1 LEU 107 -7.220 1.640 -3.806 775 HD12 LEU 107 2HD1 LEU 107 -6.754 -0.029 -3.481 776 HD13 LEU 107 3HD1 LEU 107 -7.220 0.453 -5.112 777 HD21 LEU 107 3HD2 LEU 107 -3.726 -0.257 -5.068 778 HD22 LEU 107 1HD2 LEU 107 -4.970 -0.946 -4.025 779 HD23 LEU 107 2HD2 LEU 107 -3.762 0.149 -3.352 780 H ARG 108 H ARG 108 -4.636 5.084 -7.595 781 HA ARG 108 HA ARG 108 -6.062 4.385 -10.006 782 HB2 ARG 108 1HB ARG 108 -4.214 6.706 -9.421 783 HB3 ARG 108 2HB ARG 108 -5.211 6.534 -10.859 784 HG2 ARG 108 1HG ARG 108 -7.131 6.320 -9.046 785 HG3 ARG 108 2HG ARG 108 -5.977 7.251 -8.089 786 HD2 ARG 108 1HD ARG 108 -7.481 8.755 -9.233 787 HD3 ARG 108 2HD ARG 108 -5.860 8.914 -9.907 788 HE ARG 108 HE ARG 108 -7.008 7.122 -11.556 789 HH11 ARG 108 2HH1 ARG 108 -8.021 10.242 -10.389 790 HH12 ARG 108 1HH1 ARG 108 -8.934 10.623 -11.811 791 HH21 ARG 108 2HH2 ARG 108 -8.208 7.613 -13.434 792 HH22 ARG 108 1HH2 ARG 108 -9.041 9.126 -13.541 793 H GLN 109 H GLN 109 -2.653 4.943 -9.139 794 HA GLN 109 HA GLN 109 -1.878 3.053 -11.235 795 HB2 GLN 109 1HB GLN 109 -0.150 4.509 -12.086 796 HB3 GLN 109 2HB GLN 109 -1.697 5.339 -12.178 797 HG2 GLN 109 1HG GLN 109 0.032 5.761 -9.793 798 HG3 GLN 109 2HG GLN 109 0.436 6.567 -11.307 799 HE21 GLN 109 1HE2 GLN 109 -0.083 8.182 -9.304 800 HE22 GLN 109 2HE2 GLN 109 -1.648 8.901 -9.435 801 HA PRO 110 HA PRO 110 0.757 1.492 -8.074 802 HB2 PRO 110 1HB PRO 110 2.519 0.127 -9.625 803 HB3 PRO 110 2HB PRO 110 0.868 -0.431 -9.327 804 HG2 PRO 110 1HG PRO 110 1.978 1.022 -11.698 805 HG3 PRO 110 2HG PRO 110 0.856 -0.350 -11.651 806 HD2 PRO 110 1HD PRO 110 0.027 2.197 -12.045 807 HD3 PRO 110 2HD PRO 110 -0.964 0.991 -11.199 808 H TYR 111 H TYR 111 3.429 1.011 -8.193 809 HA TYR 111 HA TYR 111 4.703 3.551 -8.923 810 HB2 TYR 111 1HB TYR 111 4.113 3.733 -6.555 811 HB3 TYR 111 2HB TYR 111 4.936 2.213 -6.218 812 HD1 TYR 111 1HD TYR 111 5.558 5.639 -7.548 813 HD2 TYR 111 2HD TYR 111 7.178 2.225 -5.593 814 HE1 TYR 111 1HE TYR 111 7.651 6.868 -7.149 815 HE2 TYR 111 2HE TYR 111 9.275 3.446 -5.186 816 HH TYR 111 HH TYR 111 10.247 5.494 -5.206 817 H TYR 112 H TYR 112 6.232 2.997 -10.321 818 HA TYR 112 HA TYR 112 7.617 0.440 -10.027 819 HB2 TYR 112 1HB TYR 112 7.981 2.393 -12.291 820 HB3 TYR 112 2HB TYR 112 8.280 0.658 -12.285 821 HD1 TYR 112 1HD TYR 112 5.857 -0.499 -11.250 822 HD2 TYR 112 2HD TYR 112 6.324 2.847 -13.836 823 HE1 TYR 112 1HE TYR 112 3.605 -0.894 -12.157 824 HE2 TYR 112 2HE TYR 112 4.072 2.462 -14.750 825 HH TYR 112 HH TYR 112 2.234 1.227 -14.658 826 H SER 113 H SER 113 9.822 0.248 -9.785 827 HA SER 113 HA SER 113 11.143 2.560 -8.622 828 HB2 SER 113 1HB SER 113 11.462 0.605 -7.341 829 HB3 SER 113 2HB SER 113 11.805 -0.376 -8.766 830 HG SER 113 HG SER 113 13.530 0.878 -7.211 831 H GLY 114 H GLY 114 12.085 0.081 -11.018 832 HA2 GLY 114 1HA GLY 114 14.143 1.810 -12.082 833 HA3 GLY 114 2HA GLY 114 13.738 0.195 -12.646 834 HA PRO 115 HA PRO 115 11.982 3.700 -15.393 835 HB2 PRO 115 1HB PRO 115 13.887 3.751 -17.325 836 HB3 PRO 115 2HB PRO 115 13.939 4.793 -15.898 837 HG2 PRO 115 1HG PRO 115 15.388 2.227 -16.423 838 HG3 PRO 115 2HG PRO 115 15.995 3.725 -15.695 839 HD2 PRO 115 1HD PRO 115 15.281 1.572 -14.217 840 HD3 PRO 115 2HD PRO 115 15.089 3.238 -13.633 841 H SER 116 H SER 116 11.250 3.409 -17.634 842 HA SER 116 HA SER 116 10.201 0.891 -18.122 843 HB2 SER 116 1HB SER 116 10.731 3.154 -20.059 844 HB3 SER 116 2HB SER 116 9.751 1.737 -20.437 845 HG SER 116 HG SER 116 8.621 2.449 -18.352 846 H SER 117 H SER 117 10.939 -0.926 -19.024 847 HA SER 117 HA SER 117 13.609 -1.459 -19.428 848 HB2 SER 117 1HB SER 117 11.311 -2.837 -20.839 849 HB3 SER 117 2HB SER 117 12.914 -3.509 -20.540 850 HG SER 117 HG SER 117 12.209 -2.884 -18.202 851 H GLY 118 H GLY 118 14.849 -1.884 -21.350 852 HA2 GLY 118 1HA GLY 118 14.482 -1.609 -23.933 853 HA3 GLY 118 2HA GLY 118 14.253 0.066 -23.452 854 H1 MET 1 H MET 1 20.770 2.144 19.989 855 HA MET 1 HA MET 1 19.256 1.280 17.777 856 HB2 MET 1 1HB MET 1 20.005 0.012 20.396 857 HB3 MET 1 2HB MET 1 18.946 -0.817 19.264 858 HG2 MET 1 1HG MET 1 21.662 0.215 18.507 859 HG3 MET 1 2HG MET 1 21.386 -1.406 19.141 860 HE1 MET 1 3HE MET 1 21.350 -3.169 15.946 861 HE2 MET 1 1HE MET 1 22.203 -2.780 17.441 862 HE3 MET 1 2HE MET 1 20.583 -3.472 17.508 863 H ASP 2 H ASP 2 17.368 2.496 17.631 864 HA ASP 2 HA ASP 2 15.365 1.963 19.727 865 HB2 ASP 2 1HB ASP 2 14.297 4.071 19.149 866 HB3 ASP 2 2HB ASP 2 15.989 4.351 19.554 867 H ASN 3 H ASN 3 13.495 1.018 19.148 868 HA ASN 3 HA ASN 3 13.194 0.260 16.338 869 HB2 ASN 3 1HB ASN 3 11.426 -1.309 17.307 870 HB3 ASN 3 2HB ASN 3 13.099 -1.635 17.751 871 HD21 ASN 3 1HD2 ASN 3 12.040 -2.833 19.496 872 HD22 ASN 3 2HD2 ASN 3 11.603 -1.982 20.935 873 H GLN 4 H GLN 4 11.767 1.242 15.076 874 HA GLN 4 HA GLN 4 9.186 2.049 15.998 875 HB2 GLN 4 1HB GLN 4 10.912 3.903 16.673 876 HB3 GLN 4 2HB GLN 4 10.821 4.335 14.970 877 HG2 GLN 4 1HG GLN 4 8.664 5.063 15.122 878 HG3 GLN 4 2HG GLN 4 8.284 4.001 16.476 879 HE21 GLN 4 1HE2 GLN 4 9.845 4.543 18.432 880 HE22 GLN 4 2HE2 GLN 4 9.847 6.214 18.873 881 H GLY 5 H GLY 5 8.020 1.294 14.355 882 HA2 GLY 5 1HA GLY 5 9.065 1.534 11.625 883 HA3 GLY 5 2HA GLY 5 7.745 0.493 12.137 884 H VAL 6 H VAL 6 5.851 1.097 11.353 885 HA VAL 6 HA VAL 6 5.120 3.925 11.381 886 HB VAL 6 HB VAL 6 4.121 3.643 9.056 887 HG11 VAL 6 1HG1 VAL 6 6.492 4.657 9.884 888 HG12 VAL 6 2HG1 VAL 6 7.029 3.498 8.667 889 HG13 VAL 6 3HG1 VAL 6 5.885 4.768 8.232 890 HG21 VAL 6 3HG2 VAL 6 5.574 1.102 9.344 891 HG22 VAL 6 1HG2 VAL 6 4.188 1.512 8.333 892 HG23 VAL 6 2HG2 VAL 6 5.818 1.940 7.812 893 H ILE 7 H ILE 7 2.888 4.309 11.432 894 HA ILE 7 HA ILE 7 1.345 2.235 12.637 895 HB ILE 7 HB ILE 7 0.379 4.908 11.618 896 HG12 ILE 7 1HG1 ILE 7 2.329 4.893 13.300 897 HG13 ILE 7 2HG1 ILE 7 0.914 5.860 13.700 898 HG21 ILE 7 1HG2 ILE 7 -0.809 2.768 13.317 899 HG22 ILE 7 2HG2 ILE 7 -1.232 4.450 13.635 900 HG23 ILE 7 3HG2 ILE 7 -1.552 3.745 12.051 901 HD11 ILE 7 3HD1 ILE 7 0.178 4.305 15.297 902 HD12 ILE 7 1HD1 ILE 7 1.287 3.063 14.716 903 HD13 ILE 7 2HD1 ILE 7 1.913 4.480 15.561 904 H PTR 8 H PTR 8 -0.761 1.507 11.879 905 HA PTR 8 HA PTR 8 -0.979 1.453 8.943 906 HB2 PTR 8 2HB PTR 8 -1.051 -0.816 10.899 907 HB3 PTR 8 3HB PTR 8 -1.973 -0.928 9.404 908 HD1 PTR 8 1HD PTR 8 1.464 0.167 10.409 909 HD2 PTR 8 2HD PTR 8 -0.933 -2.093 7.718 910 HE1 PTR 8 1HE PTR 8 3.493 -0.557 9.222 911 HE2 PTR 8 2HE PTR 8 1.088 -2.826 6.523 912 H SER 9 H SER 9 -2.729 2.632 8.503 913 HA SER 9 HA SER 9 -4.881 3.098 10.232 914 HB2 SER 9 1HB SER 9 -4.372 3.525 7.326 915 HB3 SER 9 2HB SER 9 -6.040 3.629 7.889 916 HG SER 9 HG SER 9 -4.936 5.051 9.605 917 H ASP 10 H ASP 10 -5.980 1.411 11.056 918 HA ASP 10 HA ASP 10 -6.517 -1.026 9.856 919 HB2 ASP 10 1HB ASP 10 -7.692 0.506 12.113 920 HB3 ASP 10 2HB ASP 10 -8.652 -0.825 11.472 921 H LEU 11 H LEU 11 -8.873 -1.807 9.450 922 HA LEU 11 HA LEU 11 -10.045 0.025 7.470 923 HB2 LEU 11 1HB LEU 11 -9.731 -2.918 7.625 924 HB3 LEU 11 2HB LEU 11 -11.186 -2.302 6.847 925 HG LEU 11 HG LEU 11 -9.924 -1.221 5.150 926 HD11 LEU 11 1HD1 LEU 11 -8.110 -0.480 6.755 927 HD12 LEU 11 2HD1 LEU 11 -7.586 -0.945 5.138 928 HD13 LEU 11 3HD1 LEU 11 -7.367 -2.056 6.489 929 HD21 LEU 11 3HD2 LEU 11 -9.262 -4.038 5.785 930 HD22 LEU 11 1HD2 LEU 11 -8.321 -3.251 4.516 931 HD23 LEU 11 2HD2 LEU 11 -10.077 -3.350 4.379 932 H ASN 12 H ASN 12 -12.505 -0.926 7.090 933 HA ASN 12 HA ASN 12 -13.859 -0.167 9.533 934 HB2 ASN 12 1HB ASN 12 -15.804 0.090 8.214 935 HB3 ASN 12 2HB ASN 12 -14.483 0.629 7.183 936 HD21 ASN 12 1HD2 ASN 12 -13.599 -1.006 5.683 937 HD22 ASN 12 2HD2 ASN 12 -14.703 -2.120 4.960 938 H LEU 13 H LEU 13 -13.227 -3.048 7.700 939 HA LEU 13 HA LEU 13 -15.271 -4.702 8.669 940 HB2 LEU 13 1HB LEU 13 -12.493 -5.665 8.075 941 HB3 LEU 13 2HB LEU 13 -14.020 -6.519 7.861 942 HG LEU 13 HG LEU 13 -13.485 -6.032 5.688 943 HD11 LEU 13 1HD1 LEU 13 -15.687 -5.064 6.263 944 HD12 LEU 13 2HD1 LEU 13 -14.901 -4.248 4.911 945 HD13 LEU 13 3HD1 LEU 13 -14.904 -3.503 6.510 946 HD21 LEU 13 3HD2 LEU 13 -11.843 -4.644 5.119 947 HD22 LEU 13 1HD2 LEU 13 -11.688 -4.234 6.828 948 HD23 LEU 13 2HD2 LEU 13 -12.708 -3.253 5.775 949 HA PRO 14 HA PRO 14 -12.110 -5.899 12.159 950 HB2 PRO 14 1HB PRO 14 -10.165 -4.073 12.665 951 HB3 PRO 14 2HB PRO 14 -9.961 -5.401 11.517 952 HG2 PRO 14 1HG PRO 14 -10.640 -2.533 10.994 953 HG3 PRO 14 2HG PRO 14 -9.511 -3.592 10.128 954 HD2 PRO 14 1HD PRO 14 -12.001 -3.055 9.209 955 HD3 PRO 14 2HD PRO 14 -11.192 -4.609 8.923 956 HA PRO 15 HA PRO 15 -14.134 -3.494 15.235 957 HB2 PRO 15 1HB PRO 15 -12.625 -4.021 17.430 958 HB3 PRO 15 2HB PRO 15 -13.710 -5.211 16.702 959 HG2 PRO 15 1HG PRO 15 -10.748 -4.915 16.397 960 HG3 PRO 15 2HG PRO 15 -11.707 -6.389 16.624 961 HD2 PRO 15 1HD PRO 15 -10.780 -5.611 14.200 962 HD3 PRO 15 2HD PRO 15 -12.313 -6.487 14.402 Start of MODEL 17 1 H1 GLY 1 H GLY 1 13.866 -22.905 -17.909 2 HA2 GLY 1 1HA GLY 1 12.032 -23.104 -19.279 3 HA3 GLY 1 2HA GLY 1 11.190 -23.582 -17.812 4 H SER 2 H SER 2 11.223 -21.234 -16.368 5 HA SER 2 HA SER 2 10.100 -19.149 -18.060 6 HB2 SER 2 1HB SER 2 8.249 -20.795 -17.405 7 HB3 SER 2 2HB SER 2 8.458 -20.202 -15.758 8 HG SER 2 HG SER 2 8.140 -18.322 -17.798 9 H SER 3 H SER 3 9.896 -17.118 -17.004 10 HA SER 3 HA SER 3 11.340 -16.952 -14.440 11 HB2 SER 3 1HB SER 3 12.710 -16.132 -16.336 12 HB3 SER 3 2HB SER 3 11.451 -14.958 -16.717 13 HG SER 3 HG SER 3 11.923 -13.839 -14.923 14 H GLY 4 H GLY 4 9.199 -15.052 -16.575 15 HA2 GLY 4 1HA GLY 4 7.135 -14.108 -16.012 16 HA3 GLY 4 2HA GLY 4 7.418 -14.547 -14.334 17 H SER 5 H SER 5 6.469 -12.019 -15.411 18 HA SER 5 HA SER 5 8.680 -10.260 -14.568 19 HB2 SER 5 1HB SER 5 6.540 -9.927 -16.636 20 HB3 SER 5 2HB SER 5 7.186 -8.498 -15.830 21 HG SER 5 HG SER 5 9.315 -9.661 -16.443 22 H SER 6 H SER 6 8.183 -8.473 -13.231 23 HA SER 6 HA SER 6 5.819 -8.926 -11.556 24 HB2 SER 6 1HB SER 6 8.503 -7.690 -11.087 25 HB3 SER 6 2HB SER 6 7.145 -7.180 -10.085 26 HG SER 6 HG SER 6 8.391 -9.002 -9.269 27 H GLY 7 H GLY 7 4.594 -7.086 -10.781 28 HA2 GLY 7 1HA GLY 7 4.542 -4.902 -12.771 29 HA3 GLY 7 2HA GLY 7 3.113 -5.533 -11.964 30 H TRP 8 H TRP 8 3.039 -5.253 -9.579 31 HA TRP 8 HA TRP 8 4.352 -2.732 -8.796 32 HB2 TRP 8 1HB TRP 8 2.193 -2.716 -7.206 33 HB3 TRP 8 2HB TRP 8 2.187 -2.012 -8.820 34 HD1 TRP 8 HD TRP 8 0.097 -2.662 -10.124 35 HE1 TRP 8 1HE TRP 8 -1.458 -4.710 -10.236 36 HE3 TRP 8 3HE TRP 8 2.427 -5.642 -6.684 37 HZ2 TRP 8 2HZ TRP 8 -1.670 -7.251 -9.027 38 HZ3 TRP 8 3HZ TRP 8 1.484 -7.866 -6.219 39 HH2 TRP 8 HH TRP 8 -0.523 -8.652 -7.366 40 H TYR 9 H TYR 9 5.175 -5.561 -8.377 41 HA TYR 9 HA TYR 9 5.033 -5.697 -5.443 42 HB2 TYR 9 1HB TYR 9 4.290 -7.671 -6.914 43 HB3 TYR 9 2HB TYR 9 6.003 -7.910 -7.241 44 HD1 TYR 9 1HD TYR 9 3.406 -7.979 -4.629 45 HD2 TYR 9 2HD TYR 9 7.461 -8.845 -5.586 46 HE1 TYR 9 1HE TYR 9 3.613 -9.278 -2.551 47 HE2 TYR 9 2HE TYR 9 7.678 -10.148 -3.511 48 HH TYR 9 HH TYR 9 6.155 -11.379 -1.942 49 H HIS 10 H HIS 10 6.766 -5.119 -4.326 50 HA HIS 10 HA HIS 10 9.345 -4.923 -5.714 51 HB2 HIS 10 1HB HIS 10 8.348 -3.640 -3.164 52 HB3 HIS 10 2HB HIS 10 9.994 -3.480 -3.768 53 HD1 HIS 10 1HD HIS 10 10.408 -1.603 -5.347 54 HD2 HIS 10 2HD HIS 10 6.368 -2.514 -5.020 55 HE1 HIS 10 1HE HIS 10 9.210 0.171 -6.666 56 HE2 HIS 10 2HE HIS 10 6.763 -0.351 -6.383 57 H GLY 11 H GLY 11 8.079 -5.847 -2.503 58 HA2 GLY 11 1HA GLY 11 8.594 -8.010 -1.562 59 HA3 GLY 11 2HA GLY 11 10.119 -7.974 -2.434 60 H HIS 12 H HIS 12 11.851 -7.540 -1.255 61 HA HIS 12 HA HIS 12 11.777 -6.972 1.471 62 HB2 HIS 12 1HB HIS 12 14.017 -6.525 -0.512 63 HB3 HIS 12 2HB HIS 12 14.206 -6.479 1.239 64 HD1 HIS 12 1HD HIS 12 14.893 -8.619 2.268 65 HD2 HIS 12 2HD HIS 12 13.011 -9.197 -1.390 66 HE1 HIS 12 1HE HIS 12 15.030 -11.091 1.824 67 HE2 HIS 12 2HE HIS 12 13.960 -11.405 -0.435 68 H MET 13 H MET 13 10.890 -5.194 2.311 69 HA MET 13 HA MET 13 12.065 -2.637 1.812 70 HB2 MET 13 1HB MET 13 10.349 -3.018 -0.078 71 HB3 MET 13 2HB MET 13 9.131 -2.796 1.172 72 HG2 MET 13 1HG MET 13 9.292 -0.671 0.376 73 HG3 MET 13 2HG MET 13 10.489 -0.612 1.666 74 HE1 MET 13 3HE MET 13 10.103 -1.781 -1.976 75 HE2 MET 13 1HE MET 13 9.934 -0.039 -2.191 76 HE3 MET 13 2HE MET 13 11.345 -0.874 -2.840 77 H SER 14 H SER 14 11.757 -1.261 3.506 78 HA SER 14 HA SER 14 10.207 -2.324 5.753 79 HB2 SER 14 1HB SER 14 12.316 -0.151 5.696 80 HB3 SER 14 2HB SER 14 11.531 -0.781 7.144 81 HG SER 14 HG SER 14 13.580 -1.830 5.667 82 H GLY 15 H GLY 15 8.682 -1.104 6.858 83 HA2 GLY 15 1HA GLY 15 6.902 0.432 5.503 84 HA3 GLY 15 2HA GLY 15 7.170 0.604 7.232 85 H GLY 16 H GLY 16 9.334 1.893 7.674 86 HA2 GLY 16 1HA GLY 16 8.903 4.534 7.046 87 HA3 GLY 16 2HA GLY 16 10.468 3.888 7.517 88 H GLN 17 H GLN 17 10.444 2.118 5.090 89 HA GLN 17 HA GLN 17 11.803 3.938 3.356 90 HB2 GLN 17 1HB GLN 17 12.157 1.356 3.786 91 HB3 GLN 17 2HB GLN 17 11.014 1.201 2.459 92 HG2 GLN 17 1HG GLN 17 12.456 2.320 0.961 93 HG3 GLN 17 2HG GLN 17 13.509 2.860 2.267 94 HE21 GLN 17 1HE2 GLN 17 14.364 1.475 -0.030 95 HE22 GLN 17 2HE2 GLN 17 14.998 -0.052 0.469 96 H ALA 18 H ALA 18 9.060 1.754 2.690 97 HA ALA 18 HA ALA 18 8.225 2.565 0.281 98 HB1 ALA 18 1HB ALA 18 6.556 1.214 0.834 99 HB2 ALA 18 2HB ALA 18 6.961 1.372 2.543 100 HB3 ALA 18 3HB ALA 18 5.845 2.512 1.793 101 H GLU 19 H GLU 19 7.528 4.312 3.294 102 HA GLU 19 HA GLU 19 5.907 6.318 2.296 103 HB2 GLU 19 1HB GLU 19 7.754 6.077 4.608 104 HB3 GLU 19 2HB GLU 19 7.233 7.698 4.172 105 HG2 GLU 19 1HG GLU 19 4.859 6.728 4.223 106 HG3 GLU 19 2HG GLU 19 5.584 5.381 5.100 107 H THR 20 H THR 20 9.450 6.229 2.468 108 HA THR 20 HA THR 20 9.900 8.796 1.406 109 HB THR 20 HB THR 20 11.704 6.374 1.229 110 HG1 THR 20 1HG THR 20 11.951 8.454 3.121 111 HG21 THR 20 3HG2 THR 20 12.646 7.906 -0.239 112 HG22 THR 20 1HG2 THR 20 13.450 8.299 1.280 113 HG23 THR 20 2HG2 THR 20 12.112 9.295 0.708 114 H LEU 21 H LEU 21 10.125 5.615 -0.200 115 HA LEU 21 HA LEU 21 10.617 6.498 -2.773 116 HB2 LEU 21 1HB LEU 21 8.943 4.123 -1.970 117 HB3 LEU 21 2HB LEU 21 9.715 4.368 -3.535 118 HG LEU 21 HG LEU 21 11.895 4.461 -2.025 119 HD11 LEU 21 1HD1 LEU 21 11.577 3.893 0.094 120 HD12 LEU 21 2HD1 LEU 21 11.024 2.307 -0.442 121 HD13 LEU 21 3HD1 LEU 21 9.862 3.611 -0.201 122 HD21 LEU 21 3HD2 LEU 21 10.843 2.720 -3.812 123 HD22 LEU 21 1HD2 LEU 21 10.956 1.699 -2.378 124 HD23 LEU 21 2HD2 LEU 21 12.397 2.501 -3.004 125 H LEU 22 H LEU 22 7.464 5.849 -1.255 126 HA LEU 22 HA LEU 22 5.900 6.582 -3.479 127 HB2 LEU 22 1HB LEU 22 5.394 6.303 -0.550 128 HB3 LEU 22 2HB LEU 22 4.161 7.031 -1.577 129 HG LEU 22 HG LEU 22 5.296 4.252 -1.891 130 HD11 LEU 22 1HD1 LEU 22 2.819 5.327 -0.606 131 HD12 LEU 22 2HD1 LEU 22 3.949 4.111 -0.014 132 HD13 LEU 22 3HD1 LEU 22 2.832 3.715 -1.320 133 HD21 LEU 22 3HD2 LEU 22 4.630 4.641 -4.018 134 HD22 LEU 22 1HD2 LEU 22 3.535 5.943 -3.556 135 HD23 LEU 22 2HD2 LEU 22 3.045 4.262 -3.344 136 H GLN 23 H GLN 23 6.305 8.415 -0.442 137 HA GLN 23 HA GLN 23 5.182 10.783 -1.176 138 HB2 GLN 23 1HB GLN 23 7.601 10.271 0.548 139 HB3 GLN 23 2HB GLN 23 6.883 11.867 0.379 140 HG2 GLN 23 1HG GLN 23 4.845 11.145 1.363 141 HG3 GLN 23 2HG GLN 23 5.350 9.457 1.311 142 HE21 GLN 23 1HE2 GLN 23 4.490 11.038 3.583 143 HE22 GLN 23 2HE2 GLN 23 5.792 11.012 4.718 144 H ALA 24 H ALA 24 8.556 9.820 -1.744 145 HA ALA 24 HA ALA 24 9.485 12.143 -2.934 146 HB1 ALA 24 1HB ALA 24 11.151 10.703 -4.059 147 HB2 ALA 24 2HB ALA 24 10.979 10.345 -2.339 148 HB3 ALA 24 3HB ALA 24 10.237 9.286 -3.538 149 H LYS 25 H LYS 25 7.497 9.588 -4.268 150 HA LYS 25 HA LYS 25 7.777 10.219 -6.997 151 HB2 LYS 25 1HB LYS 25 6.762 8.123 -6.067 152 HB3 LYS 25 2HB LYS 25 5.335 9.061 -5.643 153 HG2 LYS 25 1HG LYS 25 4.736 8.099 -7.652 154 HG3 LYS 25 2HG LYS 25 5.295 9.700 -8.144 155 HD2 LYS 25 1HD LYS 25 7.603 8.467 -8.381 156 HD3 LYS 25 2HD LYS 25 6.582 7.034 -8.519 157 HE2 LYS 25 1HE LYS 25 5.318 8.221 -10.326 158 HE3 LYS 25 2HE LYS 25 6.530 9.499 -10.255 159 HZ1 LYS 25 3HZ LYS 25 6.674 6.920 -11.494 160 HZ2 LYS 25 1HZ LYS 25 8.002 7.226 -10.492 161 HZ3 LYS 25 2HZ LYS 25 7.628 8.294 -11.749 162 H GLY 26 H GLY 26 5.423 11.302 -4.565 163 HA2 GLY 26 1HA GLY 26 4.236 13.281 -4.467 164 HA3 GLY 26 2HA GLY 26 5.088 13.815 -5.909 165 H GLU 27 H GLU 27 3.558 10.769 -6.158 166 HA GLU 27 HA GLU 27 1.449 11.990 -7.804 167 HB2 GLU 27 1HB GLU 27 2.884 9.358 -7.940 168 HB3 GLU 27 2HB GLU 27 1.304 9.545 -8.687 169 HG2 GLU 27 1HG GLU 27 2.463 11.670 -9.750 170 HG3 GLU 27 2HG GLU 27 3.916 10.720 -9.445 171 HA PRO 28 HA PRO 28 -1.349 10.695 -4.586 172 HB2 PRO 28 1HB PRO 28 -3.603 11.579 -5.815 173 HB3 PRO 28 2HB PRO 28 -2.473 12.658 -4.987 174 HG2 PRO 28 1HG PRO 28 -2.731 12.067 -7.910 175 HG3 PRO 28 2HG PRO 28 -2.482 13.625 -7.102 176 HD2 PRO 28 1HD PRO 28 -0.463 12.253 -8.272 177 HD3 PRO 28 2HD PRO 28 -0.219 13.269 -6.837 178 H TRP 29 H TRP 29 -2.622 8.930 -4.252 179 HA TRP 29 HA TRP 29 -3.760 6.995 -4.645 180 HB2 TRP 29 1HB TRP 29 -3.947 7.719 -7.563 181 HB3 TRP 29 2HB TRP 29 -5.053 6.741 -6.602 182 HD1 TRP 29 HD TRP 29 -5.313 9.767 -8.281 183 HE1 TRP 29 1HE TRP 29 -6.771 11.516 -7.080 184 HE3 TRP 29 3HE TRP 29 -5.328 7.727 -3.593 185 HZ2 TRP 29 2HZ TRP 29 -7.792 11.969 -4.488 186 HZ3 TRP 29 3HZ TRP 29 -6.569 8.882 -1.809 187 HH2 TRP 29 HH TRP 29 -7.774 10.958 -2.249 188 H THR 30 H THR 30 -0.843 7.311 -4.990 189 HA THR 30 HA THR 30 -0.165 5.355 -7.034 190 HB THR 30 HB THR 30 1.585 6.883 -5.098 191 HG1 THR 30 1HG THR 30 0.577 8.065 -6.866 192 HG21 THR 30 3HG2 THR 30 2.928 5.072 -5.510 193 HG22 THR 30 1HG2 THR 30 3.325 6.059 -6.915 194 HG23 THR 30 2HG2 THR 30 2.176 4.730 -7.068 195 H PHE 31 H PHE 31 -0.816 3.356 -6.401 196 HA PHE 31 HA PHE 31 -0.245 2.434 -3.698 197 HB2 PHE 31 1HB PHE 31 -1.690 0.630 -4.127 198 HB3 PHE 31 2HB PHE 31 -2.431 1.983 -4.977 199 HD1 PHE 31 1HD PHE 31 -2.256 2.142 -7.434 200 HD2 PHE 31 2HD PHE 31 -0.878 -1.269 -5.291 201 HE1 PHE 31 1HE PHE 31 -2.242 0.839 -9.523 202 HE2 PHE 31 2HE PHE 31 -0.861 -2.575 -7.376 203 HZ PHE 31 HZ PHE 31 -1.542 -1.521 -9.495 204 H LEU 32 H LEU 32 0.734 0.259 -3.413 205 HA LEU 32 HA LEU 32 2.327 -0.913 -5.438 206 HB2 LEU 32 1HB LEU 32 4.456 -0.173 -4.983 207 HB3 LEU 32 2HB LEU 32 3.511 1.306 -4.812 208 HG LEU 32 HG LEU 32 3.496 0.585 -2.269 209 HD11 LEU 32 1HD1 LEU 32 6.168 -0.226 -2.289 210 HD12 LEU 32 2HD1 LEU 32 5.354 -1.252 -3.470 211 HD13 LEU 32 3HD1 LEU 32 4.762 -1.178 -1.810 212 HD21 LEU 32 3HD2 LEU 32 5.510 2.068 -3.883 213 HD22 LEU 32 1HD2 LEU 32 5.825 1.802 -2.168 214 HD23 LEU 32 2HD2 LEU 32 4.370 2.661 -2.673 215 H VAL 33 H VAL 33 2.966 -2.926 -4.850 216 HA VAL 33 HA VAL 33 2.292 -3.765 -2.126 217 HB VAL 33 HB VAL 33 2.963 -5.589 -4.427 218 HG11 VAL 33 1HG1 VAL 33 1.199 -6.936 -2.959 219 HG12 VAL 33 2HG1 VAL 33 2.927 -6.950 -2.604 220 HG13 VAL 33 3HG1 VAL 33 1.847 -5.890 -1.697 221 HG21 VAL 33 3HG2 VAL 33 1.176 -4.513 -5.387 222 HG22 VAL 33 1HG2 VAL 33 0.342 -5.763 -4.464 223 HG23 VAL 33 2HG2 VAL 33 0.439 -4.119 -3.834 224 H ARG 34 H ARG 34 3.722 -4.855 -0.802 225 HA ARG 34 HA ARG 34 6.390 -5.489 -1.698 226 HB2 ARG 34 1HB ARG 34 7.554 -4.021 -0.153 227 HB3 ARG 34 2HB ARG 34 6.560 -3.070 -1.248 228 HG2 ARG 34 1HG ARG 34 4.804 -3.218 0.677 229 HG3 ARG 34 2HG ARG 34 6.220 -3.569 1.668 230 HD2 ARG 34 1HD ARG 34 7.236 -1.498 1.097 231 HD3 ARG 34 2HD ARG 34 6.046 -1.190 -0.166 232 HE ARG 34 HE ARG 34 4.683 -0.294 1.424 233 HH11 ARG 34 2HH1 ARG 34 6.991 -2.377 2.991 234 HH12 ARG 34 1HH1 ARG 34 6.471 -1.966 4.592 235 HH21 ARG 34 2HH2 ARG 34 3.989 0.254 3.527 236 HH22 ARG 34 1HH2 ARG 34 4.762 -0.470 4.896 237 H GLU 35 H GLU 35 6.711 -7.420 -0.828 238 HA GLU 35 HA GLU 35 5.344 -8.800 0.996 239 HB2 GLU 35 1HB GLU 35 7.649 -9.288 -0.245 240 HB3 GLU 35 2HB GLU 35 8.297 -8.951 1.354 241 HG2 GLU 35 1HG GLU 35 6.379 -10.654 2.054 242 HG3 GLU 35 2HG GLU 35 6.656 -11.221 0.408 243 H SER 36 H SER 36 5.288 -9.132 3.225 244 HA SER 36 HA SER 36 5.406 -6.860 4.839 245 HB2 SER 36 1HB SER 36 4.087 -9.000 5.248 246 HB3 SER 36 2HB SER 36 5.581 -9.690 5.881 247 HG SER 36 HG SER 36 3.904 -8.414 7.282 248 H LEU 37 H LEU 37 6.667 -6.990 7.048 249 HA LEU 37 HA LEU 37 9.502 -7.473 6.400 250 HB2 LEU 37 1HB LEU 37 8.526 -5.058 6.759 251 HB3 LEU 37 2HB LEU 37 8.674 -5.486 8.462 252 HG LEU 37 HG LEU 37 11.110 -5.963 8.010 253 HD11 LEU 37 1HD1 LEU 37 11.499 -4.269 5.813 254 HD12 LEU 37 2HD1 LEU 37 10.242 -5.409 5.333 255 HD13 LEU 37 3HD1 LEU 37 11.801 -6.004 5.903 256 HD21 LEU 37 3HD2 LEU 37 11.495 -3.346 7.603 257 HD22 LEU 37 1HD2 LEU 37 10.942 -4.010 9.142 258 HD23 LEU 37 2HD2 LEU 37 9.777 -3.324 8.008 259 H SER 38 H SER 38 6.912 -8.150 8.508 260 HA SER 38 HA SER 38 8.759 -9.343 10.469 261 HB2 SER 38 1HB SER 38 6.015 -8.149 10.784 262 HB3 SER 38 2HB SER 38 6.644 -9.298 11.965 263 HG SER 38 HG SER 38 7.124 -7.158 12.568 264 H GLN 39 H GLN 39 5.342 -9.859 9.608 265 HA GLN 39 HA GLN 39 5.452 -12.643 10.066 266 HB2 GLN 39 1HB GLN 39 3.475 -10.791 8.794 267 HB3 GLN 39 2HB GLN 39 3.259 -12.528 8.622 268 HG2 GLN 39 1HG GLN 39 3.362 -12.699 11.114 269 HG3 GLN 39 2HG GLN 39 3.338 -10.939 11.172 270 HE21 GLN 39 1HE2 GLN 39 1.464 -9.841 10.631 271 HE22 GLN 39 2HE2 GLN 39 -0.068 -10.630 10.506 272 HA PRO 40 HA PRO 40 7.543 -13.628 6.225 273 HB2 PRO 40 1HB PRO 40 7.848 -16.266 6.791 274 HB3 PRO 40 2HB PRO 40 8.890 -15.011 7.470 275 HG2 PRO 40 1HG PRO 40 6.545 -16.400 8.708 276 HG3 PRO 40 2HG PRO 40 8.115 -15.997 9.428 277 HD2 PRO 40 1HD PRO 40 5.888 -14.520 9.867 278 HD3 PRO 40 2HD PRO 40 7.513 -13.807 9.822 279 H GLY 41 H GLY 41 4.451 -14.195 7.172 280 HA2 GLY 41 1HA GLY 41 3.863 -15.651 4.675 281 HA3 GLY 41 2HA GLY 41 3.098 -16.125 6.185 282 H ASP 42 H ASP 42 3.689 -12.770 5.620 283 HA ASP 42 HA ASP 42 0.900 -12.370 4.788 284 HB2 ASP 42 1HB ASP 42 2.316 -11.021 7.089 285 HB3 ASP 42 2HB ASP 42 0.842 -10.384 6.364 286 H PHE 43 H PHE 43 0.504 -10.137 3.978 287 HA PHE 43 HA PHE 43 2.924 -9.014 2.729 288 HB2 PHE 43 1HB PHE 43 0.170 -9.300 1.509 289 HB3 PHE 43 2HB PHE 43 1.518 -8.450 0.762 290 HD1 PHE 43 1HD PHE 43 0.668 -11.786 2.190 291 HD2 PHE 43 2HD PHE 43 2.853 -9.587 -0.726 292 HE1 PHE 43 1HE PHE 43 1.425 -13.894 1.173 293 HE2 PHE 43 2HE PHE 43 3.614 -11.691 -1.748 294 HZ PHE 43 HZ PHE 43 2.899 -13.848 -0.800 295 H VAL 44 H VAL 44 2.329 -6.735 1.774 296 HA VAL 44 HA VAL 44 0.566 -5.259 3.582 297 HB VAL 44 HB VAL 44 3.470 -4.544 3.150 298 HG11 VAL 44 1HG1 VAL 44 2.432 -2.480 3.229 299 HG12 VAL 44 2HG1 VAL 44 1.168 -3.040 4.326 300 HG13 VAL 44 3HG1 VAL 44 2.804 -2.771 4.928 301 HG21 VAL 44 3HG2 VAL 44 3.251 -6.308 4.770 302 HG22 VAL 44 1HG2 VAL 44 3.600 -4.802 5.619 303 HG23 VAL 44 2HG2 VAL 44 1.958 -5.444 5.600 304 H LEU 45 H LEU 45 -0.223 -3.325 2.747 305 HA LEU 45 HA LEU 45 0.476 -2.769 -0.061 306 HB2 LEU 45 1HB LEU 45 -1.654 -3.786 -0.120 307 HB3 LEU 45 2HB LEU 45 -2.218 -2.858 1.267 308 HG LEU 45 HG LEU 45 -2.101 -0.808 -0.174 309 HD11 LEU 45 1HD1 LEU 45 -1.495 -0.855 -2.339 310 HD12 LEU 45 2HD1 LEU 45 -2.200 -2.448 -2.613 311 HD13 LEU 45 3HD1 LEU 45 -0.614 -2.305 -1.854 312 HD21 LEU 45 3HD2 LEU 45 -4.283 -1.230 -0.213 313 HD22 LEU 45 1HD2 LEU 45 -4.006 -2.973 -0.219 314 HD23 LEU 45 2HD2 LEU 45 -4.027 -2.078 -1.739 315 H SER 46 H SER 46 1.006 -0.726 -0.522 316 HA SER 46 HA SER 46 0.421 1.340 1.497 317 HB2 SER 46 1HB SER 46 2.841 1.259 -0.317 318 HB3 SER 46 2HB SER 46 2.537 2.390 1.002 319 HG SER 46 HG SER 46 2.741 -0.412 1.374 320 H VAL 47 H VAL 47 -0.219 3.357 0.789 321 HA VAL 47 HA VAL 47 -0.411 3.865 -2.073 322 HB VAL 47 HB VAL 47 -2.831 3.788 -0.268 323 HG11 VAL 47 1HG1 VAL 47 -3.859 4.352 -2.673 324 HG12 VAL 47 2HG1 VAL 47 -3.419 5.597 -1.501 325 HG13 VAL 47 3HG1 VAL 47 -2.317 5.194 -2.819 326 HG21 VAL 47 3HG2 VAL 47 -3.620 2.285 -2.214 327 HG22 VAL 47 1HG2 VAL 47 -1.903 2.155 -2.600 328 HG23 VAL 47 2HG2 VAL 47 -2.497 1.616 -1.030 329 H LEU 48 H LEU 48 -0.094 5.957 -2.542 330 HA LEU 48 HA LEU 48 0.273 7.814 -0.337 331 HB2 LEU 48 1HB LEU 48 1.880 7.505 -2.291 332 HB3 LEU 48 2HB LEU 48 0.697 8.384 -3.256 333 HG LEU 48 HG LEU 48 0.951 10.310 -1.695 334 HD11 LEU 48 1HD1 LEU 48 1.738 9.457 0.307 335 HD12 LEU 48 2HD1 LEU 48 3.180 10.201 -0.386 336 HD13 LEU 48 3HD1 LEU 48 2.957 8.455 -0.479 337 HD21 LEU 48 3HD2 LEU 48 3.689 9.752 -2.673 338 HD22 LEU 48 1HD2 LEU 48 2.659 11.164 -2.917 339 HD23 LEU 48 2HD2 LEU 48 2.386 9.699 -3.862 340 H SER 49 H SER 49 -1.665 8.548 0.369 341 HA SER 49 HA SER 49 -3.917 9.070 -1.210 342 HB2 SER 49 1HB SER 49 -4.668 10.468 0.751 343 HB3 SER 49 2HB SER 49 -4.181 8.825 1.163 344 HG SER 49 HG SER 49 -1.997 10.097 1.408 345 H ASP 50 H ASP 50 -4.880 11.100 -1.795 346 HA ASP 50 HA ASP 50 -2.963 12.913 -2.944 347 HB2 ASP 50 1HB ASP 50 -4.789 12.540 -4.352 348 HB3 ASP 50 2HB ASP 50 -5.952 12.659 -3.034 349 H GLN 51 H GLN 51 -4.078 12.643 0.090 350 HA GLN 51 HA GLN 51 -4.401 15.514 0.563 351 HB2 GLN 51 1HB GLN 51 -4.790 13.174 2.437 352 HB3 GLN 51 2HB GLN 51 -5.122 14.858 2.823 353 HG2 GLN 51 1HG GLN 51 -7.029 14.915 1.587 354 HG3 GLN 51 2HG GLN 51 -6.460 13.697 0.447 355 HE21 GLN 51 1HE2 GLN 51 -7.311 11.751 0.614 356 HE22 GLN 51 2HE2 GLN 51 -8.126 11.113 1.996 357 HA PRO 52 HA PRO 52 -0.119 15.668 1.773 358 HB2 PRO 52 1HB PRO 52 -0.130 18.283 2.504 359 HB3 PRO 52 2HB PRO 52 -0.086 17.757 0.817 360 HG2 PRO 52 1HG PRO 52 -2.416 18.686 2.451 361 HG3 PRO 52 2HG PRO 52 -1.992 19.088 0.777 362 HD2 PRO 52 1HD PRO 52 -3.882 17.251 1.401 363 HD3 PRO 52 2HD PRO 52 -2.865 17.121 -0.049 364 H LYS 53 H LYS 53 1.039 15.685 3.687 365 HA LYS 53 HA LYS 53 -0.245 14.934 6.033 366 HB2 LYS 53 1HB LYS 53 2.513 15.954 5.435 367 HB3 LYS 53 2HB LYS 53 2.023 15.669 7.100 368 HG2 LYS 53 1HG LYS 53 1.561 13.343 6.594 369 HG3 LYS 53 2HG LYS 53 1.971 13.613 4.898 370 HD2 LYS 53 1HD LYS 53 3.899 12.659 5.843 371 HD3 LYS 53 2HD LYS 53 4.250 14.387 5.748 372 HE2 LYS 53 1HE LYS 53 3.040 13.268 8.237 373 HE3 LYS 53 2HE LYS 53 4.761 13.035 7.934 374 HZ1 LYS 53 3HZ LYS 53 5.170 15.122 8.514 375 HZ2 LYS 53 1HZ LYS 53 3.563 15.256 9.026 376 HZ3 LYS 53 2HZ LYS 53 3.994 15.729 7.461 377 H ALA 54 H ALA 54 1.307 18.071 5.335 378 HA ALA 54 HA ALA 54 -0.327 19.258 7.476 379 HB1 ALA 54 1HB ALA 54 1.808 19.774 8.101 380 HB2 ALA 54 2HB ALA 54 2.398 19.844 6.440 381 HB3 ALA 54 3HB ALA 54 1.442 21.174 7.095 382 H GLY 55 H GLY 55 0.812 19.765 4.155 383 HA2 GLY 55 1HA GLY 55 -1.567 20.737 3.141 384 HA3 GLY 55 2HA GLY 55 -0.696 22.144 3.730 385 HA PRO 56 HA PRO 56 0.663 21.710 -0.600 386 HB2 PRO 56 1HB PRO 56 1.113 24.366 -0.940 387 HB3 PRO 56 2HB PRO 56 -0.487 23.633 -1.109 388 HG2 PRO 56 1HG PRO 56 0.684 25.107 1.218 389 HG3 PRO 56 2HG PRO 56 -0.943 25.226 0.522 390 HD2 PRO 56 1HD PRO 56 -0.417 23.795 2.759 391 HD3 PRO 56 2HD PRO 56 -1.681 23.330 1.602 392 H GLY 57 H GLY 57 2.566 20.606 0.174 393 HA2 GLY 57 1HA GLY 57 4.973 21.506 -0.473 394 HA3 GLY 57 2HA GLY 57 4.781 22.270 1.098 395 H SER 58 H SER 58 3.251 20.003 2.177 396 HA SER 58 HA SER 58 5.512 18.421 3.011 397 HB2 SER 58 1HB SER 58 3.822 17.292 4.483 398 HB3 SER 58 2HB SER 58 3.903 19.040 4.698 399 HG SER 58 HG SER 58 2.079 18.016 2.844 400 HA PRO 59 HA PRO 59 5.035 14.963 0.352 401 HB2 PRO 59 1HB PRO 59 5.777 12.930 1.991 402 HB3 PRO 59 2HB PRO 59 6.926 14.101 1.332 403 HG2 PRO 59 1HG PRO 59 5.646 14.021 4.036 404 HG3 PRO 59 2HG PRO 59 7.330 14.374 3.606 405 HD2 PRO 59 1HD PRO 59 5.537 16.317 4.188 406 HD3 PRO 59 2HD PRO 59 6.856 16.552 3.023 407 H LEU 60 H LEU 60 3.132 14.195 -0.302 408 HA LEU 60 HA LEU 60 0.794 13.929 0.988 409 HB2 LEU 60 1HB LEU 60 1.957 12.137 -1.126 410 HB3 LEU 60 2HB LEU 60 0.292 11.984 -0.567 411 HG LEU 60 HG LEU 60 1.485 14.415 -1.901 412 HD11 LEU 60 1HD1 LEU 60 -0.112 13.779 -3.725 413 HD12 LEU 60 2HD1 LEU 60 -0.327 12.233 -2.906 414 HD13 LEU 60 3HD1 LEU 60 1.261 12.690 -3.521 415 HD21 LEU 60 3HD2 LEU 60 -1.325 13.814 -0.985 416 HD22 LEU 60 1HD2 LEU 60 -0.855 15.192 -1.981 417 HD23 LEU 60 2HD2 LEU 60 -0.242 15.046 -0.334 418 H ARG 61 H ARG 61 -0.301 12.443 2.238 419 HA ARG 61 HA ARG 61 1.257 10.889 4.028 420 HB2 ARG 61 1HB ARG 61 -1.118 12.011 4.290 421 HB3 ARG 61 2HB ARG 61 -1.682 10.442 3.731 422 HG2 ARG 61 1HG ARG 61 -1.138 9.406 5.657 423 HG3 ARG 61 2HG ARG 61 0.304 10.394 5.907 424 HD2 ARG 61 1HD ARG 61 -0.947 11.286 7.564 425 HD3 ARG 61 2HD ARG 61 -1.587 12.266 6.246 426 HE ARG 61 HE ARG 61 -2.948 10.132 7.659 427 HH11 ARG 61 2HH1 ARG 61 -2.894 12.250 4.896 428 HH12 ARG 61 1HH1 ARG 61 -4.588 12.085 4.573 429 HH21 ARG 61 2HH2 ARG 61 -5.180 9.907 7.243 430 HH22 ARG 61 1HH2 ARG 61 -5.887 10.753 5.909 431 H VAL 62 H VAL 62 1.338 8.641 4.306 432 HA VAL 62 HA VAL 62 0.652 7.091 1.893 433 HB VAL 62 HB VAL 62 2.898 6.561 3.844 434 HG11 VAL 62 1HG1 VAL 62 2.072 5.174 1.299 435 HG12 VAL 62 2HG1 VAL 62 3.605 4.900 2.128 436 HG13 VAL 62 3HG1 VAL 62 2.086 4.500 2.928 437 HG21 VAL 62 3HG2 VAL 62 3.618 7.102 1.080 438 HG22 VAL 62 1HG2 VAL 62 2.811 8.468 1.852 439 HG23 VAL 62 2HG2 VAL 62 4.268 7.782 2.572 440 H THR 63 H THR 63 -1.083 5.881 2.267 441 HA THR 63 HA THR 63 -1.811 5.022 4.915 442 HB THR 63 HB THR 63 -3.050 4.369 2.236 443 HG1 THR 63 1HG THR 63 -3.900 6.169 4.277 444 HG21 THR 63 3HG2 THR 63 -3.439 2.743 4.189 445 HG22 THR 63 1HG2 THR 63 -4.856 3.383 3.360 446 HG23 THR 63 2HG2 THR 63 -4.369 4.053 4.916 447 H HIS 64 H HIS 64 -0.669 3.425 5.818 448 HA HIS 64 HA HIS 64 0.238 1.185 4.170 449 HB2 HIS 64 1HB HIS 64 0.858 1.679 7.083 450 HB3 HIS 64 2HB HIS 64 1.713 0.620 5.966 451 HD1 HIS 64 1HD HIS 64 2.936 1.970 3.914 452 HD2 HIS 64 2HD HIS 64 1.959 4.143 7.317 453 HE1 HIS 64 1HE HIS 64 4.346 4.050 3.809 454 HE2 HIS 64 2HE HIS 64 3.799 5.310 5.922 455 H ILE 65 H ILE 65 -1.012 -0.545 4.021 456 HA ILE 65 HA ILE 65 -2.666 -1.291 6.344 457 HB ILE 65 HB ILE 65 -3.366 -1.722 3.438 458 HG12 ILE 65 1HG1 ILE 65 -4.893 0.044 5.321 459 HG13 ILE 65 2HG1 ILE 65 -3.463 0.669 4.505 460 HG21 ILE 65 1HG2 ILE 65 -4.685 -3.323 4.248 461 HG22 ILE 65 2HG2 ILE 65 -4.367 -2.844 5.914 462 HG23 ILE 65 3HG2 ILE 65 -5.634 -2.036 4.993 463 HD11 ILE 65 3HD1 ILE 65 -4.443 0.542 2.418 464 HD12 ILE 65 1HD1 ILE 65 -5.641 -0.643 2.940 465 HD13 ILE 65 2HD1 ILE 65 -5.784 1.039 3.452 466 H LYS 66 H LYS 66 -2.159 -3.188 7.197 467 HA LYS 66 HA LYS 66 -0.281 -4.942 5.937 468 HB2 LYS 66 1HB LYS 66 -1.731 -4.862 8.538 469 HB3 LYS 66 2HB LYS 66 -1.084 -6.409 8.010 470 HG2 LYS 66 1HG LYS 66 1.110 -5.677 8.119 471 HG3 LYS 66 2HG LYS 66 0.651 -3.975 8.035 472 HD2 LYS 66 1HD LYS 66 1.404 -4.607 10.283 473 HD3 LYS 66 2HD LYS 66 -0.286 -4.097 10.279 474 HE2 LYS 66 1HE LYS 66 -0.403 -5.995 11.569 475 HE3 LYS 66 2HE LYS 66 -0.742 -6.656 9.969 476 HZ1 LYS 66 3HZ LYS 66 0.844 -8.054 11.013 477 HZ2 LYS 66 1HZ LYS 66 1.832 -6.748 11.440 478 HZ3 LYS 66 2HZ LYS 66 1.670 -7.189 9.816 479 H VAL 67 H VAL 67 -0.748 -6.427 4.467 480 HA VAL 67 HA VAL 67 -3.496 -7.311 4.107 481 HB VAL 67 HB VAL 67 -1.022 -7.903 2.477 482 HG11 VAL 67 1HG1 VAL 67 -3.882 -8.731 2.196 483 HG12 VAL 67 2HG1 VAL 67 -2.873 -8.519 0.764 484 HG13 VAL 67 3HG1 VAL 67 -2.415 -9.690 2.002 485 HG21 VAL 67 3HG2 VAL 67 -1.580 -5.581 2.314 486 HG22 VAL 67 1HG2 VAL 67 -2.112 -6.375 0.831 487 HG23 VAL 67 2HG2 VAL 67 -3.288 -5.955 2.077 488 H MET 68 H MET 68 -4.268 -9.203 4.786 489 HA MET 68 HA MET 68 -2.433 -11.086 6.051 490 HB2 MET 68 1HB MET 68 -5.377 -10.585 6.194 491 HB3 MET 68 2HB MET 68 -4.765 -12.175 6.630 492 HG2 MET 68 1HG MET 68 -3.290 -11.134 8.292 493 HG3 MET 68 2HG MET 68 -3.959 -9.557 7.875 494 HE1 MET 68 3HE MET 68 -7.488 -10.342 7.922 495 HE2 MET 68 1HE MET 68 -7.237 -9.246 9.281 496 HE3 MET 68 2HE MET 68 -6.291 -9.052 7.806 497 H CYS 69 H CYS 69 -3.043 -13.468 5.782 498 HA CYS 69 HA CYS 69 -3.865 -14.063 3.029 499 HB2 CYS 69 1HB CYS 69 -1.473 -14.078 2.910 500 HB3 CYS 69 2HB CYS 69 -1.345 -15.011 4.396 501 HG CYS 69 HG CYS 69 -1.515 -17.363 3.342 502 H GLU 70 H GLU 70 -5.362 -15.597 2.958 503 HA GLU 70 HA GLU 70 -5.644 -17.375 5.290 504 HB2 GLU 70 1HB GLU 70 -7.515 -15.706 4.599 505 HB3 GLU 70 2HB GLU 70 -7.839 -16.856 3.309 506 HG2 GLU 70 1HG GLU 70 -7.701 -17.765 6.152 507 HG3 GLU 70 2HG GLU 70 -9.164 -17.017 5.515 508 H GLY 71 H GLY 71 -4.485 -19.153 4.734 509 HA2 GLY 71 1HA GLY 71 -3.813 -21.007 3.543 510 HA3 GLY 71 2HA GLY 71 -5.527 -21.152 3.185 511 H GLY 72 H GLY 72 -2.953 -18.911 2.136 512 HA2 GLY 72 1HA GLY 72 -2.010 -18.885 -0.047 513 HA3 GLY 72 2HA GLY 72 -3.393 -19.801 -0.625 514 H ARG 73 H ARG 73 -5.462 -18.240 0.434 515 HA ARG 73 HA ARG 73 -5.547 -16.152 -1.518 516 HB2 ARG 73 1HB ARG 73 -7.499 -16.613 0.737 517 HB3 ARG 73 2HB ARG 73 -7.796 -15.776 -0.781 518 HG2 ARG 73 1HG ARG 73 -7.189 -18.073 -1.848 519 HG3 ARG 73 2HG ARG 73 -7.571 -18.699 -0.243 520 HD2 ARG 73 1HD ARG 73 -9.582 -18.840 -1.442 521 HD3 ARG 73 2HD ARG 73 -9.753 -17.403 -0.435 522 HE ARG 73 HE ARG 73 -8.830 -16.346 -2.702 523 HH11 ARG 73 2HH1 ARG 73 -11.347 -18.682 -2.128 524 HH12 ARG 73 1HH1 ARG 73 -12.278 -18.213 -3.510 525 HH21 ARG 73 2HH2 ARG 73 -10.048 -15.719 -4.526 526 HH22 ARG 73 1HH2 ARG 73 -11.539 -16.528 -4.875 527 H TYR 74 H TYR 74 -6.527 -13.951 -0.708 528 HA TYR 74 HA TYR 74 -4.978 -13.029 1.620 529 HB2 TYR 74 1HB TYR 74 -5.252 -11.653 -1.058 530 HB3 TYR 74 2HB TYR 74 -4.571 -10.895 0.377 531 HD1 TYR 74 1HD TYR 74 -2.749 -12.645 1.544 532 HD2 TYR 74 2HD TYR 74 -3.662 -12.274 -2.595 533 HE1 TYR 74 1HE TYR 74 -0.536 -13.559 0.981 534 HE2 TYR 74 2HE TYR 74 -1.451 -13.189 -3.170 535 HH TYR 74 HH TYR 74 0.736 -13.464 -2.200 536 H THR 75 H THR 75 -5.861 -11.289 2.786 537 HA THR 75 HA THR 75 -8.431 -10.199 2.031 538 HB THR 75 HB THR 75 -9.081 -12.336 3.079 539 HG1 THR 75 1HG THR 75 -10.109 -10.066 3.500 540 HG21 THR 75 3HG2 THR 75 -7.016 -11.686 4.900 541 HG22 THR 75 1HG2 THR 75 -8.038 -13.122 4.884 542 HG23 THR 75 2HG2 THR 75 -8.525 -11.703 5.810 543 H VAL 76 H VAL 76 -9.099 -8.439 3.372 544 HA VAL 76 HA VAL 76 -6.941 -7.381 5.081 545 HB VAL 76 HB VAL 76 -7.769 -5.102 4.433 546 HG11 VAL 76 1HG1 VAL 76 -5.887 -6.618 3.290 547 HG12 VAL 76 2HG1 VAL 76 -6.936 -6.368 1.893 548 HG13 VAL 76 3HG1 VAL 76 -6.258 -4.981 2.748 549 HG21 VAL 76 3HG2 VAL 76 -9.913 -6.428 3.399 550 HG22 VAL 76 1HG2 VAL 76 -9.463 -4.771 2.998 551 HG23 VAL 76 2HG2 VAL 76 -8.965 -6.098 1.949 552 H GLY 77 H GLY 77 -7.912 -8.261 6.957 553 HA2 GLY 77 1HA GLY 77 -9.316 -8.276 8.777 554 HA3 GLY 77 2HA GLY 77 -9.538 -6.570 8.417 555 H GLY 78 H GLY 78 -10.471 -8.850 6.003 556 HA2 GLY 78 1HA GLY 78 -13.298 -8.482 6.785 557 HA3 GLY 78 2HA GLY 78 -12.758 -8.347 5.117 558 H LEU 79 H LEU 79 -14.772 -10.123 6.159 559 HA LEU 79 HA LEU 79 -13.727 -12.752 6.425 560 HB2 LEU 79 1HB LEU 79 -16.416 -11.546 6.040 561 HB3 LEU 79 2HB LEU 79 -16.221 -13.264 5.695 562 HG LEU 79 HG LEU 79 -15.309 -13.504 8.041 563 HD11 LEU 79 1HD1 LEU 79 -15.749 -11.784 9.639 564 HD12 LEU 79 2HD1 LEU 79 -16.555 -10.789 8.426 565 HD13 LEU 79 3HD1 LEU 79 -14.818 -11.075 8.320 566 HD21 LEU 79 3HD2 LEU 79 -17.531 -14.247 7.514 567 HD22 LEU 79 1HD2 LEU 79 -18.154 -12.600 7.618 568 HD23 LEU 79 2HD2 LEU 79 -17.569 -13.415 9.069 569 H GLU 80 H GLU 80 -13.990 -10.714 3.780 570 HA GLU 80 HA GLU 80 -14.535 -12.714 1.783 571 HB2 GLU 80 1HB GLU 80 -13.893 -9.808 1.787 572 HB3 GLU 80 2HB GLU 80 -13.555 -10.713 0.318 573 HG2 GLU 80 1HG GLU 80 -16.225 -11.024 1.579 574 HG3 GLU 80 2HG GLU 80 -15.871 -9.529 0.714 575 H THR 81 H THR 81 -12.845 -12.593 -0.177 576 HA THR 81 HA THR 81 -10.090 -12.638 0.688 577 HB THR 81 HB THR 81 -9.625 -14.938 0.191 578 HG1 THR 81 1HG THR 81 -10.915 -15.936 -1.146 579 HG21 THR 81 3HG2 THR 81 -12.075 -14.758 1.950 580 HG22 THR 81 1HG2 THR 81 -10.411 -14.488 2.464 581 HG23 THR 81 2HG2 THR 81 -10.920 -16.089 1.928 582 H PHE 82 H PHE 82 -8.655 -13.420 -1.185 583 HA PHE 82 HA PHE 82 -9.837 -12.994 -3.811 584 HB2 PHE 82 1HB PHE 82 -7.532 -11.302 -2.823 585 HB3 PHE 82 2HB PHE 82 -8.257 -11.242 -4.425 586 HD1 PHE 82 2HD PHE 82 -8.834 -10.536 -0.853 587 HD2 PHE 82 1HD PHE 82 -10.218 -9.994 -4.841 588 HE1 PHE 82 2HE PHE 82 -10.422 -8.830 -0.066 589 HE2 PHE 82 1HE PHE 82 -11.808 -8.285 -4.060 590 HZ PHE 82 HZ PHE 82 -11.912 -7.702 -1.669 591 H ASP 83 H ASP 83 -8.783 -14.050 -5.428 592 HA ASP 83 HA ASP 83 -7.278 -16.257 -5.001 593 HB2 ASP 83 1HB ASP 83 -7.378 -14.385 -7.348 594 HB3 ASP 83 2HB ASP 83 -6.317 -15.792 -7.374 595 H SER 84 H SER 84 -5.916 -13.072 -5.846 596 HA SER 84 HA SER 84 -3.626 -13.549 -4.160 597 HB2 SER 84 1HB SER 84 -3.445 -13.680 -7.144 598 HB3 SER 84 2HB SER 84 -2.109 -12.967 -6.239 599 HG SER 84 HG SER 84 -2.329 -15.021 -4.934 600 H LEU 85 H LEU 85 -1.940 -11.634 -4.767 601 HA LEU 85 HA LEU 85 -3.069 -9.284 -3.880 602 HB2 LEU 85 1HB LEU 85 -0.555 -9.972 -5.302 603 HB3 LEU 85 2HB LEU 85 -0.994 -8.269 -5.188 604 HG LEU 85 HG LEU 85 0.552 -8.868 -3.423 605 HD11 LEU 85 1HD1 LEU 85 -1.423 -7.272 -3.071 606 HD12 LEU 85 2HD1 LEU 85 -0.572 -7.865 -1.646 607 HD13 LEU 85 3HD1 LEU 85 -2.122 -8.571 -2.102 608 HD21 LEU 85 3HD2 LEU 85 0.252 -10.592 -1.910 609 HD22 LEU 85 1HD2 LEU 85 -0.335 -11.307 -3.412 610 HD23 LEU 85 2HD2 LEU 85 -1.482 -10.699 -2.217 611 H THR 86 H THR 86 -2.796 -10.490 -7.154 612 HA THR 86 HA THR 86 -3.410 -8.093 -8.512 613 HB THR 86 HB THR 86 -3.924 -10.942 -9.388 614 HG1 THR 86 1HG THR 86 -1.845 -10.989 -9.748 615 HG21 THR 86 3HG2 THR 86 -3.843 -9.970 -11.674 616 HG22 THR 86 1HG2 THR 86 -3.822 -8.361 -10.951 617 HG23 THR 86 2HG2 THR 86 -5.223 -9.410 -10.728 618 H ASP 87 H ASP 87 -5.482 -10.867 -7.660 619 HA ASP 87 HA ASP 87 -7.887 -9.721 -8.566 620 HB2 ASP 87 1HB ASP 87 -7.419 -12.168 -7.990 621 HB3 ASP 87 2HB ASP 87 -7.692 -11.711 -6.311 622 H LEU 88 H LEU 88 -6.251 -9.622 -5.447 623 HA LEU 88 HA LEU 88 -8.362 -8.376 -4.022 624 HB2 LEU 88 1HB LEU 88 -6.437 -9.599 -3.009 625 HB3 LEU 88 2HB LEU 88 -5.408 -8.236 -3.442 626 HG LEU 88 HG LEU 88 -7.805 -7.717 -1.753 627 HD11 LEU 88 1HD1 LEU 88 -6.154 -9.753 -1.016 628 HD12 LEU 88 2HD1 LEU 88 -7.070 -8.738 0.098 629 HD13 LEU 88 3HD1 LEU 88 -5.382 -8.366 -0.248 630 HD21 LEU 88 3HD2 LEU 88 -6.210 -5.965 -2.665 631 HD22 LEU 88 1HD2 LEU 88 -5.013 -6.623 -1.548 632 HD23 LEU 88 2HD2 LEU 88 -6.513 -5.931 -0.927 633 H VAL 89 H VAL 89 -5.228 -6.969 -4.991 634 HA VAL 89 HA VAL 89 -5.833 -4.320 -4.533 635 HB VAL 89 HB VAL 89 -4.077 -5.435 -6.725 636 HG11 VAL 89 1HG1 VAL 89 -3.764 -2.728 -5.487 637 HG12 VAL 89 2HG1 VAL 89 -3.152 -3.330 -7.029 638 HG13 VAL 89 3HG1 VAL 89 -4.868 -2.972 -6.841 639 HG21 VAL 89 3HG2 VAL 89 -3.794 -5.686 -3.999 640 HG22 VAL 89 1HG2 VAL 89 -2.499 -5.815 -5.191 641 HG23 VAL 89 2HG2 VAL 89 -2.799 -4.279 -4.377 642 H GLU 90 H GLU 90 -6.092 -6.023 -7.659 643 HA GLU 90 HA GLU 90 -7.101 -4.035 -9.231 644 HB2 GLU 90 1HB GLU 90 -7.775 -6.972 -9.172 645 HB3 GLU 90 2HB GLU 90 -8.402 -5.892 -10.409 646 HG2 GLU 90 1HG GLU 90 -5.467 -5.992 -9.904 647 HG3 GLU 90 2HG GLU 90 -6.238 -7.277 -10.830 648 H HIS 91 H HIS 91 -9.032 -6.239 -7.206 649 HA HIS 91 HA HIS 91 -11.530 -5.097 -7.767 650 HB2 HIS 91 1HB HIS 91 -11.412 -7.267 -6.736 651 HB3 HIS 91 2HB HIS 91 -10.550 -6.616 -5.345 652 HD1 HIS 91 1HD HIS 91 -13.909 -7.314 -6.605 653 HD2 HIS 91 2HD HIS 91 -12.209 -4.925 -3.661 654 HE1 HIS 91 1HE HIS 91 -15.806 -6.669 -5.085 655 HE2 HIS 91 2HE HIS 91 -14.768 -5.154 -3.360 656 H PHE 92 H PHE 92 -8.940 -4.014 -5.783 657 HA PHE 92 HA PHE 92 -10.636 -2.160 -4.301 658 HB2 PHE 92 1HB PHE 92 -7.857 -3.167 -4.031 659 HB3 PHE 92 2HB PHE 92 -8.160 -1.525 -3.473 660 HD1 PHE 92 2HD PHE 92 -10.685 -1.539 -2.220 661 HD2 PHE 92 1HD PHE 92 -7.759 -4.630 -2.276 662 HE1 PHE 92 2HE PHE 92 -11.584 -2.424 -0.107 663 HE2 PHE 92 1HE PHE 92 -8.654 -5.520 -0.164 664 HZ PHE 92 HZ PHE 92 -10.568 -4.416 0.925 665 H LYS 93 H LYS 93 -8.729 -2.260 -7.115 666 HA LYS 93 HA LYS 93 -7.959 0.494 -7.187 667 HB2 LYS 93 1HB LYS 93 -8.142 -1.558 -9.400 668 HB3 LYS 93 2HB LYS 93 -7.398 0.027 -9.555 669 HG2 LYS 93 1HG LYS 93 -5.990 -0.826 -7.489 670 HG3 LYS 93 2HG LYS 93 -6.425 -2.401 -8.156 671 HD2 LYS 93 1HD LYS 93 -5.280 -0.236 -9.889 672 HD3 LYS 93 2HD LYS 93 -4.237 -1.304 -8.947 673 HE2 LYS 93 1HE LYS 93 -4.966 -3.213 -10.111 674 HE3 LYS 93 2HE LYS 93 -6.359 -2.371 -10.787 675 HZ1 LYS 93 3HZ LYS 93 -4.698 -2.625 -12.471 676 HZ2 LYS 93 1HZ LYS 93 -3.508 -1.930 -11.490 677 HZ3 LYS 93 2HZ LYS 93 -4.788 -0.986 -12.064 678 H LYS 94 H LYS 94 -10.836 -1.229 -7.891 679 HA LYS 94 HA LYS 94 -11.916 1.035 -9.423 680 HB2 LYS 94 1HB LYS 94 -13.815 -0.592 -9.894 681 HB3 LYS 94 2HB LYS 94 -12.261 -0.971 -10.624 682 HG2 LYS 94 1HG LYS 94 -11.826 -2.572 -8.804 683 HG3 LYS 94 2HG LYS 94 -13.430 -2.228 -8.151 684 HD2 LYS 94 1HD LYS 94 -14.154 -2.824 -10.633 685 HD3 LYS 94 2HD LYS 94 -12.647 -3.743 -10.586 686 HE2 LYS 94 1HE LYS 94 -14.139 -5.312 -9.820 687 HE3 LYS 94 2HE LYS 94 -13.597 -4.600 -8.302 688 HZ1 LYS 94 3HZ LYS 94 -16.108 -3.976 -9.756 689 HZ2 LYS 94 1HZ LYS 94 -15.571 -3.146 -8.384 690 HZ3 LYS 94 2HZ LYS 94 -15.966 -4.787 -8.278 691 H THR 95 H THR 95 -12.484 -0.995 -6.595 692 HA THR 95 HA THR 95 -14.827 0.535 -5.823 693 HB THR 95 HB THR 95 -14.906 -0.962 -3.861 694 HG1 THR 95 1HG THR 95 -13.323 -2.827 -4.123 695 HG21 THR 95 3HG2 THR 95 -14.765 -2.051 -6.636 696 HG22 THR 95 1HG2 THR 95 -16.157 -1.870 -5.569 697 HG23 THR 95 2HG2 THR 95 -14.994 -3.165 -5.289 698 H GLY 96 H GLY 96 -11.741 -0.290 -4.214 699 HA2 GLY 96 1HA GLY 96 -10.304 1.405 -3.296 700 HA3 GLY 96 2HA GLY 96 -11.717 2.429 -3.085 701 H ILE 97 H ILE 97 -9.743 1.771 -1.100 702 HA ILE 97 HA ILE 97 -11.164 -0.020 0.724 703 HB ILE 97 HB ILE 97 -8.465 1.304 1.022 704 HG12 ILE 97 1HG1 ILE 97 -8.851 -1.640 0.718 705 HG13 ILE 97 2HG1 ILE 97 -8.970 -0.633 -0.720 706 HG21 ILE 97 1HG2 ILE 97 -9.342 0.932 3.195 707 HG22 ILE 97 2HG2 ILE 97 -9.941 -0.666 2.752 708 HG23 ILE 97 3HG2 ILE 97 -8.206 -0.378 2.878 709 HD11 ILE 97 3HD1 ILE 97 -6.630 -1.398 0.860 710 HD12 ILE 97 1HD1 ILE 97 -6.765 -0.970 -0.844 711 HD13 ILE 97 2HD1 ILE 97 -6.677 0.298 0.380 712 H GLU 98 H GLU 98 -11.920 0.615 2.733 713 HA GLU 98 HA GLU 98 -12.148 3.526 3.121 714 HB2 GLU 98 1HB GLU 98 -14.328 2.751 2.735 715 HB3 GLU 98 2HB GLU 98 -14.068 1.283 3.666 716 HG2 GLU 98 1HG GLU 98 -14.129 2.492 5.723 717 HG3 GLU 98 2HG GLU 98 -14.149 4.036 4.873 718 H GLU 99 H GLU 99 -10.573 4.024 4.541 719 HA GLU 99 HA GLU 99 -9.744 2.314 6.658 720 HB2 GLU 99 1HB GLU 99 -9.268 5.274 6.268 721 HB3 GLU 99 2HB GLU 99 -8.421 4.249 7.417 722 HG2 GLU 99 1HG GLU 99 -7.399 3.002 5.656 723 HG3 GLU 99 2HG GLU 99 -8.385 3.814 4.441 724 H ALA 100 H ALA 100 -10.209 2.359 8.822 725 HA ALA 100 HA ALA 100 -12.722 2.898 9.721 726 HB1 ALA 100 1HB ALA 100 -11.209 3.351 11.980 727 HB2 ALA 100 2HB ALA 100 -11.758 1.782 11.393 728 HB3 ALA 100 3HB ALA 100 -10.151 2.369 10.967 729 H SER 101 H SER 101 -9.913 5.034 10.265 730 HA SER 101 HA SER 101 -11.020 7.122 11.559 731 HB2 SER 101 1HB SER 101 -9.080 7.238 9.242 732 HB3 SER 101 2HB SER 101 -9.451 8.618 10.276 733 HG SER 101 HG SER 101 -8.004 7.847 11.572 734 H GLY 102 H GLY 102 -11.681 6.179 8.281 735 HA2 GLY 102 1HA GLY 102 -13.846 6.818 7.368 736 HA3 GLY 102 2HA GLY 102 -13.619 8.399 8.102 737 H ALA 103 H ALA 103 -11.103 6.664 6.381 738 HA ALA 103 HA ALA 103 -11.176 8.762 4.316 739 HB1 ALA 103 1HB ALA 103 -8.729 7.994 3.981 740 HB2 ALA 103 2HB ALA 103 -9.126 9.010 5.368 741 HB3 ALA 103 3HB ALA 103 -8.910 7.273 5.581 742 H PHE 104 H PHE 104 -10.683 8.170 2.140 743 HA PHE 104 HA PHE 104 -11.127 5.320 1.544 744 HB2 PHE 104 1HB PHE 104 -12.496 7.741 0.500 745 HB3 PHE 104 2HB PHE 104 -12.152 6.459 -0.657 746 HD1 PHE 104 2HD PHE 104 -13.222 4.291 -0.469 747 HD2 PHE 104 1HD PHE 104 -14.087 7.424 2.279 748 HE1 PHE 104 2HE PHE 104 -15.217 3.069 0.293 749 HE2 PHE 104 1HE PHE 104 -16.083 6.208 3.045 750 HZ PHE 104 HZ PHE 104 -16.652 4.027 2.051 751 H VAL 105 H VAL 105 -9.229 4.576 0.840 752 HA VAL 105 HA VAL 105 -7.373 6.246 -0.604 753 HB VAL 105 HB VAL 105 -7.293 3.320 0.133 754 HG11 VAL 105 1HG1 VAL 105 -4.830 3.584 -0.511 755 HG12 VAL 105 2HG1 VAL 105 -6.002 3.418 -1.819 756 HG13 VAL 105 3HG1 VAL 105 -5.350 5.006 -1.414 757 HG21 VAL 105 3HG2 VAL 105 -5.359 4.214 1.559 758 HG22 VAL 105 1HG2 VAL 105 -6.048 5.810 1.254 759 HG23 VAL 105 2HG2 VAL 105 -7.003 4.580 2.083 760 H TYR 106 H TYR 106 -6.813 6.123 -2.743 761 HA TYR 106 HA TYR 106 -8.458 4.364 -4.438 762 HB2 TYR 106 1HB TYR 106 -7.593 7.193 -5.068 763 HB3 TYR 106 2HB TYR 106 -8.531 6.141 -6.123 764 HD1 TYR 106 1HD TYR 106 -10.263 4.984 -3.831 765 HD2 TYR 106 2HD TYR 106 -9.223 8.950 -4.964 766 HE1 TYR 106 1HE TYR 106 -12.342 5.813 -2.812 767 HE2 TYR 106 2HE TYR 106 -11.298 9.792 -3.948 768 HH TYR 106 HH TYR 106 -13.170 8.007 -1.844 769 H LEU 107 H LEU 107 -7.419 3.213 -5.963 770 HA LEU 107 HA LEU 107 -4.525 3.668 -6.252 771 HB2 LEU 107 1HB LEU 107 -5.923 1.094 -6.889 772 HB3 LEU 107 2HB LEU 107 -4.212 1.369 -6.568 773 HG LEU 107 HG LEU 107 -5.183 2.059 -4.183 774 HD11 LEU 107 1HD1 LEU 107 -7.499 1.733 -4.680 775 HD12 LEU 107 2HD1 LEU 107 -6.985 0.448 -3.587 776 HD13 LEU 107 3HD1 LEU 107 -7.189 0.113 -5.306 777 HD21 LEU 107 3HD2 LEU 107 -5.082 -0.710 -3.983 778 HD22 LEU 107 1HD2 LEU 107 -3.735 0.414 -3.801 779 HD23 LEU 107 2HD2 LEU 107 -4.058 -0.328 -5.368 780 H ARG 108 H ARG 108 -4.432 4.991 -8.011 781 HA ARG 108 HA ARG 108 -5.945 4.314 -10.406 782 HB2 ARG 108 1HB ARG 108 -4.062 6.620 -9.873 783 HB3 ARG 108 2HB ARG 108 -5.073 6.429 -11.299 784 HG2 ARG 108 1HG ARG 108 -6.988 6.301 -9.483 785 HG3 ARG 108 2HG ARG 108 -5.811 7.214 -8.537 786 HD2 ARG 108 1HD ARG 108 -7.260 8.753 -9.689 787 HD3 ARG 108 2HD ARG 108 -5.645 8.842 -10.393 788 HE ARG 108 HE ARG 108 -6.522 8.127 -12.375 789 HH11 ARG 108 2HH1 ARG 108 -8.752 7.349 -9.817 790 HH12 ARG 108 1HH1 ARG 108 -9.995 6.799 -10.892 791 HH21 ARG 108 2HH2 ARG 108 -8.151 7.405 -13.799 792 HH22 ARG 108 1HH2 ARG 108 -9.651 6.830 -13.156 793 H GLN 109 H GLN 109 -2.546 4.807 -9.467 794 HA GLN 109 HA GLN 109 -1.766 2.880 -11.529 795 HB2 GLN 109 1HB GLN 109 0.029 4.285 -12.335 796 HB3 GLN 109 2HB GLN 109 -1.496 5.148 -12.486 797 HG2 GLN 109 1HG GLN 109 0.180 5.554 -10.055 798 HG3 GLN 109 2HG GLN 109 0.626 6.348 -11.565 799 HE21 GLN 109 1HE2 GLN 109 -0.328 7.441 -9.001 800 HE22 GLN 109 2HE2 GLN 109 -1.717 8.390 -9.391 801 HA PRO 110 HA PRO 110 0.754 1.270 -8.301 802 HB2 PRO 110 1HB PRO 110 2.546 -0.113 -9.799 803 HB3 PRO 110 2HB PRO 110 0.879 -0.648 -9.559 804 HG2 PRO 110 1HG PRO 110 2.088 0.800 -11.884 805 HG3 PRO 110 2HG PRO 110 0.946 -0.557 -11.882 806 HD2 PRO 110 1HD PRO 110 0.167 2.004 -12.291 807 HD3 PRO 110 2HD PRO 110 -0.868 0.809 -11.483 808 H TYR 111 H TYR 111 3.424 0.749 -8.341 809 HA TYR 111 HA TYR 111 4.746 3.286 -8.992 810 HB2 TYR 111 1HB TYR 111 4.149 3.472 -6.653 811 HB3 TYR 111 2HB TYR 111 4.834 1.887 -6.313 812 HD1 TYR 111 1HD TYR 111 5.643 5.377 -7.194 813 HD2 TYR 111 2HD TYR 111 7.178 1.605 -5.957 814 HE1 TYR 111 1HE TYR 111 7.807 6.429 -6.687 815 HE2 TYR 111 2HE TYR 111 9.345 2.649 -5.446 816 HH TYR 111 HH TYR 111 10.558 4.947 -6.428 817 H TYR 112 H TYR 112 6.569 2.962 -10.071 818 HA TYR 112 HA TYR 112 7.856 0.321 -9.884 819 HB2 TYR 112 1HB TYR 112 8.224 2.273 -12.147 820 HB3 TYR 112 2HB TYR 112 8.570 0.548 -12.128 821 HD1 TYR 112 1HD TYR 112 6.180 -0.700 -11.172 822 HD2 TYR 112 2HD TYR 112 6.565 2.706 -13.692 823 HE1 TYR 112 1HE TYR 112 3.958 -1.160 -12.123 824 HE2 TYR 112 2HE TYR 112 4.345 2.256 -14.649 825 HH TYR 112 HH TYR 112 2.835 0.262 -14.936 826 H SER 113 H SER 113 9.922 0.168 -9.247 827 HA SER 113 HA SER 113 11.226 2.539 -8.244 828 HB2 SER 113 1HB SER 113 12.970 0.916 -7.466 829 HB3 SER 113 2HB SER 113 11.344 0.540 -6.893 830 HG SER 113 HG SER 113 12.471 -0.626 -9.215 831 H GLY 114 H GLY 114 12.768 3.686 -9.223 832 HA2 GLY 114 1HA GLY 114 13.977 2.546 -11.667 833 HA3 GLY 114 2HA GLY 114 13.598 4.251 -11.471 834 HA PRO 115 HA PRO 115 18.062 3.264 -10.258 835 HB2 PRO 115 1HB PRO 115 19.270 4.610 -12.284 836 HB3 PRO 115 2HB PRO 115 18.824 2.902 -12.395 837 HG2 PRO 115 1HG PRO 115 17.389 5.307 -13.454 838 HG3 PRO 115 2HG PRO 115 17.676 3.741 -14.235 839 HD2 PRO 115 1HD PRO 115 15.312 4.381 -13.083 840 HD3 PRO 115 2HD PRO 115 15.939 2.721 -13.116 841 H SER 116 H SER 116 19.869 5.084 -10.191 842 HA SER 116 HA SER 116 18.599 7.374 -8.902 843 HB2 SER 116 1HB SER 116 21.328 6.140 -8.795 844 HB3 SER 116 2HB SER 116 21.119 7.819 -8.303 845 HG SER 116 HG SER 116 20.349 5.506 -7.041 846 H SER 117 H SER 117 21.053 6.693 -11.377 847 HA SER 117 HA SER 117 21.059 9.503 -12.170 848 HB2 SER 117 1HB SER 117 23.144 7.909 -11.943 849 HB3 SER 117 2HB SER 117 22.679 7.408 -13.569 850 HG SER 117 HG SER 117 22.835 10.145 -13.016 851 H GLY 118 H GLY 118 20.813 6.358 -13.847 852 HA2 GLY 118 1HA GLY 118 19.076 5.781 -15.357 853 HA3 GLY 118 2HA GLY 118 18.692 7.487 -15.525 854 H1 MET 1 H MET 1 17.704 1.501 18.189 855 HA MET 1 HA MET 1 17.074 3.065 20.595 856 HB2 MET 1 1HB MET 1 19.491 2.555 19.925 857 HB3 MET 1 2HB MET 1 19.244 3.684 18.600 858 HG2 MET 1 1HG MET 1 18.831 4.398 21.489 859 HG3 MET 1 2HG MET 1 20.350 4.634 20.629 860 HE1 MET 1 3HE MET 1 20.335 7.651 20.741 861 HE2 MET 1 1HE MET 1 21.034 6.419 19.691 862 HE3 MET 1 2HE MET 1 20.165 7.783 18.990 863 H ASP 2 H ASP 2 15.087 3.909 19.978 864 HA ASP 2 HA ASP 2 13.663 5.422 19.054 865 HB2 ASP 2 1HB ASP 2 16.227 6.687 18.063 866 HB3 ASP 2 2HB ASP 2 14.641 7.454 18.032 867 H ASN 3 H ASN 3 14.021 3.063 17.652 868 HA ASN 3 HA ASN 3 14.660 3.266 14.957 869 HB2 ASN 3 1HB ASN 3 14.036 1.189 16.381 870 HB3 ASN 3 2HB ASN 3 12.380 1.554 15.909 871 HD21 ASN 3 1HD2 ASN 3 12.314 2.130 13.420 872 HD22 ASN 3 2HD2 ASN 3 13.051 0.936 12.413 873 H GLN 4 H GLN 4 13.702 4.131 13.220 874 HA GLN 4 HA GLN 4 11.441 5.841 13.556 875 HB2 GLN 4 1HB GLN 4 12.834 4.970 11.018 876 HB3 GLN 4 2HB GLN 4 11.699 6.306 11.162 877 HG2 GLN 4 1HG GLN 4 13.200 7.586 12.435 878 HG3 GLN 4 2HG GLN 4 14.247 6.200 12.740 879 HE21 GLN 4 1HE2 GLN 4 13.242 8.581 10.408 880 HE22 GLN 4 2HE2 GLN 4 14.559 8.357 9.312 881 H GLY 5 H GLY 5 9.552 4.824 13.984 882 HA2 GLY 5 1HA GLY 5 8.723 2.673 12.140 883 HA3 GLY 5 2HA GLY 5 8.133 2.859 13.785 884 H VAL 6 H VAL 6 6.703 2.702 11.186 885 HA VAL 6 HA VAL 6 5.291 5.288 11.317 886 HB VAL 6 HB VAL 6 4.710 5.115 9.032 887 HG11 VAL 6 1HG1 VAL 6 7.185 5.586 9.718 888 HG12 VAL 6 2HG1 VAL 6 7.498 4.054 8.900 889 HG13 VAL 6 3HG1 VAL 6 6.760 5.392 8.017 890 HG21 VAL 6 3HG2 VAL 6 4.124 2.762 8.962 891 HG22 VAL 6 1HG2 VAL 6 5.243 3.146 7.653 892 HG23 VAL 6 2HG2 VAL 6 5.824 2.311 9.094 893 H ILE 7 H ILE 7 3.095 5.299 11.537 894 HA ILE 7 HA ILE 7 1.872 2.985 12.657 895 HB ILE 7 HB ILE 7 0.469 5.489 11.727 896 HG12 ILE 7 1HG1 ILE 7 2.436 5.932 13.241 897 HG13 ILE 7 2HG1 ILE 7 0.881 6.459 13.877 898 HG21 ILE 7 1HG2 ILE 7 -0.503 3.107 12.792 899 HG22 ILE 7 2HG2 ILE 7 -0.509 4.245 14.140 900 HG23 ILE 7 3HG2 ILE 7 -1.366 4.638 12.649 901 HD11 ILE 7 3HD1 ILE 7 2.672 5.086 15.303 902 HD12 ILE 7 1HD1 ILE 7 0.934 4.987 15.580 903 HD13 ILE 7 2HD1 ILE 7 1.747 3.744 14.628 904 H PTR 8 H PTR 8 0.305 1.640 11.833 905 HA PTR 8 HA PTR 8 0.043 1.670 8.909 906 HB2 PTR 8 2HB PTR 8 -0.077 -0.503 10.973 907 HB3 PTR 8 3HB PTR 8 -0.851 -0.734 9.409 908 HD1 PTR 8 1HD PTR 8 2.414 0.668 10.594 909 HD2 PTR 8 2HD PTR 8 0.403 -1.991 7.949 910 HE1 PTR 8 1HE PTR 8 4.576 0.002 9.629 911 HE2 PTR 8 2HE PTR 8 2.559 -2.665 6.978 912 H SER 9 H SER 9 -1.739 2.666 8.237 913 HA SER 9 HA SER 9 -3.980 3.332 9.669 914 HB2 SER 9 1HB SER 9 -5.163 3.360 7.407 915 HB3 SER 9 2HB SER 9 -3.691 4.323 7.530 916 HG SER 9 HG SER 9 -2.575 2.644 6.492 917 H ASP 10 H ASP 10 -6.164 2.504 9.648 918 HA ASP 10 HA ASP 10 -6.260 -0.434 9.426 919 HB2 ASP 10 1HB ASP 10 -7.191 1.411 11.560 920 HB3 ASP 10 2HB ASP 10 -8.223 0.031 11.194 921 H LEU 11 H LEU 11 -8.717 -1.136 9.435 922 HA LEU 11 HA LEU 11 -10.032 0.454 7.335 923 HB2 LEU 11 1HB LEU 11 -9.856 -2.483 7.846 924 HB3 LEU 11 2HB LEU 11 -11.240 -1.832 6.971 925 HG LEU 11 HG LEU 11 -9.952 -1.218 5.139 926 HD11 LEU 11 1HD1 LEU 11 -8.236 -0.001 6.412 927 HD12 LEU 11 2HD1 LEU 11 -7.543 -1.001 5.137 928 HD13 LEU 11 3HD1 LEU 11 -7.466 -1.536 6.815 929 HD21 LEU 11 3HD2 LEU 11 -10.138 -3.635 5.295 930 HD22 LEU 11 1HD2 LEU 11 -8.659 -3.706 6.253 931 HD23 LEU 11 2HD2 LEU 11 -8.595 -3.184 4.570 932 H ASN 12 H ASN 12 -12.523 -0.460 7.303 933 HA ASN 12 HA ASN 12 -13.654 0.657 9.696 934 HB2 ASN 12 1HB ASN 12 -15.695 0.679 8.560 935 HB3 ASN 12 2HB ASN 12 -14.520 0.868 7.261 936 HD21 ASN 12 1HD2 ASN 12 -13.848 -1.157 6.172 937 HD22 ASN 12 2HD2 ASN 12 -15.053 -2.368 5.913 938 H LEU 13 H LEU 13 -13.939 -2.506 8.075 939 HA LEU 13 HA LEU 13 -15.512 -3.874 9.809 940 HB2 LEU 13 1HB LEU 13 -13.049 -5.287 8.963 941 HB3 LEU 13 2HB LEU 13 -14.735 -5.794 8.865 942 HG LEU 13 HG LEU 13 -14.812 -3.894 7.016 943 HD11 LEU 13 1HD1 LEU 13 -12.356 -3.392 7.524 944 HD12 LEU 13 2HD1 LEU 13 -12.826 -3.567 5.834 945 HD13 LEU 13 3HD1 LEU 13 -12.005 -4.890 6.661 946 HD21 LEU 13 3HD2 LEU 13 -13.499 -6.355 6.048 947 HD22 LEU 13 1HD2 LEU 13 -15.008 -5.595 5.542 948 HD23 LEU 13 2HD2 LEU 13 -14.964 -6.574 7.007 949 HA PRO 14 HA PRO 14 -11.708 -4.830 12.665 950 HB2 PRO 14 1HB PRO 14 -9.546 -3.216 12.368 951 HB3 PRO 14 2HB PRO 14 -9.747 -4.727 11.474 952 HG2 PRO 14 1HG PRO 14 -10.278 -1.917 10.588 953 HG3 PRO 14 2HG PRO 14 -9.494 -3.240 9.704 954 HD2 PRO 14 1HD PRO 14 -12.075 -2.539 9.286 955 HD3 PRO 14 2HD PRO 14 -11.501 -4.210 9.122 956 HA PRO 15 HA PRO 15 -12.935 -1.679 15.499 957 HB2 PRO 15 1HB PRO 15 -11.407 -2.392 17.626 958 HB3 PRO 15 2HB PRO 15 -12.834 -3.304 17.119 959 HG2 PRO 15 1HG PRO 15 -9.942 -3.852 16.573 960 HG3 PRO 15 2HG PRO 15 -11.227 -4.983 17.035 961 HD2 PRO 15 1HD PRO 15 -10.375 -4.711 14.479 962 HD3 PRO 15 2HD PRO 15 -12.055 -5.116 14.887 Start of MODEL 18 1 H1 GLY 1 H GLY 1 11.496 5.736 -27.531 2 HA2 GLY 1 1HA GLY 1 10.914 3.335 -27.273 3 HA3 GLY 1 2HA GLY 1 12.622 3.549 -27.626 4 H SER 2 H SER 2 10.281 3.064 -25.031 5 HA SER 2 HA SER 2 12.266 1.505 -23.581 6 HB2 SER 2 1HB SER 2 12.208 4.024 -22.829 7 HB3 SER 2 2HB SER 2 10.735 3.533 -21.991 8 HG SER 2 HG SER 2 12.307 1.693 -21.305 9 H SER 3 H SER 3 11.268 -0.376 -23.327 10 HA SER 3 HA SER 3 8.378 -0.402 -22.805 11 HB2 SER 3 1HB SER 3 8.903 -1.756 -24.689 12 HB3 SER 3 2HB SER 3 10.271 -2.501 -23.863 13 HG SER 3 HG SER 3 7.649 -3.197 -23.834 14 H GLY 4 H GLY 4 7.554 -1.134 -20.929 15 HA2 GLY 4 1HA GLY 4 9.402 -2.440 -19.035 16 HA3 GLY 4 2HA GLY 4 8.377 -1.107 -18.524 17 H SER 5 H SER 5 8.658 -4.283 -18.236 18 HA SER 5 HA SER 5 5.742 -4.703 -18.168 19 HB2 SER 5 1HB SER 5 6.079 -7.034 -18.779 20 HB3 SER 5 2HB SER 5 6.820 -5.997 -19.999 21 HG SER 5 HG SER 5 8.780 -6.593 -19.345 22 H SER 6 H SER 6 6.928 -3.668 -15.982 23 HA SER 6 HA SER 6 7.384 -5.933 -14.165 24 HB2 SER 6 1HB SER 6 8.517 -4.426 -12.699 25 HB3 SER 6 2HB SER 6 9.114 -4.084 -14.323 26 HG SER 6 HG SER 6 7.366 -2.580 -12.713 27 H GLY 7 H GLY 7 6.232 -6.120 -12.236 28 HA2 GLY 7 1HA GLY 7 3.566 -4.983 -12.337 29 HA3 GLY 7 2HA GLY 7 4.139 -6.206 -11.214 30 H TRP 8 H TRP 8 3.301 -5.223 -9.392 31 HA TRP 8 HA TRP 8 4.605 -2.692 -8.631 32 HB2 TRP 8 1HB TRP 8 2.413 -2.638 -7.079 33 HB3 TRP 8 2HB TRP 8 2.463 -1.923 -8.688 34 HD1 TRP 8 HD TRP 8 0.361 -2.498 -10.007 35 HE1 TRP 8 1HE TRP 8 -1.222 -4.519 -10.188 36 HE3 TRP 8 3HE TRP 8 2.616 -5.600 -6.626 37 HZ2 TRP 8 2HZ TRP 8 -1.481 -7.088 -9.048 38 HZ3 TRP 8 3HZ TRP 8 1.637 -7.822 -6.229 39 HH2 TRP 8 HH TRP 8 -0.369 -8.549 -7.415 40 H TYR 9 H TYR 9 5.515 -5.418 -8.166 41 HA TYR 9 HA TYR 9 5.175 -5.670 -5.259 42 HB2 TYR 9 1HB TYR 9 4.777 -7.634 -6.888 43 HB3 TYR 9 2HB TYR 9 6.531 -7.697 -7.021 44 HD1 TYR 9 1HD TYR 9 3.695 -8.038 -4.675 45 HD2 TYR 9 2HD TYR 9 7.860 -8.648 -5.295 46 HE1 TYR 9 1HE TYR 9 3.794 -9.401 -2.630 47 HE2 TYR 9 2HE TYR 9 7.970 -10.014 -3.253 48 HH TYR 9 HH TYR 9 6.330 -11.408 -1.880 49 H HIS 10 H HIS 10 6.736 -4.966 -3.975 50 HA HIS 10 HA HIS 10 9.473 -4.781 -5.052 51 HB2 HIS 10 1HB HIS 10 8.198 -2.944 -3.016 52 HB3 HIS 10 2HB HIS 10 9.827 -2.804 -3.671 53 HD1 HIS 10 1HD HIS 10 10.063 -1.286 -5.614 54 HD2 HIS 10 2HD HIS 10 6.153 -2.610 -5.146 55 HE1 HIS 10 1HE HIS 10 8.724 -0.053 -7.348 56 HE2 HIS 10 2HE HIS 10 6.348 -0.807 -6.990 57 H GLY 11 H GLY 11 10.360 -6.611 -4.219 58 HA2 GLY 11 1HA GLY 11 9.851 -7.432 -1.499 59 HA3 GLY 11 2HA GLY 11 10.945 -8.205 -2.637 60 H HIS 12 H HIS 12 11.368 -7.578 0.180 61 HA HIS 12 HA HIS 12 13.106 -6.915 1.497 62 HB2 HIS 12 1HB HIS 12 14.412 -7.635 -0.615 63 HB3 HIS 12 2HB HIS 12 14.557 -5.909 -0.939 64 HD1 HIS 12 1HD HIS 12 16.544 -4.825 0.054 65 HD2 HIS 12 2HD HIS 12 15.506 -8.300 2.080 66 HE1 HIS 12 1HE HIS 12 18.336 -5.153 1.789 67 HE2 HIS 12 2HE HIS 12 17.731 -7.307 2.946 68 H MET 13 H MET 13 11.013 -5.220 1.368 69 HA MET 13 HA MET 13 12.315 -2.635 1.732 70 HB2 MET 13 1HB MET 13 11.344 -2.771 -0.611 71 HB3 MET 13 2HB MET 13 9.758 -2.845 0.145 72 HG2 MET 13 1HG MET 13 9.821 -0.666 0.821 73 HG3 MET 13 2HG MET 13 11.580 -0.628 0.906 74 HE1 MET 13 3HE MET 13 8.486 0.335 -1.064 75 HE2 MET 13 1HE MET 13 8.946 0.157 -2.758 76 HE3 MET 13 2HE MET 13 8.721 -1.273 -1.751 77 H SER 14 H SER 14 11.808 -1.975 3.705 78 HA SER 14 HA SER 14 9.518 -3.062 5.090 79 HB2 SER 14 1HB SER 14 10.383 -1.708 7.010 80 HB3 SER 14 2HB SER 14 11.573 -2.823 6.341 81 HG SER 14 HG SER 14 11.712 -0.157 6.571 82 H GLY 15 H GLY 15 8.469 -1.224 6.639 83 HA2 GLY 15 1HA GLY 15 6.800 0.282 4.906 84 HA3 GLY 15 2HA GLY 15 6.823 0.380 6.661 85 H GLY 16 H GLY 16 9.123 1.397 7.381 86 HA2 GLY 16 1HA GLY 16 9.013 4.081 7.058 87 HA3 GLY 16 2HA GLY 16 10.527 3.235 7.342 88 H GLN 17 H GLN 17 10.630 1.832 4.867 89 HA GLN 17 HA GLN 17 11.787 3.868 3.241 90 HB2 GLN 17 1HB GLN 17 12.351 1.293 3.501 91 HB3 GLN 17 2HB GLN 17 11.229 1.146 2.156 92 HG2 GLN 17 1HG GLN 17 13.282 1.312 1.113 93 HG3 GLN 17 2HG GLN 17 12.663 2.961 1.036 94 HE21 GLN 17 1HE2 GLN 17 15.328 2.465 0.732 95 HE22 GLN 17 2HE2 GLN 17 16.197 3.061 2.101 96 H ALA 18 H ALA 18 9.123 1.579 2.609 97 HA ALA 18 HA ALA 18 8.217 2.427 0.209 98 HB1 ALA 18 1HB ALA 18 6.233 1.952 2.403 99 HB2 ALA 18 2HB ALA 18 6.149 1.483 0.704 100 HB3 ALA 18 3HB ALA 18 7.252 0.647 1.797 101 H GLU 19 H GLU 19 7.531 3.982 3.320 102 HA GLU 19 HA GLU 19 5.716 5.901 2.496 103 HB2 GLU 19 1HB GLU 19 7.701 5.710 4.700 104 HB3 GLU 19 2HB GLU 19 7.026 7.299 4.366 105 HG2 GLU 19 1HG GLU 19 4.745 6.134 4.495 106 HG3 GLU 19 2HG GLU 19 5.623 4.814 5.265 107 H THR 20 H THR 20 9.260 6.054 2.470 108 HA THR 20 HA THR 20 9.438 8.696 1.479 109 HB THR 20 HB THR 20 11.464 6.466 1.206 110 HG1 THR 20 1HG THR 20 12.293 7.283 3.145 111 HG21 THR 20 3HG2 THR 20 12.082 8.216 -0.269 112 HG22 THR 20 1HG2 THR 20 13.063 8.434 1.179 113 HG23 THR 20 2HG2 THR 20 11.653 9.457 0.907 114 H LEU 21 H LEU 21 10.053 5.606 -0.204 115 HA LEU 21 HA LEU 21 10.373 6.533 -2.758 116 HB2 LEU 21 1HB LEU 21 8.914 4.035 -1.911 117 HB3 LEU 21 2HB LEU 21 9.537 4.351 -3.529 118 HG LEU 21 HG LEU 21 11.814 4.611 -2.172 119 HD11 LEU 21 1HD1 LEU 21 9.961 3.228 -0.348 120 HD12 LEU 21 2HD1 LEU 21 11.427 4.145 -0.003 121 HD13 LEU 21 3HD1 LEU 21 11.542 2.474 -0.556 122 HD21 LEU 21 3HD2 LEU 21 12.116 2.103 -2.582 123 HD22 LEU 21 1HD2 LEU 21 11.705 3.116 -3.966 124 HD23 LEU 21 2HD2 LEU 21 10.462 2.134 -3.193 125 H LEU 22 H LEU 22 7.369 6.081 -0.992 126 HA LEU 22 HA LEU 22 5.684 6.590 -3.257 127 HB2 LEU 22 1HB LEU 22 5.240 6.327 -0.308 128 HB3 LEU 22 2HB LEU 22 3.952 6.914 -1.359 129 HG LEU 22 HG LEU 22 5.322 4.266 -1.779 130 HD11 LEU 22 1HD1 LEU 22 2.696 3.950 -0.760 131 HD12 LEU 22 2HD1 LEU 22 3.589 4.995 0.345 132 HD13 LEU 22 3HD1 LEU 22 4.221 3.401 -0.065 133 HD21 LEU 22 3HD2 LEU 22 2.792 5.528 -2.814 134 HD22 LEU 22 1HD2 LEU 22 3.163 3.811 -2.981 135 HD23 LEU 22 2HD2 LEU 22 4.206 5.016 -3.737 136 H GLN 23 H GLN 23 6.292 8.429 -0.257 137 HA GLN 23 HA GLN 23 4.982 10.756 -0.913 138 HB2 GLN 23 1HB GLN 23 7.461 10.285 0.727 139 HB3 GLN 23 2HB GLN 23 6.752 11.885 0.561 140 HG2 GLN 23 1HG GLN 23 4.686 11.110 1.545 141 HG3 GLN 23 2HG GLN 23 5.317 9.466 1.632 142 HE21 GLN 23 1HE2 GLN 23 4.338 10.866 3.837 143 HE22 GLN 23 2HE2 GLN 23 5.643 11.150 4.932 144 H ALA 24 H ALA 24 8.434 10.065 -1.473 145 HA ALA 24 HA ALA 24 9.223 12.365 -2.714 146 HB1 ALA 24 1HB ALA 24 10.715 10.481 -2.211 147 HB2 ALA 24 2HB ALA 24 10.014 9.578 -3.555 148 HB3 ALA 24 3HB ALA 24 10.917 11.062 -3.864 149 H LYS 25 H LYS 25 7.498 9.645 -4.187 150 HA LYS 25 HA LYS 25 7.554 10.530 -6.840 151 HB2 LYS 25 1HB LYS 25 6.856 8.261 -6.126 152 HB3 LYS 25 2HB LYS 25 5.375 8.943 -5.468 153 HG2 LYS 25 1HG LYS 25 4.622 8.218 -7.490 154 HG3 LYS 25 2HG LYS 25 5.100 9.864 -7.915 155 HD2 LYS 25 1HD LYS 25 7.273 9.002 -8.699 156 HD3 LYS 25 2HD LYS 25 6.741 7.362 -8.323 157 HE2 LYS 25 1HE LYS 25 5.025 9.034 -10.086 158 HE3 LYS 25 2HE LYS 25 6.519 8.380 -10.755 159 HZ1 LYS 25 3HZ LYS 25 5.007 6.433 -9.291 160 HZ2 LYS 25 1HZ LYS 25 5.651 6.348 -10.853 161 HZ3 LYS 25 2HZ LYS 25 4.144 7.072 -10.600 162 H GLY 26 H GLY 26 5.479 11.401 -4.151 163 HA2 GLY 26 1HA GLY 26 3.925 13.073 -3.909 164 HA3 GLY 26 2HA GLY 26 4.709 13.855 -5.274 165 H GLU 27 H GLU 27 3.364 10.679 -5.648 166 HA GLU 27 HA GLU 27 1.294 11.823 -7.390 167 HB2 GLU 27 1HB GLU 27 2.858 9.287 -7.416 168 HB3 GLU 27 2HB GLU 27 1.227 9.250 -8.071 169 HG2 GLU 27 1HG GLU 27 1.987 11.313 -9.433 170 HG3 GLU 27 2HG GLU 27 3.613 10.758 -9.039 171 HA PRO 28 HA PRO 28 -1.613 10.629 -4.224 172 HB2 PRO 28 1HB PRO 28 -3.818 11.496 -5.548 173 HB3 PRO 28 2HB PRO 28 -2.711 12.589 -4.708 174 HG2 PRO 28 1HG PRO 28 -2.872 11.931 -7.624 175 HG3 PRO 28 2HG PRO 28 -2.642 13.506 -6.843 176 HD2 PRO 28 1HD PRO 28 -0.592 12.096 -7.913 177 HD3 PRO 28 2HD PRO 28 -0.393 13.145 -6.495 178 H TRP 29 H TRP 29 -2.848 8.850 -3.887 179 HA TRP 29 HA TRP 29 -3.937 6.885 -4.258 180 HB2 TRP 29 1HB TRP 29 -4.223 7.637 -7.161 181 HB3 TRP 29 2HB TRP 29 -5.280 6.623 -6.183 182 HD1 TRP 29 HD TRP 29 -5.658 9.661 -7.814 183 HE1 TRP 29 1HE TRP 29 -7.112 11.364 -6.546 184 HE3 TRP 29 3HE TRP 29 -5.476 7.571 -3.152 185 HZ2 TRP 29 2HZ TRP 29 -8.056 11.769 -3.916 186 HZ3 TRP 29 3HZ TRP 29 -6.682 8.679 -1.315 187 HH2 TRP 29 HH TRP 29 -7.944 10.735 -1.691 188 H THR 30 H THR 30 -1.073 7.129 -4.550 189 HA THR 30 HA THR 30 -0.410 5.241 -6.679 190 HB THR 30 HB THR 30 1.382 6.740 -4.758 191 HG1 THR 30 1HG THR 30 0.383 8.034 -6.389 192 HG21 THR 30 3HG2 THR 30 1.917 4.417 -6.282 193 HG22 THR 30 1HG2 THR 30 3.058 5.412 -5.379 194 HG23 THR 30 2HG2 THR 30 2.733 5.763 -7.077 195 H PHE 31 H PHE 31 -0.918 3.202 -6.112 196 HA PHE 31 HA PHE 31 -0.357 2.265 -3.407 197 HB2 PHE 31 1HB PHE 31 -1.698 0.369 -3.917 198 HB3 PHE 31 2HB PHE 31 -2.531 1.756 -4.609 199 HD1 PHE 31 1HD PHE 31 -2.247 2.207 -7.087 200 HD2 PHE 31 2HD PHE 31 -1.103 -1.454 -5.242 201 HE1 PHE 31 1HE PHE 31 -2.282 1.095 -9.281 202 HE2 PHE 31 2HE PHE 31 -1.134 -2.572 -7.433 203 HZ PHE 31 HZ PHE 31 -1.724 -1.297 -9.456 204 H LEU 32 H LEU 32 0.725 0.165 -3.113 205 HA LEU 32 HA LEU 32 2.366 -0.918 -5.174 206 HB2 LEU 32 1HB LEU 32 4.460 -0.144 -4.630 207 HB3 LEU 32 2HB LEU 32 3.473 1.300 -4.413 208 HG LEU 32 HG LEU 32 3.411 0.538 -1.916 209 HD11 LEU 32 1HD1 LEU 32 5.256 -1.343 -3.097 210 HD12 LEU 32 2HD1 LEU 32 4.555 -1.314 -1.479 211 HD13 LEU 32 3HD1 LEU 32 6.024 -0.400 -1.820 212 HD21 LEU 32 3HD2 LEU 32 6.102 1.522 -2.601 213 HD22 LEU 32 1HD2 LEU 32 4.879 2.202 -1.526 214 HD23 LEU 32 2HD2 LEU 32 4.753 2.442 -3.269 215 H VAL 33 H VAL 33 3.121 -2.920 -4.639 216 HA VAL 33 HA VAL 33 2.372 -3.903 -1.978 217 HB VAL 33 HB VAL 33 3.125 -5.578 -4.369 218 HG11 VAL 33 1HG1 VAL 33 2.063 -7.369 -3.204 219 HG12 VAL 33 2HG1 VAL 33 3.188 -6.598 -2.085 220 HG13 VAL 33 3HG1 VAL 33 1.458 -6.276 -1.959 221 HG21 VAL 33 3HG2 VAL 33 0.493 -5.870 -4.334 222 HG22 VAL 33 1HG2 VAL 33 0.567 -4.233 -3.683 223 HG23 VAL 33 2HG2 VAL 33 1.271 -4.588 -5.260 224 H ARG 34 H ARG 34 3.787 -5.273 -0.796 225 HA ARG 34 HA ARG 34 6.491 -5.698 -1.616 226 HB2 ARG 34 1HB ARG 34 7.521 -4.335 0.204 227 HB3 ARG 34 2HB ARG 34 6.765 -3.377 -1.062 228 HG2 ARG 34 1HG ARG 34 4.783 -3.096 0.382 229 HG3 ARG 34 2HG ARG 34 5.628 -3.971 1.661 230 HD2 ARG 34 1HD ARG 34 7.468 -2.227 1.410 231 HD3 ARG 34 2HD ARG 34 6.311 -1.304 0.451 232 HE ARG 34 HE ARG 34 5.307 -0.677 2.395 233 HH11 ARG 34 2HH1 ARG 34 7.098 -3.605 2.976 234 HH12 ARG 34 1HH1 ARG 34 6.772 -3.622 4.678 235 HH21 ARG 34 2HH2 ARG 34 4.871 -0.688 4.634 236 HH22 ARG 34 1HH2 ARG 34 5.505 -1.963 5.620 237 H GLU 35 H GLU 35 6.927 -7.632 -0.808 238 HA GLU 35 HA GLU 35 5.505 -9.136 0.916 239 HB2 GLU 35 1HB GLU 35 7.801 -9.556 -0.368 240 HB3 GLU 35 2HB GLU 35 8.459 -9.312 1.244 241 HG2 GLU 35 1HG GLU 35 6.544 -11.049 1.859 242 HG3 GLU 35 2HG GLU 35 6.808 -11.522 0.181 243 H SER 36 H SER 36 5.608 -9.683 3.141 244 HA SER 36 HA SER 36 5.893 -7.408 4.853 245 HB2 SER 36 1HB SER 36 4.184 -9.326 5.053 246 HB3 SER 36 2HB SER 36 5.493 -10.241 5.803 247 HG SER 36 HG SER 36 5.324 -9.060 7.547 248 H LEU 37 H LEU 37 7.151 -7.449 6.873 249 HA LEU 37 HA LEU 37 9.847 -8.431 6.344 250 HB2 LEU 37 1HB LEU 37 8.650 -6.298 8.011 251 HB3 LEU 37 2HB LEU 37 10.130 -7.043 8.613 252 HG LEU 37 HG LEU 37 10.406 -4.914 7.283 253 HD11 LEU 37 1HD1 LEU 37 11.904 -7.331 7.268 254 HD12 LEU 37 2HD1 LEU 37 12.482 -5.670 7.137 255 HD13 LEU 37 3HD1 LEU 37 12.046 -6.570 5.683 256 HD21 LEU 37 3HD2 LEU 37 10.475 -5.413 4.756 257 HD22 LEU 37 1HD2 LEU 37 8.914 -5.080 5.507 258 HD23 LEU 37 2HD2 LEU 37 9.379 -6.742 5.143 259 H SER 38 H SER 38 7.568 -8.364 9.087 260 HA SER 38 HA SER 38 9.036 -10.518 10.380 261 HB2 SER 38 1HB SER 38 7.911 -8.402 11.494 262 HB3 SER 38 2HB SER 38 6.476 -9.425 11.477 263 HG SER 38 HG SER 38 7.276 -10.393 13.147 264 H GLN 39 H GLN 39 5.546 -9.987 9.899 265 HA GLN 39 HA GLN 39 4.676 -12.558 10.187 266 HB2 GLN 39 1HB GLN 39 3.623 -10.530 8.207 267 HB3 GLN 39 2HB GLN 39 2.755 -11.955 8.764 268 HG2 GLN 39 1HG GLN 39 2.959 -11.023 11.095 269 HG3 GLN 39 2HG GLN 39 3.541 -9.533 10.356 270 HE21 GLN 39 1HE2 GLN 39 1.361 -9.349 11.869 271 HE22 GLN 39 2HE2 GLN 39 -0.056 -9.130 10.906 272 HA PRO 40 HA PRO 40 6.924 -14.428 6.751 273 HB2 PRO 40 1HB PRO 40 6.517 -16.978 7.590 274 HB3 PRO 40 2HB PRO 40 7.772 -15.932 8.267 275 HG2 PRO 40 1HG PRO 40 5.055 -16.574 9.348 276 HG3 PRO 40 2HG PRO 40 6.604 -16.470 10.204 277 HD2 PRO 40 1HD PRO 40 4.780 -14.470 10.244 278 HD3 PRO 40 2HD PRO 40 6.529 -14.170 10.321 279 H GLY 41 H GLY 41 5.763 -14.274 4.911 280 HA2 GLY 41 1HA GLY 41 4.476 -15.519 3.302 281 HA3 GLY 41 2HA GLY 41 3.469 -16.098 4.621 282 H ASP 42 H ASP 42 3.113 -13.553 5.891 283 HA ASP 42 HA ASP 42 0.846 -12.637 4.501 284 HB2 ASP 42 1HB ASP 42 2.439 -11.432 6.765 285 HB3 ASP 42 2HB ASP 42 0.954 -10.711 6.148 286 H PHE 43 H PHE 43 0.580 -10.184 4.046 287 HA PHE 43 HA PHE 43 2.948 -9.120 2.679 288 HB2 PHE 43 1HB PHE 43 0.194 -9.390 1.454 289 HB3 PHE 43 2HB PHE 43 1.528 -8.492 0.735 290 HD1 PHE 43 1HD PHE 43 0.445 -11.868 1.792 291 HD2 PHE 43 2HD PHE 43 3.161 -9.575 -0.548 292 HE1 PHE 43 1HE PHE 43 1.231 -13.925 0.695 293 HE2 PHE 43 2HE PHE 43 3.950 -11.628 -1.651 294 HZ PHE 43 HZ PHE 43 2.985 -13.807 -1.031 295 H VAL 44 H VAL 44 2.447 -6.808 1.872 296 HA VAL 44 HA VAL 44 0.643 -5.399 3.704 297 HB VAL 44 HB VAL 44 3.581 -4.810 3.359 298 HG11 VAL 44 1HG1 VAL 44 3.134 -2.642 3.551 299 HG12 VAL 44 2HG1 VAL 44 1.410 -2.965 3.746 300 HG13 VAL 44 3HG1 VAL 44 2.474 -2.968 5.153 301 HG21 VAL 44 3HG2 VAL 44 2.427 -6.411 5.164 302 HG22 VAL 44 1HG2 VAL 44 3.846 -5.429 5.525 303 HG23 VAL 44 2HG2 VAL 44 2.241 -4.870 5.998 304 H LEU 45 H LEU 45 -0.367 -3.670 2.822 305 HA LEU 45 HA LEU 45 0.421 -2.919 0.085 306 HB2 LEU 45 1HB LEU 45 -1.688 -4.016 0.016 307 HB3 LEU 45 2HB LEU 45 -2.291 -3.075 1.379 308 HG LEU 45 HG LEU 45 -2.022 -1.044 -0.191 309 HD11 LEU 45 1HD1 LEU 45 -2.108 -1.467 -2.531 310 HD12 LEU 45 2HD1 LEU 45 -2.214 -3.209 -2.274 311 HD13 LEU 45 3HD1 LEU 45 -0.723 -2.350 -1.886 312 HD21 LEU 45 3HD2 LEU 45 -4.208 -1.412 0.269 313 HD22 LEU 45 1HD2 LEU 45 -4.115 -3.129 -0.120 314 HD23 LEU 45 2HD2 LEU 45 -4.229 -1.938 -1.415 315 H SER 46 H SER 46 1.101 -0.904 -0.178 316 HA SER 46 HA SER 46 0.309 1.114 1.820 317 HB2 SER 46 1HB SER 46 2.861 1.148 0.200 318 HB3 SER 46 2HB SER 46 2.450 2.160 1.584 319 HG SER 46 HG SER 46 2.731 -0.662 1.686 320 H VAL 47 H VAL 47 -0.336 3.118 1.120 321 HA VAL 47 HA VAL 47 -0.318 3.675 -1.752 322 HB VAL 47 HB VAL 47 -2.819 3.692 -0.059 323 HG11 VAL 47 1HG1 VAL 47 -3.302 5.487 -1.348 324 HG12 VAL 47 2HG1 VAL 47 -2.132 5.047 -2.592 325 HG13 VAL 47 3HG1 VAL 47 -3.701 4.243 -2.531 326 HG21 VAL 47 3HG2 VAL 47 -2.054 1.491 -0.973 327 HG22 VAL 47 1HG2 VAL 47 -3.642 2.008 -1.541 328 HG23 VAL 47 2HG2 VAL 47 -2.235 2.165 -2.592 329 H LEU 48 H LEU 48 -0.282 5.837 -2.275 330 HA LEU 48 HA LEU 48 0.215 7.651 -0.034 331 HB2 LEU 48 1HB LEU 48 1.852 7.386 -1.928 332 HB3 LEU 48 2HB LEU 48 0.660 8.166 -2.965 333 HG LEU 48 HG LEU 48 0.795 10.176 -1.500 334 HD11 LEU 48 1HD1 LEU 48 2.749 10.356 -0.001 335 HD12 LEU 48 2HD1 LEU 48 3.064 8.638 -0.247 336 HD13 LEU 48 3HD1 LEU 48 1.574 9.157 0.541 337 HD21 LEU 48 3HD2 LEU 48 3.082 9.121 -3.086 338 HD22 LEU 48 1HD2 LEU 48 3.290 10.631 -2.197 339 HD23 LEU 48 2HD2 LEU 48 2.017 10.491 -3.409 340 H SER 49 H SER 49 -1.788 8.278 0.663 341 HA SER 49 HA SER 49 -4.005 8.866 -0.919 342 HB2 SER 49 1HB SER 49 -4.711 10.291 1.090 343 HB3 SER 49 2HB SER 49 -4.383 8.588 1.401 344 HG SER 49 HG SER 49 -2.102 9.892 1.671 345 H ASP 50 H ASP 50 -4.887 10.800 -1.684 346 HA ASP 50 HA ASP 50 -2.995 12.665 -2.710 347 HB2 ASP 50 1HB ASP 50 -4.720 13.485 -3.991 348 HB3 ASP 50 2HB ASP 50 -5.358 11.887 -3.617 349 H GLN 51 H GLN 51 -4.328 12.380 0.301 350 HA GLN 51 HA GLN 51 -4.686 15.198 0.844 351 HB2 GLN 51 1HB GLN 51 -4.670 12.836 2.730 352 HB3 GLN 51 2HB GLN 51 -5.160 14.474 3.141 353 HG2 GLN 51 1HG GLN 51 -7.145 14.313 2.029 354 HG3 GLN 51 2HG GLN 51 -6.534 13.119 0.884 355 HE21 GLN 51 1HE2 GLN 51 -8.026 11.555 1.122 356 HE22 GLN 51 2HE2 GLN 51 -8.334 10.712 2.598 357 HA PRO 52 HA PRO 52 -0.299 15.649 1.623 358 HB2 PRO 52 1HB PRO 52 -0.401 18.330 2.041 359 HB3 PRO 52 2HB PRO 52 -0.430 17.607 0.428 360 HG2 PRO 52 1HG PRO 52 -2.704 18.623 2.089 361 HG3 PRO 52 2HG PRO 52 -2.401 18.839 0.356 362 HD2 PRO 52 1HD PRO 52 -4.153 17.009 1.312 363 HD3 PRO 52 2HD PRO 52 -3.219 16.750 -0.175 364 H LYS 53 H LYS 53 0.957 15.898 3.446 365 HA LYS 53 HA LYS 53 -0.165 15.413 5.941 366 HB2 LYS 53 1HB LYS 53 2.524 16.352 5.023 367 HB3 LYS 53 2HB LYS 53 2.159 16.349 6.744 368 HG2 LYS 53 1HG LYS 53 1.477 13.908 6.406 369 HG3 LYS 53 2HG LYS 53 2.312 14.027 4.856 370 HD2 LYS 53 1HD LYS 53 4.023 13.276 6.180 371 HD3 LYS 53 2HD LYS 53 4.240 15.019 6.355 372 HE2 LYS 53 1HE LYS 53 2.673 14.777 8.392 373 HE3 LYS 53 2HE LYS 53 3.052 13.058 8.286 374 HZ1 LYS 53 3HZ LYS 53 4.603 13.939 9.772 375 HZ2 LYS 53 1HZ LYS 53 4.895 15.308 8.821 376 HZ3 LYS 53 2HZ LYS 53 5.462 13.794 8.322 377 H ALA 54 H ALA 54 1.004 18.474 4.570 378 HA ALA 54 HA ALA 54 -0.463 19.883 6.705 379 HB1 ALA 54 1HB ALA 54 1.571 20.675 7.234 380 HB2 ALA 54 2HB ALA 54 2.256 20.254 5.664 381 HB3 ALA 54 3HB ALA 54 1.322 21.739 5.848 382 H GLY 55 H GLY 55 0.941 20.677 3.516 383 HA2 GLY 55 1HA GLY 55 -1.669 21.349 2.463 384 HA3 GLY 55 2HA GLY 55 -0.626 22.736 2.744 385 HA PRO 56 HA PRO 56 0.240 21.490 -1.562 386 HB2 PRO 56 1HB PRO 56 0.811 24.011 -2.393 387 HB3 PRO 56 2HB PRO 56 -0.839 23.382 -2.292 388 HG2 PRO 56 1HG PRO 56 0.645 25.130 -0.365 389 HG3 PRO 56 2HG PRO 56 -1.033 25.255 -0.926 390 HD2 PRO 56 1HD PRO 56 -0.374 24.179 1.470 391 HD3 PRO 56 2HD PRO 56 -1.772 23.625 0.526 392 H GLY 57 H GLY 57 2.140 20.398 -0.705 393 HA2 GLY 57 1HA GLY 57 4.522 20.972 -1.730 394 HA3 GLY 57 2HA GLY 57 4.530 22.023 -0.322 395 H SER 58 H SER 58 2.988 20.129 1.304 396 HA SER 58 HA SER 58 5.183 18.653 2.356 397 HB2 SER 58 1HB SER 58 3.792 18.133 4.137 398 HB3 SER 58 2HB SER 58 3.043 19.615 3.544 399 HG SER 58 HG SER 58 1.675 18.142 2.257 400 HA PRO 59 HA PRO 59 4.877 14.822 0.235 401 HB2 PRO 59 1HB PRO 59 5.589 13.078 2.190 402 HB3 PRO 59 2HB PRO 59 6.742 14.164 1.404 403 HG2 PRO 59 1HG PRO 59 5.356 14.460 4.041 404 HG3 PRO 59 2HG PRO 59 7.048 14.784 3.624 405 HD2 PRO 59 1HD PRO 59 5.198 16.750 3.838 406 HD3 PRO 59 2HD PRO 59 6.558 16.839 2.701 407 H LEU 60 H LEU 60 2.951 14.045 -0.361 408 HA LEU 60 HA LEU 60 0.608 13.874 0.941 409 HB2 LEU 60 1HB LEU 60 1.812 11.969 -1.041 410 HB3 LEU 60 2HB LEU 60 0.172 11.753 -0.435 411 HG LEU 60 HG LEU 60 1.232 14.052 -2.071 412 HD11 LEU 60 1HD1 LEU 60 -0.331 11.625 -2.614 413 HD12 LEU 60 2HD1 LEU 60 0.675 12.597 -3.688 414 HD13 LEU 60 3HD1 LEU 60 -0.972 13.108 -3.320 415 HD21 LEU 60 3HD2 LEU 60 -1.164 14.834 -1.984 416 HD22 LEU 60 1HD2 LEU 60 -0.239 15.038 -0.497 417 HD23 LEU 60 2HD2 LEU 60 -1.395 13.714 -0.641 418 H ARG 61 H ARG 61 -0.514 12.408 2.235 419 HA ARG 61 HA ARG 61 1.060 11.052 4.184 420 HB2 ARG 61 1HB ARG 61 -1.353 12.158 4.303 421 HB3 ARG 61 2HB ARG 61 -1.862 10.517 3.929 422 HG2 ARG 61 1HG ARG 61 -1.912 10.606 6.250 423 HG3 ARG 61 2HG ARG 61 -0.376 9.813 5.893 424 HD2 ARG 61 1HD ARG 61 0.747 12.018 6.117 425 HD3 ARG 61 2HD ARG 61 -0.797 12.710 6.613 426 HE ARG 61 HE ARG 61 0.988 11.171 8.221 427 HH11 ARG 61 2HH1 ARG 61 -2.368 11.940 7.703 428 HH12 ARG 61 1HH1 ARG 61 -2.832 11.603 9.338 429 HH21 ARG 61 2HH2 ARG 61 0.390 10.724 10.376 430 HH22 ARG 61 1HH2 ARG 61 -1.263 10.912 10.858 431 H VAL 62 H VAL 62 1.083 8.820 4.677 432 HA VAL 62 HA VAL 62 0.572 7.097 2.343 433 HB VAL 62 HB VAL 62 2.542 6.634 4.586 434 HG11 VAL 62 1HG1 VAL 62 3.386 4.830 3.164 435 HG12 VAL 62 2HG1 VAL 62 1.697 4.569 3.602 436 HG13 VAL 62 3HG1 VAL 62 2.111 5.158 1.991 437 HG21 VAL 62 3HG2 VAL 62 3.988 6.909 2.273 438 HG22 VAL 62 1HG2 VAL 62 2.732 8.133 2.089 439 HG23 VAL 62 2HG2 VAL 62 3.783 8.153 3.505 440 H THR 63 H THR 63 -0.433 5.117 2.616 441 HA THR 63 HA THR 63 -1.654 4.656 5.260 442 HB THR 63 HB THR 63 -2.917 4.020 2.587 443 HG1 THR 63 1HG THR 63 -3.375 6.090 2.638 444 HG21 THR 63 3HG2 THR 63 -4.022 3.938 5.397 445 HG22 THR 63 1HG2 THR 63 -3.630 2.540 4.399 446 HG23 THR 63 2HG2 THR 63 -4.936 3.624 3.923 447 H HIS 64 H HIS 64 -0.556 2.990 6.104 448 HA HIS 64 HA HIS 64 0.232 0.757 4.390 449 HB2 HIS 64 1HB HIS 64 0.865 1.125 7.319 450 HB3 HIS 64 2HB HIS 64 1.672 0.063 6.168 451 HD1 HIS 64 1HD HIS 64 3.249 1.223 4.408 452 HD2 HIS 64 2HD HIS 64 1.799 3.722 7.393 453 HE1 HIS 64 1HE HIS 64 4.684 3.286 4.314 454 HE2 HIS 64 2HE HIS 64 3.843 4.747 6.185 455 H ILE 65 H ILE 65 -1.240 -0.784 4.121 456 HA ILE 65 HA ILE 65 -2.893 -1.559 6.436 457 HB ILE 65 HB ILE 65 -3.590 -1.847 3.512 458 HG12 ILE 65 1HG1 ILE 65 -5.037 -0.081 5.457 459 HG13 ILE 65 2HG1 ILE 65 -3.575 0.501 4.667 460 HG21 ILE 65 1HG2 ILE 65 -5.037 -2.571 6.042 461 HG22 ILE 65 2HG2 ILE 65 -5.873 -2.354 4.505 462 HG23 ILE 65 3HG2 ILE 65 -4.641 -3.605 4.669 463 HD11 ILE 65 3HD1 ILE 65 -5.861 1.037 3.623 464 HD12 ILE 65 1HD1 ILE 65 -4.554 0.491 2.572 465 HD13 ILE 65 2HD1 ILE 65 -5.822 -0.634 3.059 466 H LYS 66 H LYS 66 -2.486 -3.501 7.236 467 HA LYS 66 HA LYS 66 -0.655 -5.301 6.035 468 HB2 LYS 66 1HB LYS 66 -2.395 -5.321 8.455 469 HB3 LYS 66 2HB LYS 66 -1.756 -6.859 7.890 470 HG2 LYS 66 1HG LYS 66 0.494 -6.092 8.135 471 HG3 LYS 66 2HG LYS 66 -0.054 -4.451 8.487 472 HD2 LYS 66 1HD LYS 66 -0.947 -5.096 10.579 473 HD3 LYS 66 2HD LYS 66 -0.817 -6.813 10.188 474 HE2 LYS 66 1HE LYS 66 1.541 -6.769 10.367 475 HE3 LYS 66 2HE LYS 66 1.581 -5.007 10.379 476 HZ1 LYS 66 3HZ LYS 66 1.706 -5.275 12.584 477 HZ2 LYS 66 1HZ LYS 66 1.103 -6.855 12.546 478 HZ3 LYS 66 2HZ LYS 66 0.037 -5.542 12.507 479 H VAL 67 H VAL 67 -0.954 -7.022 4.747 480 HA VAL 67 HA VAL 67 -3.718 -7.649 3.953 481 HB VAL 67 HB VAL 67 -1.141 -8.141 2.453 482 HG11 VAL 67 1HG1 VAL 67 -2.436 -8.989 0.664 483 HG12 VAL 67 2HG1 VAL 67 -3.001 -9.821 2.114 484 HG13 VAL 67 3HG1 VAL 67 -3.947 -8.499 1.429 485 HG21 VAL 67 3HG2 VAL 67 -2.926 -5.871 2.607 486 HG22 VAL 67 1HG2 VAL 67 -1.352 -6.015 1.825 487 HG23 VAL 67 2HG2 VAL 67 -2.813 -6.495 0.961 488 H MET 68 H MET 68 -4.255 -9.188 5.472 489 HA MET 68 HA MET 68 -2.643 -11.264 6.394 490 HB2 MET 68 1HB MET 68 -5.596 -10.836 6.220 491 HB3 MET 68 2HB MET 68 -4.994 -12.425 6.676 492 HG2 MET 68 1HG MET 68 -3.917 -11.567 8.599 493 HG3 MET 68 2HG MET 68 -4.162 -9.903 8.074 494 HE1 MET 68 3HE MET 68 -6.233 -8.947 7.553 495 HE2 MET 68 1HE MET 68 -7.837 -9.622 7.841 496 HE3 MET 68 2HE MET 68 -7.058 -8.640 9.082 497 H CYS 69 H CYS 69 -3.122 -13.644 5.987 498 HA CYS 69 HA CYS 69 -3.730 -14.214 3.183 499 HB2 CYS 69 1HB CYS 69 -1.339 -13.969 3.151 500 HB3 CYS 69 2HB CYS 69 -1.164 -14.971 4.586 501 HG CYS 69 HG CYS 69 -0.385 -16.140 1.978 502 H GLU 70 H GLU 70 -5.282 -15.690 3.226 503 HA GLU 70 HA GLU 70 -5.286 -17.680 5.391 504 HB2 GLU 70 1HB GLU 70 -7.511 -16.647 3.630 505 HB3 GLU 70 2HB GLU 70 -7.694 -18.019 4.714 506 HG2 GLU 70 1HG GLU 70 -7.139 -16.575 6.617 507 HG3 GLU 70 2HG GLU 70 -7.005 -15.202 5.520 508 H GLY 71 H GLY 71 -3.682 -18.960 4.278 509 HA2 GLY 71 1HA GLY 71 -3.063 -20.760 2.996 510 HA3 GLY 71 2HA GLY 71 -4.779 -21.082 2.804 511 H GLY 72 H GLY 72 -2.445 -18.631 1.657 512 HA2 GLY 72 1HA GLY 72 -1.809 -18.307 -0.592 513 HA3 GLY 72 2HA GLY 72 -3.164 -19.309 -1.095 514 H ARG 73 H ARG 73 -5.245 -18.050 0.259 515 HA ARG 73 HA ARG 73 -5.813 -15.916 -1.506 516 HB2 ARG 73 1HB ARG 73 -7.223 -16.608 1.077 517 HB3 ARG 73 2HB ARG 73 -7.875 -15.657 -0.251 518 HG2 ARG 73 1HG ARG 73 -8.202 -17.498 -1.589 519 HG3 ARG 73 2HG ARG 73 -6.969 -18.450 -0.760 520 HD2 ARG 73 1HD ARG 73 -8.979 -19.406 -0.061 521 HD3 ARG 73 2HD ARG 73 -8.528 -18.342 1.271 522 HE ARG 73 HE ARG 73 -10.119 -16.768 -0.230 523 HH11 ARG 73 2HH1 ARG 73 -10.496 -19.989 1.036 524 HH12 ARG 73 1HH1 ARG 73 -12.218 -19.871 1.181 525 HH21 ARG 73 2HH2 ARG 73 -12.386 -16.600 -0.042 526 HH22 ARG 73 1HH2 ARG 73 -13.293 -17.944 0.567 527 H TYR 74 H TYR 74 -6.657 -13.757 -0.605 528 HA TYR 74 HA TYR 74 -5.032 -12.764 1.615 529 HB2 TYR 74 1HB TYR 74 -5.078 -11.453 -1.112 530 HB3 TYR 74 2HB TYR 74 -4.259 -10.835 0.319 531 HD1 TYR 74 1HD TYR 74 -2.898 -13.130 1.415 532 HD2 TYR 74 2HD TYR 74 -3.470 -12.055 -2.661 533 HE1 TYR 74 1HE TYR 74 -0.877 -14.391 0.806 534 HE2 TYR 74 2HE TYR 74 -1.451 -13.313 -3.282 535 HH TYR 74 HH TYR 74 0.847 -14.042 -1.615 536 H THR 75 H THR 75 -5.931 -11.066 2.726 537 HA THR 75 HA THR 75 -8.287 -9.724 1.689 538 HB THR 75 HB THR 75 -9.133 -11.830 2.770 539 HG1 THR 75 1HG THR 75 -9.937 -9.499 4.185 540 HG21 THR 75 3HG2 THR 75 -8.904 -10.834 5.477 541 HG22 THR 75 1HG2 THR 75 -7.319 -11.150 4.773 542 HG23 THR 75 2HG2 THR 75 -8.528 -12.432 4.834 543 H VAL 76 H VAL 76 -9.074 -8.034 3.231 544 HA VAL 76 HA VAL 76 -6.879 -7.035 4.925 545 HB VAL 76 HB VAL 76 -7.561 -4.731 4.302 546 HG11 VAL 76 1HG1 VAL 76 -6.965 -5.830 1.663 547 HG12 VAL 76 2HG1 VAL 76 -6.028 -4.726 2.672 548 HG13 VAL 76 3HG1 VAL 76 -5.934 -6.466 2.945 549 HG21 VAL 76 3HG2 VAL 76 -8.845 -4.852 1.943 550 HG22 VAL 76 1HG2 VAL 76 -9.573 -6.237 2.756 551 HG23 VAL 76 2HG2 VAL 76 -9.669 -4.635 3.487 552 H GLY 77 H GLY 77 -7.895 -7.918 6.776 553 HA2 GLY 77 1HA GLY 77 -9.111 -7.589 8.713 554 HA3 GLY 77 2HA GLY 77 -9.807 -6.151 7.982 555 H GLY 78 H GLY 78 -11.340 -6.754 6.052 556 HA2 GLY 78 1HA GLY 78 -13.570 -8.040 7.135 557 HA3 GLY 78 2HA GLY 78 -13.350 -7.670 5.432 558 H LEU 79 H LEU 79 -14.735 -9.886 6.015 559 HA LEU 79 HA LEU 79 -13.062 -12.212 6.188 560 HB2 LEU 79 1HB LEU 79 -15.977 -11.728 5.728 561 HB3 LEU 79 2HB LEU 79 -15.291 -13.329 5.458 562 HG LEU 79 HG LEU 79 -14.881 -11.948 8.081 563 HD11 LEU 79 1HD1 LEU 79 -17.315 -13.558 7.325 564 HD12 LEU 79 2HD1 LEU 79 -17.286 -11.820 7.627 565 HD13 LEU 79 3HD1 LEU 79 -16.922 -12.948 8.933 566 HD21 LEU 79 3HD2 LEU 79 -13.616 -13.964 7.655 567 HD22 LEU 79 1HD2 LEU 79 -15.090 -14.830 7.219 568 HD23 LEU 79 2HD2 LEU 79 -14.848 -14.281 8.878 569 H GLU 80 H GLU 80 -13.961 -10.110 3.695 570 HA GLU 80 HA GLU 80 -14.278 -11.675 1.461 571 HB2 GLU 80 1HB GLU 80 -13.074 -8.991 1.939 572 HB3 GLU 80 2HB GLU 80 -12.832 -9.732 0.363 573 HG2 GLU 80 1HG GLU 80 -15.241 -9.931 0.072 574 HG3 GLU 80 2HG GLU 80 -15.498 -9.216 1.662 575 H THR 81 H THR 81 -12.593 -11.907 -0.346 576 HA THR 81 HA THR 81 -9.884 -12.408 0.517 577 HB THR 81 HB THR 81 -9.861 -14.785 -0.123 578 HG1 THR 81 1HG THR 81 -12.218 -14.235 -1.155 579 HG21 THR 81 3HG2 THR 81 -10.217 -14.087 2.245 580 HG22 THR 81 1HG2 THR 81 -10.901 -15.666 1.860 581 HG23 THR 81 2HG2 THR 81 -11.953 -14.255 1.987 582 H PHE 82 H PHE 82 -8.531 -13.244 -1.307 583 HA PHE 82 HA PHE 82 -9.646 -12.809 -3.962 584 HB2 PHE 82 1HB PHE 82 -7.253 -11.254 -2.958 585 HB3 PHE 82 2HB PHE 82 -7.905 -11.207 -4.592 586 HD1 PHE 82 1HD PHE 82 -10.089 -10.153 -5.023 587 HD2 PHE 82 2HD PHE 82 -8.243 -10.015 -1.190 588 HE1 PHE 82 1HE PHE 82 -11.585 -8.312 -4.374 589 HE2 PHE 82 2HE PHE 82 -9.736 -8.172 -0.534 590 HZ PHE 82 HZ PHE 82 -11.411 -7.319 -2.126 591 H ASP 83 H ASP 83 -8.512 -13.824 -5.608 592 HA ASP 83 HA ASP 83 -7.155 -16.162 -5.014 593 HB2 ASP 83 1HB ASP 83 -7.363 -14.484 -7.490 594 HB3 ASP 83 2HB ASP 83 -6.288 -15.879 -7.467 595 H SER 84 H SER 84 -5.922 -12.921 -5.456 596 HA SER 84 HA SER 84 -3.505 -13.465 -4.117 597 HB2 SER 84 1HB SER 84 -3.148 -14.594 -6.407 598 HB3 SER 84 2HB SER 84 -3.050 -12.956 -7.052 599 HG SER 84 HG SER 84 -0.989 -13.726 -6.505 600 H LEU 85 H LEU 85 -1.876 -11.568 -4.556 601 HA LEU 85 HA LEU 85 -2.945 -9.219 -3.702 602 HB2 LEU 85 1HB LEU 85 -0.482 -9.911 -5.204 603 HB3 LEU 85 2HB LEU 85 -0.910 -8.206 -5.087 604 HG LEU 85 HG LEU 85 0.699 -8.850 -3.369 605 HD11 LEU 85 1HD1 LEU 85 -1.979 -8.334 -2.100 606 HD12 LEU 85 2HD1 LEU 85 -1.058 -7.106 -2.967 607 HD13 LEU 85 3HD1 LEU 85 -0.389 -7.848 -1.513 608 HD21 LEU 85 3HD2 LEU 85 -0.418 -11.241 -3.279 609 HD22 LEU 85 1HD2 LEU 85 -1.333 -10.503 -1.965 610 HD23 LEU 85 2HD2 LEU 85 0.428 -10.564 -1.885 611 H THR 86 H THR 86 -2.789 -10.388 -6.996 612 HA THR 86 HA THR 86 -3.431 -7.979 -8.313 613 HB THR 86 HB THR 86 -4.012 -10.818 -9.179 614 HG1 THR 86 1HG THR 86 -1.918 -9.248 -10.202 615 HG21 THR 86 3HG2 THR 86 -4.458 -8.197 -10.444 616 HG22 THR 86 1HG2 THR 86 -5.237 -9.749 -10.748 617 HG23 THR 86 2HG2 THR 86 -3.662 -9.398 -11.460 618 H ASP 87 H ASP 87 -5.538 -10.767 -7.581 619 HA ASP 87 HA ASP 87 -7.945 -9.626 -8.346 620 HB2 ASP 87 1HB ASP 87 -7.174 -11.805 -6.463 621 HB3 ASP 87 2HB ASP 87 -8.833 -11.214 -6.406 622 H LEU 88 H LEU 88 -6.245 -9.411 -5.260 623 HA LEU 88 HA LEU 88 -8.306 -8.045 -3.871 624 HB2 LEU 88 1HB LEU 88 -6.418 -9.268 -2.809 625 HB3 LEU 88 2HB LEU 88 -5.339 -7.978 -3.337 626 HG LEU 88 HG LEU 88 -7.686 -7.263 -1.644 627 HD11 LEU 88 1HD1 LEU 88 -7.061 -8.462 0.109 628 HD12 LEU 88 2HD1 LEU 88 -5.452 -7.743 0.041 629 HD13 LEU 88 3HD1 LEU 88 -5.795 -9.222 -0.856 630 HD21 LEU 88 3HD2 LEU 88 -6.047 -5.630 -2.686 631 HD22 LEU 88 1HD2 LEU 88 -4.851 -6.267 -1.556 632 HD23 LEU 88 2HD2 LEU 88 -6.309 -5.483 -0.949 633 H VAL 89 H VAL 89 -5.196 -6.825 -5.136 634 HA VAL 89 HA VAL 89 -5.709 -4.115 -4.734 635 HB VAL 89 HB VAL 89 -4.028 -5.337 -6.928 636 HG11 VAL 89 1HG1 VAL 89 -3.347 -2.733 -5.707 637 HG12 VAL 89 2HG1 VAL 89 -3.174 -3.289 -7.373 638 HG13 VAL 89 3HG1 VAL 89 -4.748 -2.761 -6.777 639 HG21 VAL 89 3HG2 VAL 89 -2.454 -5.832 -5.423 640 HG22 VAL 89 1HG2 VAL 89 -2.646 -4.286 -4.596 641 HG23 VAL 89 2HG2 VAL 89 -3.713 -5.635 -4.204 642 H GLU 90 H GLU 90 -5.839 -5.820 -7.870 643 HA GLU 90 HA GLU 90 -6.920 -3.903 -9.448 644 HB2 GLU 90 1HB GLU 90 -7.456 -6.864 -9.382 645 HB3 GLU 90 2HB GLU 90 -8.173 -5.829 -10.609 646 HG2 GLU 90 1HG GLU 90 -5.220 -5.818 -10.141 647 HG3 GLU 90 2HG GLU 90 -5.977 -7.064 -11.132 648 H HIS 91 H HIS 91 -8.862 -6.213 -7.546 649 HA HIS 91 HA HIS 91 -11.359 -5.099 -8.125 650 HB2 HIS 91 1HB HIS 91 -11.264 -7.281 -7.153 651 HB3 HIS 91 2HB HIS 91 -10.388 -6.686 -5.746 652 HD1 HIS 91 1HD HIS 91 -13.798 -7.101 -7.129 653 HD2 HIS 91 2HD HIS 91 -11.990 -5.288 -3.857 654 HE1 HIS 91 1HE HIS 91 -15.670 -6.568 -5.536 655 HE2 HIS 91 2HE HIS 91 -14.562 -5.396 -3.602 656 H PHE 92 H PHE 92 -8.870 -4.083 -5.947 657 HA PHE 92 HA PHE 92 -10.654 -2.250 -4.544 658 HB2 PHE 92 1HB PHE 92 -7.915 -3.301 -4.095 659 HB3 PHE 92 2HB PHE 92 -8.239 -1.670 -3.515 660 HD1 PHE 92 2HD PHE 92 -10.984 -1.825 -2.592 661 HD2 PHE 92 1HD PHE 92 -7.835 -4.667 -2.242 662 HE1 PHE 92 2HE PHE 92 -12.052 -2.753 -0.579 663 HE2 PHE 92 1HE PHE 92 -8.898 -5.600 -0.228 664 HZ PHE 92 HZ PHE 92 -11.007 -4.642 0.607 665 H LYS 93 H LYS 93 -8.630 -2.292 -7.251 666 HA LYS 93 HA LYS 93 -7.755 0.431 -7.181 667 HB2 LYS 93 1HB LYS 93 -7.927 -1.536 -9.472 668 HB3 LYS 93 2HB LYS 93 -7.139 0.034 -9.556 669 HG2 LYS 93 1HG LYS 93 -5.827 -0.929 -7.466 670 HG3 LYS 93 2HG LYS 93 -6.265 -2.464 -8.222 671 HD2 LYS 93 1HD LYS 93 -5.038 -0.257 -9.836 672 HD3 LYS 93 2HD LYS 93 -4.028 -1.335 -8.871 673 HE2 LYS 93 1HE LYS 93 -4.725 -3.234 -10.091 674 HE3 LYS 93 2HE LYS 93 -6.058 -2.357 -10.840 675 HZ1 LYS 93 3HZ LYS 93 -4.224 -2.665 -12.380 676 HZ2 LYS 93 1HZ LYS 93 -3.172 -1.857 -11.329 677 HZ3 LYS 93 2HZ LYS 93 -4.451 -1.021 -12.052 678 H LYS 94 H LYS 94 -10.684 -1.121 -7.989 679 HA LYS 94 HA LYS 94 -11.615 1.221 -9.503 680 HB2 LYS 94 1HB LYS 94 -13.579 -0.307 -10.051 681 HB3 LYS 94 2HB LYS 94 -12.028 -0.730 -10.765 682 HG2 LYS 94 1HG LYS 94 -11.693 -2.399 -8.984 683 HG3 LYS 94 2HG LYS 94 -13.291 -2.005 -8.347 684 HD2 LYS 94 1HD LYS 94 -14.071 -2.521 -10.788 685 HD3 LYS 94 2HD LYS 94 -12.547 -3.408 -10.878 686 HE2 LYS 94 1HE LYS 94 -14.116 -5.005 -10.195 687 HE3 LYS 94 2HE LYS 94 -13.284 -4.542 -8.711 688 HZ1 LYS 94 3HZ LYS 94 -16.021 -3.910 -9.577 689 HZ2 LYS 94 1HZ LYS 94 -15.222 -2.851 -8.528 690 HZ3 LYS 94 2HZ LYS 94 -15.472 -4.461 -8.076 691 H THR 95 H THR 95 -12.485 -0.929 -6.823 692 HA THR 95 HA THR 95 -14.716 0.736 -6.047 693 HB THR 95 HB THR 95 -15.060 -0.829 -4.233 694 HG1 THR 95 1HG THR 95 -12.752 -2.264 -5.031 695 HG21 THR 95 3HG2 THR 95 -16.051 -2.082 -5.788 696 HG22 THR 95 1HG2 THR 95 -14.551 -2.998 -5.929 697 HG23 THR 95 2HG2 THR 95 -14.850 -1.626 -6.996 698 H GLY 96 H GLY 96 -11.580 -0.167 -4.607 699 HA2 GLY 96 1HA GLY 96 -10.152 1.415 -3.542 700 HA3 GLY 96 2HA GLY 96 -11.552 2.435 -3.247 701 H ILE 97 H ILE 97 -9.880 2.061 -1.191 702 HA ILE 97 HA ILE 97 -11.240 0.071 0.508 703 HB ILE 97 HB ILE 97 -8.439 1.164 0.794 704 HG12 ILE 97 1HG1 ILE 97 -9.107 -1.722 0.382 705 HG13 ILE 97 2HG1 ILE 97 -9.105 -0.644 -1.008 706 HG21 ILE 97 1HG2 ILE 97 -8.998 0.774 2.977 707 HG22 ILE 97 2HG2 ILE 97 -10.166 -0.481 2.569 708 HG23 ILE 97 3HG2 ILE 97 -8.440 -0.833 2.511 709 HD11 ILE 97 3HD1 ILE 97 -6.963 -1.978 -0.317 710 HD12 ILE 97 1HD1 ILE 97 -6.847 -0.329 -0.931 711 HD13 ILE 97 2HD1 ILE 97 -6.751 -0.633 0.803 712 H GLU 98 H GLU 98 -12.161 0.726 2.377 713 HA GLU 98 HA GLU 98 -12.091 3.607 2.944 714 HB2 GLU 98 1HB GLU 98 -14.313 2.773 2.505 715 HB3 GLU 98 2HB GLU 98 -14.106 1.479 3.678 716 HG2 GLU 98 1HG GLU 98 -14.173 2.984 5.495 717 HG3 GLU 98 2HG GLU 98 -14.012 4.383 4.434 718 H GLU 99 H GLU 99 -11.305 4.376 4.813 719 HA GLU 99 HA GLU 99 -10.233 2.432 6.726 720 HB2 GLU 99 1HB GLU 99 -9.644 5.386 6.485 721 HB3 GLU 99 2HB GLU 99 -8.809 4.238 7.520 722 HG2 GLU 99 1HG GLU 99 -8.875 3.975 4.531 723 HG3 GLU 99 2HG GLU 99 -7.638 4.894 5.386 724 H ALA 100 H ALA 100 -10.268 3.113 9.054 725 HA ALA 100 HA ALA 100 -12.949 3.520 9.884 726 HB1 ALA 100 1HB ALA 100 -11.992 2.331 11.522 727 HB2 ALA 100 2HB ALA 100 -10.380 2.947 11.160 728 HB3 ALA 100 3HB ALA 100 -11.484 3.898 12.152 729 H SER 101 H SER 101 -10.049 5.494 10.557 730 HA SER 101 HA SER 101 -11.040 7.652 11.774 731 HB2 SER 101 1HB SER 101 -8.680 7.208 10.658 732 HB3 SER 101 2HB SER 101 -9.332 8.249 9.393 733 HG SER 101 HG SER 101 -8.476 8.882 11.911 734 H GLY 102 H GLY 102 -11.234 7.158 8.254 735 HA2 GLY 102 1HA GLY 102 -13.596 7.795 7.468 736 HA3 GLY 102 2HA GLY 102 -13.174 9.370 8.120 737 H ALA 103 H ALA 103 -10.856 7.316 6.497 738 HA ALA 103 HA ALA 103 -10.807 9.248 4.270 739 HB1 ALA 103 1HB ALA 103 -8.376 8.270 4.065 740 HB2 ALA 103 2HB ALA 103 -8.745 9.551 5.221 741 HB3 ALA 103 3HB ALA 103 -8.627 7.879 5.766 742 H PHE 104 H PHE 104 -10.241 8.424 2.167 743 HA PHE 104 HA PHE 104 -10.829 5.557 1.832 744 HB2 PHE 104 1HB PHE 104 -12.038 7.931 0.517 745 HB3 PHE 104 2HB PHE 104 -11.728 6.529 -0.502 746 HD1 PHE 104 1HD PHE 104 -13.518 7.702 2.504 747 HD2 PHE 104 2HD PHE 104 -13.091 4.609 -0.389 748 HE1 PHE 104 1HE PHE 104 -15.596 6.663 3.314 749 HE2 PHE 104 2HE PHE 104 -15.169 3.566 0.416 750 HZ PHE 104 HZ PHE 104 -16.425 4.593 2.269 751 H VAL 105 H VAL 105 -9.078 4.561 1.102 752 HA VAL 105 HA VAL 105 -7.013 5.999 -0.322 753 HB VAL 105 HB VAL 105 -7.241 3.120 0.551 754 HG11 VAL 105 1HG1 VAL 105 -4.736 3.131 -0.063 755 HG12 VAL 105 2HG1 VAL 105 -5.921 2.930 -1.356 756 HG13 VAL 105 3HG1 VAL 105 -5.152 4.496 -1.098 757 HG21 VAL 105 3HG2 VAL 105 -5.885 5.561 1.598 758 HG22 VAL 105 1HG2 VAL 105 -6.779 4.309 2.461 759 HG23 VAL 105 2HG2 VAL 105 -5.147 3.984 1.877 760 H TYR 106 H TYR 106 -6.653 5.999 -2.455 761 HA TYR 106 HA TYR 106 -8.298 4.210 -4.123 762 HB2 TYR 106 1HB TYR 106 -7.310 6.991 -4.787 763 HB3 TYR 106 2HB TYR 106 -8.270 5.962 -5.844 764 HD1 TYR 106 1HD TYR 106 -10.234 4.886 -3.877 765 HD2 TYR 106 2HD TYR 106 -8.720 8.825 -4.421 766 HE1 TYR 106 1HE TYR 106 -12.296 5.807 -2.902 767 HE2 TYR 106 2HE TYR 106 -10.776 9.757 -3.447 768 HH TYR 106 HH TYR 106 -12.588 9.055 -1.951 769 H LEU 107 H LEU 107 -7.300 2.971 -5.600 770 HA LEU 107 HA LEU 107 -4.393 3.320 -5.918 771 HB2 LEU 107 1HB LEU 107 -5.883 0.763 -6.408 772 HB3 LEU 107 2HB LEU 107 -4.155 0.995 -6.150 773 HG LEU 107 HG LEU 107 -5.030 1.831 -3.774 774 HD11 LEU 107 1HD1 LEU 107 -7.253 0.273 -4.950 775 HD12 LEU 107 2HD1 LEU 107 -7.279 1.566 -3.752 776 HD13 LEU 107 3HD1 LEU 107 -6.827 -0.070 -3.274 777 HD21 LEU 107 3HD2 LEU 107 -3.899 -0.549 -4.855 778 HD22 LEU 107 1HD2 LEU 107 -5.036 -0.991 -3.581 779 HD23 LEU 107 2HD2 LEU 107 -3.716 0.127 -3.236 780 H ARG 108 H ARG 108 -4.987 4.880 -7.628 781 HA ARG 108 HA ARG 108 -6.246 3.919 -10.017 782 HB2 ARG 108 1HB ARG 108 -4.537 6.391 -9.763 783 HB3 ARG 108 2HB ARG 108 -5.819 6.078 -10.926 784 HG2 ARG 108 1HG ARG 108 -7.273 5.889 -8.724 785 HG3 ARG 108 2HG ARG 108 -5.990 6.921 -8.090 786 HD2 ARG 108 1HD ARG 108 -6.545 8.678 -9.439 787 HD3 ARG 108 2HD ARG 108 -7.174 7.637 -10.716 788 HE ARG 108 HE ARG 108 -8.911 7.340 -8.611 789 HH11 ARG 108 2HH1 ARG 108 -7.754 9.984 -10.558 790 HH12 ARG 108 1HH1 ARG 108 -9.212 10.906 -10.406 791 HH21 ARG 108 2HH2 ARG 108 -10.837 8.545 -8.403 792 HH22 ARG 108 1HH2 ARG 108 -10.966 10.087 -9.179 793 H GLN 109 H GLN 109 -2.904 4.768 -9.137 794 HA GLN 109 HA GLN 109 -1.973 2.939 -11.234 795 HB2 GLN 109 1HB GLN 109 -0.219 4.521 -11.887 796 HB3 GLN 109 2HB GLN 109 -1.819 5.200 -12.151 797 HG2 GLN 109 1HG GLN 109 -0.440 5.780 -9.585 798 HG3 GLN 109 2HG GLN 109 0.109 6.600 -11.045 799 HE21 GLN 109 1HE2 GLN 109 -0.858 8.106 -9.052 800 HE22 GLN 109 2HE2 GLN 109 -2.414 8.738 -9.455 801 HA PRO 110 HA PRO 110 0.565 1.376 -7.988 802 HB2 PRO 110 1HB PRO 110 2.370 0.029 -9.503 803 HB3 PRO 110 2HB PRO 110 0.719 -0.541 -9.244 804 HG2 PRO 110 1HG PRO 110 1.870 0.928 -11.584 805 HG3 PRO 110 2HG PRO 110 0.758 -0.454 -11.567 806 HD2 PRO 110 1HD PRO 110 -0.082 2.088 -11.971 807 HD3 PRO 110 2HD PRO 110 -1.082 0.873 -11.151 808 H TYR 111 H TYR 111 3.249 0.910 -8.068 809 HA TYR 111 HA TYR 111 4.494 3.490 -8.713 810 HB2 TYR 111 1HB TYR 111 3.968 3.627 -6.362 811 HB3 TYR 111 2HB TYR 111 4.663 2.037 -6.067 812 HD1 TYR 111 1HD TYR 111 5.534 5.486 -7.147 813 HD2 TYR 111 2HD TYR 111 6.928 1.814 -5.511 814 HE1 TYR 111 1HE TYR 111 7.706 6.534 -6.663 815 HE2 TYR 111 2HE TYR 111 9.104 2.851 -5.022 816 HH TYR 111 HH TYR 111 9.731 6.262 -5.802 817 H TYR 112 H TYR 112 6.121 3.108 -10.048 818 HA TYR 112 HA TYR 112 7.517 0.532 -9.910 819 HB2 TYR 112 1HB TYR 112 7.753 2.612 -12.086 820 HB3 TYR 112 2HB TYR 112 8.227 0.918 -12.158 821 HD1 TYR 112 1HD TYR 112 6.083 -0.673 -11.426 822 HD2 TYR 112 2HD TYR 112 5.908 3.111 -13.361 823 HE1 TYR 112 1HE TYR 112 3.880 -1.256 -12.351 824 HE2 TYR 112 2HE TYR 112 3.704 2.540 -14.292 825 HH TYR 112 HH TYR 112 2.250 -0.648 -13.748 826 H SER 113 H SER 113 9.501 0.393 -9.105 827 HA SER 113 HA SER 113 10.895 2.834 -8.349 828 HB2 SER 113 1HB SER 113 11.045 -0.034 -7.555 829 HB3 SER 113 2HB SER 113 12.508 0.936 -7.387 830 HG SER 113 HG SER 113 11.613 2.031 -5.810 831 H GLY 114 H GLY 114 11.650 3.591 -10.340 832 HA2 GLY 114 1HA GLY 114 13.166 3.812 -12.048 833 HA3 GLY 114 2HA GLY 114 14.203 2.748 -11.110 834 HA PRO 115 HA PRO 115 12.889 0.691 -15.121 835 HB2 PRO 115 1HB PRO 115 15.395 0.330 -16.098 836 HB3 PRO 115 2HB PRO 115 14.446 1.789 -16.404 837 HG2 PRO 115 1HG PRO 115 16.617 1.329 -14.396 838 HG3 PRO 115 2HG PRO 115 16.341 2.734 -15.443 839 HD2 PRO 115 1HD PRO 115 15.629 2.700 -12.831 840 HD3 PRO 115 2HD PRO 115 14.718 3.605 -14.057 841 H SER 116 H SER 116 13.635 -1.489 -15.890 842 HA SER 116 HA SER 116 14.434 -3.116 -13.574 843 HB2 SER 116 1HB SER 116 12.693 -3.691 -15.962 844 HB3 SER 116 2HB SER 116 13.389 -5.000 -15.006 845 HG SER 116 HG SER 116 11.241 -3.501 -14.471 846 H SER 117 H SER 117 15.519 -5.240 -14.239 847 HA SER 117 HA SER 117 17.495 -4.710 -16.360 848 HB2 SER 117 1HB SER 117 19.168 -5.892 -14.978 849 HB3 SER 117 2HB SER 117 18.540 -4.462 -14.160 850 HG SER 117 HG SER 117 18.686 -6.620 -12.996 851 H GLY 118 H GLY 118 17.277 -6.101 -17.975 852 HA2 GLY 118 1HA GLY 118 15.661 -8.259 -18.194 853 HA3 GLY 118 2HA GLY 118 17.186 -8.142 -19.060 854 H1 MET 1 H MET 1 12.335 9.939 17.401 855 HA MET 1 HA MET 1 14.827 10.067 15.873 856 HB2 MET 1 1HB MET 1 14.283 9.993 18.842 857 HB3 MET 1 2HB MET 1 15.897 9.962 18.146 858 HG2 MET 1 1HG MET 1 13.871 12.173 17.947 859 HG3 MET 1 2HG MET 1 15.395 12.192 18.830 860 HE1 MET 1 3HE MET 1 17.643 12.150 17.869 861 HE2 MET 1 1HE MET 1 18.040 13.022 16.387 862 HE3 MET 1 2HE MET 1 17.224 13.857 17.710 863 H ASP 2 H ASP 2 14.983 8.139 14.811 864 HA ASP 2 HA ASP 2 15.428 5.932 14.487 865 HB2 ASP 2 1HB ASP 2 16.265 6.298 17.348 866 HB3 ASP 2 2HB ASP 2 16.300 4.699 16.610 867 H ASN 3 H ASN 3 12.761 6.601 14.868 868 HA ASN 3 HA ASN 3 11.705 4.376 16.478 869 HB2 ASN 3 1HB ASN 3 10.585 7.042 15.690 870 HB3 ASN 3 2HB ASN 3 9.488 5.715 16.058 871 HD21 ASN 3 1HD2 ASN 3 10.032 4.551 18.150 872 HD22 ASN 3 2HD2 ASN 3 10.425 5.556 19.499 873 H GLN 4 H GLN 4 12.190 2.846 14.804 874 HA GLN 4 HA GLN 4 11.072 3.085 12.193 875 HB2 GLN 4 1HB GLN 4 11.796 0.800 11.865 876 HB3 GLN 4 2HB GLN 4 13.057 1.694 12.705 877 HG2 GLN 4 1HG GLN 4 11.069 0.117 14.272 878 HG3 GLN 4 2HG GLN 4 12.411 -0.702 13.475 879 HE21 GLN 4 1HE2 GLN 4 11.533 0.225 16.350 880 HE22 GLN 4 2HE2 GLN 4 13.030 0.756 17.028 881 H GLY 5 H GLY 5 9.701 1.042 11.435 882 HA2 GLY 5 1HA GLY 5 7.750 -0.195 11.606 883 HA3 GLY 5 2HA GLY 5 7.703 0.179 13.323 884 H VAL 6 H VAL 6 6.934 1.386 10.107 885 HA VAL 6 HA VAL 6 5.658 3.769 10.910 886 HB VAL 6 HB VAL 6 4.613 3.771 8.696 887 HG11 VAL 6 1HG1 VAL 6 6.627 3.839 7.370 888 HG12 VAL 6 2HG1 VAL 6 6.967 4.476 8.981 889 HG13 VAL 6 3HG1 VAL 6 7.477 2.843 8.551 890 HG21 VAL 6 3HG2 VAL 6 4.042 1.425 8.505 891 HG22 VAL 6 1HG2 VAL 6 5.041 1.910 7.135 892 HG23 VAL 6 2HG2 VAL 6 5.749 0.986 8.459 893 H ILE 7 H ILE 7 3.585 4.234 11.470 894 HA ILE 7 HA ILE 7 1.999 2.196 12.618 895 HB ILE 7 HB ILE 7 1.099 4.983 11.887 896 HG12 ILE 7 1HG1 ILE 7 3.221 4.908 13.237 897 HG13 ILE 7 2HG1 ILE 7 1.877 5.718 14.034 898 HG21 ILE 7 1HG2 ILE 7 -0.184 2.761 13.161 899 HG22 ILE 7 2HG2 ILE 7 -0.031 4.097 14.301 900 HG23 ILE 7 3HG2 ILE 7 -0.842 4.347 12.756 901 HD11 ILE 7 3HD1 ILE 7 1.625 3.117 14.879 902 HD12 ILE 7 1HD1 ILE 7 3.371 3.362 14.828 903 HD13 ILE 7 2HD1 ILE 7 2.356 4.441 15.786 904 H PTR 8 H PTR 8 0.051 1.298 11.976 905 HA PTR 8 HA PTR 8 -0.517 1.513 9.096 906 HB2 PTR 8 2HB PTR 8 -0.799 -0.740 11.063 907 HB3 PTR 8 3HB PTR 8 -1.741 -0.729 9.577 908 HD1 PTR 8 1HD PTR 8 1.814 -0.073 10.552 909 HD2 PTR 8 2HD PTR 8 -0.870 -2.006 7.876 910 HE1 PTR 8 1HE PTR 8 3.726 -1.038 9.341 911 HE2 PTR 8 2HE PTR 8 1.033 -2.976 6.658 912 H SER 9 H SER 9 -2.511 2.051 8.385 913 HA SER 9 HA SER 9 -4.390 3.056 10.365 914 HB2 SER 9 1HB SER 9 -4.151 3.325 7.375 915 HB3 SER 9 2HB SER 9 -5.618 3.818 8.221 916 HG SER 9 HG SER 9 -3.013 4.871 8.418 917 H ASP 10 H ASP 10 -5.996 1.856 11.107 918 HA ASP 10 HA ASP 10 -6.634 -0.701 10.129 919 HB2 ASP 10 1HB ASP 10 -7.758 1.146 12.163 920 HB3 ASP 10 2HB ASP 10 -8.825 -0.125 11.573 921 H LEU 11 H LEU 11 -9.267 -1.039 9.911 922 HA LEU 11 HA LEU 11 -10.065 0.669 7.647 923 HB2 LEU 11 1HB LEU 11 -10.443 -2.299 8.004 924 HB3 LEU 11 2HB LEU 11 -11.211 -1.349 6.734 925 HG LEU 11 HG LEU 11 -8.292 -1.995 7.065 926 HD11 LEU 11 1HD1 LEU 11 -8.621 -2.800 4.719 927 HD12 LEU 11 2HD1 LEU 11 -10.350 -2.534 4.936 928 HD13 LEU 11 3HD1 LEU 11 -9.506 -3.708 5.945 929 HD21 LEU 11 3HD2 LEU 11 -8.145 0.233 6.441 930 HD22 LEU 11 1HD2 LEU 11 -9.614 0.163 5.468 931 HD23 LEU 11 2HD2 LEU 11 -8.137 -0.607 4.888 932 H ASN 12 H ASN 12 -12.512 0.337 7.178 933 HA ASN 12 HA ASN 12 -13.899 0.920 9.666 934 HB2 ASN 12 1HB ASN 12 -15.474 2.031 8.401 935 HB3 ASN 12 2HB ASN 12 -14.067 2.184 7.351 936 HD21 ASN 12 1HD2 ASN 12 -13.854 -0.085 6.054 937 HD22 ASN 12 2HD2 ASN 12 -15.281 -0.453 5.150 938 H LEU 13 H LEU 13 -13.816 -1.522 7.162 939 HA LEU 13 HA LEU 13 -16.083 -2.912 7.301 940 HB2 LEU 13 1HB LEU 13 -13.794 -4.663 7.838 941 HB3 LEU 13 2HB LEU 13 -14.936 -4.668 6.496 942 HG LEU 13 HG LEU 13 -12.546 -2.843 6.754 943 HD11 LEU 13 1HD1 LEU 13 -11.898 -4.260 4.670 944 HD12 LEU 13 2HD1 LEU 13 -12.992 -5.452 5.371 945 HD13 LEU 13 3HD1 LEU 13 -11.595 -4.890 6.289 946 HD21 LEU 13 3HD2 LEU 13 -13.690 -3.134 4.123 947 HD22 LEU 13 1HD2 LEU 13 -13.353 -1.670 5.049 948 HD23 LEU 13 2HD2 LEU 13 -14.884 -2.522 5.268 949 HA PRO 14 HA PRO 14 -14.982 -4.967 11.547 950 HB2 PRO 14 1HB PRO 14 -12.988 -3.811 12.981 951 HB3 PRO 14 2HB PRO 14 -12.705 -5.112 11.819 952 HG2 PRO 14 1HG PRO 14 -12.345 -2.159 11.482 953 HG3 PRO 14 2HG PRO 14 -11.288 -3.483 10.957 954 HD2 PRO 14 1HD PRO 14 -12.980 -2.212 9.267 955 HD3 PRO 14 2HD PRO 14 -12.564 -3.927 9.089 956 HA PRO 15 HA PRO 15 -17.460 -2.039 13.731 957 HB2 PRO 15 1HB PRO 15 -17.680 -3.350 16.099 958 HB3 PRO 15 2HB PRO 15 -18.538 -3.855 14.638 959 HG2 PRO 15 1HG PRO 15 -16.007 -4.935 15.816 960 HG3 PRO 15 2HG PRO 15 -17.385 -5.813 15.128 961 HD2 PRO 15 1HD PRO 15 -15.094 -5.386 13.750 962 HD3 PRO 15 2HD PRO 15 -16.680 -5.470 12.960 Start of MODEL 19 1 H1 GLY 1 H GLY 1 14.525 -12.158 -19.735 2 HA2 GLY 1 1HA GLY 1 13.117 -12.454 -17.153 3 HA3 GLY 1 2HA GLY 1 14.840 -12.123 -17.248 4 H SER 2 H SER 2 15.015 -10.179 -19.128 5 HA SER 2 HA SER 2 14.673 -7.835 -17.850 6 HB2 SER 2 1HB SER 2 15.784 -8.146 -20.077 7 HB3 SER 2 2HB SER 2 14.185 -8.137 -20.822 8 HG SER 2 HG SER 2 14.566 -6.021 -19.150 9 H SER 3 H SER 3 13.108 -6.335 -17.474 10 HA SER 3 HA SER 3 10.417 -6.852 -18.528 11 HB2 SER 3 1HB SER 3 10.742 -7.772 -16.165 12 HB3 SER 3 2HB SER 3 10.878 -6.092 -15.643 13 HG SER 3 HG SER 3 8.795 -5.914 -15.795 14 H GLY 4 H GLY 4 9.062 -5.025 -18.675 15 HA2 GLY 4 1HA GLY 4 10.548 -2.479 -18.608 16 HA3 GLY 4 2HA GLY 4 9.195 -2.828 -19.674 17 H SER 5 H SER 5 9.992 -2.548 -16.217 18 HA SER 5 HA SER 5 8.778 -1.810 -14.436 19 HB2 SER 5 1HB SER 5 7.892 0.022 -16.653 20 HB3 SER 5 2HB SER 5 7.239 0.191 -15.023 21 HG SER 5 HG SER 5 9.672 0.106 -14.495 22 H SER 6 H SER 6 7.781 -4.144 -15.367 23 HA SER 6 HA SER 6 4.870 -3.799 -15.513 24 HB2 SER 6 1HB SER 6 5.623 -5.200 -17.273 25 HB3 SER 6 2HB SER 6 6.690 -6.104 -16.200 26 HG SER 6 HG SER 6 5.069 -7.426 -16.039 27 H GLY 7 H GLY 7 3.583 -4.321 -13.857 28 HA2 GLY 7 1HA GLY 7 2.896 -5.599 -11.994 29 HA3 GLY 7 2HA GLY 7 4.551 -6.152 -11.792 30 H TRP 8 H TRP 8 2.989 -5.254 -9.663 31 HA TRP 8 HA TRP 8 4.370 -2.745 -8.966 32 HB2 TRP 8 1HB TRP 8 2.270 -2.669 -7.290 33 HB3 TRP 8 2HB TRP 8 2.239 -1.946 -8.897 34 HD1 TRP 8 HD TRP 8 0.057 -2.483 -10.097 35 HE1 TRP 8 1HE TRP 8 -1.563 -4.480 -10.199 36 HE3 TRP 8 3HE TRP 8 2.456 -5.638 -6.868 37 HZ2 TRP 8 2HZ TRP 8 -1.793 -7.053 -9.060 38 HZ3 TRP 8 3HZ TRP 8 1.470 -7.849 -6.428 39 HH2 TRP 8 HH TRP 8 -0.611 -8.539 -7.503 40 H TYR 9 H TYR 9 5.267 -5.485 -8.564 41 HA TYR 9 HA TYR 9 5.101 -5.732 -5.641 42 HB2 TYR 9 1HB TYR 9 4.560 -7.680 -7.285 43 HB3 TYR 9 2HB TYR 9 6.309 -7.816 -7.431 44 HD1 TYR 9 1HD TYR 9 3.543 -7.846 -4.947 45 HD2 TYR 9 2HD TYR 9 7.548 -8.985 -5.823 46 HE1 TYR 9 1HE TYR 9 3.602 -9.196 -2.892 47 HE2 TYR 9 2HE TYR 9 7.617 -10.339 -3.771 48 HH TYR 9 HH TYR 9 6.512 -11.023 -1.978 49 H HIS 10 H HIS 10 6.769 -5.087 -4.464 50 HA HIS 10 HA HIS 10 9.344 -4.622 -5.787 51 HB2 HIS 10 1HB HIS 10 8.049 -3.514 -3.317 52 HB3 HIS 10 2HB HIS 10 9.795 -3.417 -3.520 53 HD1 HIS 10 1HD HIS 10 10.664 -1.541 -4.924 54 HD2 HIS 10 2HD HIS 10 6.578 -2.117 -5.403 55 HE1 HIS 10 1HE HIS 10 9.874 0.386 -6.335 56 HE2 HIS 10 2HE HIS 10 7.384 0.062 -6.540 57 H GLY 11 H GLY 11 8.086 -5.928 -2.712 58 HA2 GLY 11 1HA GLY 11 8.816 -8.177 -2.062 59 HA3 GLY 11 2HA GLY 11 10.404 -7.760 -2.688 60 H HIS 12 H HIS 12 11.682 -7.876 -0.937 61 HA HIS 12 HA HIS 12 10.994 -7.308 1.693 62 HB2 HIS 12 1HB HIS 12 13.294 -7.428 2.203 63 HB3 HIS 12 2HB HIS 12 13.092 -8.474 0.801 64 HD1 HIS 12 1HD HIS 12 13.771 -7.298 -1.560 65 HD2 HIS 12 2HD HIS 12 15.210 -5.525 1.910 66 HE1 HIS 12 1HE HIS 12 15.672 -5.826 -2.296 67 HE2 HIS 12 2HE HIS 12 16.582 -4.829 -0.170 68 H MET 13 H MET 13 10.189 -5.456 2.427 69 HA MET 13 HA MET 13 11.705 -3.033 2.222 70 HB2 MET 13 1HB MET 13 10.333 -3.179 0.063 71 HB3 MET 13 2HB MET 13 8.920 -2.923 1.079 72 HG2 MET 13 1HG MET 13 9.346 -0.783 0.457 73 HG3 MET 13 2HG MET 13 10.313 -0.865 1.928 74 HE1 MET 13 3HE MET 13 10.136 -0.073 -1.684 75 HE2 MET 13 1HE MET 13 11.748 -0.321 -2.352 76 HE3 MET 13 2HE MET 13 10.717 -1.708 -2.001 77 H SER 14 H SER 14 11.488 -1.970 4.078 78 HA SER 14 HA SER 14 9.499 -2.822 5.985 79 HB2 SER 14 1HB SER 14 10.694 -1.500 7.583 80 HB3 SER 14 2HB SER 14 11.903 -2.282 6.565 81 HG SER 14 HG SER 14 12.608 -0.324 6.283 82 H GLY 15 H GLY 15 8.649 -0.812 7.404 83 HA2 GLY 15 1HA GLY 15 6.744 0.489 5.717 84 HA3 GLY 15 2HA GLY 15 6.927 0.720 7.450 85 H GLY 16 H GLY 16 9.180 1.870 7.937 86 HA2 GLY 16 1HA GLY 16 8.960 4.511 7.274 87 HA3 GLY 16 2HA GLY 16 10.485 3.757 7.715 88 H GLN 17 H GLN 17 10.446 1.988 5.361 89 HA GLN 17 HA GLN 17 11.792 3.743 3.560 90 HB2 GLN 17 1HB GLN 17 12.104 1.159 4.064 91 HB3 GLN 17 2HB GLN 17 10.972 0.998 2.727 92 HG2 GLN 17 1HG GLN 17 12.457 1.787 1.187 93 HG3 GLN 17 2HG GLN 17 13.329 2.766 2.367 94 HE21 GLN 17 1HE2 GLN 17 14.871 1.433 0.729 95 HE22 GLN 17 2HE2 GLN 17 15.573 0.041 1.473 96 H ALA 18 H ALA 18 9.022 1.567 2.976 97 HA ALA 18 HA ALA 18 8.193 2.372 0.545 98 HB1 ALA 18 1HB ALA 18 6.323 1.225 0.987 99 HB2 ALA 18 2HB ALA 18 7.074 0.886 2.547 100 HB3 ALA 18 3HB ALA 18 5.931 2.220 2.390 101 H GLU 19 H GLU 19 7.444 4.056 3.582 102 HA GLU 19 HA GLU 19 5.778 6.037 2.609 103 HB2 GLU 19 1HB GLU 19 7.620 5.803 4.926 104 HB3 GLU 19 2HB GLU 19 7.067 7.420 4.511 105 HG2 GLU 19 1HG GLU 19 4.724 6.547 4.607 106 HG3 GLU 19 2HG GLU 19 5.382 5.043 5.251 107 H THR 20 H THR 20 9.322 6.042 2.806 108 HA THR 20 HA THR 20 9.730 8.630 1.802 109 HB THR 20 HB THR 20 11.558 6.236 1.532 110 HG1 THR 20 1HG THR 20 10.978 8.004 3.625 111 HG21 THR 20 3HG2 THR 20 11.891 9.154 1.017 112 HG22 THR 20 1HG2 THR 20 12.533 7.774 0.127 113 HG23 THR 20 2HG2 THR 20 13.256 8.245 1.665 114 H LEU 21 H LEU 21 10.170 5.543 0.062 115 HA LEU 21 HA LEU 21 10.572 6.491 -2.467 116 HB2 LEU 21 1HB LEU 21 8.905 4.091 -1.725 117 HB3 LEU 21 2HB LEU 21 9.644 4.390 -3.297 118 HG LEU 21 HG LEU 21 11.854 4.440 -1.826 119 HD11 LEU 21 1HD1 LEU 21 9.819 3.358 -0.053 120 HD12 LEU 21 2HD1 LEU 21 11.455 3.911 0.302 121 HD13 LEU 21 3HD1 LEU 21 11.186 2.267 -0.276 122 HD21 LEU 21 3HD2 LEU 21 12.284 2.677 -3.104 123 HD22 LEU 21 1HD2 LEU 21 10.574 2.615 -3.532 124 HD23 LEU 21 2HD2 LEU 21 11.176 1.674 -2.167 125 H LEU 22 H LEU 22 7.409 5.768 -0.998 126 HA LEU 22 HA LEU 22 5.830 6.539 -3.173 127 HB2 LEU 22 1HB LEU 22 5.350 6.359 -0.226 128 HB3 LEU 22 2HB LEU 22 4.108 7.014 -1.290 129 HG LEU 22 HG LEU 22 5.304 4.265 -1.607 130 HD11 LEU 22 1HD1 LEU 22 2.725 5.062 -0.265 131 HD12 LEU 22 2HD1 LEU 22 4.162 4.441 0.546 132 HD13 LEU 22 3HD1 LEU 22 3.270 3.414 -0.577 133 HD21 LEU 22 3HD2 LEU 22 4.376 4.854 -3.652 134 HD22 LEU 22 1HD2 LEU 22 3.069 5.774 -2.908 135 HD23 LEU 22 2HD2 LEU 22 3.052 4.011 -2.847 136 H GLN 23 H GLN 23 6.178 8.409 -0.157 137 HA GLN 23 HA GLN 23 5.121 10.778 -0.921 138 HB2 GLN 23 1HB GLN 23 7.515 10.227 0.818 139 HB3 GLN 23 2HB GLN 23 6.894 11.857 0.592 140 HG2 GLN 23 1HG GLN 23 4.734 11.168 1.484 141 HG3 GLN 23 2HG GLN 23 5.340 9.526 1.694 142 HE21 GLN 23 1HE2 GLN 23 4.276 11.110 3.754 143 HE22 GLN 23 2HE2 GLN 23 5.533 11.425 4.897 144 H ALA 24 H ALA 24 8.430 9.699 -1.587 145 HA ALA 24 HA ALA 24 9.426 12.006 -2.767 146 HB1 ALA 24 1HB ALA 24 11.204 10.680 -2.803 147 HB2 ALA 24 2HB ALA 24 10.195 9.250 -2.582 148 HB3 ALA 24 3HB ALA 24 10.517 9.859 -4.205 149 H LYS 25 H LYS 25 7.509 9.397 -4.183 150 HA LYS 25 HA LYS 25 7.683 10.166 -6.866 151 HB2 LYS 25 1HB LYS 25 6.788 8.011 -6.275 152 HB3 LYS 25 2HB LYS 25 5.479 8.751 -5.360 153 HG2 LYS 25 1HG LYS 25 4.386 8.195 -7.284 154 HG3 LYS 25 2HG LYS 25 4.897 9.839 -7.673 155 HD2 LYS 25 1HD LYS 25 6.758 7.624 -8.345 156 HD3 LYS 25 2HD LYS 25 5.301 7.795 -9.328 157 HE2 LYS 25 1HE LYS 25 5.912 9.902 -10.091 158 HE3 LYS 25 2HE LYS 25 7.028 10.170 -8.752 159 HZ1 LYS 25 3HZ LYS 25 8.160 8.067 -9.904 160 HZ2 LYS 25 1HZ LYS 25 8.539 9.662 -10.322 161 HZ3 LYS 25 2HZ LYS 25 7.450 8.776 -11.266 162 H GLY 26 H GLY 26 5.591 11.282 -4.266 163 HA2 GLY 26 1HA GLY 26 4.224 13.121 -4.109 164 HA3 GLY 26 2HA GLY 26 5.098 13.771 -5.489 165 H GLU 27 H GLU 27 3.368 10.737 -5.625 166 HA GLU 27 HA GLU 27 1.377 12.025 -7.376 167 HB2 GLU 27 1HB GLU 27 2.855 9.435 -7.622 168 HB3 GLU 27 2HB GLU 27 1.245 9.572 -8.315 169 HG2 GLU 27 1HG GLU 27 2.247 11.752 -9.384 170 HG3 GLU 27 2HG GLU 27 3.774 10.918 -9.105 171 HA PRO 28 HA PRO 28 -1.508 10.614 -4.301 172 HB2 PRO 28 1HB PRO 28 -3.745 11.421 -5.611 173 HB3 PRO 28 2HB PRO 28 -2.681 12.538 -4.749 174 HG2 PRO 28 1HG PRO 28 -2.816 11.929 -7.677 175 HG3 PRO 28 2HG PRO 28 -2.646 13.497 -6.868 176 HD2 PRO 28 1HD PRO 28 -0.544 12.186 -7.961 177 HD3 PRO 28 2HD PRO 28 -0.385 13.217 -6.523 178 H TRP 29 H TRP 29 -2.726 8.807 -4.002 179 HA TRP 29 HA TRP 29 -3.739 6.810 -4.412 180 HB2 TRP 29 1HB TRP 29 -3.999 7.559 -7.316 181 HB3 TRP 29 2HB TRP 29 -5.056 6.538 -6.345 182 HD1 TRP 29 HD TRP 29 -5.482 9.538 -8.011 183 HE1 TRP 29 1HE TRP 29 -6.968 11.237 -6.773 184 HE3 TRP 29 3HE TRP 29 -5.270 7.531 -3.314 185 HZ2 TRP 29 2HZ TRP 29 -7.923 11.669 -4.153 186 HZ3 TRP 29 3HZ TRP 29 -6.497 8.648 -1.498 187 HH2 TRP 29 HH TRP 29 -7.795 10.674 -1.910 188 H THR 30 H THR 30 -0.894 7.103 -4.608 189 HA THR 30 HA THR 30 -0.138 5.258 -6.751 190 HB THR 30 HB THR 30 1.600 6.806 -4.820 191 HG1 THR 30 1HG THR 30 0.522 8.078 -6.435 192 HG21 THR 30 3HG2 THR 30 2.975 5.051 -5.380 193 HG22 THR 30 1HG2 THR 30 3.309 6.152 -6.716 194 HG23 THR 30 2HG2 THR 30 2.199 4.799 -6.944 195 H PHE 31 H PHE 31 -0.764 3.250 -6.080 196 HA PHE 31 HA PHE 31 -0.108 2.340 -3.400 197 HB2 PHE 31 1HB PHE 31 -1.407 0.399 -3.894 198 HB3 PHE 31 2HB PHE 31 -2.282 1.775 -4.560 199 HD1 PHE 31 1HD PHE 31 -2.190 2.208 -7.016 200 HD2 PHE 31 2HD PHE 31 -0.667 -1.361 -5.266 201 HE1 PHE 31 1HE PHE 31 -2.243 1.110 -9.217 202 HE2 PHE 31 2HE PHE 31 -0.716 -2.464 -7.465 203 HZ PHE 31 HZ PHE 31 -1.505 -1.229 -9.444 204 H LEU 32 H LEU 32 0.927 0.161 -3.158 205 HA LEU 32 HA LEU 32 2.633 -0.827 -5.214 206 HB2 LEU 32 1HB LEU 32 4.707 -0.076 -4.579 207 HB3 LEU 32 2HB LEU 32 3.713 1.356 -4.317 208 HG LEU 32 HG LEU 32 3.591 0.374 -1.859 209 HD11 LEU 32 1HD1 LEU 32 6.394 -0.390 -2.364 210 HD12 LEU 32 2HD1 LEU 32 5.166 -1.534 -2.902 211 HD13 LEU 32 3HD1 LEU 32 5.227 -1.037 -1.211 212 HD21 LEU 32 3HD2 LEU 32 5.023 2.395 -3.177 213 HD22 LEU 32 1HD2 LEU 32 6.171 1.604 -2.096 214 HD23 LEU 32 2HD2 LEU 32 4.670 2.270 -1.453 215 H VAL 33 H VAL 33 3.009 -2.913 -4.821 216 HA VAL 33 HA VAL 33 2.322 -3.979 -2.195 217 HB VAL 33 HB VAL 33 3.026 -5.508 -4.702 218 HG11 VAL 33 1HG1 VAL 33 3.233 -6.762 -2.597 219 HG12 VAL 33 2HG1 VAL 33 1.556 -6.366 -2.211 220 HG13 VAL 33 3HG1 VAL 33 1.926 -7.373 -3.610 221 HG21 VAL 33 3HG2 VAL 33 1.116 -4.575 -5.472 222 HG22 VAL 33 1HG2 VAL 33 0.362 -5.812 -4.465 223 HG23 VAL 33 2HG2 VAL 33 0.538 -4.165 -3.857 224 H ARG 34 H ARG 34 3.748 -4.793 -0.783 225 HA ARG 34 HA ARG 34 6.429 -5.526 -1.655 226 HB2 ARG 34 1HB ARG 34 7.452 -4.159 0.178 227 HB3 ARG 34 2HB ARG 34 6.765 -3.213 -1.136 228 HG2 ARG 34 1HG ARG 34 4.912 -2.563 0.161 229 HG3 ARG 34 2HG ARG 34 5.252 -3.779 1.393 230 HD2 ARG 34 1HD ARG 34 7.225 -2.609 2.092 231 HD3 ARG 34 2HD ARG 34 7.085 -1.477 0.747 232 HE ARG 34 HE ARG 34 5.460 -0.325 1.908 233 HH11 ARG 34 2HH1 ARG 34 6.179 -3.327 3.519 234 HH12 ARG 34 1HH1 ARG 34 5.303 -2.917 4.955 235 HH21 ARG 34 2HH2 ARG 34 4.302 0.226 3.794 236 HH22 ARG 34 1HH2 ARG 34 4.234 -0.896 5.110 237 H GLU 35 H GLU 35 7.096 -7.309 -0.644 238 HA GLU 35 HA GLU 35 5.582 -8.885 0.967 239 HB2 GLU 35 1HB GLU 35 7.999 -9.190 -0.109 240 HB3 GLU 35 2HB GLU 35 8.502 -8.866 1.544 241 HG2 GLU 35 1HG GLU 35 6.649 -10.706 2.044 242 HG3 GLU 35 2HG GLU 35 7.088 -11.201 0.411 243 H SER 36 H SER 36 5.501 -9.359 3.202 244 HA SER 36 HA SER 36 5.698 -7.000 4.867 245 HB2 SER 36 1HB SER 36 3.784 -8.765 4.837 246 HB3 SER 36 2HB SER 36 4.862 -9.707 5.866 247 HG SER 36 HG SER 36 4.518 -8.367 7.465 248 H LEU 37 H LEU 37 6.715 -7.036 6.981 249 HA LEU 37 HA LEU 37 9.211 -8.583 6.931 250 HB2 LEU 37 1HB LEU 37 8.442 -5.908 7.939 251 HB3 LEU 37 2HB LEU 37 9.657 -6.790 8.862 252 HG LEU 37 HG LEU 37 10.437 -5.117 7.070 253 HD11 LEU 37 1HD1 LEU 37 11.541 -7.912 6.901 254 HD12 LEU 37 2HD1 LEU 37 11.823 -6.831 8.264 255 HD13 LEU 37 3HD1 LEU 37 12.400 -6.391 6.657 256 HD21 LEU 37 3HD2 LEU 37 9.019 -5.768 5.253 257 HD22 LEU 37 1HD2 LEU 37 9.581 -7.438 5.347 258 HD23 LEU 37 2HD2 LEU 37 10.684 -6.164 4.822 259 H SER 38 H SER 38 7.126 -7.199 9.475 260 HA SER 38 HA SER 38 7.850 -8.744 11.585 261 HB2 SER 38 1HB SER 38 6.254 -7.007 11.936 262 HB3 SER 38 2HB SER 38 5.102 -7.747 10.824 263 HG SER 38 HG SER 38 5.940 -9.246 13.025 264 H GLN 39 H GLN 39 4.839 -9.551 9.875 265 HA GLN 39 HA GLN 39 5.119 -12.321 10.644 266 HB2 GLN 39 1HB GLN 39 2.934 -11.029 10.614 267 HB3 GLN 39 2HB GLN 39 2.998 -11.132 8.859 268 HG2 GLN 39 1HG GLN 39 1.687 -12.932 9.323 269 HG3 GLN 39 2HG GLN 39 3.275 -13.696 9.339 270 HE21 GLN 39 1HE2 GLN 39 1.338 -11.816 11.647 271 HE22 GLN 39 2HE2 GLN 39 1.496 -12.936 12.953 272 HA PRO 40 HA PRO 40 7.197 -13.543 6.934 273 HB2 PRO 40 1HB PRO 40 6.926 -16.225 7.265 274 HB3 PRO 40 2HB PRO 40 8.081 -15.256 8.187 275 HG2 PRO 40 1HG PRO 40 5.370 -16.242 8.988 276 HG3 PRO 40 2HG PRO 40 6.874 -16.213 9.928 277 HD2 PRO 40 1HD PRO 40 4.923 -14.361 10.243 278 HD3 PRO 40 2HD PRO 40 6.643 -13.983 10.465 279 H GLY 41 H GLY 41 6.656 -14.139 4.869 280 HA2 GLY 41 1HA GLY 41 5.359 -14.869 3.102 281 HA3 GLY 41 2HA GLY 41 4.271 -15.614 4.264 282 H ASP 42 H ASP 42 3.448 -13.465 5.752 283 HA ASP 42 HA ASP 42 1.303 -12.457 4.427 284 HB2 ASP 42 1HB ASP 42 1.779 -12.209 6.874 285 HB3 ASP 42 2HB ASP 42 2.875 -10.887 6.479 286 H PHE 43 H PHE 43 0.853 -10.143 3.804 287 HA PHE 43 HA PHE 43 3.139 -8.938 2.401 288 HB2 PHE 43 1HB PHE 43 0.361 -9.282 1.251 289 HB3 PHE 43 2HB PHE 43 1.714 -8.479 0.462 290 HD1 PHE 43 1HD PHE 43 0.868 -11.760 2.019 291 HD2 PHE 43 2HD PHE 43 2.948 -9.679 -1.057 292 HE1 PHE 43 1HE PHE 43 1.564 -13.908 1.039 293 HE2 PHE 43 2HE PHE 43 3.645 -11.822 -2.042 294 HZ PHE 43 HZ PHE 43 2.953 -13.941 -0.994 295 H VAL 44 H VAL 44 2.474 -6.676 1.555 296 HA VAL 44 HA VAL 44 0.674 -5.329 3.439 297 HB VAL 44 HB VAL 44 3.451 -4.321 2.811 298 HG11 VAL 44 1HG1 VAL 44 1.398 -3.306 4.773 299 HG12 VAL 44 2HG1 VAL 44 2.990 -2.613 4.461 300 HG13 VAL 44 3HG1 VAL 44 1.751 -2.578 3.207 301 HG21 VAL 44 3HG2 VAL 44 3.971 -4.827 5.154 302 HG22 VAL 44 1HG2 VAL 44 2.380 -5.563 5.342 303 HG23 VAL 44 2HG2 VAL 44 3.561 -6.283 4.249 304 H LEU 45 H LEU 45 -0.172 -3.341 2.703 305 HA LEU 45 HA LEU 45 0.273 -2.783 -0.154 306 HB2 LEU 45 1HB LEU 45 -1.835 -3.911 0.051 307 HB3 LEU 45 2HB LEU 45 -2.331 -2.839 1.358 308 HG LEU 45 HG LEU 45 -2.373 -0.960 -0.258 309 HD11 LEU 45 1HD1 LEU 45 -2.362 -1.527 -2.671 310 HD12 LEU 45 2HD1 LEU 45 -1.796 -3.144 -2.252 311 HD13 LEU 45 3HD1 LEU 45 -0.794 -1.738 -1.891 312 HD21 LEU 45 3HD2 LEU 45 -4.082 -3.255 -1.194 313 HD22 LEU 45 1HD2 LEU 45 -4.459 -1.532 -1.228 314 HD23 LEU 45 2HD2 LEU 45 -4.370 -2.384 0.314 315 H SER 46 H SER 46 1.443 -0.950 -0.066 316 HA SER 46 HA SER 46 0.608 1.187 1.755 317 HB2 SER 46 1HB SER 46 3.076 1.177 0.019 318 HB3 SER 46 2HB SER 46 2.763 2.144 1.460 319 HG SER 46 HG SER 46 3.178 -0.660 1.329 320 H VAL 47 H VAL 47 -0.219 3.082 1.068 321 HA VAL 47 HA VAL 47 -0.205 3.682 -1.802 322 HB VAL 47 HB VAL 47 -2.685 3.656 -0.078 323 HG11 VAL 47 1HG1 VAL 47 -2.088 4.902 -2.716 324 HG12 VAL 47 2HG1 VAL 47 -3.690 4.213 -2.443 325 HG13 VAL 47 3HG1 VAL 47 -3.087 5.493 -1.390 326 HG21 VAL 47 3HG2 VAL 47 -3.193 1.682 -0.982 327 HG22 VAL 47 1HG2 VAL 47 -2.778 2.236 -2.604 328 HG23 VAL 47 2HG2 VAL 47 -1.520 1.612 -1.537 329 H LEU 48 H LEU 48 -0.211 5.847 -2.310 330 HA LEU 48 HA LEU 48 0.254 7.659 -0.058 331 HB2 LEU 48 1HB LEU 48 1.894 7.397 -1.977 332 HB3 LEU 48 2HB LEU 48 0.709 8.238 -2.973 333 HG LEU 48 HG LEU 48 0.888 10.186 -1.436 334 HD11 LEU 48 1HD1 LEU 48 2.927 10.236 0.025 335 HD12 LEU 48 2HD1 LEU 48 3.052 8.492 -0.207 336 HD13 LEU 48 3HD1 LEU 48 1.631 9.177 0.582 337 HD21 LEU 48 3HD2 LEU 48 3.183 9.149 -3.034 338 HD22 LEU 48 1HD2 LEU 48 3.375 10.643 -2.116 339 HD23 LEU 48 2HD2 LEU 48 2.118 10.520 -3.347 340 H SER 49 H SER 49 -1.746 8.292 0.624 341 HA SER 49 HA SER 49 -3.986 8.806 -0.923 342 HB2 SER 49 1HB SER 49 -4.693 10.297 1.004 343 HB3 SER 49 2HB SER 49 -4.240 8.651 1.446 344 HG SER 49 HG SER 49 -2.023 9.880 1.633 345 H ASP 50 H ASP 50 -4.990 10.825 -1.527 346 HA ASP 50 HA ASP 50 -3.106 12.611 -2.783 347 HB2 ASP 50 1HB ASP 50 -5.090 11.952 -4.017 348 HB3 ASP 50 2HB ASP 50 -6.130 12.590 -2.746 349 H GLN 51 H GLN 51 -4.184 12.432 0.272 350 HA GLN 51 HA GLN 51 -4.613 15.292 0.665 351 HB2 GLN 51 1HB GLN 51 -4.814 12.933 2.538 352 HB3 GLN 51 2HB GLN 51 -5.028 14.601 3.053 353 HG2 GLN 51 1HG GLN 51 -6.972 14.858 1.727 354 HG3 GLN 51 2HG GLN 51 -6.677 13.337 0.885 355 HE21 GLN 51 1HE2 GLN 51 -7.553 11.532 1.666 356 HE22 GLN 51 2HE2 GLN 51 -8.375 11.398 3.180 357 HA PRO 52 HA PRO 52 -0.245 15.678 1.543 358 HB2 PRO 52 1HB PRO 52 -0.301 18.367 1.913 359 HB3 PRO 52 2HB PRO 52 -0.316 17.617 0.312 360 HG2 PRO 52 1HG PRO 52 -2.598 18.705 1.914 361 HG3 PRO 52 2HG PRO 52 -2.260 18.885 0.183 362 HD2 PRO 52 1HD PRO 52 -4.065 17.107 1.138 363 HD3 PRO 52 2HD PRO 52 -3.110 16.804 -0.328 364 H LYS 53 H LYS 53 1.014 16.067 3.372 365 HA LYS 53 HA LYS 53 -0.152 15.589 5.863 366 HB2 LYS 53 1HB LYS 53 2.547 16.581 5.004 367 HB3 LYS 53 2HB LYS 53 2.137 16.498 6.712 368 HG2 LYS 53 1HG LYS 53 1.489 14.055 6.210 369 HG3 LYS 53 2HG LYS 53 2.435 14.273 4.737 370 HD2 LYS 53 1HD LYS 53 4.077 13.504 6.124 371 HD3 LYS 53 2HD LYS 53 4.208 15.232 6.456 372 HE2 LYS 53 1HE LYS 53 2.805 14.974 8.429 373 HE3 LYS 53 2HE LYS 53 2.609 13.256 8.083 374 HZ1 LYS 53 3HZ LYS 53 4.604 12.780 8.939 375 HZ2 LYS 53 1HZ LYS 53 4.496 14.291 9.694 376 HZ3 LYS 53 2HZ LYS 53 5.354 14.129 8.245 377 H ALA 54 H ALA 54 0.880 18.620 4.359 378 HA ALA 54 HA ALA 54 -0.597 20.065 6.460 379 HB1 ALA 54 1HB ALA 54 1.195 21.921 5.645 380 HB2 ALA 54 2HB ALA 54 1.421 20.868 7.042 381 HB3 ALA 54 3HB ALA 54 2.151 20.446 5.492 382 H GLY 55 H GLY 55 0.823 20.578 3.218 383 HA2 GLY 55 1HA GLY 55 -1.707 21.251 2.071 384 HA3 GLY 55 2HA GLY 55 -0.745 22.686 2.394 385 HA PRO 56 HA PRO 56 0.415 21.457 -1.846 386 HB2 PRO 56 1HB PRO 56 0.936 23.994 -2.659 387 HB3 PRO 56 2HB PRO 56 -0.692 23.305 -2.646 388 HG2 PRO 56 1HG PRO 56 0.614 25.114 -0.650 389 HG3 PRO 56 2HG PRO 56 -1.032 25.173 -1.304 390 HD2 PRO 56 1HD PRO 56 -0.469 24.132 1.131 391 HD3 PRO 56 2HD PRO 56 -1.790 23.523 0.115 392 H GLY 57 H GLY 57 2.305 20.439 -0.900 393 HA2 GLY 57 1HA GLY 57 4.716 21.102 -1.787 394 HA3 GLY 57 2HA GLY 57 4.608 22.153 -0.383 395 H SER 58 H SER 58 2.990 20.104 1.064 396 HA SER 58 HA SER 58 5.219 18.702 2.221 397 HB2 SER 58 1HB SER 58 3.599 17.894 3.863 398 HB3 SER 58 2HB SER 58 3.395 19.629 3.616 399 HG SER 58 HG SER 58 1.791 18.699 1.907 400 HA PRO 59 HA PRO 59 4.907 14.865 0.112 401 HB2 PRO 59 1HB PRO 59 5.651 13.137 2.070 402 HB3 PRO 59 2HB PRO 59 6.789 14.222 1.262 403 HG2 PRO 59 1HG PRO 59 5.434 14.532 3.913 404 HG3 PRO 59 2HG PRO 59 7.121 14.861 3.474 405 HD2 PRO 59 1HD PRO 59 5.265 16.819 3.696 406 HD3 PRO 59 2HD PRO 59 6.610 16.906 2.542 407 H LEU 60 H LEU 60 2.960 14.106 -0.451 408 HA LEU 60 HA LEU 60 0.640 13.927 0.869 409 HB2 LEU 60 1HB LEU 60 1.825 11.961 -1.069 410 HB3 LEU 60 2HB LEU 60 0.173 11.810 -0.473 411 HG LEU 60 HG LEU 60 1.267 14.141 -2.048 412 HD11 LEU 60 1HD1 LEU 60 -0.186 11.658 -2.797 413 HD12 LEU 60 2HD1 LEU 60 1.068 12.542 -3.665 414 HD13 LEU 60 3HD1 LEU 60 -0.585 13.154 -3.643 415 HD21 LEU 60 3HD2 LEU 60 -0.461 14.884 -0.553 416 HD22 LEU 60 1HD2 LEU 60 -1.496 13.531 -1.010 417 HD23 LEU 60 2HD2 LEU 60 -1.125 14.793 -2.185 418 H ARG 61 H ARG 61 -0.486 12.430 2.150 419 HA ARG 61 HA ARG 61 1.115 11.124 4.124 420 HB2 ARG 61 1HB ARG 61 -1.289 12.234 4.262 421 HB3 ARG 61 2HB ARG 61 -1.812 10.595 3.898 422 HG2 ARG 61 1HG ARG 61 -1.825 10.523 6.173 423 HG3 ARG 61 2HG ARG 61 -0.170 9.993 5.864 424 HD2 ARG 61 1HD ARG 61 0.674 12.202 6.290 425 HD3 ARG 61 2HD ARG 61 -0.962 12.846 6.421 426 HE ARG 61 HE ARG 61 -0.429 10.757 8.306 427 HH11 ARG 61 2HH1 ARG 61 -0.086 14.163 7.672 428 HH12 ARG 61 1HH1 ARG 61 -0.005 14.599 9.346 429 HH21 ARG 61 2HH2 ARG 61 -0.324 11.319 10.514 430 HH22 ARG 61 1HH2 ARG 61 -0.140 12.981 10.963 431 H VAL 62 H VAL 62 1.265 8.923 4.589 432 HA VAL 62 HA VAL 62 0.655 7.156 2.313 433 HB VAL 62 HB VAL 62 2.692 6.650 4.480 434 HG11 VAL 62 1HG1 VAL 62 3.570 5.176 2.506 435 HG12 VAL 62 2HG1 VAL 62 2.257 4.596 3.532 436 HG13 VAL 62 3HG1 VAL 62 1.901 5.283 1.947 437 HG21 VAL 62 3HG2 VAL 62 2.837 8.318 2.068 438 HG22 VAL 62 1HG2 VAL 62 3.830 8.337 3.525 439 HG23 VAL 62 2HG2 VAL 62 4.155 7.160 2.252 440 H THR 63 H THR 63 -0.215 5.103 2.685 441 HA THR 63 HA THR 63 -1.328 4.670 5.380 442 HB THR 63 HB THR 63 -2.701 4.209 2.727 443 HG1 THR 63 1HG THR 63 -3.968 5.870 3.333 444 HG21 THR 63 3HG2 THR 63 -3.146 2.361 4.291 445 HG22 THR 63 1HG2 THR 63 -4.584 3.341 4.006 446 HG23 THR 63 2HG2 THR 63 -3.672 3.527 5.505 447 H HIS 64 H HIS 64 -0.536 2.881 6.253 448 HA HIS 64 HA HIS 64 0.439 0.742 4.504 449 HB2 HIS 64 1HB HIS 64 0.853 1.048 7.483 450 HB3 HIS 64 2HB HIS 64 1.704 -0.049 6.399 451 HD1 HIS 64 1HD HIS 64 2.995 1.415 4.350 452 HD2 HIS 64 2HD HIS 64 2.325 3.237 8.023 453 HE1 HIS 64 1HE HIS 64 4.622 3.330 4.457 454 HE2 HIS 64 2HE HIS 64 4.256 4.366 6.723 455 H ILE 65 H ILE 65 -0.789 -0.980 4.175 456 HA ILE 65 HA ILE 65 -2.660 -1.807 6.294 457 HB ILE 65 HB ILE 65 -3.175 -1.797 3.319 458 HG12 ILE 65 1HG1 ILE 65 -4.858 -0.488 5.435 459 HG13 ILE 65 2HG1 ILE 65 -3.440 0.332 4.791 460 HG21 ILE 65 1HG2 ILE 65 -4.101 -3.632 5.200 461 HG22 ILE 65 2HG2 ILE 65 -5.435 -2.504 4.963 462 HG23 ILE 65 3HG2 ILE 65 -4.742 -3.352 3.581 463 HD11 ILE 65 3HD1 ILE 65 -5.319 -0.758 2.803 464 HD12 ILE 65 1HD1 ILE 65 -5.899 0.594 3.773 465 HD13 ILE 65 2HD1 ILE 65 -4.427 0.763 2.817 466 H LYS 66 H LYS 66 -1.957 -3.675 7.079 467 HA LYS 66 HA LYS 66 -0.237 -5.440 5.666 468 HB2 LYS 66 1HB LYS 66 -1.708 -5.570 8.277 469 HB3 LYS 66 2HB LYS 66 -0.911 -7.005 7.644 470 HG2 LYS 66 1HG LYS 66 1.161 -5.469 7.440 471 HG3 LYS 66 2HG LYS 66 0.291 -4.432 8.573 472 HD2 LYS 66 1HD LYS 66 0.275 -6.097 10.241 473 HD3 LYS 66 2HD LYS 66 0.728 -7.361 9.096 474 HE2 LYS 66 1HE LYS 66 2.708 -6.949 10.236 475 HE3 LYS 66 2HE LYS 66 2.883 -5.980 8.774 476 HZ1 LYS 66 3HZ LYS 66 1.694 -4.709 11.126 477 HZ2 LYS 66 1HZ LYS 66 2.676 -4.043 9.918 478 HZ3 LYS 66 2HZ LYS 66 3.363 -4.988 11.142 479 H VAL 67 H VAL 67 -0.798 -6.787 4.099 480 HA VAL 67 HA VAL 67 -3.571 -7.556 3.733 481 HB VAL 67 HB VAL 67 -1.128 -8.214 2.081 482 HG11 VAL 67 1HG1 VAL 67 -3.504 -8.399 0.573 483 HG12 VAL 67 2HG1 VAL 67 -2.391 -9.695 1.013 484 HG13 VAL 67 3HG1 VAL 67 -3.762 -9.317 2.057 485 HG21 VAL 67 3HG2 VAL 67 -3.199 -6.447 0.991 486 HG22 VAL 67 1HG2 VAL 67 -2.309 -5.781 2.360 487 HG23 VAL 67 2HG2 VAL 67 -1.443 -6.315 0.920 488 H MET 68 H MET 68 -4.271 -9.157 5.009 489 HA MET 68 HA MET 68 -2.614 -11.225 6.027 490 HB2 MET 68 1HB MET 68 -5.542 -10.642 6.036 491 HB3 MET 68 2HB MET 68 -5.009 -12.263 6.464 492 HG2 MET 68 1HG MET 68 -3.751 -11.459 8.303 493 HG3 MET 68 2HG MET 68 -3.946 -9.786 7.788 494 HE1 MET 68 3HE MET 68 -7.639 -10.197 7.269 495 HE2 MET 68 1HE MET 68 -7.466 -8.871 8.419 496 HE3 MET 68 2HE MET 68 -6.308 -9.051 7.102 497 H CYS 69 H CYS 69 -2.831 -13.516 5.613 498 HA CYS 69 HA CYS 69 -3.828 -14.176 2.930 499 HB2 CYS 69 1HB CYS 69 -1.397 -13.837 2.777 500 HB3 CYS 69 2HB CYS 69 -1.149 -15.020 4.055 501 HG CYS 69 HG CYS 69 -0.822 -16.952 2.410 502 H GLU 70 H GLU 70 -5.155 -15.861 2.964 503 HA GLU 70 HA GLU 70 -4.980 -17.728 5.237 504 HB2 GLU 70 1HB GLU 70 -7.404 -16.998 3.581 505 HB3 GLU 70 2HB GLU 70 -7.382 -18.139 4.920 506 HG2 GLU 70 1HG GLU 70 -6.587 -15.266 5.254 507 HG3 GLU 70 2HG GLU 70 -8.258 -15.808 5.393 508 H GLY 71 H GLY 71 -3.545 -19.160 4.238 509 HA2 GLY 71 1HA GLY 71 -2.951 -20.971 2.961 510 HA3 GLY 71 2HA GLY 71 -4.676 -21.250 2.769 511 H GLY 72 H GLY 72 -2.517 -18.650 1.633 512 HA2 GLY 72 1HA GLY 72 -1.790 -18.426 -0.633 513 HA3 GLY 72 2HA GLY 72 -3.137 -19.440 -1.129 514 H ARG 73 H ARG 73 -5.277 -18.246 0.058 515 HA ARG 73 HA ARG 73 -5.779 -16.073 -1.673 516 HB2 ARG 73 1HB ARG 73 -7.304 -16.954 0.785 517 HB3 ARG 73 2HB ARG 73 -7.903 -15.849 -0.445 518 HG2 ARG 73 1HG ARG 73 -7.437 -17.807 -2.076 519 HG3 ARG 73 2HG ARG 73 -7.444 -18.793 -0.613 520 HD2 ARG 73 1HD ARG 73 -9.654 -18.903 -1.251 521 HD3 ARG 73 2HD ARG 73 -9.681 -17.548 -0.122 522 HE ARG 73 HE ARG 73 -10.279 -16.187 -1.852 523 HH11 ARG 73 2HH1 ARG 73 -8.866 -19.090 -3.154 524 HH12 ARG 73 1HH1 ARG 73 -9.221 -18.680 -4.800 525 HH21 ARG 73 2HH2 ARG 73 -10.752 -15.636 -4.013 526 HH22 ARG 73 1HH2 ARG 73 -10.293 -16.715 -5.288 527 H TYR 74 H TYR 74 -6.383 -13.885 -1.052 528 HA TYR 74 HA TYR 74 -4.924 -12.937 1.326 529 HB2 TYR 74 1HB TYR 74 -5.138 -11.557 -1.358 530 HB3 TYR 74 2HB TYR 74 -4.336 -10.905 0.067 531 HD1 TYR 74 1HD TYR 74 -2.805 -13.142 1.088 532 HD2 TYR 74 2HD TYR 74 -3.506 -11.981 -2.945 533 HE1 TYR 74 1HE TYR 74 -0.709 -14.238 0.414 534 HE2 TYR 74 2HE TYR 74 -1.413 -13.075 -3.630 535 HH TYR 74 HH TYR 74 0.822 -13.687 -2.429 536 H THR 75 H THR 75 -5.750 -11.040 2.340 537 HA THR 75 HA THR 75 -8.277 -9.938 1.506 538 HB THR 75 HB THR 75 -8.870 -12.100 2.701 539 HG1 THR 75 1HG THR 75 -9.933 -9.952 4.164 540 HG21 THR 75 3HG2 THR 75 -7.042 -11.601 4.486 541 HG22 THR 75 1HG2 THR 75 -8.561 -12.345 4.987 542 HG23 THR 75 2HG2 THR 75 -8.298 -10.619 5.240 543 H VAL 76 H VAL 76 -9.124 -8.429 3.339 544 HA VAL 76 HA VAL 76 -6.914 -7.279 4.878 545 HB VAL 76 HB VAL 76 -7.505 -5.000 4.167 546 HG11 VAL 76 1HG1 VAL 76 -6.941 -6.527 1.659 547 HG12 VAL 76 2HG1 VAL 76 -6.230 -5.018 2.236 548 HG13 VAL 76 3HG1 VAL 76 -5.785 -6.549 2.990 549 HG21 VAL 76 3HG2 VAL 76 -9.580 -4.779 3.333 550 HG22 VAL 76 1HG2 VAL 76 -8.829 -5.213 1.798 551 HG23 VAL 76 2HG2 VAL 76 -9.637 -6.447 2.766 552 H GLY 77 H GLY 77 -7.688 -7.535 6.889 553 HA2 GLY 77 1HA GLY 77 -9.218 -7.608 8.632 554 HA3 GLY 77 2HA GLY 77 -9.465 -5.942 8.128 555 H GLY 78 H GLY 78 -10.306 -8.586 6.022 556 HA2 GLY 78 1HA GLY 78 -13.136 -8.331 6.770 557 HA3 GLY 78 2HA GLY 78 -12.667 -8.005 5.107 558 H LEU 79 H LEU 79 -14.429 -10.087 6.276 559 HA LEU 79 HA LEU 79 -13.211 -12.605 6.239 560 HB2 LEU 79 1HB LEU 79 -15.993 -11.615 5.827 561 HB3 LEU 79 2HB LEU 79 -15.623 -13.301 5.470 562 HG LEU 79 HG LEU 79 -14.751 -13.472 7.842 563 HD11 LEU 79 1HD1 LEU 79 -14.435 -11.426 8.752 564 HD12 LEU 79 2HD1 LEU 79 -16.114 -11.649 9.243 565 HD13 LEU 79 3HD1 LEU 79 -15.734 -10.685 7.816 566 HD21 LEU 79 3HD2 LEU 79 -17.090 -13.551 8.794 567 HD22 LEU 79 1HD2 LEU 79 -16.819 -14.494 7.329 568 HD23 LEU 79 2HD2 LEU 79 -17.650 -12.941 7.237 569 H GLU 80 H GLU 80 -14.194 -10.496 3.661 570 HA GLU 80 HA GLU 80 -14.479 -12.240 1.537 571 HB2 GLU 80 1HB GLU 80 -13.422 -9.436 1.725 572 HB3 GLU 80 2HB GLU 80 -13.442 -10.281 0.184 573 HG2 GLU 80 1HG GLU 80 -15.712 -10.238 0.023 574 HG3 GLU 80 2HG GLU 80 -15.947 -10.226 1.771 575 H THR 81 H THR 81 -12.816 -12.282 -0.362 576 HA THR 81 HA THR 81 -10.055 -12.521 0.455 577 HB THR 81 HB THR 81 -9.808 -14.875 -0.184 578 HG1 THR 81 1HG THR 81 -11.825 -16.101 -0.378 579 HG21 THR 81 3HG2 THR 81 -10.271 -14.218 2.187 580 HG22 THR 81 1HG2 THR 81 -10.751 -15.865 1.785 581 HG23 THR 81 2HG2 THR 81 -11.970 -14.596 1.903 582 H PHE 82 H PHE 82 -8.692 -13.340 -1.425 583 HA PHE 82 HA PHE 82 -9.879 -12.930 -4.046 584 HB2 PHE 82 1HB PHE 82 -7.613 -11.197 -3.038 585 HB3 PHE 82 2HB PHE 82 -8.228 -11.214 -4.687 586 HD1 PHE 82 2HD PHE 82 -8.907 -10.210 -1.234 587 HD2 PHE 82 1HD PHE 82 -10.310 -10.156 -5.251 588 HE1 PHE 82 2HE PHE 82 -10.558 -8.488 -0.630 589 HE2 PHE 82 1HE PHE 82 -11.963 -8.434 -4.655 590 HZ PHE 82 HZ PHE 82 -12.089 -7.598 -2.341 591 H ASP 83 H ASP 83 -8.843 -14.028 -5.642 592 HA ASP 83 HA ASP 83 -7.329 -16.221 -5.180 593 HB2 ASP 83 1HB ASP 83 -8.310 -15.679 -7.370 594 HB3 ASP 83 2HB ASP 83 -7.090 -14.430 -7.607 595 H SER 84 H SER 84 -6.008 -13.025 -6.034 596 HA SER 84 HA SER 84 -3.688 -13.485 -4.393 597 HB2 SER 84 1HB SER 84 -2.074 -13.119 -6.283 598 HB3 SER 84 2HB SER 84 -2.921 -14.664 -6.349 599 HG SER 84 HG SER 84 -2.762 -13.160 -8.318 600 H LEU 85 H LEU 85 -2.063 -11.569 -4.824 601 HA LEU 85 HA LEU 85 -3.211 -9.224 -4.022 602 HB2 LEU 85 1HB LEU 85 -0.667 -9.884 -5.410 603 HB3 LEU 85 2HB LEU 85 -1.121 -8.186 -5.276 604 HG LEU 85 HG LEU 85 0.342 -8.645 -3.476 605 HD11 LEU 85 1HD1 LEU 85 -2.155 -7.660 -3.086 606 HD12 LEU 85 2HD1 LEU 85 -0.884 -7.681 -1.866 607 HD13 LEU 85 3HD1 LEU 85 -2.104 -8.954 -1.889 608 HD21 LEU 85 3HD2 LEU 85 -0.547 -11.241 -3.680 609 HD22 LEU 85 1HD2 LEU 85 -1.190 -10.718 -2.124 610 HD23 LEU 85 2HD2 LEU 85 0.541 -10.613 -2.442 611 H THR 86 H THR 86 -2.910 -10.448 -7.279 612 HA THR 86 HA THR 86 -3.478 -8.062 -8.671 613 HB THR 86 HB THR 86 -4.021 -10.921 -9.497 614 HG1 THR 86 1HG THR 86 -1.772 -9.253 -9.551 615 HG21 THR 86 3HG2 THR 86 -4.175 -8.315 -10.969 616 HG22 THR 86 1HG2 THR 86 -5.308 -9.665 -10.974 617 HG23 THR 86 2HG2 THR 86 -3.768 -9.802 -11.824 618 H ASP 87 H ASP 87 -5.612 -10.788 -7.814 619 HA ASP 87 HA ASP 87 -7.983 -9.547 -8.720 620 HB2 ASP 87 1HB ASP 87 -7.652 -12.014 -8.307 621 HB3 ASP 87 2HB ASP 87 -7.781 -11.673 -6.583 622 H LEU 88 H LEU 88 -6.277 -9.500 -5.663 623 HA LEU 88 HA LEU 88 -8.378 -8.332 -4.140 624 HB2 LEU 88 1HB LEU 88 -6.456 -9.571 -3.180 625 HB3 LEU 88 2HB LEU 88 -5.407 -8.231 -3.638 626 HG LEU 88 HG LEU 88 -7.740 -7.674 -1.869 627 HD11 LEU 88 1HD1 LEU 88 -6.000 -9.713 -1.216 628 HD12 LEU 88 2HD1 LEU 88 -6.998 -8.790 -0.093 629 HD13 LEU 88 3HD1 LEU 88 -5.327 -8.309 -0.387 630 HD21 LEU 88 3HD2 LEU 88 -6.136 -5.950 -2.838 631 HD22 LEU 88 1HD2 LEU 88 -4.928 -6.622 -1.742 632 HD23 LEU 88 2HD2 LEU 88 -6.403 -5.904 -1.094 633 H VAL 89 H VAL 89 -5.301 -6.911 -5.265 634 HA VAL 89 HA VAL 89 -5.900 -4.265 -4.679 635 HB VAL 89 HB VAL 89 -4.194 -5.285 -6.956 636 HG11 VAL 89 1HG1 VAL 89 -5.019 -2.739 -6.637 637 HG12 VAL 89 2HG1 VAL 89 -3.570 -2.728 -5.630 638 HG13 VAL 89 3HG1 VAL 89 -3.461 -3.185 -7.330 639 HG21 VAL 89 3HG2 VAL 89 -2.653 -5.866 -5.460 640 HG22 VAL 89 1HG2 VAL 89 -2.769 -4.303 -4.654 641 HG23 VAL 89 2HG2 VAL 89 -3.860 -5.611 -4.200 642 H GLU 90 H GLU 90 -6.116 -5.823 -7.885 643 HA GLU 90 HA GLU 90 -7.200 -3.826 -9.365 644 HB2 GLU 90 1HB GLU 90 -7.747 -6.780 -9.388 645 HB3 GLU 90 2HB GLU 90 -8.540 -5.707 -10.532 646 HG2 GLU 90 1HG GLU 90 -6.065 -4.905 -10.961 647 HG3 GLU 90 2HG GLU 90 -5.691 -6.512 -10.345 648 H HIS 91 H HIS 91 -9.208 -6.244 -7.673 649 HA HIS 91 HA HIS 91 -11.664 -5.024 -8.081 650 HB2 HIS 91 1HB HIS 91 -11.574 -7.268 -7.236 651 HB3 HIS 91 2HB HIS 91 -10.699 -6.752 -5.797 652 HD1 HIS 91 1HD HIS 91 -14.064 -7.335 -7.078 653 HD2 HIS 91 2HD HIS 91 -12.340 -5.169 -3.980 654 HE1 HIS 91 1HE HIS 91 -15.949 -6.800 -5.501 655 HE2 HIS 91 2HE HIS 91 -14.898 -5.417 -3.679 656 H PHE 92 H PHE 92 -9.094 -4.101 -5.999 657 HA PHE 92 HA PHE 92 -10.805 -2.383 -4.378 658 HB2 PHE 92 1HB PHE 92 -8.022 -3.397 -4.175 659 HB3 PHE 92 2HB PHE 92 -8.340 -1.811 -3.480 660 HD1 PHE 92 2HD PHE 92 -10.987 -2.058 -2.362 661 HD2 PHE 92 1HD PHE 92 -7.813 -4.893 -2.440 662 HE1 PHE 92 2HE PHE 92 -11.895 -3.125 -0.340 663 HE2 PHE 92 1HE PHE 92 -8.717 -5.966 -0.419 664 HZ PHE 92 HZ PHE 92 -10.760 -5.082 0.634 665 H LYS 93 H LYS 93 -8.824 -2.245 -7.155 666 HA LYS 93 HA LYS 93 -8.105 0.518 -6.993 667 HB2 LYS 93 1HB LYS 93 -8.198 -1.340 -9.377 668 HB3 LYS 93 2HB LYS 93 -7.445 0.250 -9.357 669 HG2 LYS 93 1HG LYS 93 -6.119 -0.798 -7.326 670 HG3 LYS 93 2HG LYS 93 -6.529 -2.303 -8.154 671 HD2 LYS 93 1HD LYS 93 -5.343 -0.004 -9.665 672 HD3 LYS 93 2HD LYS 93 -4.311 -1.101 -8.746 673 HE2 LYS 93 1HE LYS 93 -5.036 -2.976 -10.031 674 HE3 LYS 93 2HE LYS 93 -6.302 -2.027 -10.807 675 HZ1 LYS 93 3HZ LYS 93 -4.672 -0.763 -11.972 676 HZ2 LYS 93 1HZ LYS 93 -4.305 -2.398 -12.202 677 HZ3 LYS 93 2HZ LYS 93 -3.401 -1.476 -11.110 678 H LYS 94 H LYS 94 -10.942 -1.174 -7.865 679 HA LYS 94 HA LYS 94 -12.015 1.181 -9.263 680 HB2 LYS 94 1HB LYS 94 -13.836 -0.385 -9.990 681 HB3 LYS 94 2HB LYS 94 -12.237 -0.791 -10.598 682 HG2 LYS 94 1HG LYS 94 -12.033 -2.459 -8.765 683 HG3 LYS 94 2HG LYS 94 -13.710 -2.120 -8.335 684 HD2 LYS 94 1HD LYS 94 -14.032 -3.907 -9.720 685 HD3 LYS 94 2HD LYS 94 -14.084 -2.606 -10.912 686 HE2 LYS 94 1HE LYS 94 -11.876 -3.029 -11.617 687 HE3 LYS 94 2HE LYS 94 -11.534 -4.034 -10.209 688 HZ1 LYS 94 3HZ LYS 94 -13.470 -5.455 -11.205 689 HZ2 LYS 94 1HZ LYS 94 -11.891 -5.618 -11.790 690 HZ3 LYS 94 2HZ LYS 94 -13.020 -4.695 -12.648 691 H THR 95 H THR 95 -12.543 -1.020 -6.575 692 HA THR 95 HA THR 95 -14.980 0.342 -5.771 693 HB THR 95 HB THR 95 -15.047 -1.265 -3.917 694 HG1 THR 95 1HG THR 95 -13.193 -2.073 -3.312 695 HG21 THR 95 3HG2 THR 95 -14.995 -1.978 -6.731 696 HG22 THR 95 1HG2 THR 95 -16.123 -2.466 -5.467 697 HG23 THR 95 2HG2 THR 95 -14.616 -3.353 -5.693 698 H GLY 96 H GLY 96 -11.636 -0.005 -4.664 699 HA2 GLY 96 1HA GLY 96 -10.412 1.632 -3.515 700 HA3 GLY 96 2HA GLY 96 -11.912 2.481 -3.170 701 H ILE 97 H ILE 97 -10.029 2.185 -1.208 702 HA ILE 97 HA ILE 97 -11.229 0.147 0.552 703 HB ILE 97 HB ILE 97 -8.410 1.229 0.562 704 HG12 ILE 97 1HG1 ILE 97 -9.313 -1.638 0.313 705 HG13 ILE 97 2HG1 ILE 97 -9.114 -0.597 -1.093 706 HG21 ILE 97 1HG2 ILE 97 -9.269 0.976 2.846 707 HG22 ILE 97 2HG2 ILE 97 -9.700 -0.697 2.492 708 HG23 ILE 97 3HG2 ILE 97 -8.007 -0.203 2.486 709 HD11 ILE 97 3HD1 ILE 97 -7.057 -1.701 0.753 710 HD12 ILE 97 1HD1 ILE 97 -7.093 -1.674 -1.010 711 HD13 ILE 97 2HD1 ILE 97 -6.739 -0.198 -0.111 712 H GLU 98 H GLU 98 -11.843 0.734 2.601 713 HA GLU 98 HA GLU 98 -11.821 3.624 3.153 714 HB2 GLU 98 1HB GLU 98 -14.064 2.828 2.937 715 HB3 GLU 98 2HB GLU 98 -13.741 1.449 3.977 716 HG2 GLU 98 1HG GLU 98 -13.788 2.718 5.902 717 HG3 GLU 98 2HG GLU 98 -13.439 4.218 5.045 718 H GLU 99 H GLU 99 -11.163 4.398 5.126 719 HA GLU 99 HA GLU 99 -9.681 2.489 6.789 720 HB2 GLU 99 1HB GLU 99 -9.408 5.411 6.231 721 HB3 GLU 99 2HB GLU 99 -8.809 4.781 7.758 722 HG2 GLU 99 1HG GLU 99 -8.007 3.400 5.255 723 HG3 GLU 99 2HG GLU 99 -7.269 4.955 5.635 724 H ALA 100 H ALA 100 -9.831 2.568 9.074 725 HA ALA 100 HA ALA 100 -12.392 2.672 10.123 726 HB1 ALA 100 1HB ALA 100 -9.823 2.048 11.072 727 HB2 ALA 100 2HB ALA 100 -10.495 3.230 12.195 728 HB3 ALA 100 3HB ALA 100 -11.372 1.738 11.857 729 H SER 101 H SER 101 -9.781 5.035 10.722 730 HA SER 101 HA SER 101 -11.124 6.898 12.182 731 HB2 SER 101 1HB SER 101 -8.918 7.090 10.182 732 HB3 SER 101 2HB SER 101 -9.653 8.590 10.747 733 HG SER 101 HG SER 101 -8.921 6.671 12.644 734 H GLY 102 H GLY 102 -10.633 7.481 8.704 735 HA2 GLY 102 1HA GLY 102 -13.270 7.685 7.899 736 HA3 GLY 102 2HA GLY 102 -12.853 9.259 8.559 737 H ALA 103 H ALA 103 -10.537 7.209 6.924 738 HA ALA 103 HA ALA 103 -10.430 9.190 4.746 739 HB1 ALA 103 1HB ALA 103 -8.067 8.038 4.480 740 HB2 ALA 103 2HB ALA 103 -8.339 9.335 5.646 741 HB3 ALA 103 3HB ALA 103 -8.330 7.654 6.181 742 H PHE 104 H PHE 104 -9.946 8.420 2.604 743 HA PHE 104 HA PHE 104 -10.669 5.601 2.161 744 HB2 PHE 104 1HB PHE 104 -11.862 8.067 1.019 745 HB3 PHE 104 2HB PHE 104 -11.628 6.719 -0.087 746 HD1 PHE 104 2HD PHE 104 -12.856 4.647 0.195 747 HD2 PHE 104 1HD PHE 104 -13.449 7.941 2.826 748 HE1 PHE 104 2HE PHE 104 -14.927 3.610 1.022 749 HE2 PHE 104 1HE PHE 104 -15.521 6.907 3.658 750 HZ PHE 104 HZ PHE 104 -16.265 4.740 2.754 751 H VAL 105 H VAL 105 -8.984 4.589 1.310 752 HA VAL 105 HA VAL 105 -6.951 6.041 -0.154 753 HB VAL 105 HB VAL 105 -7.160 3.118 0.582 754 HG11 VAL 105 1HG1 VAL 105 -5.012 4.656 -0.852 755 HG12 VAL 105 2HG1 VAL 105 -4.693 3.133 -0.020 756 HG13 VAL 105 3HG1 VAL 105 -5.833 3.183 -1.366 757 HG21 VAL 105 3HG2 VAL 105 -5.284 3.728 2.130 758 HG22 VAL 105 1HG2 VAL 105 -5.599 5.419 1.741 759 HG23 VAL 105 2HG2 VAL 105 -6.842 4.451 2.535 760 H TYR 106 H TYR 106 -6.676 6.072 -2.303 761 HA TYR 106 HA TYR 106 -8.393 4.317 -3.933 762 HB2 TYR 106 1HB TYR 106 -7.512 7.139 -4.575 763 HB3 TYR 106 2HB TYR 106 -8.518 6.115 -5.594 764 HD1 TYR 106 1HD TYR 106 -10.383 4.957 -3.638 765 HD2 TYR 106 2HD TYR 106 -8.877 8.923 -3.966 766 HE1 TYR 106 1HE TYR 106 -12.395 5.809 -2.509 767 HE2 TYR 106 2HE TYR 106 -10.885 9.785 -2.837 768 HH TYR 106 HH TYR 106 -12.668 8.567 -1.070 769 H LEU 107 H LEU 107 -7.437 3.132 -5.477 770 HA LEU 107 HA LEU 107 -4.556 3.549 -5.913 771 HB2 LEU 107 1HB LEU 107 -6.068 1.021 -6.491 772 HB3 LEU 107 2HB LEU 107 -4.327 1.239 -6.321 773 HG LEU 107 HG LEU 107 -5.049 1.924 -3.852 774 HD11 LEU 107 1HD1 LEU 107 -7.342 1.711 -3.858 775 HD12 LEU 107 2HD1 LEU 107 -6.839 0.133 -3.253 776 HD13 LEU 107 3HD1 LEU 107 -7.319 0.318 -4.940 777 HD21 LEU 107 3HD2 LEU 107 -3.961 -0.348 -5.127 778 HD22 LEU 107 1HD2 LEU 107 -5.094 -0.929 -3.906 779 HD23 LEU 107 2HD2 LEU 107 -3.779 0.152 -3.444 780 H ARG 108 H ARG 108 -4.539 4.918 -7.647 781 HA ARG 108 HA ARG 108 -6.135 4.257 -9.998 782 HB2 ARG 108 1HB ARG 108 -4.320 6.617 -9.467 783 HB3 ARG 108 2HB ARG 108 -5.357 6.419 -10.874 784 HG2 ARG 108 1HG ARG 108 -7.230 6.191 -9.033 785 HG3 ARG 108 2HG ARG 108 -6.064 7.104 -8.074 786 HD2 ARG 108 1HD ARG 108 -7.494 8.691 -9.107 787 HD3 ARG 108 2HD ARG 108 -5.957 8.753 -9.968 788 HE ARG 108 HE ARG 108 -7.525 6.964 -11.356 789 HH11 ARG 108 2HH1 ARG 108 -7.708 10.320 -10.450 790 HH12 ARG 108 1HH1 ARG 108 -8.637 10.779 -11.839 791 HH21 ARG 108 2HH2 ARG 108 -8.748 7.555 -13.187 792 HH22 ARG 108 1HH2 ARG 108 -9.229 9.205 -13.394 793 H GLN 109 H GLN 109 -2.738 4.716 -9.079 794 HA GLN 109 HA GLN 109 -1.961 2.910 -11.237 795 HB2 GLN 109 1HB GLN 109 -0.220 4.382 -12.051 796 HB3 GLN 109 2HB GLN 109 -1.773 5.199 -12.155 797 HG2 GLN 109 1HG GLN 109 -0.106 5.619 -9.730 798 HG3 GLN 109 2HG GLN 109 0.360 6.417 -11.232 799 HE21 GLN 109 1HE2 GLN 109 -0.475 7.701 -8.841 800 HE22 GLN 109 2HE2 GLN 109 -1.930 8.564 -9.192 801 HA PRO 110 HA PRO 110 0.675 1.297 -8.103 802 HB2 PRO 110 1HB PRO 110 2.436 -0.043 -9.676 803 HB3 PRO 110 2HB PRO 110 0.785 -0.605 -9.387 804 HG2 PRO 110 1HG PRO 110 1.896 0.887 -11.733 805 HG3 PRO 110 2HG PRO 110 0.773 -0.486 -11.710 806 HD2 PRO 110 1HD PRO 110 -0.055 2.068 -12.061 807 HD3 PRO 110 2HD PRO 110 -1.045 0.848 -11.235 808 H TYR 111 H TYR 111 3.332 0.830 -8.183 809 HA TYR 111 HA TYR 111 4.625 3.359 -8.912 810 HB2 TYR 111 1HB TYR 111 4.045 3.643 -6.585 811 HB3 TYR 111 2HB TYR 111 4.711 2.065 -6.180 812 HD1 TYR 111 1HD TYR 111 5.664 5.423 -7.468 813 HD2 TYR 111 2HD TYR 111 6.951 1.857 -5.536 814 HE1 TYR 111 1HE TYR 111 7.839 6.470 -6.998 815 HE2 TYR 111 2HE TYR 111 9.130 2.895 -5.060 816 HH TYR 111 HH TYR 111 9.843 5.656 -4.834 817 H TYR 112 H TYR 112 6.109 2.717 -10.336 818 HA TYR 112 HA TYR 112 7.513 0.189 -9.945 819 HB2 TYR 112 1HB TYR 112 7.869 2.075 -12.266 820 HB3 TYR 112 2HB TYR 112 8.191 0.346 -12.206 821 HD1 TYR 112 1HD TYR 112 6.016 -1.102 -11.585 822 HD2 TYR 112 2HD TYR 112 5.975 2.753 -13.386 823 HE1 TYR 112 1HE TYR 112 3.773 -1.554 -12.486 824 HE2 TYR 112 2HE TYR 112 3.731 2.312 -14.291 825 HH TYR 112 HH TYR 112 2.317 -0.804 -14.263 826 H SER 113 H SER 113 9.825 0.061 -10.071 827 HA SER 113 HA SER 113 11.111 2.375 -8.822 828 HB2 SER 113 1HB SER 113 11.209 -0.007 -7.849 829 HB3 SER 113 2HB SER 113 12.348 -0.353 -9.149 830 HG SER 113 HG SER 113 12.712 1.867 -7.450 831 H GLY 114 H GLY 114 13.087 3.215 -9.569 832 HA2 GLY 114 1HA GLY 114 14.933 3.121 -11.160 833 HA3 GLY 114 2HA GLY 114 13.810 2.437 -12.324 834 HA PRO 115 HA PRO 115 13.526 7.293 -11.952 835 HB2 PRO 115 1HB PRO 115 16.004 8.304 -12.412 836 HB3 PRO 115 2HB PRO 115 15.379 7.994 -10.788 837 HG2 PRO 115 1HG PRO 115 17.222 6.328 -12.458 838 HG3 PRO 115 2HG PRO 115 17.316 6.709 -10.729 839 HD2 PRO 115 1HD PRO 115 16.362 4.348 -11.651 840 HD3 PRO 115 2HD PRO 115 15.759 5.106 -10.163 841 H SER 116 H SER 116 13.160 8.483 -13.787 842 HA SER 116 HA SER 116 14.014 7.242 -16.307 843 HB2 SER 116 1HB SER 116 11.699 9.067 -15.642 844 HB3 SER 116 2HB SER 116 12.136 8.627 -17.292 845 HG SER 116 HG SER 116 10.776 7.052 -16.834 846 H SER 117 H SER 117 16.125 8.253 -16.124 847 HA SER 117 HA SER 117 16.217 11.149 -16.401 848 HB2 SER 117 1HB SER 117 17.883 10.232 -14.943 849 HB3 SER 117 2HB SER 117 18.374 9.046 -16.151 850 HG SER 117 HG SER 117 19.800 10.847 -16.043 851 H GLY 118 H GLY 118 15.398 11.578 -18.429 852 HA2 GLY 118 1HA GLY 118 17.113 10.703 -20.660 853 HA3 GLY 118 2HA GLY 118 15.364 10.603 -20.800 854 H1 MET 1 H MET 1 12.762 11.570 19.685 855 HA MET 1 HA MET 1 11.109 12.515 17.506 856 HB2 MET 1 1HB MET 1 14.100 12.574 17.935 857 HB3 MET 1 2HB MET 1 13.284 13.293 16.553 858 HG2 MET 1 1HG MET 1 12.932 14.071 19.439 859 HG3 MET 1 2HG MET 1 13.809 14.974 18.207 860 HE1 MET 1 3HE MET 1 10.925 16.527 19.817 861 HE2 MET 1 1HE MET 1 9.689 15.303 19.528 862 HE3 MET 1 2HE MET 1 11.218 14.850 20.281 863 H ASP 2 H ASP 2 13.710 10.132 17.942 864 HA ASP 2 HA ASP 2 13.726 9.182 15.296 865 HB2 ASP 2 1HB ASP 2 15.587 8.678 16.712 866 HB3 ASP 2 2HB ASP 2 14.549 7.886 17.895 867 H ASN 3 H ASN 3 11.820 8.608 14.398 868 HA ASN 3 HA ASN 3 9.769 7.211 15.783 869 HB2 ASN 3 1HB ASN 3 8.777 6.938 13.491 870 HB3 ASN 3 2HB ASN 3 9.157 8.602 13.924 871 HD21 ASN 3 1HD2 ASN 3 9.304 6.413 11.512 872 HD22 ASN 3 2HD2 ASN 3 10.611 7.069 10.591 873 H GLN 4 H GLN 4 10.803 5.376 16.668 874 HA GLN 4 HA GLN 4 12.078 3.441 14.974 875 HB2 GLN 4 1HB GLN 4 11.209 3.379 17.863 876 HB3 GLN 4 2HB GLN 4 11.993 2.019 17.069 877 HG2 GLN 4 1HG GLN 4 13.951 3.399 16.620 878 HG3 GLN 4 2HG GLN 4 13.165 4.772 17.399 879 HE21 GLN 4 1HE2 GLN 4 15.523 2.730 17.888 880 HE22 GLN 4 2HE2 GLN 4 15.412 2.465 19.592 881 H GLY 5 H GLY 5 10.490 2.953 13.412 882 HA2 GLY 5 1HA GLY 5 9.100 1.152 12.725 883 HA3 GLY 5 2HA GLY 5 8.506 1.018 14.374 884 H VAL 6 H VAL 6 7.539 1.758 11.391 885 HA VAL 6 HA VAL 6 5.927 4.091 12.030 886 HB VAL 6 HB VAL 6 5.123 3.916 9.703 887 HG11 VAL 6 1HG1 VAL 6 6.932 5.001 8.922 888 HG12 VAL 6 2HG1 VAL 6 7.531 4.806 10.571 889 HG13 VAL 6 3HG1 VAL 6 8.025 3.673 9.313 890 HG21 VAL 6 3HG2 VAL 6 5.778 2.241 8.224 891 HG22 VAL 6 1HG2 VAL 6 7.114 1.723 9.252 892 HG23 VAL 6 2HG2 VAL 6 5.453 1.356 9.715 893 H ILE 7 H ILE 7 3.721 4.119 12.244 894 HA ILE 7 HA ILE 7 2.479 1.750 13.208 895 HB ILE 7 HB ILE 7 1.061 4.292 12.423 896 HG12 ILE 7 1HG1 ILE 7 3.026 4.767 13.877 897 HG13 ILE 7 2HG1 ILE 7 1.489 5.139 14.650 898 HG21 ILE 7 1HG2 ILE 7 -0.490 2.582 12.921 899 HG22 ILE 7 2HG2 ILE 7 0.446 2.035 14.311 900 HG23 ILE 7 3HG2 ILE 7 -0.396 3.584 14.369 901 HD11 ILE 7 3HD1 ILE 7 2.308 2.436 15.217 902 HD12 ILE 7 1HD1 ILE 7 3.554 3.598 15.673 903 HD13 ILE 7 2HD1 ILE 7 1.922 3.755 16.323 904 H PTR 8 H PTR 8 0.483 0.819 12.379 905 HA PTR 8 HA PTR 8 0.347 0.918 9.436 906 HB2 PTR 8 2HB PTR 8 0.310 -1.387 11.335 907 HB3 PTR 8 3HB PTR 8 -0.623 -1.509 9.847 908 HD1 PTR 8 1HD PTR 8 2.804 -0.528 10.975 909 HD2 PTR 8 2HD PTR 8 0.419 -2.404 7.994 910 HE1 PTR 8 1HE PTR 8 4.842 -1.171 9.758 911 HE2 PTR 8 2HE PTR 8 2.450 -3.053 6.769 912 H SER 9 H SER 9 -1.398 2.110 8.979 913 HA SER 9 HA SER 9 -3.621 2.587 10.518 914 HB2 SER 9 1HB SER 9 -3.567 2.381 7.497 915 HB3 SER 9 2HB SER 9 -4.767 3.245 8.458 916 HG SER 9 HG SER 9 -3.227 4.703 7.739 917 H ASP 10 H ASP 10 -5.921 1.901 9.963 918 HA ASP 10 HA ASP 10 -6.046 -0.982 9.392 919 HB2 ASP 10 1HB ASP 10 -6.975 0.486 11.802 920 HB3 ASP 10 2HB ASP 10 -8.035 -0.777 11.182 921 H LEU 11 H LEU 11 -8.648 -1.491 9.455 922 HA LEU 11 HA LEU 11 -9.787 0.373 7.481 923 HB2 LEU 11 1HB LEU 11 -10.254 -2.583 7.834 924 HB3 LEU 11 2HB LEU 11 -11.094 -1.561 6.669 925 HG LEU 11 HG LEU 11 -8.145 -2.204 6.679 926 HD11 LEU 11 1HD1 LEU 11 -9.055 -3.107 4.335 927 HD12 LEU 11 2HD1 LEU 11 -10.505 -3.341 5.311 928 HD13 LEU 11 3HD1 LEU 11 -8.990 -4.104 5.789 929 HD21 LEU 11 3HD2 LEU 11 -9.783 -0.563 4.750 930 HD22 LEU 11 1HD2 LEU 11 -8.090 -1.013 4.545 931 HD23 LEU 11 2HD2 LEU 11 -8.565 0.056 5.866 932 H ASN 12 H ASN 12 -12.355 -0.264 7.389 933 HA ASN 12 HA ASN 12 -13.367 0.747 9.884 934 HB2 ASN 12 1HB ASN 12 -15.374 1.129 8.760 935 HB3 ASN 12 2HB ASN 12 -14.182 1.285 7.474 936 HD21 ASN 12 1HD2 ASN 12 -13.859 -0.541 6.068 937 HD22 ASN 12 2HD2 ASN 12 -15.167 -1.628 5.767 938 H LEU 13 H LEU 13 -13.857 -2.224 7.987 939 HA LEU 13 HA LEU 13 -15.640 -3.567 9.561 940 HB2 LEU 13 1HB LEU 13 -13.356 -5.188 8.641 941 HB3 LEU 13 2HB LEU 13 -15.085 -5.421 8.395 942 HG LEU 13 HG LEU 13 -14.729 -3.326 6.784 943 HD11 LEU 13 1HD1 LEU 13 -12.604 -3.555 5.583 944 HD12 LEU 13 2HD1 LEU 13 -12.068 -4.743 6.770 945 HD13 LEU 13 3HD1 LEU 13 -12.363 -3.076 7.264 946 HD21 LEU 13 3HD2 LEU 13 -14.945 -4.803 5.024 947 HD22 LEU 13 1HD2 LEU 13 -15.502 -5.778 6.385 948 HD23 LEU 13 2HD2 LEU 13 -13.870 -5.997 5.756 949 HA PRO 14 HA PRO 14 -12.014 -5.191 12.339 950 HB2 PRO 14 1HB PRO 14 -9.673 -3.822 12.195 951 HB3 PRO 14 2HB PRO 14 -10.036 -5.216 11.170 952 HG2 PRO 14 1HG PRO 14 -10.224 -2.297 10.533 953 HG3 PRO 14 2HG PRO 14 -9.587 -3.620 9.539 954 HD2 PRO 14 1HD PRO 14 -12.063 -2.587 9.175 955 HD3 PRO 14 2HD PRO 14 -11.686 -4.293 8.867 956 HA PRO 15 HA PRO 15 -13.024 -2.114 15.357 957 HB2 PRO 15 1HB PRO 15 -11.927 -3.340 17.517 958 HB3 PRO 15 2HB PRO 15 -13.440 -3.874 16.776 959 HG2 PRO 15 1HG PRO 15 -10.676 -4.972 16.437 960 HG3 PRO 15 2HG PRO 15 -12.208 -5.841 16.641 961 HD2 PRO 15 1HD PRO 15 -11.029 -5.512 14.227 962 HD3 PRO 15 2HD PRO 15 -12.792 -5.586 14.427 Start of MODEL 20 1 H1 GLY 1 H GLY 1 15.443 0.483 -26.383 2 HA2 GLY 1 1HA GLY 1 12.650 0.273 -26.890 3 HA3 GLY 1 2HA GLY 1 13.532 -0.982 -27.749 4 H SER 2 H SER 2 12.014 -0.184 -24.890 5 HA SER 2 HA SER 2 13.592 -1.598 -23.010 6 HB2 SER 2 1HB SER 2 10.628 -0.983 -22.941 7 HB3 SER 2 2HB SER 2 11.605 -1.493 -21.564 8 HG SER 2 HG SER 2 12.203 0.818 -23.083 9 H SER 3 H SER 3 12.713 -3.546 -21.813 10 HA SER 3 HA SER 3 11.251 -5.421 -23.497 11 HB2 SER 3 1HB SER 3 12.953 -7.151 -23.352 12 HB3 SER 3 2HB SER 3 13.652 -5.709 -24.089 13 HG SER 3 HG SER 3 14.945 -5.492 -22.435 14 H GLY 4 H GLY 4 9.981 -6.761 -22.345 15 HA2 GLY 4 1HA GLY 4 9.357 -8.083 -20.498 16 HA3 GLY 4 2HA GLY 4 10.586 -7.275 -19.534 17 H SER 5 H SER 5 8.737 -7.275 -17.977 18 HA SER 5 HA SER 5 7.586 -4.670 -17.881 19 HB2 SER 5 1HB SER 5 5.196 -5.457 -17.812 20 HB3 SER 5 2HB SER 5 5.949 -5.556 -19.403 21 HG SER 5 HG SER 5 5.095 -7.515 -19.212 22 H SER 6 H SER 6 7.195 -4.099 -15.818 23 HA SER 6 HA SER 6 7.231 -6.245 -13.797 24 HB2 SER 6 1HB SER 6 8.247 -4.548 -12.266 25 HB3 SER 6 2HB SER 6 9.264 -4.940 -13.652 26 HG SER 6 HG SER 6 9.266 -2.867 -13.972 27 H GLY 7 H GLY 7 5.704 -6.246 -12.219 28 HA2 GLY 7 1HA GLY 7 3.387 -4.572 -12.646 29 HA3 GLY 7 2HA GLY 7 3.533 -5.877 -11.477 30 H TRP 8 H TRP 8 2.967 -4.996 -9.586 31 HA TRP 8 HA TRP 8 4.299 -2.488 -8.796 32 HB2 TRP 8 1HB TRP 8 2.231 -2.564 -7.089 33 HB3 TRP 8 2HB TRP 8 2.126 -1.808 -8.677 34 HD1 TRP 8 HD TRP 8 -0.017 -2.457 -9.890 35 HE1 TRP 8 1HE TRP 8 -1.541 -4.530 -9.988 36 HE3 TRP 8 3HE TRP 8 2.543 -5.498 -6.676 37 HZ2 TRP 8 2HZ TRP 8 -1.643 -7.111 -8.851 38 HZ3 TRP 8 3HZ TRP 8 1.664 -7.754 -6.235 39 HH2 TRP 8 HH TRP 8 -0.386 -8.542 -7.300 40 H TYR 9 H TYR 9 4.992 -5.452 -8.484 41 HA TYR 9 HA TYR 9 4.989 -5.727 -5.582 42 HB2 TYR 9 1HB TYR 9 4.561 -7.613 -7.349 43 HB3 TYR 9 2HB TYR 9 6.318 -7.670 -7.439 44 HD1 TYR 9 1HD TYR 9 3.655 -7.581 -4.809 45 HD2 TYR 9 2HD TYR 9 7.372 -9.208 -6.089 46 HE1 TYR 9 1HE TYR 9 3.704 -9.019 -2.816 47 HE2 TYR 9 2HE TYR 9 7.431 -10.652 -4.099 48 HH TYR 9 HH TYR 9 5.437 -10.199 -1.439 49 H HIS 10 H HIS 10 6.635 -5.117 -4.352 50 HA HIS 10 HA HIS 10 9.191 -4.468 -5.645 51 HB2 HIS 10 1HB HIS 10 7.973 -3.567 -3.030 52 HB3 HIS 10 2HB HIS 10 9.629 -3.200 -3.503 53 HD1 HIS 10 1HD HIS 10 9.969 -1.184 -4.937 54 HD2 HIS 10 2HD HIS 10 5.994 -2.385 -4.813 55 HE1 HIS 10 1HE HIS 10 8.684 0.620 -6.130 56 HE2 HIS 10 2HE HIS 10 6.272 -0.088 -5.968 57 H GLY 11 H GLY 11 8.000 -5.855 -2.576 58 HA2 GLY 11 1HA GLY 11 8.743 -8.024 -1.833 59 HA3 GLY 11 2HA GLY 11 10.258 -7.744 -2.678 60 H HIS 12 H HIS 12 11.838 -7.653 -1.229 61 HA HIS 12 HA HIS 12 11.635 -7.148 1.470 62 HB2 HIS 12 1HB HIS 12 13.638 -8.099 0.404 63 HB3 HIS 12 2HB HIS 12 13.999 -6.534 -0.317 64 HD1 HIS 12 1HD HIS 12 16.281 -6.505 0.940 65 HD2 HIS 12 2HD HIS 12 12.945 -6.534 3.415 66 HE1 HIS 12 1HE HIS 12 17.134 -5.895 3.226 67 HE2 HIS 12 2HE HIS 12 15.111 -6.002 4.724 68 H MET 13 H MET 13 10.528 -5.414 2.201 69 HA MET 13 HA MET 13 11.779 -2.846 2.060 70 HB2 MET 13 1HB MET 13 10.595 -2.799 -0.079 71 HB3 MET 13 2HB MET 13 9.085 -3.197 0.731 72 HG2 MET 13 1HG MET 13 9.520 -1.041 2.085 73 HG3 MET 13 2HG MET 13 10.638 -0.648 0.781 74 HE1 MET 13 3HE MET 13 9.660 -1.242 -1.858 75 HE2 MET 13 1HE MET 13 8.468 -0.004 -2.256 76 HE3 MET 13 2HE MET 13 9.947 0.438 -1.403 77 H SER 14 H SER 14 11.201 -1.567 3.761 78 HA SER 14 HA SER 14 9.239 -2.716 5.620 79 HB2 SER 14 1HB SER 14 10.402 -1.441 7.369 80 HB3 SER 14 2HB SER 14 11.529 -2.476 6.492 81 HG SER 14 HG SER 14 12.370 -0.733 5.488 82 H GLY 15 H GLY 15 8.220 -0.966 7.094 83 HA2 GLY 15 1HA GLY 15 6.487 0.589 5.557 84 HA3 GLY 15 2HA GLY 15 6.757 0.792 7.282 85 H GLY 16 H GLY 16 9.066 1.834 7.693 86 HA2 GLY 16 1HA GLY 16 8.965 4.483 7.068 87 HA3 GLY 16 2HA GLY 16 10.470 3.643 7.413 88 H GLN 17 H GLN 17 10.645 1.984 5.188 89 HA GLN 17 HA GLN 17 11.775 3.731 3.291 90 HB2 GLN 17 1HB GLN 17 12.183 1.172 3.800 91 HB3 GLN 17 2HB GLN 17 10.989 0.952 2.527 92 HG2 GLN 17 1HG GLN 17 12.878 0.912 1.276 93 HG3 GLN 17 2HG GLN 17 12.555 2.645 1.249 94 HE21 GLN 17 1HE2 GLN 17 14.712 3.146 0.900 95 HE22 GLN 17 2HE2 GLN 17 15.906 2.999 2.140 96 H ALA 18 H ALA 18 9.032 1.496 2.819 97 HA ALA 18 HA ALA 18 8.103 2.221 0.410 98 HB1 ALA 18 1HB ALA 18 6.135 1.237 0.961 99 HB2 ALA 18 2HB ALA 18 7.080 0.718 2.358 100 HB3 ALA 18 3HB ALA 18 5.999 2.106 2.490 101 H GLU 19 H GLU 19 7.522 4.041 3.400 102 HA GLU 19 HA GLU 19 5.817 5.991 2.380 103 HB2 GLU 19 1HB GLU 19 7.667 5.811 4.697 104 HB3 GLU 19 2HB GLU 19 7.116 7.417 4.239 105 HG2 GLU 19 1HG GLU 19 4.766 6.503 4.344 106 HG3 GLU 19 2HG GLU 19 5.457 5.068 5.099 107 H THR 20 H THR 20 9.361 5.956 2.549 108 HA THR 20 HA THR 20 9.769 8.519 1.456 109 HB THR 20 HB THR 20 11.616 6.127 1.325 110 HG1 THR 20 1HG THR 20 11.008 8.002 3.321 111 HG21 THR 20 3HG2 THR 20 12.047 9.072 0.877 112 HG22 THR 20 1HG2 THR 20 12.423 7.736 -0.209 113 HG23 THR 20 2HG2 THR 20 13.367 7.968 1.262 114 H LEU 21 H LEU 21 10.013 5.314 -0.094 115 HA LEU 21 HA LEU 21 10.519 6.155 -2.680 116 HB2 LEU 21 1HB LEU 21 8.892 3.780 -1.787 117 HB3 LEU 21 2HB LEU 21 9.560 4.007 -3.402 118 HG LEU 21 HG LEU 21 11.829 4.159 -2.026 119 HD11 LEU 21 1HD1 LEU 21 11.361 3.829 0.158 120 HD12 LEU 21 2HD1 LEU 21 11.427 2.134 -0.319 121 HD13 LEU 21 3HD1 LEU 21 9.870 2.949 -0.179 122 HD21 LEU 21 3HD2 LEU 21 11.504 1.424 -2.188 123 HD22 LEU 21 1HD2 LEU 21 12.062 2.486 -3.480 124 HD23 LEU 21 2HD2 LEU 21 10.357 2.048 -3.375 125 H LEU 22 H LEU 22 7.450 5.896 -0.976 126 HA LEU 22 HA LEU 22 5.860 6.484 -3.290 127 HB2 LEU 22 1HB LEU 22 5.313 6.263 -0.354 128 HB3 LEU 22 2HB LEU 22 4.088 6.895 -1.453 129 HG LEU 22 HG LEU 22 5.354 4.191 -1.832 130 HD11 LEU 22 1HD1 LEU 22 4.381 4.046 0.319 131 HD12 LEU 22 2HD1 LEU 22 3.221 3.330 -0.800 132 HD13 LEU 22 3HD1 LEU 22 2.958 4.961 -0.183 133 HD21 LEU 22 3HD2 LEU 22 4.243 5.111 -3.778 134 HD22 LEU 22 1HD2 LEU 22 2.798 5.449 -2.825 135 HD23 LEU 22 2HD2 LEU 22 3.292 3.781 -3.115 136 H GLN 23 H GLN 23 6.235 8.292 -0.236 137 HA GLN 23 HA GLN 23 5.148 10.675 -0.968 138 HB2 GLN 23 1HB GLN 23 7.493 10.072 0.814 139 HB3 GLN 23 2HB GLN 23 6.914 11.718 0.594 140 HG2 GLN 23 1HG GLN 23 4.741 11.106 1.454 141 HG3 GLN 23 2HG GLN 23 5.242 9.422 1.589 142 HE21 GLN 23 1HE2 GLN 23 4.237 10.899 3.724 143 HE22 GLN 23 2HE2 GLN 23 5.489 11.103 4.896 144 H ALA 24 H ALA 24 8.503 9.660 -1.534 145 HA ALA 24 HA ALA 24 9.504 11.976 -2.665 146 HB1 ALA 24 1HB ALA 24 11.142 10.549 -3.795 147 HB2 ALA 24 2HB ALA 24 10.901 10.061 -2.117 148 HB3 ALA 24 3HB ALA 24 10.161 9.132 -3.421 149 H LYS 25 H LYS 25 7.647 9.381 -4.189 150 HA LYS 25 HA LYS 25 7.875 10.207 -6.847 151 HB2 LYS 25 1HB LYS 25 6.926 8.031 -6.075 152 HB3 LYS 25 2HB LYS 25 5.477 8.887 -5.564 153 HG2 LYS 25 1HG LYS 25 4.889 8.037 -7.632 154 HG3 LYS 25 2HG LYS 25 5.356 9.698 -8.003 155 HD2 LYS 25 1HD LYS 25 7.728 8.561 -8.340 156 HD3 LYS 25 2HD LYS 25 6.727 7.142 -8.656 157 HE2 LYS 25 1HE LYS 25 5.529 8.345 -10.391 158 HE3 LYS 25 2HE LYS 25 6.446 9.808 -10.040 159 HZ1 LYS 25 3HZ LYS 25 7.822 7.317 -10.815 160 HZ2 LYS 25 1HZ LYS 25 8.370 8.913 -10.933 161 HZ3 LYS 25 2HZ LYS 25 7.179 8.347 -11.992 162 H GLY 26 H GLY 26 5.606 11.184 -4.316 163 HA2 GLY 26 1HA GLY 26 4.314 13.080 -4.138 164 HA3 GLY 26 2HA GLY 26 5.162 13.718 -5.537 165 H GLU 27 H GLU 27 3.750 10.666 -6.045 166 HA GLU 27 HA GLU 27 1.652 11.919 -7.664 167 HB2 GLU 27 1HB GLU 27 3.163 9.355 -7.823 168 HB3 GLU 27 2HB GLU 27 1.527 9.387 -8.468 169 HG2 GLU 27 1HG GLU 27 3.498 11.481 -9.270 170 HG3 GLU 27 2HG GLU 27 3.532 9.889 -10.024 171 HA PRO 28 HA PRO 28 -1.266 10.636 -4.555 172 HB2 PRO 28 1HB PRO 28 -3.474 11.508 -5.870 173 HB3 PRO 28 2HB PRO 28 -2.376 12.595 -5.012 174 HG2 PRO 28 1HG PRO 28 -2.529 11.978 -7.937 175 HG3 PRO 28 2HG PRO 28 -2.309 13.543 -7.134 176 HD2 PRO 28 1HD PRO 28 -0.249 12.162 -8.219 177 HD3 PRO 28 2HD PRO 28 -0.058 13.192 -6.786 178 H TRP 29 H TRP 29 -2.617 8.908 -4.258 179 HA TRP 29 HA TRP 29 -3.698 6.946 -4.667 180 HB2 TRP 29 1HB TRP 29 -3.839 7.684 -7.584 181 HB3 TRP 29 2HB TRP 29 -4.951 6.687 -6.652 182 HD1 TRP 29 HD TRP 29 -5.217 9.722 -8.310 183 HE1 TRP 29 1HE TRP 29 -6.712 11.446 -7.120 184 HE3 TRP 29 3HE TRP 29 -5.282 7.649 -3.638 185 HZ2 TRP 29 2HZ TRP 29 -7.777 11.871 -4.541 186 HZ3 TRP 29 3HZ TRP 29 -6.562 8.777 -1.865 187 HH2 TRP 29 HH TRP 29 -7.782 10.845 -2.309 188 H THR 30 H THR 30 -0.837 7.115 -4.784 189 HA THR 30 HA THR 30 -0.105 5.196 -6.871 190 HB THR 30 HB THR 30 1.648 6.712 -4.926 191 HG1 THR 30 1HG THR 30 0.663 7.989 -6.599 192 HG21 THR 30 3HG2 THR 30 2.226 4.663 -7.025 193 HG22 THR 30 1HG2 THR 30 2.931 4.855 -5.420 194 HG23 THR 30 2HG2 THR 30 3.393 5.950 -6.724 195 H PHE 31 H PHE 31 -0.815 3.224 -6.185 196 HA PHE 31 HA PHE 31 -0.281 2.347 -3.468 197 HB2 PHE 31 1HB PHE 31 -1.632 0.442 -3.969 198 HB3 PHE 31 2HB PHE 31 -2.437 1.838 -4.680 199 HD1 PHE 31 1HD PHE 31 -2.174 2.253 -7.151 200 HD2 PHE 31 2HD PHE 31 -1.003 -1.388 -5.282 201 HE1 PHE 31 1HE PHE 31 -2.205 1.124 -9.337 202 HE2 PHE 31 2HE PHE 31 -1.031 -2.522 -7.464 203 HZ PHE 31 HZ PHE 31 -1.633 -1.267 -9.496 204 H LEU 32 H LEU 32 0.878 0.399 -2.988 205 HA LEU 32 HA LEU 32 2.563 -0.765 -5.027 206 HB2 LEU 32 1HB LEU 32 4.611 -0.034 -4.320 207 HB3 LEU 32 2HB LEU 32 3.634 1.406 -4.045 208 HG LEU 32 HG LEU 32 3.425 0.577 -1.630 209 HD11 LEU 32 1HD1 LEU 32 5.931 -0.706 -1.518 210 HD12 LEU 32 2HD1 LEU 32 4.982 -1.536 -2.751 211 HD13 LEU 32 3HD1 LEU 32 4.348 -1.369 -1.114 212 HD21 LEU 32 3HD2 LEU 32 6.258 1.211 -2.027 213 HD22 LEU 32 1HD2 LEU 32 5.016 2.069 -1.115 214 HD23 LEU 32 2HD2 LEU 32 5.143 2.296 -2.860 215 H VAL 33 H VAL 33 3.023 -2.840 -4.574 216 HA VAL 33 HA VAL 33 2.118 -3.886 -1.996 217 HB VAL 33 HB VAL 33 2.964 -5.478 -4.415 218 HG11 VAL 33 1HG1 VAL 33 1.985 -7.322 -3.390 219 HG12 VAL 33 2HG1 VAL 33 2.784 -6.495 -2.051 220 HG13 VAL 33 3HG1 VAL 33 1.042 -6.327 -2.280 221 HG21 VAL 33 3HG2 VAL 33 1.190 -4.390 -5.352 222 HG22 VAL 33 1HG2 VAL 33 0.325 -5.689 -4.529 223 HG23 VAL 33 2HG2 VAL 33 0.412 -4.086 -3.798 224 H ARG 34 H ARG 34 3.398 -5.168 -0.669 225 HA ARG 34 HA ARG 34 6.108 -5.815 -1.332 226 HB2 ARG 34 1HB ARG 34 7.214 -4.427 0.314 227 HB3 ARG 34 2HB ARG 34 6.319 -3.405 -0.803 228 HG2 ARG 34 1HG ARG 34 4.820 -2.744 0.782 229 HG3 ARG 34 2HG ARG 34 4.974 -4.237 1.709 230 HD2 ARG 34 1HD ARG 34 7.417 -3.356 2.105 231 HD3 ARG 34 2HD ARG 34 6.685 -1.797 1.730 232 HE ARG 34 HE ARG 34 6.259 -3.400 4.096 233 HH11 ARG 34 2HH1 ARG 34 5.089 -0.803 2.094 234 HH12 ARG 34 1HH1 ARG 34 4.155 -0.075 3.358 235 HH21 ARG 34 2HH2 ARG 34 5.033 -2.451 5.769 236 HH22 ARG 34 1HH2 ARG 34 4.124 -1.012 5.449 237 H GLU 35 H GLU 35 6.961 -7.354 0.024 238 HA GLU 35 HA GLU 35 5.086 -8.626 1.815 239 HB2 GLU 35 1HB GLU 35 6.825 -10.371 2.016 240 HB3 GLU 35 2HB GLU 35 6.406 -10.026 0.344 241 HG2 GLU 35 1HG GLU 35 8.651 -10.050 0.123 242 HG3 GLU 35 2HG GLU 35 8.460 -8.359 0.583 243 H SER 36 H SER 36 5.433 -9.058 4.017 244 HA SER 36 HA SER 36 6.598 -6.921 5.476 245 HB2 SER 36 1HB SER 36 5.544 -9.608 6.386 246 HB3 SER 36 2HB SER 36 6.029 -8.313 7.480 247 HG SER 36 HG SER 36 4.409 -7.014 6.574 248 H LEU 37 H LEU 37 8.006 -7.638 7.507 249 HA LEU 37 HA LEU 37 10.353 -9.023 6.397 250 HB2 LEU 37 1HB LEU 37 10.273 -7.048 8.669 251 HB3 LEU 37 2HB LEU 37 11.709 -7.723 7.903 252 HG LEU 37 HG LEU 37 10.746 -6.560 5.762 253 HD11 LEU 37 1HD1 LEU 37 9.812 -4.281 6.969 254 HD12 LEU 37 2HD1 LEU 37 9.031 -5.562 7.896 255 HD13 LEU 37 3HD1 LEU 37 8.826 -5.490 6.147 256 HD21 LEU 37 3HD2 LEU 37 11.942 -4.850 7.931 257 HD22 LEU 37 1HD2 LEU 37 12.139 -4.690 6.185 258 HD23 LEU 37 2HD2 LEU 37 12.862 -6.058 7.032 259 H SER 38 H SER 38 8.449 -8.589 9.357 260 HA SER 38 HA SER 38 9.830 -10.594 10.832 261 HB2 SER 38 1HB SER 38 8.571 -8.773 11.924 262 HB3 SER 38 2HB SER 38 7.067 -9.441 11.290 263 HG SER 38 HG SER 38 7.606 -11.384 12.475 264 H GLN 39 H GLN 39 6.461 -10.582 9.652 265 HA GLN 39 HA GLN 39 6.462 -13.496 9.686 266 HB2 GLN 39 1HB GLN 39 4.565 -12.000 10.579 267 HB3 GLN 39 2HB GLN 39 4.148 -11.748 8.890 268 HG2 GLN 39 1HG GLN 39 2.796 -13.503 9.881 269 HG3 GLN 39 2HG GLN 39 3.823 -14.138 8.595 270 HE21 GLN 39 1HE2 GLN 39 3.788 -16.226 9.354 271 HE22 GLN 39 2HE2 GLN 39 4.594 -16.712 10.804 272 HA PRO 40 HA PRO 40 7.514 -13.300 5.315 273 HB2 PRO 40 1HB PRO 40 8.010 -15.959 5.087 274 HB3 PRO 40 2HB PRO 40 9.176 -14.820 5.769 275 HG2 PRO 40 1HG PRO 40 7.287 -16.665 7.177 276 HG3 PRO 40 2HG PRO 40 8.986 -16.313 7.541 277 HD2 PRO 40 1HD PRO 40 6.939 -15.185 8.908 278 HD3 PRO 40 2HD PRO 40 8.476 -14.344 8.625 279 H GLY 41 H GLY 41 4.818 -14.376 6.869 280 HA2 GLY 41 1HA GLY 41 3.671 -15.539 4.407 281 HA3 GLY 41 2HA GLY 41 3.116 -15.922 6.029 282 H ASP 42 H ASP 42 3.792 -12.698 6.000 283 HA ASP 42 HA ASP 42 1.015 -12.012 5.288 284 HB2 ASP 42 1HB ASP 42 2.761 -11.052 7.542 285 HB3 ASP 42 2HB ASP 42 1.403 -10.086 6.970 286 H PHE 43 H PHE 43 0.637 -10.049 4.236 287 HA PHE 43 HA PHE 43 3.036 -8.736 3.140 288 HB2 PHE 43 1HB PHE 43 0.417 -9.227 1.706 289 HB3 PHE 43 2HB PHE 43 1.823 -8.402 1.038 290 HD1 PHE 43 1HD PHE 43 0.407 -11.630 2.011 291 HD2 PHE 43 2HD PHE 43 3.770 -9.632 0.332 292 HE1 PHE 43 1HE PHE 43 1.279 -13.785 1.202 293 HE2 PHE 43 2HE PHE 43 4.647 -11.784 -0.480 294 HZ PHE 43 HZ PHE 43 3.401 -13.863 -0.046 295 H VAL 44 H VAL 44 2.279 -6.558 2.037 296 HA VAL 44 HA VAL 44 0.213 -5.199 3.568 297 HB VAL 44 HB VAL 44 3.091 -4.283 3.636 298 HG11 VAL 44 1HG1 VAL 44 1.964 -2.283 3.543 299 HG12 VAL 44 2HG1 VAL 44 0.523 -2.935 4.326 300 HG13 VAL 44 3HG1 VAL 44 1.964 -2.583 5.280 301 HG21 VAL 44 3HG2 VAL 44 1.293 -5.060 5.926 302 HG22 VAL 44 1HG2 VAL 44 2.467 -6.146 5.182 303 HG23 VAL 44 2HG2 VAL 44 3.013 -4.678 5.993 304 H LEU 45 H LEU 45 -0.465 -3.227 2.644 305 HA LEU 45 HA LEU 45 0.628 -2.657 -0.029 306 HB2 LEU 45 1HB LEU 45 -1.425 -3.819 -0.372 307 HB3 LEU 45 2HB LEU 45 -2.252 -2.826 0.825 308 HG LEU 45 HG LEU 45 -1.738 -0.870 -0.793 309 HD11 LEU 45 1HD1 LEU 45 -1.228 -1.318 -2.982 310 HD12 LEU 45 2HD1 LEU 45 -1.814 -2.978 -2.897 311 HD13 LEU 45 3HD1 LEU 45 -0.268 -2.550 -2.164 312 HD21 LEU 45 3HD2 LEU 45 -3.713 -2.535 -2.138 313 HD22 LEU 45 1HD2 LEU 45 -3.907 -0.993 -1.303 314 HD23 LEU 45 2HD2 LEU 45 -3.914 -2.500 -0.385 315 H SER 46 H SER 46 1.385 -0.660 -0.156 316 HA SER 46 HA SER 46 0.327 1.375 1.683 317 HB2 SER 46 1HB SER 46 2.930 1.421 0.140 318 HB3 SER 46 2HB SER 46 2.427 2.554 1.394 319 HG SER 46 HG SER 46 2.929 -0.220 1.728 320 H VAL 47 H VAL 47 -0.398 3.337 0.943 321 HA VAL 47 HA VAL 47 -0.366 3.832 -1.944 322 HB VAL 47 HB VAL 47 -2.871 3.888 -0.257 323 HG11 VAL 47 1HG1 VAL 47 -2.261 4.892 -3.007 324 HG12 VAL 47 2HG1 VAL 47 -3.884 4.332 -2.601 325 HG13 VAL 47 3HG1 VAL 47 -3.162 5.671 -1.707 326 HG21 VAL 47 3HG2 VAL 47 -2.265 1.634 -0.889 327 HG22 VAL 47 1HG2 VAL 47 -3.658 2.158 -1.836 328 HG23 VAL 47 2HG2 VAL 47 -2.053 2.129 -2.568 329 H LEU 48 H LEU 48 -0.057 5.919 -2.462 330 HA LEU 48 HA LEU 48 0.261 7.821 -0.283 331 HB2 LEU 48 1HB LEU 48 1.938 7.467 -2.162 332 HB3 LEU 48 2HB LEU 48 0.791 8.309 -3.201 333 HG LEU 48 HG LEU 48 0.983 10.291 -1.713 334 HD11 LEU 48 1HD1 LEU 48 2.847 10.391 -0.133 335 HD12 LEU 48 2HD1 LEU 48 3.194 8.688 -0.436 336 HD13 LEU 48 3HD1 LEU 48 1.673 9.156 0.324 337 HD21 LEU 48 3HD2 LEU 48 3.588 10.532 -2.319 338 HD22 LEU 48 1HD2 LEU 48 2.295 10.685 -3.509 339 HD23 LEU 48 2HD2 LEU 48 3.168 9.161 -3.346 340 H SER 49 H SER 49 -1.761 8.475 0.324 341 HA SER 49 HA SER 49 -3.897 9.045 -1.401 342 HB2 SER 49 1HB SER 49 -4.816 10.338 0.553 343 HB3 SER 49 2HB SER 49 -4.326 8.689 0.939 344 HG SER 49 HG SER 49 -2.197 9.970 1.409 345 H ASP 50 H ASP 50 -4.837 11.108 -1.940 346 HA ASP 50 HA ASP 50 -2.859 12.968 -2.890 347 HB2 ASP 50 1HB ASP 50 -4.670 12.585 -4.369 348 HB3 ASP 50 2HB ASP 50 -5.862 12.838 -3.098 349 H GLN 51 H GLN 51 -4.101 12.556 0.070 350 HA GLN 51 HA GLN 51 -4.588 15.357 0.691 351 HB2 GLN 51 1HB GLN 51 -4.785 12.814 2.293 352 HB3 GLN 51 2HB GLN 51 -4.930 14.402 3.038 353 HG2 GLN 51 1HG GLN 51 -6.847 14.910 1.644 354 HG3 GLN 51 2HG GLN 51 -6.686 13.355 0.830 355 HE21 GLN 51 1HE2 GLN 51 -9.023 13.467 1.667 356 HE22 GLN 51 2HE2 GLN 51 -9.300 12.717 3.197 357 HA PRO 52 HA PRO 52 -0.245 15.823 1.655 358 HB2 PRO 52 1HB PRO 52 -0.401 18.471 2.230 359 HB3 PRO 52 2HB PRO 52 -0.370 17.848 0.577 360 HG2 PRO 52 1HG PRO 52 -2.708 18.730 2.226 361 HG3 PRO 52 2HG PRO 52 -2.357 19.055 0.518 362 HD2 PRO 52 1HD PRO 52 -4.109 17.147 1.307 363 HD3 PRO 52 2HD PRO 52 -3.127 16.992 -0.164 364 H LYS 53 H LYS 53 0.929 15.888 3.529 365 HA LYS 53 HA LYS 53 -0.297 15.304 5.956 366 HB2 LYS 53 1HB LYS 53 2.459 16.187 5.184 367 HB3 LYS 53 2HB LYS 53 2.033 16.081 6.887 368 HG2 LYS 53 1HG LYS 53 1.268 13.699 6.360 369 HG3 LYS 53 2HG LYS 53 2.162 13.888 4.850 370 HD2 LYS 53 1HD LYS 53 3.792 12.976 6.179 371 HD3 LYS 53 2HD LYS 53 4.075 14.694 6.469 372 HE2 LYS 53 1HE LYS 53 2.845 14.603 8.533 373 HE3 LYS 53 2HE LYS 53 2.351 12.940 8.214 374 HZ1 LYS 53 3HZ LYS 53 5.193 13.728 8.484 375 HZ2 LYS 53 1HZ LYS 53 4.532 12.171 8.536 376 HZ3 LYS 53 2HZ LYS 53 4.255 13.252 9.808 377 H ALA 54 H ALA 54 1.055 18.383 4.809 378 HA ALA 54 HA ALA 54 -0.409 19.732 6.984 379 HB1 ALA 54 1HB ALA 54 2.328 20.092 5.954 380 HB2 ALA 54 2HB ALA 54 1.432 21.573 6.296 381 HB3 ALA 54 3HB ALA 54 1.672 20.374 7.567 382 H GLY 55 H GLY 55 0.986 20.465 3.774 383 HA2 GLY 55 1HA GLY 55 -1.529 21.282 2.702 384 HA3 GLY 55 2HA GLY 55 -0.552 22.670 3.155 385 HA PRO 56 HA PRO 56 0.610 21.862 -1.175 386 HB2 PRO 56 1HB PRO 56 1.235 24.451 -1.704 387 HB3 PRO 56 2HB PRO 56 -0.419 23.830 -1.768 388 HG2 PRO 56 1HG PRO 56 0.949 25.355 0.414 389 HG3 PRO 56 2HG PRO 56 -0.692 25.551 -0.230 390 HD2 PRO 56 1HD PRO 56 -0.182 24.228 2.077 391 HD3 PRO 56 2HD PRO 56 -1.521 23.788 0.999 392 H GLY 57 H GLY 57 2.449 20.673 -0.307 393 HA2 GLY 57 1HA GLY 57 4.887 21.273 -1.126 394 HA3 GLY 57 2HA GLY 57 4.824 22.253 0.332 395 H SER 58 H SER 58 3.083 20.164 1.621 396 HA SER 58 HA SER 58 5.239 18.640 2.758 397 HB2 SER 58 1HB SER 58 3.504 17.722 4.251 398 HB3 SER 58 2HB SER 58 3.424 19.483 4.178 399 HG SER 58 HG SER 58 1.806 18.983 2.397 400 HA PRO 59 HA PRO 59 4.941 14.953 0.396 401 HB2 PRO 59 1HB PRO 59 5.572 13.087 2.264 402 HB3 PRO 59 2HB PRO 59 6.763 14.197 1.575 403 HG2 PRO 59 1HG PRO 59 5.306 14.364 4.185 404 HG3 PRO 59 2HG PRO 59 7.015 14.684 3.834 405 HD2 PRO 59 1HD PRO 59 5.188 16.664 4.111 406 HD3 PRO 59 2HD PRO 59 6.581 16.796 3.019 407 H LEU 60 H LEU 60 3.010 14.264 -0.295 408 HA LEU 60 HA LEU 60 0.634 14.050 0.926 409 HB2 LEU 60 1HB LEU 60 1.868 12.243 -1.126 410 HB3 LEU 60 2HB LEU 60 0.210 12.009 -0.575 411 HG LEU 60 HG LEU 60 1.273 14.496 -1.916 412 HD11 LEU 60 1HD1 LEU 60 1.205 12.873 -3.590 413 HD12 LEU 60 2HD1 LEU 60 -0.350 13.693 -3.725 414 HD13 LEU 60 3HD1 LEU 60 -0.248 12.120 -2.932 415 HD21 LEU 60 3HD2 LEU 60 -0.525 15.030 -0.404 416 HD22 LEU 60 1HD2 LEU 60 -1.502 13.706 -1.040 417 HD23 LEU 60 2HD2 LEU 60 -1.125 15.094 -2.062 418 H ARG 61 H ARG 61 -0.533 12.576 2.147 419 HA ARG 61 HA ARG 61 0.922 11.116 4.082 420 HB2 ARG 61 1HB ARG 61 -1.518 12.155 4.095 421 HB3 ARG 61 2HB ARG 61 -1.961 10.529 3.591 422 HG2 ARG 61 1HG ARG 61 -2.175 10.463 5.897 423 HG3 ARG 61 2HG ARG 61 -0.586 9.748 5.614 424 HD2 ARG 61 1HD ARG 61 0.523 11.743 6.257 425 HD3 ARG 61 2HD ARG 61 -0.978 12.667 6.226 426 HE ARG 61 HE ARG 61 0.027 11.115 8.391 427 HH11 ARG 61 2HH1 ARG 61 -2.906 12.151 6.829 428 HH12 ARG 61 1HH1 ARG 61 -3.869 12.024 8.263 429 HH21 ARG 61 2HH2 ARG 61 -1.230 10.943 10.286 430 HH22 ARG 61 1HH2 ARG 61 -2.915 11.338 10.229 431 H VAL 62 H VAL 62 1.009 8.871 4.459 432 HA VAL 62 HA VAL 62 0.540 7.215 2.064 433 HB VAL 62 HB VAL 62 2.774 7.003 4.084 434 HG11 VAL 62 1HG1 VAL 62 2.739 4.813 3.659 435 HG12 VAL 62 2HG1 VAL 62 1.588 5.006 2.335 436 HG13 VAL 62 3HG1 VAL 62 3.314 5.228 2.044 437 HG21 VAL 62 3HG2 VAL 62 2.891 7.457 1.106 438 HG22 VAL 62 1HG2 VAL 62 2.998 8.737 2.314 439 HG23 VAL 62 2HG2 VAL 62 4.238 7.485 2.244 440 H THR 63 H THR 63 -1.122 5.904 2.409 441 HA THR 63 HA THR 63 -1.842 5.070 5.089 442 HB THR 63 HB THR 63 -3.141 4.390 2.443 443 HG1 THR 63 1HG THR 63 -3.379 6.531 4.226 444 HG21 THR 63 3HG2 THR 63 -4.327 4.169 5.204 445 HG22 THR 63 1HG2 THR 63 -3.552 2.815 4.382 446 HG23 THR 63 2HG2 THR 63 -4.989 3.564 3.684 447 H HIS 64 H HIS 64 -1.166 3.256 6.011 448 HA HIS 64 HA HIS 64 0.047 1.183 4.326 449 HB2 HIS 64 1HB HIS 64 0.261 1.660 7.306 450 HB3 HIS 64 2HB HIS 64 1.075 0.369 6.427 451 HD1 HIS 64 1HD HIS 64 2.906 1.177 4.645 452 HD2 HIS 64 2HD HIS 64 1.586 4.050 7.341 453 HE1 HIS 64 1HE HIS 64 4.609 3.024 4.545 454 HE2 HIS 64 2HE HIS 64 3.835 4.713 6.247 455 H ILE 65 H ILE 65 -1.406 -0.296 3.722 456 HA ILE 65 HA ILE 65 -3.312 -1.284 5.740 457 HB ILE 65 HB ILE 65 -3.549 -1.439 2.733 458 HG12 ILE 65 1HG1 ILE 65 -5.336 0.175 4.522 459 HG13 ILE 65 2HG1 ILE 65 -3.800 0.844 3.983 460 HG21 ILE 65 1HG2 ILE 65 -5.576 -2.512 2.999 461 HG22 ILE 65 2HG2 ILE 65 -4.610 -3.233 4.285 462 HG23 ILE 65 3HG2 ILE 65 -5.770 -1.959 4.662 463 HD11 ILE 65 3HD1 ILE 65 -5.778 1.478 2.605 464 HD12 ILE 65 1HD1 ILE 65 -4.461 0.723 1.707 465 HD13 ILE 65 2HD1 ILE 65 -5.901 -0.211 2.113 466 H LYS 66 H LYS 66 -2.332 -2.999 6.661 467 HA LYS 66 HA LYS 66 -0.590 -4.784 5.346 468 HB2 LYS 66 1HB LYS 66 -0.951 -6.238 7.345 469 HB3 LYS 66 2HB LYS 66 -0.499 -4.584 7.739 470 HG2 LYS 66 1HG LYS 66 -2.985 -4.137 8.022 471 HG3 LYS 66 2HG LYS 66 -3.190 -5.890 7.985 472 HD2 LYS 66 1HD LYS 66 -2.948 -5.622 10.231 473 HD3 LYS 66 2HD LYS 66 -1.242 -5.752 9.798 474 HE2 LYS 66 1HE LYS 66 -1.726 -3.868 11.332 475 HE3 LYS 66 2HE LYS 66 -1.006 -3.358 9.807 476 HZ1 LYS 66 3HZ LYS 66 -3.064 -2.121 10.769 477 HZ2 LYS 66 1HZ LYS 66 -3.930 -3.391 10.061 478 HZ3 LYS 66 2HZ LYS 66 -2.947 -2.402 9.105 479 H VAL 67 H VAL 67 -0.935 -6.577 4.178 480 HA VAL 67 HA VAL 67 -3.720 -7.356 3.683 481 HB VAL 67 HB VAL 67 -1.274 -8.146 2.099 482 HG11 VAL 67 1HG1 VAL 67 -3.475 -8.206 0.449 483 HG12 VAL 67 2HG1 VAL 67 -2.719 -9.604 1.217 484 HG13 VAL 67 3HG1 VAL 67 -4.105 -8.820 1.977 485 HG21 VAL 67 3HG2 VAL 67 -2.182 -6.442 0.449 486 HG22 VAL 67 1HG2 VAL 67 -3.154 -5.821 1.783 487 HG23 VAL 67 2HG2 VAL 67 -1.394 -5.800 1.890 488 H MET 68 H MET 68 -4.424 -8.993 4.881 489 HA MET 68 HA MET 68 -2.616 -10.926 6.022 490 HB2 MET 68 1HB MET 68 -5.545 -10.367 6.217 491 HB3 MET 68 2HB MET 68 -4.951 -11.947 6.712 492 HG2 MET 68 1HG MET 68 -3.455 -10.901 8.315 493 HG3 MET 68 2HG MET 68 -3.997 -9.307 7.799 494 HE1 MET 68 3HE MET 68 -6.397 -8.879 7.471 495 HE2 MET 68 1HE MET 68 -7.731 -9.789 8.182 496 HE3 MET 68 2HE MET 68 -6.999 -8.456 9.075 497 H CYS 69 H CYS 69 -2.854 -13.238 5.752 498 HA CYS 69 HA CYS 69 -3.943 -14.002 3.125 499 HB2 CYS 69 1HB CYS 69 -1.526 -13.893 2.934 500 HB3 CYS 69 2HB CYS 69 -1.335 -14.890 4.372 501 HG CYS 69 HG CYS 69 -0.748 -16.263 1.899 502 H GLU 70 H GLU 70 -5.072 -15.882 3.024 503 HA GLU 70 HA GLU 70 -5.190 -17.526 5.464 504 HB2 GLU 70 1HB GLU 70 -7.493 -16.529 3.787 505 HB3 GLU 70 2HB GLU 70 -7.645 -17.843 4.944 506 HG2 GLU 70 1HG GLU 70 -6.842 -15.010 5.568 507 HG3 GLU 70 2HG GLU 70 -8.407 -15.753 5.900 508 H GLY 71 H GLY 71 -3.616 -18.804 4.198 509 HA2 GLY 71 1HA GLY 71 -3.196 -20.792 3.113 510 HA3 GLY 71 2HA GLY 71 -4.932 -20.984 2.905 511 H GLY 72 H GLY 72 -2.426 -18.736 1.707 512 HA2 GLY 72 1HA GLY 72 -1.730 -18.535 -0.537 513 HA3 GLY 72 2HA GLY 72 -3.120 -19.492 -1.030 514 H ARG 73 H ARG 73 -5.186 -18.104 0.167 515 HA ARG 73 HA ARG 73 -5.508 -15.943 -1.660 516 HB2 ARG 73 1HB ARG 73 -7.195 -16.846 0.679 517 HB3 ARG 73 2HB ARG 73 -7.672 -15.594 -0.459 518 HG2 ARG 73 1HG ARG 73 -7.987 -17.090 -2.184 519 HG3 ARG 73 2HG ARG 73 -6.920 -18.299 -1.466 520 HD2 ARG 73 1HD ARG 73 -8.556 -18.779 0.247 521 HD3 ARG 73 2HD ARG 73 -9.601 -17.490 -0.349 522 HE ARG 73 HE ARG 73 -9.324 -19.087 -2.507 523 HH11 ARG 73 2HH1 ARG 73 -10.210 -19.698 0.804 524 HH12 ARG 73 1HH1 ARG 73 -11.232 -21.044 0.419 525 HH21 ARG 73 2HH2 ARG 73 -10.667 -20.857 -3.026 526 HH22 ARG 73 1HH2 ARG 73 -11.490 -21.702 -1.761 527 H TYR 74 H TYR 74 -6.485 -13.807 -0.724 528 HA TYR 74 HA TYR 74 -4.951 -12.906 1.607 529 HB2 TYR 74 1HB TYR 74 -5.045 -11.428 -1.031 530 HB3 TYR 74 2HB TYR 74 -4.256 -10.869 0.439 531 HD1 TYR 74 1HD TYR 74 -2.713 -13.022 1.423 532 HD2 TYR 74 2HD TYR 74 -3.501 -12.013 -2.635 533 HE1 TYR 74 1HE TYR 74 -0.639 -14.156 0.745 534 HE2 TYR 74 2HE TYR 74 -1.430 -13.146 -3.324 535 HH TYR 74 HH TYR 74 0.715 -13.811 -2.357 536 H THR 75 H THR 75 -5.941 -11.365 2.841 537 HA THR 75 HA THR 75 -8.405 -10.131 1.869 538 HB THR 75 HB THR 75 -8.976 -12.302 3.057 539 HG1 THR 75 1HG THR 75 -10.129 -10.268 4.566 540 HG21 THR 75 3HG2 THR 75 -8.629 -12.584 5.314 541 HG22 THR 75 1HG2 THR 75 -8.512 -10.852 5.623 542 HG23 THR 75 2HG2 THR 75 -7.165 -11.707 4.871 543 H VAL 76 H VAL 76 -9.189 -8.412 3.313 544 HA VAL 76 HA VAL 76 -7.040 -7.281 4.983 545 HB VAL 76 HB VAL 76 -8.026 -5.010 4.241 546 HG11 VAL 76 1HG1 VAL 76 -6.587 -6.376 2.012 547 HG12 VAL 76 2HG1 VAL 76 -6.319 -4.780 2.715 548 HG13 VAL 76 3HG1 VAL 76 -5.802 -6.226 3.584 549 HG21 VAL 76 3HG2 VAL 76 -9.798 -6.590 2.890 550 HG22 VAL 76 1HG2 VAL 76 -9.467 -4.896 2.528 551 HG23 VAL 76 2HG2 VAL 76 -8.645 -6.169 1.625 552 H GLY 77 H GLY 77 -8.063 -8.098 6.857 553 HA2 GLY 77 1HA GLY 77 -9.315 -7.694 8.759 554 HA3 GLY 77 2HA GLY 77 -10.055 -6.331 7.934 555 H GLY 78 H GLY 78 -11.402 -7.277 5.890 556 HA2 GLY 78 1HA GLY 78 -13.654 -8.521 7.051 557 HA3 GLY 78 2HA GLY 78 -13.399 -8.262 5.331 558 H LEU 79 H LEU 79 -14.692 -10.513 6.203 559 HA LEU 79 HA LEU 79 -12.881 -12.720 6.476 560 HB2 LEU 79 1HB LEU 79 -15.839 -12.558 5.944 561 HB3 LEU 79 2HB LEU 79 -14.967 -14.081 6.107 562 HG LEU 79 HG LEU 79 -14.970 -12.017 8.290 563 HD11 LEU 79 1HD1 LEU 79 -16.726 -13.786 9.218 564 HD12 LEU 79 2HD1 LEU 79 -17.101 -13.916 7.500 565 HD13 LEU 79 3HD1 LEU 79 -17.213 -12.354 8.309 566 HD21 LEU 79 3HD2 LEU 79 -13.309 -13.584 8.710 567 HD22 LEU 79 1HD2 LEU 79 -14.253 -14.913 8.038 568 HD23 LEU 79 2HD2 LEU 79 -14.689 -14.225 9.602 569 H GLU 80 H GLU 80 -14.287 -10.992 3.847 570 HA GLU 80 HA GLU 80 -14.402 -12.841 1.815 571 HB2 GLU 80 1HB GLU 80 -13.813 -9.926 1.928 572 HB3 GLU 80 2HB GLU 80 -13.479 -10.764 0.419 573 HG2 GLU 80 1HG GLU 80 -16.123 -11.190 1.695 574 HG3 GLU 80 2HG GLU 80 -15.814 -9.642 0.910 575 H THR 81 H THR 81 -12.771 -12.706 -0.148 576 HA THR 81 HA THR 81 -9.990 -12.679 0.645 577 HB THR 81 HB THR 81 -9.477 -14.957 0.158 578 HG1 THR 81 1HG THR 81 -10.720 -15.980 -1.204 579 HG21 THR 81 3HG2 THR 81 -10.657 -16.142 1.901 580 HG22 THR 81 1HG2 THR 81 -11.975 -14.971 1.856 581 HG23 THR 81 2HG2 THR 81 -10.379 -14.481 2.425 582 H PHE 82 H PHE 82 -8.577 -13.374 -1.259 583 HA PHE 82 HA PHE 82 -9.834 -12.980 -3.857 584 HB2 PHE 82 1HB PHE 82 -7.594 -11.206 -2.864 585 HB3 PHE 82 2HB PHE 82 -8.272 -11.192 -4.489 586 HD1 PHE 82 2HD PHE 82 -9.050 -10.544 -0.933 587 HD2 PHE 82 1HD PHE 82 -10.199 -9.952 -4.988 588 HE1 PHE 82 2HE PHE 82 -10.725 -8.892 -0.213 589 HE2 PHE 82 1HE PHE 82 -11.876 -8.298 -4.275 590 HZ PHE 82 HZ PHE 82 -12.141 -7.767 -1.885 591 H ASP 83 H ASP 83 -8.743 -13.929 -5.533 592 HA ASP 83 HA ASP 83 -7.220 -16.127 -5.210 593 HB2 ASP 83 1HB ASP 83 -8.047 -15.603 -7.387 594 HB3 ASP 83 2HB ASP 83 -7.112 -14.112 -7.454 595 H SER 84 H SER 84 -5.855 -12.892 -5.826 596 HA SER 84 HA SER 84 -3.640 -13.397 -4.076 597 HB2 SER 84 1HB SER 84 -1.919 -13.014 -5.907 598 HB3 SER 84 2HB SER 84 -2.716 -14.588 -5.926 599 HG SER 84 HG SER 84 -2.772 -12.574 -7.775 600 H LEU 85 H LEU 85 -1.910 -11.507 -4.580 601 HA LEU 85 HA LEU 85 -3.008 -9.143 -3.760 602 HB2 LEU 85 1HB LEU 85 -0.506 -9.820 -5.230 603 HB3 LEU 85 2HB LEU 85 -0.933 -8.124 -5.016 604 HG LEU 85 HG LEU 85 0.617 -8.773 -3.300 605 HD11 LEU 85 1HD1 LEU 85 -0.520 -7.962 -1.437 606 HD12 LEU 85 2HD1 LEU 85 -2.043 -8.706 -1.921 607 HD13 LEU 85 3HD1 LEU 85 -1.427 -7.305 -2.799 608 HD21 LEU 85 3HD2 LEU 85 -1.223 -10.716 -2.043 609 HD22 LEU 85 1HD2 LEU 85 0.540 -10.680 -2.082 610 HD23 LEU 85 2HD2 LEU 85 -0.362 -11.256 -3.484 611 H THR 86 H THR 86 -2.807 -10.392 -7.012 612 HA THR 86 HA THR 86 -3.383 -7.983 -8.386 613 HB THR 86 HB THR 86 -3.951 -10.821 -9.267 614 HG1 THR 86 1HG THR 86 -1.719 -9.227 -9.993 615 HG21 THR 86 3HG2 THR 86 -3.361 -9.319 -11.493 616 HG22 THR 86 1HG2 THR 86 -4.330 -8.211 -10.524 617 HG23 THR 86 2HG2 THR 86 -4.978 -9.789 -10.973 618 H ASP 87 H ASP 87 -5.498 -10.790 -7.755 619 HA ASP 87 HA ASP 87 -7.878 -9.599 -8.580 620 HB2 ASP 87 1HB ASP 87 -7.440 -12.056 -8.045 621 HB3 ASP 87 2HB ASP 87 -7.701 -11.629 -6.356 622 H LEU 88 H LEU 88 -6.249 -9.526 -5.462 623 HA LEU 88 HA LEU 88 -8.368 -8.304 -4.024 624 HB2 LEU 88 1HB LEU 88 -6.520 -9.520 -2.955 625 HB3 LEU 88 2HB LEU 88 -5.403 -8.260 -3.474 626 HG LEU 88 HG LEU 88 -7.719 -7.484 -1.770 627 HD11 LEU 88 1HD1 LEU 88 -7.090 -8.595 0.045 628 HD12 LEU 88 2HD1 LEU 88 -5.403 -8.136 -0.181 629 HD13 LEU 88 3HD1 LEU 88 -6.044 -9.565 -0.991 630 HD21 LEU 88 3HD2 LEU 88 -6.262 -5.771 -1.041 631 HD22 LEU 88 1HD2 LEU 88 -6.045 -5.887 -2.788 632 HD23 LEU 88 2HD2 LEU 88 -4.846 -6.590 -1.702 633 H VAL 89 H VAL 89 -5.255 -6.908 -5.078 634 HA VAL 89 HA VAL 89 -5.847 -4.253 -4.558 635 HB VAL 89 HB VAL 89 -4.108 -5.349 -6.773 636 HG11 VAL 89 1HG1 VAL 89 -3.156 -3.239 -7.030 637 HG12 VAL 89 2HG1 VAL 89 -4.882 -2.896 -6.887 638 HG13 VAL 89 3HG1 VAL 89 -3.816 -2.650 -5.504 639 HG21 VAL 89 3HG2 VAL 89 -2.787 -4.226 -4.444 640 HG22 VAL 89 1HG2 VAL 89 -3.811 -5.602 -4.036 641 HG23 VAL 89 2HG2 VAL 89 -2.538 -5.778 -5.245 642 H GLU 90 H GLU 90 -6.055 -5.875 -7.733 643 HA GLU 90 HA GLU 90 -7.106 -3.881 -9.253 644 HB2 GLU 90 1HB GLU 90 -7.685 -6.834 -9.258 645 HB3 GLU 90 2HB GLU 90 -8.405 -5.757 -10.446 646 HG2 GLU 90 1HG GLU 90 -5.920 -5.011 -10.814 647 HG3 GLU 90 2HG GLU 90 -5.571 -6.591 -10.115 648 H HIS 91 H HIS 91 -9.086 -6.244 -7.455 649 HA HIS 91 HA HIS 91 -11.567 -5.104 -7.946 650 HB2 HIS 91 1HB HIS 91 -11.463 -7.280 -6.965 651 HB3 HIS 91 2HB HIS 91 -10.560 -6.682 -5.577 652 HD1 HIS 91 1HD HIS 91 -13.950 -7.347 -6.750 653 HD2 HIS 91 2HD HIS 91 -12.168 -5.014 -3.809 654 HE1 HIS 91 1HE HIS 91 -15.802 -6.737 -5.161 655 HE2 HIS 91 2HE HIS 91 -14.716 -5.255 -3.438 656 H PHE 92 H PHE 92 -9.031 -4.047 -5.860 657 HA PHE 92 HA PHE 92 -10.788 -2.228 -4.404 658 HB2 PHE 92 1HB PHE 92 -8.022 -3.243 -4.044 659 HB3 PHE 92 2HB PHE 92 -8.344 -1.611 -3.466 660 HD1 PHE 92 2HD PHE 92 -10.855 -1.585 -2.259 661 HD2 PHE 92 1HD PHE 92 -8.060 -4.794 -2.369 662 HE1 PHE 92 2HE PHE 92 -11.838 -2.507 -0.201 663 HE2 PHE 92 1HE PHE 92 -9.040 -5.722 -0.311 664 HZ PHE 92 HZ PHE 92 -10.930 -4.577 0.776 665 H LYS 93 H LYS 93 -8.815 -2.265 -7.161 666 HA LYS 93 HA LYS 93 -8.019 0.484 -7.139 667 HB2 LYS 93 1HB LYS 93 -8.135 -1.544 -9.378 668 HB3 LYS 93 2HB LYS 93 -7.432 0.061 -9.528 669 HG2 LYS 93 1HG LYS 93 -6.029 -0.750 -7.441 670 HG3 LYS 93 2HG LYS 93 -6.410 -2.337 -8.114 671 HD2 LYS 93 1HD LYS 93 -5.278 -0.123 -9.801 672 HD3 LYS 93 2HD LYS 93 -4.243 -1.218 -8.882 673 HE2 LYS 93 1HE LYS 93 -5.038 -3.108 -10.087 674 HE3 LYS 93 2HE LYS 93 -6.334 -2.171 -10.829 675 HZ1 LYS 93 3HZ LYS 93 -4.291 -0.788 -11.703 676 HZ2 LYS 93 1HZ LYS 93 -4.835 -2.168 -12.515 677 HZ3 LYS 93 2HZ LYS 93 -3.489 -2.263 -11.496 678 H LYS 94 H LYS 94 -10.891 -1.194 -7.947 679 HA LYS 94 HA LYS 94 -11.913 1.114 -9.454 680 HB2 LYS 94 1HB LYS 94 -13.766 -0.437 -10.109 681 HB3 LYS 94 2HB LYS 94 -12.176 -0.931 -10.675 682 HG2 LYS 94 1HG LYS 94 -12.045 -2.491 -8.739 683 HG3 LYS 94 2HG LYS 94 -13.717 -2.073 -8.356 684 HD2 LYS 94 1HD LYS 94 -14.065 -2.704 -10.908 685 HD3 LYS 94 2HD LYS 94 -12.619 -3.671 -10.611 686 HE2 LYS 94 1HE LYS 94 -13.686 -4.909 -8.900 687 HE3 LYS 94 2HE LYS 94 -15.038 -3.778 -8.825 688 HZ1 LYS 94 3HZ LYS 94 -15.544 -5.881 -10.000 689 HZ2 LYS 94 1HZ LYS 94 -14.414 -5.463 -11.187 690 HZ3 LYS 94 2HZ LYS 94 -15.788 -4.506 -10.954 691 H THR 95 H THR 95 -12.498 -0.934 -6.658 692 HA THR 95 HA THR 95 -14.892 0.538 -5.926 693 HB THR 95 HB THR 95 -15.018 -0.977 -4.003 694 HG1 THR 95 1HG THR 95 -13.409 -2.668 -3.880 695 HG21 THR 95 3HG2 THR 95 -14.960 -1.832 -6.778 696 HG22 THR 95 1HG2 THR 95 -16.114 -2.222 -5.503 697 HG23 THR 95 2HG2 THR 95 -14.631 -3.161 -5.667 698 H GLY 96 H GLY 96 -11.745 -0.163 -4.384 699 HA2 GLY 96 1HA GLY 96 -10.391 1.555 -3.413 700 HA3 GLY 96 2HA GLY 96 -11.843 2.517 -3.180 701 H ILE 97 H ILE 97 -9.805 1.859 -1.230 702 HA ILE 97 HA ILE 97 -11.241 0.067 0.596 703 HB ILE 97 HB ILE 97 -8.442 1.190 0.766 704 HG12 ILE 97 1HG1 ILE 97 -9.107 -1.718 0.547 705 HG13 ILE 97 2HG1 ILE 97 -9.163 -0.724 -0.904 706 HG21 ILE 97 1HG2 ILE 97 -9.165 0.945 2.991 707 HG22 ILE 97 2HG2 ILE 97 -10.009 -0.561 2.637 708 HG23 ILE 97 3HG2 ILE 97 -8.246 -0.518 2.639 709 HD11 ILE 97 3HD1 ILE 97 -6.780 0.017 -0.087 710 HD12 ILE 97 1HD1 ILE 97 -6.841 -1.529 0.759 711 HD13 ILE 97 2HD1 ILE 97 -7.017 -1.475 -0.996 712 H GLU 98 H GLU 98 -12.045 0.735 2.532 713 HA GLU 98 HA GLU 98 -11.958 3.634 3.048 714 HB2 GLU 98 1HB GLU 98 -14.200 3.064 2.601 715 HB3 GLU 98 2HB GLU 98 -14.096 1.573 3.528 716 HG2 GLU 98 1HG GLU 98 -13.996 2.821 5.594 717 HG3 GLU 98 2HG GLU 98 -13.986 4.343 4.702 718 H GLU 99 H GLU 99 -10.782 4.220 4.736 719 HA GLU 99 HA GLU 99 -10.021 2.261 6.740 720 HB2 GLU 99 1HB GLU 99 -9.223 5.169 6.578 721 HB3 GLU 99 2HB GLU 99 -8.439 3.902 7.511 722 HG2 GLU 99 1HG GLU 99 -7.027 4.039 5.729 723 HG3 GLU 99 2HG GLU 99 -8.132 2.787 5.162 724 H ALA 100 H ALA 100 -10.712 2.199 8.805 725 HA ALA 100 HA ALA 100 -13.126 3.063 9.643 726 HB1 ALA 100 1HB ALA 100 -11.410 1.573 10.844 727 HB2 ALA 100 2HB ALA 100 -10.849 3.068 11.592 728 HB3 ALA 100 3HB ALA 100 -12.514 2.536 11.827 729 H SER 101 H SER 101 -10.087 4.827 10.253 730 HA SER 101 HA SER 101 -10.919 6.980 11.645 731 HB2 SER 101 1HB SER 101 -8.940 6.764 9.395 732 HB3 SER 101 2HB SER 101 -9.255 8.325 10.153 733 HG SER 101 HG SER 101 -7.780 7.625 11.499 734 H GLY 102 H GLY 102 -11.409 6.465 8.184 735 HA2 GLY 102 1HA GLY 102 -13.627 7.320 7.396 736 HA3 GLY 102 2HA GLY 102 -13.179 8.832 8.172 737 H ALA 103 H ALA 103 -10.854 6.894 6.436 738 HA ALA 103 HA ALA 103 -10.751 8.988 4.366 739 HB1 ALA 103 1HB ALA 103 -8.685 9.144 5.329 740 HB2 ALA 103 2HB ALA 103 -8.631 7.434 5.757 741 HB3 ALA 103 3HB ALA 103 -8.353 7.934 4.089 742 H PHE 104 H PHE 104 -10.342 8.369 2.198 743 HA PHE 104 HA PHE 104 -10.964 5.548 1.612 744 HB2 PHE 104 1HB PHE 104 -12.116 8.064 0.529 745 HB3 PHE 104 2HB PHE 104 -11.856 6.750 -0.614 746 HD1 PHE 104 2HD PHE 104 -13.052 4.629 -0.359 747 HD2 PHE 104 1HD PHE 104 -13.805 7.938 2.210 748 HE1 PHE 104 2HE PHE 104 -15.152 3.578 0.373 749 HE2 PHE 104 1HE PHE 104 -15.907 6.891 2.948 750 HZ PHE 104 HZ PHE 104 -16.582 4.708 2.028 751 H VAL 105 H VAL 105 -9.106 4.660 0.965 752 HA VAL 105 HA VAL 105 -7.107 6.163 -0.467 753 HB VAL 105 HB VAL 105 -7.237 3.227 0.233 754 HG11 VAL 105 1HG1 VAL 105 -5.831 3.445 -1.676 755 HG12 VAL 105 2HG1 VAL 105 -5.038 4.872 -1.004 756 HG13 VAL 105 3HG1 VAL 105 -4.780 3.289 -0.268 757 HG21 VAL 105 3HG2 VAL 105 -6.083 5.637 1.568 758 HG22 VAL 105 1HG2 VAL 105 -6.988 4.291 2.262 759 HG23 VAL 105 2HG2 VAL 105 -5.307 4.067 1.778 760 H TYR 106 H TYR 106 -6.860 6.301 -2.601 761 HA TYR 106 HA TYR 106 -8.453 4.496 -4.299 762 HB2 TYR 106 1HB TYR 106 -7.541 7.325 -4.866 763 HB3 TYR 106 2HB TYR 106 -8.450 6.308 -5.978 764 HD1 TYR 106 1HD TYR 106 -10.333 5.080 -3.937 765 HD2 TYR 106 2HD TYR 106 -9.089 9.095 -4.595 766 HE1 TYR 106 1HE TYR 106 -12.440 5.886 -2.959 767 HE2 TYR 106 2HE TYR 106 -11.192 9.913 -3.617 768 HH TYR 106 HH TYR 106 -13.343 7.873 -1.913 769 H LEU 107 H LEU 107 -7.406 3.215 -5.677 770 HA LEU 107 HA LEU 107 -4.522 3.639 -6.040 771 HB2 LEU 107 1HB LEU 107 -6.010 1.114 -6.677 772 HB3 LEU 107 2HB LEU 107 -4.285 1.329 -6.389 773 HG LEU 107 HG LEU 107 -5.178 2.038 -3.982 774 HD11 LEU 107 1HD1 LEU 107 -7.337 0.340 -5.179 775 HD12 LEU 107 2HD1 LEU 107 -7.481 1.819 -4.227 776 HD13 LEU 107 3HD1 LEU 107 -7.003 0.311 -3.446 777 HD21 LEU 107 3HD2 LEU 107 -5.185 -0.749 -3.836 778 HD22 LEU 107 1HD2 LEU 107 -3.809 0.330 -3.606 779 HD23 LEU 107 2HD2 LEU 107 -4.135 -0.355 -5.199 780 H ARG 108 H ARG 108 -4.691 5.146 -7.734 781 HA ARG 108 HA ARG 108 -6.128 4.472 -10.141 782 HB2 ARG 108 1HB ARG 108 -4.207 6.727 -9.540 783 HB3 ARG 108 2HB ARG 108 -5.145 6.573 -11.018 784 HG2 ARG 108 1HG ARG 108 -7.170 6.478 -9.359 785 HG3 ARG 108 2HG ARG 108 -6.037 7.285 -8.272 786 HD2 ARG 108 1HD ARG 108 -7.047 9.082 -9.298 787 HD3 ARG 108 2HD ARG 108 -5.625 8.848 -10.316 788 HE ARG 108 HE ARG 108 -7.828 7.371 -11.313 789 HH11 ARG 108 2HH1 ARG 108 -6.566 10.607 -11.074 790 HH12 ARG 108 1HH1 ARG 108 -7.367 11.165 -12.505 791 HH21 ARG 108 2HH2 ARG 108 -8.888 8.094 -13.199 792 HH22 ARG 108 1HH2 ARG 108 -8.689 9.735 -13.713 793 H GLN 109 H GLN 109 -2.705 4.857 -9.244 794 HA GLN 109 HA GLN 109 -2.002 2.921 -11.317 795 HB2 GLN 109 1HB GLN 109 -0.278 4.279 -12.259 796 HB3 GLN 109 2HB GLN 109 -1.752 5.237 -12.254 797 HG2 GLN 109 1HG GLN 109 0.130 5.478 -9.962 798 HG3 GLN 109 2HG GLN 109 0.529 6.261 -11.490 799 HE21 GLN 109 1HE2 GLN 109 0.127 7.709 -9.187 800 HE22 GLN 109 2HE2 GLN 109 -1.322 8.638 -9.339 801 HA PRO 110 HA PRO 110 0.596 1.329 -8.143 802 HB2 PRO 110 1HB PRO 110 2.335 -0.089 -9.673 803 HB3 PRO 110 2HB PRO 110 0.669 -0.606 -9.381 804 HG2 PRO 110 1HG PRO 110 1.826 0.803 -11.756 805 HG3 PRO 110 2HG PRO 110 0.672 -0.544 -11.706 806 HD2 PRO 110 1HD PRO 110 -0.096 2.019 -12.123 807 HD3 PRO 110 2HD PRO 110 -1.118 0.843 -11.273 808 H TYR 111 H TYR 111 3.254 0.787 -8.235 809 HA TYR 111 HA TYR 111 4.570 3.318 -8.938 810 HB2 TYR 111 1HB TYR 111 4.054 3.455 -6.566 811 HB3 TYR 111 2HB TYR 111 4.787 1.880 -6.285 812 HD1 TYR 111 1HD TYR 111 5.591 5.314 -7.484 813 HD2 TYR 111 2HD TYR 111 7.041 1.731 -5.706 814 HE1 TYR 111 1HE TYR 111 7.755 6.405 -7.064 815 HE2 TYR 111 2HE TYR 111 9.208 2.813 -5.280 816 HH TYR 111 HH TYR 111 9.722 5.943 -5.221 817 H TYR 112 H TYR 112 5.866 2.619 -10.537 818 HA TYR 112 HA TYR 112 7.264 0.087 -10.324 819 HB2 TYR 112 1HB TYR 112 7.698 2.100 -12.510 820 HB3 TYR 112 2HB TYR 112 7.829 0.348 -12.582 821 HD1 TYR 112 1HD TYR 112 5.453 -0.817 -11.827 822 HD2 TYR 112 2HD TYR 112 5.935 2.974 -13.696 823 HE1 TYR 112 1HE TYR 112 3.154 -0.959 -12.690 824 HE2 TYR 112 2HE TYR 112 3.636 2.844 -14.564 825 HH TYR 112 HH TYR 112 1.794 -0.036 -14.462 826 H SER 113 H SER 113 9.044 -0.009 -9.131 827 HA SER 113 HA SER 113 10.586 2.219 -8.356 828 HB2 SER 113 1HB SER 113 10.488 0.103 -7.072 829 HB3 SER 113 2HB SER 113 11.386 -0.702 -8.358 830 HG SER 113 HG SER 113 12.442 0.435 -6.332 831 H GLY 114 H GLY 114 11.359 -0.424 -10.628 832 HA2 GLY 114 1HA GLY 114 12.349 -0.005 -12.768 833 HA3 GLY 114 2HA GLY 114 13.038 1.476 -12.119 834 HA PRO 115 HA PRO 115 15.854 -2.426 -11.657 835 HB2 PRO 115 1HB PRO 115 17.018 -2.596 -14.104 836 HB3 PRO 115 2HB PRO 115 15.560 -3.495 -13.669 837 HG2 PRO 115 1HG PRO 115 15.823 -0.943 -15.212 838 HG3 PRO 115 2HG PRO 115 14.785 -2.345 -15.536 839 HD2 PRO 115 1HD PRO 115 13.857 -0.087 -14.366 840 HD3 PRO 115 2HD PRO 115 13.207 -1.695 -13.987 841 H SER 116 H SER 116 16.055 0.751 -12.952 842 HA SER 116 HA SER 116 18.809 1.114 -13.194 843 HB2 SER 116 1HB SER 116 16.865 2.717 -13.793 844 HB3 SER 116 2HB SER 116 17.002 3.271 -12.125 845 HG SER 116 HG SER 116 18.802 3.539 -14.251 846 H SER 117 H SER 117 16.708 1.621 -10.371 847 HA SER 117 HA SER 117 18.367 2.651 -8.519 848 HB2 SER 117 1HB SER 117 17.162 1.344 -6.800 849 HB3 SER 117 2HB SER 117 16.062 2.010 -8.007 850 HG SER 117 HG SER 117 16.705 -0.618 -7.451 851 H GLY 118 H GLY 118 18.174 -0.844 -9.217 852 HA2 GLY 118 1HA GLY 118 19.857 -2.431 -9.195 853 HA3 GLY 118 2HA GLY 118 21.009 -1.148 -8.856 854 H1 MET 1 H MET 1 16.744 8.121 19.898 855 HA MET 1 HA MET 1 16.430 8.134 17.057 856 HB2 MET 1 1HB MET 1 18.767 7.325 17.264 857 HB3 MET 1 2HB MET 1 18.192 5.984 18.245 858 HG2 MET 1 1HG MET 1 16.711 5.398 16.248 859 HG3 MET 1 2HG MET 1 17.731 6.506 15.333 860 HE1 MET 1 3HE MET 1 17.671 3.600 17.765 861 HE2 MET 1 1HE MET 1 17.406 2.716 16.260 862 HE3 MET 1 2HE MET 1 18.902 2.485 17.168 863 H ASP 2 H ASP 2 14.551 7.185 16.614 864 HA ASP 2 HA ASP 2 13.423 5.346 18.616 865 HB2 ASP 2 1HB ASP 2 12.015 7.061 16.558 866 HB3 ASP 2 2HB ASP 2 11.217 5.974 17.692 867 H ASN 3 H ASN 3 12.798 3.330 18.054 868 HA ASN 3 HA ASN 3 13.873 2.036 15.867 869 HB2 ASN 3 1HB ASN 3 11.340 1.238 17.317 870 HB3 ASN 3 2HB ASN 3 12.401 0.175 16.397 871 HD21 ASN 3 1HD2 ASN 3 14.552 -0.175 17.202 872 HD22 ASN 3 2HD2 ASN 3 14.860 -0.073 18.899 873 H GLN 4 H GLN 4 13.002 1.240 13.915 874 HA GLN 4 HA GLN 4 11.340 3.088 12.534 875 HB2 GLN 4 1HB GLN 4 12.291 0.335 11.722 876 HB3 GLN 4 2HB GLN 4 11.525 1.497 10.648 877 HG2 GLN 4 1HG GLN 4 14.073 2.071 12.133 878 HG3 GLN 4 2HG GLN 4 14.030 1.356 10.522 879 HE21 GLN 4 1HE2 GLN 4 13.854 2.654 8.811 880 HE22 GLN 4 2HE2 GLN 4 13.568 4.357 8.880 881 H GLY 5 H GLY 5 9.199 3.118 12.269 882 HA2 GLY 5 1HA GLY 5 7.565 0.807 12.159 883 HA3 GLY 5 2HA GLY 5 7.464 1.532 13.757 884 H VAL 6 H VAL 6 5.724 1.297 11.150 885 HA VAL 6 HA VAL 6 4.833 4.109 11.201 886 HB VAL 6 HB VAL 6 3.846 3.562 8.897 887 HG11 VAL 6 1HG1 VAL 6 6.300 4.602 9.707 888 HG12 VAL 6 2HG1 VAL 6 6.684 3.506 8.377 889 HG13 VAL 6 3HG1 VAL 6 5.522 4.812 8.139 890 HG21 VAL 6 3HG2 VAL 6 5.893 1.352 9.076 891 HG22 VAL 6 1HG2 VAL 6 4.144 1.139 9.012 892 HG23 VAL 6 2HG2 VAL 6 5.000 1.821 7.629 893 H ILE 7 H ILE 7 2.676 4.517 11.450 894 HA ILE 7 HA ILE 7 1.088 2.506 12.677 895 HB ILE 7 HB ILE 7 0.110 5.158 11.629 896 HG12 ILE 7 1HG1 ILE 7 2.173 5.300 13.105 897 HG13 ILE 7 2HG1 ILE 7 0.762 6.183 13.672 898 HG21 ILE 7 1HG2 ILE 7 -1.255 4.718 13.896 899 HG22 ILE 7 2HG2 ILE 7 -1.808 4.177 12.312 900 HG23 ILE 7 3HG2 ILE 7 -0.978 3.053 13.386 901 HD11 ILE 7 3HD1 ILE 7 1.218 3.408 14.640 902 HD12 ILE 7 1HD1 ILE 7 2.171 4.732 15.311 903 HD13 ILE 7 2HD1 ILE 7 0.412 4.762 15.432 904 H PTR 8 H PTR 8 -0.952 1.691 11.971 905 HA PTR 8 HA PTR 8 -1.205 1.575 9.037 906 HB2 PTR 8 2HB PTR 8 -1.472 -0.531 11.140 907 HB3 PTR 8 3HB PTR 8 -2.446 -0.665 9.680 908 HD1 PTR 8 1HD PTR 8 -1.565 -1.864 7.919 909 HD2 PTR 8 2HD PTR 8 1.102 -0.007 10.664 910 HE1 PTR 8 1HE PTR 8 0.342 -2.867 6.733 911 HE2 PTR 8 2HE PTR 8 3.018 -1.004 9.486 912 H SER 9 H SER 9 -3.124 2.067 8.142 913 HA SER 9 HA SER 9 -5.207 3.080 9.899 914 HB2 SER 9 1HB SER 9 -4.700 3.255 6.936 915 HB3 SER 9 2HB SER 9 -6.248 3.740 7.629 916 HG SER 9 HG SER 9 -3.833 5.018 7.681 917 H ASP 10 H ASP 10 -6.377 1.434 10.735 918 HA ASP 10 HA ASP 10 -7.009 -0.985 9.523 919 HB2 ASP 10 1HB ASP 10 -8.116 0.587 11.790 920 HB3 ASP 10 2HB ASP 10 -9.128 -0.702 11.144 921 H LEU 11 H LEU 11 -9.484 -1.596 9.227 922 HA LEU 11 HA LEU 11 -10.512 0.245 7.177 923 HB2 LEU 11 1HB LEU 11 -10.720 -2.728 7.526 924 HB3 LEU 11 2HB LEU 11 -11.807 -1.845 6.458 925 HG LEU 11 HG LEU 11 -10.162 -1.421 4.909 926 HD11 LEU 11 1HD1 LEU 11 -7.707 -1.637 5.477 927 HD12 LEU 11 2HD1 LEU 11 -8.200 -1.718 7.167 928 HD13 LEU 11 3HD1 LEU 11 -8.562 -0.280 6.213 929 HD21 LEU 11 3HD2 LEU 11 -10.544 -3.955 5.497 930 HD22 LEU 11 1HD2 LEU 11 -8.846 -3.872 5.972 931 HD23 LEU 11 2HD2 LEU 11 -9.321 -3.469 4.322 932 H ASN 12 H ASN 12 -13.049 -0.466 6.864 933 HA ASN 12 HA ASN 12 -14.304 0.561 9.245 934 HB2 ASN 12 1HB ASN 12 -16.196 0.916 7.935 935 HB3 ASN 12 2HB ASN 12 -14.894 1.062 6.757 936 HD21 ASN 12 1HD2 ASN 12 -14.396 -0.854 5.479 937 HD22 ASN 12 2HD2 ASN 12 -15.681 -1.928 5.054 938 H LEU 13 H LEU 13 -14.686 -2.398 7.293 939 HA LEU 13 HA LEU 13 -16.548 -3.763 8.716 940 HB2 LEU 13 1HB LEU 13 -14.152 -5.341 7.998 941 HB3 LEU 13 2HB LEU 13 -15.854 -5.637 7.643 942 HG LEU 13 HG LEU 13 -15.475 -3.558 6.026 943 HD11 LEU 13 1HD1 LEU 13 -13.304 -3.518 5.047 944 HD12 LEU 13 2HD1 LEU 13 -12.772 -4.884 6.027 945 HD13 LEU 13 3HD1 LEU 13 -13.105 -3.329 6.790 946 HD21 LEU 13 3HD2 LEU 13 -15.216 -5.119 4.225 947 HD22 LEU 13 1HD2 LEU 13 -16.245 -5.855 5.455 948 HD23 LEU 13 2HD2 LEU 13 -14.555 -6.340 5.315 949 HA PRO 14 HA PRO 14 -13.173 -5.333 11.824 950 HB2 PRO 14 1HB PRO 14 -10.857 -3.918 11.904 951 HB3 PRO 14 2HB PRO 14 -11.092 -5.317 10.850 952 HG2 PRO 14 1HG PRO 14 -11.276 -2.400 10.198 953 HG3 PRO 14 2HG PRO 14 -10.521 -3.708 9.270 954 HD2 PRO 14 1HD PRO 14 -12.970 -2.724 8.670 955 HD3 PRO 14 2HD PRO 14 -12.532 -4.423 8.399 956 HA PRO 15 HA PRO 15 -14.810 -1.929 14.313 957 HB2 PRO 15 1HB PRO 15 -15.285 -3.467 16.498 958 HB3 PRO 15 2HB PRO 15 -16.377 -3.408 15.110 959 HG2 PRO 15 1HG PRO 15 -14.296 -5.447 15.798 960 HG3 PRO 15 2HG PRO 15 -15.942 -5.691 15.188 961 HD2 PRO 15 1HD PRO 15 -13.761 -5.825 13.589 962 HD3 PRO 15 2HD PRO 15 -15.336 -5.246 13.009
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