NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23779 | 2jya | 15585 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -9.030 -5.340 6.655 2 HA MET 1 HA MET 1 -9.085 -5.109 4.281 3 HB2 MET 1 1HB MET 1 -8.702 -2.140 4.861 4 HB3 MET 1 2HB MET 1 -8.626 -2.878 3.261 5 HG2 MET 1 1HG MET 1 -10.738 -1.847 3.481 6 HG3 MET 1 2HG MET 1 -11.005 -3.580 3.549 7 HE1 MET 1 3HE MET 1 -13.469 -3.225 4.579 8 HE2 MET 1 1HE MET 1 -13.221 -1.481 4.448 9 HE3 MET 1 2HE MET 1 -13.789 -2.182 5.962 10 H SER 2 H SER 2 -7.043 -5.621 3.381 11 HA SER 2 HA SER 2 -4.700 -5.066 5.095 12 HG SER 2 HG SER 2 -5.013 -8.266 2.590 13 HB2 SER 2 1HB SER 2 -3.747 -7.101 3.893 14 HB3 SER 2 2HB SER 2 -5.174 -7.430 4.875 15 H ALA 3 H ALA 3 -3.181 -3.719 4.379 16 HA ALA 3 HA ALA 3 -2.989 -2.995 1.501 17 HB1 ALA 3 3HB ALA 3 -3.357 -1.110 3.056 18 HB2 ALA 3 1HB ALA 3 -1.775 -1.000 2.290 19 HB3 ALA 3 2HB ALA 3 -1.909 -1.554 3.960 20 H LYS 4 H LYS 4 -1.174 -3.651 0.412 21 HA LYS 4 HA LYS 4 0.973 -5.048 1.870 22 HB2 LYS 4 1HB LYS 4 1.282 -6.460 -0.119 23 HB3 LYS 4 2HB LYS 4 -0.382 -6.566 0.438 24 HG2 LYS 4 1HG LYS 4 -1.008 -4.920 -1.351 25 HG3 LYS 4 2HG LYS 4 0.643 -5.015 -1.950 26 HD2 LYS 4 1HD LYS 4 -0.724 -6.449 -3.310 27 HD3 LYS 4 2HD LYS 4 0.296 -7.491 -2.313 28 HE2 LYS 4 1HE LYS 4 -1.552 -7.980 -0.835 29 HE3 LYS 4 2HE LYS 4 -2.570 -6.767 -1.613 30 HZ1 LYS 4 3HZ LYS 4 -2.518 -8.072 -3.634 31 HZ2 LYS 4 1HZ LYS 4 -3.131 -8.984 -2.345 32 HZ3 LYS 4 2HZ LYS 4 -1.553 -9.245 -2.891 33 H ILE 5 H ILE 5 2.912 -4.108 1.760 34 HA ILE 5 HA ILE 5 3.403 -1.935 -0.214 35 HB ILE 5 HB ILE 5 4.874 -2.367 2.439 36 HG12 ILE 5 1HG1 ILE 5 3.605 -0.113 3.039 37 HG13 ILE 5 2HG1 ILE 5 2.467 -0.633 1.818 38 HG21 ILE 5 1HG2 ILE 5 4.946 -0.030 0.493 39 HG22 ILE 5 2HG2 ILE 5 6.215 -1.235 0.728 40 HG23 ILE 5 3HG2 ILE 5 5.811 -0.119 2.034 41 HD11 ILE 5 3HD1 ILE 5 2.007 -2.657 3.082 42 HD12 ILE 5 1HD1 ILE 5 1.735 -1.206 4.047 43 HD13 ILE 5 2HD1 ILE 5 3.191 -2.166 4.300 44 H TYR 6 H TYR 6 4.868 -2.484 -1.782 45 HA TYR 6 HA TYR 6 7.006 -4.402 -1.232 46 HD1 TYR 6 HD1 TYR 6 2.957 -4.567 -2.034 47 HD2 TYR 6 HD2 TYR 6 5.530 -5.477 -5.338 48 HE1 TYR 6 HE1 TYR 6 1.124 -4.112 -3.594 49 HE2 TYR 6 HE2 TYR 6 3.674 -5.023 -6.891 50 HH TYR 6 HH TYR 6 0.755 -3.503 -5.891 51 HB2 TYR 6 1HB TYR 6 6.308 -5.920 -3.105 52 HB3 TYR 6 2HB TYR 6 5.184 -5.922 -1.763 53 H ARG 7 H ARG 7 8.573 -4.575 -2.871 54 HA ARG 7 HA ARG 7 8.445 -2.647 -5.127 55 HE ARG 7 HE ARG 7 12.959 -1.993 -4.770 56 HB2 ARG 7 1HB ARG 7 10.736 -3.344 -3.310 57 HB3 ARG 7 2HB ARG 7 11.119 -3.027 -4.994 58 HG2 ARG 7 1HG ARG 7 10.195 -0.775 -4.801 59 HG3 ARG 7 2HG ARG 7 9.699 -1.098 -3.135 60 HD2 ARG 7 1HD ARG 7 11.775 0.215 -3.197 61 HD3 ARG 7 2HD ARG 7 12.044 -1.362 -2.463 62 HH11 ARG 7 1HH1 ARG 7 13.228 1.276 -3.493 63 HH12 ARG 7 2HH1 ARG 7 14.698 1.605 -4.341 64 HH21 ARG 7 1HH2 ARG 7 14.868 -1.505 -5.888 65 HH22 ARG 7 2HH2 ARG 7 15.626 0.037 -5.673 66 HA PRO 8 HA PRO 8 8.497 -6.838 -6.971 67 HB2 PRO 8 1HB PRO 8 7.067 -6.215 -9.205 68 HB3 PRO 8 2HB PRO 8 6.298 -6.498 -7.638 69 HG2 PRO 8 1HG PRO 8 6.965 -3.897 -8.984 70 HG3 PRO 8 2HG PRO 8 5.490 -4.352 -8.105 71 HD2 PRO 8 1HD PRO 8 7.514 -2.856 -6.997 72 HD3 PRO 8 2HD PRO 8 6.432 -3.886 -6.044 73 H ALA 9 H ALA 9 9.431 -7.637 -9.031 74 HA ALA 9 HA ALA 9 11.882 -6.442 -9.774 75 HB1 ALA 9 3HB ALA 9 10.321 -8.607 -11.236 76 HB2 ALA 9 1HB ALA 9 11.474 -8.872 -9.925 77 HB3 ALA 9 2HB ALA 9 12.031 -8.226 -11.469 78 H LYS 10 H LYS 10 8.743 -6.601 -11.381 79 HA LYS 10 HA LYS 10 9.479 -4.294 -13.088 80 HB2 LYS 10 1HB LYS 10 7.527 -5.009 -14.513 81 HB3 LYS 10 2HB LYS 10 8.869 -6.144 -14.499 82 HG2 LYS 10 1HG LYS 10 7.628 -7.596 -12.921 83 HG3 LYS 10 2HG LYS 10 6.273 -6.462 -12.940 84 HD2 LYS 10 1HD LYS 10 7.343 -8.011 -15.333 85 HD3 LYS 10 2HD LYS 10 5.869 -8.386 -14.438 86 HE2 LYS 10 1HE LYS 10 4.828 -6.313 -15.180 87 HE3 LYS 10 2HE LYS 10 6.336 -5.773 -15.922 88 HZ1 LYS 10 3HZ LYS 10 4.794 -6.653 -17.545 89 HZ2 LYS 10 1HZ LYS 10 4.769 -8.146 -16.754 90 HZ3 LYS 10 2HZ LYS 10 6.195 -7.599 -17.475 91 H THR 11 H THR 11 8.717 -2.445 -12.271 92 HA THR 11 HA THR 11 6.745 -2.508 -10.087 93 HB THR 11 HB THR 11 7.595 -0.039 -9.808 94 HG1 THR 11 HG1 THR 11 8.773 0.437 -11.536 95 HG21 THR 11 3HG2 THR 11 9.558 -0.738 -8.550 96 HG22 THR 11 1HG2 THR 11 9.592 -2.289 -9.383 97 HG23 THR 11 2HG2 THR 11 8.260 -1.897 -8.294 98 H ALA 12 H ALA 12 5.012 -1.069 -9.939 99 HA ALA 12 HA ALA 12 3.624 -0.304 -12.302 100 HB1 ALA 12 3HB ALA 12 3.142 0.590 -9.428 101 HB2 ALA 12 1HB ALA 12 2.425 -0.825 -10.205 102 HB3 ALA 12 2HB ALA 12 2.020 0.795 -10.777 103 H MET 13 H MET 13 4.733 1.061 -13.564 104 HA MET 13 HA MET 13 6.442 3.168 -12.640 105 HB2 MET 13 1HB MET 13 5.450 2.521 -15.453 106 HB3 MET 13 2HB MET 13 6.792 3.594 -15.061 107 HG2 MET 13 1HG MET 13 8.093 1.759 -14.192 108 HG3 MET 13 2HG MET 13 6.724 0.654 -14.342 109 HE1 MET 13 3HE MET 13 9.026 -0.823 -17.096 110 HE2 MET 13 1HE MET 13 8.004 -1.163 -15.700 111 HE3 MET 13 2HE MET 13 9.490 -0.234 -15.501 112 H GLN 14 H GLN 14 3.124 2.932 -13.659 113 HA GLN 14 HA GLN 14 1.353 4.308 -13.684 114 HB2 GLN 14 1HB GLN 14 1.951 4.558 -11.295 115 HB3 GLN 14 2HB GLN 14 3.010 5.905 -11.688 116 HG2 GLN 14 1HG GLN 14 0.894 6.690 -10.718 117 HG3 GLN 14 2HG GLN 14 1.082 7.255 -12.378 118 HE21 GLN 14 2HE2 GLN 14 -0.638 5.016 -10.296 119 HE22 GLN 14 1HE2 GLN 14 -1.939 4.697 -11.386 120 H SER 15 H SER 15 1.419 4.951 -15.816 121 HA SER 15 HA SER 15 1.590 6.225 -17.658 122 HG SER 15 HG SER 15 2.376 9.131 -17.913 123 HB2 SER 15 1HB SER 15 0.453 7.922 -16.206 124 HB3 SER 15 2HB SER 15 2.029 8.558 -15.741 125 H GLY 16 H GLY 16 4.040 5.091 -16.249 126 HA2 GLY 16 1HA GLY 16 6.268 4.848 -16.681 127 HA3 GLY 16 2HA GLY 16 6.050 5.867 -18.094 128 H THR 17 H THR 17 5.317 6.962 -14.816 129 HA THR 17 HA THR 17 7.143 9.204 -15.130 130 HB THR 17 HB THR 17 6.172 9.995 -12.951 131 HG1 THR 17 HG1 THR 17 4.126 8.194 -12.846 132 HG21 THR 17 3HG2 THR 17 3.865 10.389 -13.760 133 HG22 THR 17 1HG2 THR 17 4.076 9.144 -14.994 134 HG23 THR 17 2HG2 THR 17 5.032 10.627 -15.061 135 H ALA 18 H ALA 18 6.854 6.368 -13.018 136 HA ALA 18 HA ALA 18 8.925 7.008 -11.188 137 HB1 ALA 18 3HB ALA 18 7.121 5.405 -10.667 138 HB2 ALA 18 1HB ALA 18 8.714 4.683 -10.425 139 HB3 ALA 18 2HB ALA 18 7.767 4.278 -11.860 140 H LYS 19 H LYS 19 11.065 6.566 -11.176 141 HA LYS 19 HA LYS 19 12.337 5.729 -13.695 142 HB2 LYS 19 1HB LYS 19 13.613 6.993 -11.220 143 HB3 LYS 19 2HB LYS 19 14.367 6.782 -12.798 144 HG2 LYS 19 1HG LYS 19 12.026 8.610 -12.164 145 HG3 LYS 19 2HG LYS 19 13.699 9.106 -12.441 146 HD2 LYS 19 1HD LYS 19 13.554 8.248 -14.771 147 HD3 LYS 19 2HD LYS 19 11.874 7.779 -14.485 148 HE2 LYS 19 1HE LYS 19 11.258 10.125 -14.124 149 HE3 LYS 19 2HE LYS 19 12.942 10.620 -14.328 150 HZ1 LYS 19 3HZ LYS 19 12.845 9.735 -16.592 151 HZ2 LYS 19 1HZ LYS 19 11.722 10.973 -16.333 152 HZ3 LYS 19 2HZ LYS 19 11.208 9.366 -16.379 153 H THR 20 H THR 20 13.271 5.332 -10.260 154 HA THR 20 HA THR 20 14.396 2.691 -10.723 155 HB THR 20 HB THR 20 14.905 2.834 -8.215 156 HG1 THR 20 HG1 THR 20 13.251 4.317 -7.628 157 HG21 THR 20 3HG2 THR 20 16.580 3.527 -9.894 158 HG22 THR 20 1HG2 THR 20 16.671 4.532 -8.446 159 HG23 THR 20 2HG2 THR 20 15.903 5.157 -9.907 160 H ASN 21 H ASN 21 13.844 1.069 -8.767 161 HA ASN 21 HA ASN 21 11.139 0.246 -9.071 162 HB2 ASN 21 1HB ASN 21 13.251 -0.661 -7.069 163 HB3 ASN 21 2HB ASN 21 11.706 -1.467 -7.318 164 HD21 ASN 21 2HD2 ASN 21 11.472 -2.834 -9.062 165 HD22 ASN 21 1HD2 ASN 21 12.747 -3.205 -10.166 166 H VAL 22 H VAL 22 9.829 1.910 -8.443 167 HA VAL 22 HA VAL 22 9.814 3.181 -5.883 168 HB VAL 22 HB VAL 22 8.821 4.149 -7.990 169 HG11 VAL 22 1HG1 VAL 22 6.594 2.109 -7.618 170 HG12 VAL 22 2HG1 VAL 22 7.785 2.117 -8.920 171 HG13 VAL 22 3HG1 VAL 22 6.602 3.421 -8.798 172 HG21 VAL 22 3HG2 VAL 22 6.841 3.939 -5.689 173 HG22 VAL 22 1HG2 VAL 22 6.812 5.164 -6.959 174 HG23 VAL 22 2HG2 VAL 22 8.161 5.103 -5.823 175 H TRP 23 H TRP 23 8.102 2.830 -4.204 176 HA TRP 23 HA TRP 23 7.551 -0.014 -3.755 177 HD1 TRP 23 HD1 TRP 23 9.796 2.939 -2.166 178 HE1 TRP 23 HE1 TRP 23 11.747 1.934 -0.838 179 HE3 TRP 23 HE3 TRP 23 7.545 -1.351 -0.523 180 HZ2 TRP 23 HZ2 TRP 23 12.285 -0.370 0.681 181 HZ3 TRP 23 HZ3 TRP 23 8.859 -2.918 0.853 182 HH2 TRP 23 HH2 TRP 23 11.181 -2.436 1.441 183 HB2 TRP 23 1HB TRP 23 7.093 2.414 -1.943 184 HB3 TRP 23 2HB TRP 23 6.670 0.757 -1.517 185 H VAL 24 H VAL 24 5.611 -0.810 -4.314 186 HA VAL 24 HA VAL 24 3.413 0.999 -5.025 187 HB VAL 24 HB VAL 24 3.629 -2.010 -5.534 188 HG11 VAL 24 1HG1 VAL 24 1.327 -1.164 -5.589 189 HG12 VAL 24 2HG1 VAL 24 1.845 -1.623 -7.212 190 HG13 VAL 24 3HG1 VAL 24 1.785 0.081 -6.754 191 HG21 VAL 24 3HG2 VAL 24 4.351 0.216 -7.483 192 HG22 VAL 24 1HG2 VAL 24 4.289 -1.512 -7.859 193 HG23 VAL 24 2HG2 VAL 24 5.487 -0.897 -6.718 194 H LEU 25 H LEU 25 1.598 0.972 -3.838 195 HA LEU 25 HA LEU 25 1.308 -0.806 -1.496 196 HG LEU 25 HG LEU 25 -1.220 0.773 -0.507 197 HB2 LEU 25 1HB LEU 25 1.698 1.552 -0.874 198 HB3 LEU 25 2HB LEU 25 0.420 2.085 -1.955 199 HD11 LEU 25 1HD1 LEU 25 1.133 0.598 1.383 200 HD12 LEU 25 2HD1 LEU 25 0.299 -0.748 0.599 201 HD13 LEU 25 3HD1 LEU 25 -0.545 0.236 1.791 202 HD21 LEU 25 3HD2 LEU 25 0.255 3.062 0.813 203 HD22 LEU 25 1HD2 LEU 25 -1.363 2.487 1.233 204 HD23 LEU 25 2HD2 LEU 25 -1.066 3.194 -0.355 205 H GLU 26 H GLU 26 -0.053 -2.316 -2.244 206 HA GLU 26 HA GLU 26 -2.516 -1.495 -3.717 207 HB2 GLU 26 1HB GLU 26 -1.176 -3.254 -4.893 208 HB3 GLU 26 2HB GLU 26 -1.316 -4.300 -3.488 209 HG2 GLU 26 1HG GLU 26 -3.819 -4.267 -3.779 210 HG3 GLU 26 2HG GLU 26 -3.582 -3.344 -5.260 211 H PHE 27 H PHE 27 -4.446 -1.702 -2.627 212 HA PHE 27 HA PHE 27 -4.504 -3.371 -0.197 213 HD1 PHE 27 HD1 PHE 27 -3.521 0.439 -1.348 214 HD2 PHE 27 HD2 PHE 27 -7.396 -0.035 0.414 215 HE1 PHE 27 HE1 PHE 27 -4.215 2.597 -2.280 216 HE2 PHE 27 HE2 PHE 27 -8.083 2.129 -0.535 217 HZ PHE 27 HZ PHE 27 -6.491 3.446 -1.877 218 HB2 PHE 27 1HB PHE 27 -5.612 -1.514 1.064 219 HB3 PHE 27 2HB PHE 27 -3.954 -1.158 0.617 220 H ASP 28 H ASP 28 -6.448 -4.183 0.412 221 HA ASP 28 HA ASP 28 -8.677 -4.415 -1.203 222 HB2 ASP 28 1HB ASP 28 -8.049 -5.802 0.791 223 HB3 ASP 28 2HB ASP 28 -8.522 -4.467 1.833 224 H ALA 29 H ALA 29 -9.087 -2.355 -2.056 225 HA ALA 29 HA ALA 29 -9.904 -0.107 -0.460 226 HB1 ALA 29 3HB ALA 29 -10.202 -0.599 -3.442 227 HB2 ALA 29 1HB ALA 29 -8.841 0.206 -2.657 228 HB3 ALA 29 2HB ALA 29 -10.444 0.946 -2.615 229 H GLU 30 H GLU 30 -11.779 -0.131 0.581 230 HA GLU 30 HA GLU 30 -13.884 -1.982 0.025 231 HB2 GLU 30 1HB GLU 30 -15.047 -0.862 1.930 232 HB3 GLU 30 2HB GLU 30 -13.418 -1.395 2.319 233 HG2 GLU 30 1HG GLU 30 -12.575 0.882 2.176 234 HG3 GLU 30 2HG GLU 30 -14.143 1.470 1.625 235 H VAL 31 H VAL 31 -15.147 -1.714 -1.715 236 HA VAL 31 HA VAL 31 -16.439 0.914 -2.157 237 HB VAL 31 HB VAL 31 -15.515 0.071 -4.229 238 HG11 VAL 31 1HG1 VAL 31 -15.304 -2.311 -3.704 239 HG12 VAL 31 2HG1 VAL 31 -16.106 -2.081 -5.259 240 HG13 VAL 31 3HG1 VAL 31 -17.056 -2.513 -3.834 241 HG21 VAL 31 3HG2 VAL 31 -17.517 -0.009 -5.671 242 HG22 VAL 31 1HG2 VAL 31 -17.683 1.216 -4.410 243 HG23 VAL 31 2HG2 VAL 31 -18.529 -0.327 -4.260 244 HA PRO 32 HA PRO 32 -19.324 -1.301 0.639 245 HB2 PRO 32 1HB PRO 32 -20.686 0.883 1.555 246 HB3 PRO 32 2HB PRO 32 -19.044 0.504 2.097 247 HG2 PRO 32 1HG PRO 32 -19.936 2.447 -0.035 248 HG3 PRO 32 2HG PRO 32 -18.765 2.698 1.278 249 HD2 PRO 32 1HD PRO 32 -17.972 2.116 -1.259 250 HD3 PRO 32 2HD PRO 32 -17.064 1.540 0.157 251 H ARG 33 H ARG 33 -21.914 -0.587 1.069 252 HA ARG 33 HA ARG 33 -23.351 -1.492 -1.168 253 HE ARG 33 HE ARG 33 -25.581 -1.582 3.124 254 HB2 ARG 33 1HB ARG 33 -25.402 -0.867 0.097 255 HB3 ARG 33 2HB ARG 33 -24.266 -1.801 1.058 256 HG2 ARG 33 1HG ARG 33 -23.747 -0.004 2.468 257 HG3 ARG 33 2HG ARG 33 -24.216 1.205 1.273 258 HD2 ARG 33 1HD ARG 33 -25.869 1.240 2.991 259 HD3 ARG 33 2HD ARG 33 -26.596 0.476 1.570 260 HH11 ARG 33 1HH1 ARG 33 -28.015 0.915 3.566 261 HH12 ARG 33 2HH1 ARG 33 -28.957 -0.026 4.674 262 HH21 ARG 33 1HH2 ARG 33 -26.786 -2.788 4.609 263 HH22 ARG 33 2HH2 ARG 33 -28.258 -2.140 5.259 264 H LYS 34 H LYS 34 -23.326 -0.411 -2.973 265 HA LYS 34 HA LYS 34 -24.056 2.381 -3.283 266 HB2 LYS 34 1HB LYS 34 -21.258 1.387 -4.028 267 HB3 LYS 34 2HB LYS 34 -21.944 2.893 -4.618 268 HG2 LYS 34 1HG LYS 34 -21.270 2.231 -1.732 269 HG3 LYS 34 2HG LYS 34 -20.365 3.303 -2.803 270 HD2 LYS 34 1HD LYS 34 -23.222 3.765 -1.853 271 HD3 LYS 34 2HD LYS 34 -21.791 4.545 -1.182 272 HE2 LYS 34 1HE LYS 34 -21.383 5.699 -3.303 273 HE3 LYS 34 2HE LYS 34 -22.722 4.835 -4.066 274 HZ1 LYS 34 3HZ LYS 34 -22.988 6.705 -1.779 275 HZ2 LYS 34 1HZ LYS 34 -24.251 5.931 -2.595 276 HZ3 LYS 34 2HZ LYS 34 -23.313 7.085 -3.391 277 H ILE 35 H ILE 35 -25.779 1.176 -4.323 278 HA ILE 35 HA ILE 35 -25.256 -0.104 -6.881 279 HB ILE 35 HB ILE 35 -27.780 -0.191 -7.103 280 HG12 ILE 35 1HG1 ILE 35 -29.020 0.136 -4.757 281 HG13 ILE 35 2HG1 ILE 35 -27.703 1.244 -4.410 282 HG21 ILE 35 1HG2 ILE 35 -26.540 -2.091 -6.241 283 HG22 ILE 35 2HG2 ILE 35 -28.077 -1.952 -5.389 284 HG23 ILE 35 3HG2 ILE 35 -26.586 -1.432 -4.601 285 HD11 ILE 35 3HD1 ILE 35 -29.683 2.414 -5.168 286 HD12 ILE 35 1HD1 ILE 35 -29.687 1.494 -6.675 287 HD13 ILE 35 2HD1 ILE 35 -28.371 2.618 -6.328 288 H ASP 36 H ASP 36 -26.024 0.717 -8.916 289 HA ASP 36 HA ASP 36 -25.753 3.610 -9.186 290 HB2 ASP 36 1HB ASP 36 -24.765 1.812 -10.808 291 HB3 ASP 36 2HB ASP 36 -26.376 1.693 -11.465 292 HA PRO 37 HA PRO 37 -30.242 4.254 -8.941 293 HB2 PRO 37 1HB PRO 37 -30.362 6.698 -10.277 294 HB3 PRO 37 2HB PRO 37 -29.908 6.512 -8.576 295 HG2 PRO 37 1HG PRO 37 -28.122 6.709 -11.007 296 HG3 PRO 37 2HG PRO 37 -27.986 7.577 -9.457 297 HD2 PRO 37 1HD PRO 37 -26.443 5.454 -9.933 298 HD3 PRO 37 2HD PRO 37 -27.182 5.645 -8.326 299 H ILE 38 H ILE 38 -28.507 4.347 -12.009 300 HA ILE 38 HA ILE 38 -30.819 4.289 -13.739 301 HB ILE 38 HB ILE 38 -27.963 3.438 -14.419 302 HG12 ILE 38 1HG1 ILE 38 -27.899 5.689 -13.460 303 HG13 ILE 38 2HG1 ILE 38 -27.550 5.746 -15.182 304 HG21 ILE 38 1HG2 ILE 38 -29.583 2.766 -16.140 305 HG22 ILE 38 2HG2 ILE 38 -28.550 4.060 -16.751 306 HG23 ILE 38 3HG2 ILE 38 -30.204 4.416 -16.242 307 HD11 ILE 38 3HD1 ILE 38 -30.174 6.508 -13.890 308 HD12 ILE 38 1HD1 ILE 38 -29.825 6.564 -15.620 309 HD13 ILE 38 2HD1 ILE 38 -28.945 7.610 -14.508 310 H MET 39 H MET 39 -28.576 1.936 -12.379 311 HA MET 39 HA MET 39 -29.657 -0.336 -13.857 312 HB2 MET 39 1HB MET 39 -27.462 -0.183 -11.743 313 HB3 MET 39 2HB MET 39 -27.816 -1.581 -12.756 314 HG2 MET 39 1HG MET 39 -27.157 -0.363 -14.751 315 HG3 MET 39 2HG MET 39 -26.935 1.120 -13.807 316 HE1 MET 39 3HE MET 39 -24.496 1.464 -14.773 317 HE2 MET 39 1HE MET 39 -24.685 0.019 -15.763 318 HE3 MET 39 2HE MET 39 -23.247 0.215 -14.760 319 H GLY 40 H GLY 40 -30.185 1.192 -10.825 320 HA2 GLY 40 1HA GLY 40 -31.554 0.767 -9.048 321 HA3 GLY 40 2HA GLY 40 -32.336 -0.464 -10.030 322 H TYR 41 H TYR 41 -32.368 -2.338 -8.938 323 HA TYR 41 HA TYR 41 -30.372 -3.176 -7.035 324 HD1 TYR 41 HD1 TYR 41 -34.038 -2.534 -7.566 325 HD2 TYR 41 HD2 TYR 41 -32.044 -5.171 -4.855 326 HE1 TYR 41 HE1 TYR 41 -35.408 -1.678 -5.711 327 HE2 TYR 41 HE2 TYR 41 -33.414 -4.317 -3.015 328 HH TYR 41 HH TYR 41 -36.172 -2.394 -3.485 329 HB2 TYR 41 1HB TYR 41 -32.705 -4.633 -8.352 330 HB3 TYR 41 2HB TYR 41 -31.634 -5.404 -7.184 331 H THR 42 H THR 42 -28.392 -3.556 -7.780 332 HA THR 42 HA THR 42 -27.999 -5.320 -10.116 333 HB THR 42 HB THR 42 -27.367 -3.168 -10.926 334 HG1 THR 42 HG1 THR 42 -24.777 -3.622 -10.540 335 HG21 THR 42 3HG2 THR 42 -25.799 -1.629 -9.817 336 HG22 THR 42 1HG2 THR 42 -25.671 -2.727 -8.440 337 HG23 THR 42 2HG2 THR 42 -27.203 -1.927 -8.791 338 H SER 43 H SER 43 -27.565 -7.190 -9.116 339 HA SER 43 HA SER 43 -25.868 -7.582 -6.863 340 HG SER 43 HG SER 43 -25.125 -10.611 -7.843 341 HB2 SER 43 1HB SER 43 -27.572 -9.257 -7.615 342 HB3 SER 43 2HB SER 43 -26.605 -9.586 -9.051 343 H SER 44 H SER 44 -25.236 -7.035 -10.227 344 HA SER 44 HA SER 44 -22.516 -7.981 -10.269 345 HG SER 44 HG SER 44 -21.733 -5.940 -12.459 346 HB2 SER 44 1HB SER 44 -23.843 -7.839 -12.357 347 HB3 SER 44 2HB SER 44 -23.948 -6.088 -12.177 348 H SER 45 H SER 45 -21.901 -7.010 -8.320 349 HA SER 45 HA SER 45 -20.369 -4.621 -8.588 350 HG SER 45 HG SER 45 -20.868 -3.642 -5.691 351 HB2 SER 45 1HB SER 45 -22.523 -3.541 -8.003 352 HB3 SER 45 2HB SER 45 -22.710 -4.608 -6.612 353 H ASP 46 H ASP 46 -18.661 -5.933 -8.072 354 HA ASP 46 HA ASP 46 -18.661 -8.011 -6.161 355 HB2 ASP 46 1HB ASP 46 -17.045 -7.803 -8.104 356 HB3 ASP 46 2HB ASP 46 -16.219 -6.518 -7.233 357 H MET 47 H MET 47 -17.573 -8.118 -4.129 358 HA MET 47 HA MET 47 -18.576 -6.312 -2.306 359 HB2 MET 47 1HB MET 47 -16.327 -8.333 -1.997 360 HB3 MET 47 2HB MET 47 -17.054 -7.486 -0.637 361 HG2 MET 47 1HG MET 47 -17.978 -9.725 -0.844 362 HG3 MET 47 2HG MET 47 -19.230 -8.523 -1.158 363 HE1 MET 47 3HE MET 47 -19.615 -11.613 -1.962 364 HE2 MET 47 1HE MET 47 -20.332 -11.411 -3.561 365 HE3 MET 47 2HE MET 47 -20.811 -10.344 -2.243 366 H LYS 48 H LYS 48 -15.083 -6.685 -3.072 367 HA LYS 48 HA LYS 48 -14.644 -3.796 -2.616 368 HB2 LYS 48 1HB LYS 48 -12.826 -6.001 -1.524 369 HB3 LYS 48 2HB LYS 48 -12.437 -4.288 -1.540 370 HG2 LYS 48 1HG LYS 48 -13.074 -4.691 0.671 371 HG3 LYS 48 2HG LYS 48 -14.511 -3.968 -0.051 372 HD2 LYS 48 1HD LYS 48 -15.076 -5.872 1.422 373 HD3 LYS 48 2HD LYS 48 -15.557 -6.175 -0.242 374 HE2 LYS 48 1HE LYS 48 -14.611 -8.198 0.700 375 HE3 LYS 48 2HE LYS 48 -13.514 -7.584 -0.537 376 HZ1 LYS 48 3HZ LYS 48 -13.210 -7.264 2.398 377 HZ2 LYS 48 1HZ LYS 48 -12.173 -6.611 1.235 378 HZ3 LYS 48 2HZ LYS 48 -12.305 -8.285 1.399 379 H GLN 49 H GLN 49 -12.277 -3.311 -3.372 380 HA GLN 49 HA GLN 49 -11.557 -4.725 -5.859 381 HB2 GLN 49 1HB GLN 49 -11.354 -2.491 -7.022 382 HB3 GLN 49 2HB GLN 49 -13.010 -2.926 -6.619 383 HG2 GLN 49 1HG GLN 49 -12.948 -1.426 -4.666 384 HG3 GLN 49 2HG GLN 49 -11.279 -1.002 -5.041 385 HE21 GLN 49 2HE2 GLN 49 -11.880 1.209 -5.176 386 HE22 GLN 49 1HE2 GLN 49 -12.750 1.838 -6.533 387 H GLN 50 H GLN 50 -9.300 -4.394 -6.431 388 HA GLN 50 HA GLN 50 -7.662 -3.534 -4.108 389 HB2 GLN 50 1HB GLN 50 -5.977 -5.184 -4.731 390 HB3 GLN 50 2HB GLN 50 -7.534 -5.955 -4.504 391 HG2 GLN 50 1HG GLN 50 -6.254 -5.353 -7.190 392 HG3 GLN 50 2HG GLN 50 -6.241 -6.916 -6.382 393 HE21 GLN 50 2HE2 GLN 50 -7.350 -6.009 -9.010 394 HE22 GLN 50 1HE2 GLN 50 -8.994 -6.543 -9.003 395 H VAL 51 H VAL 51 -7.447 -1.328 -4.688 396 HA VAL 51 HA VAL 51 -6.189 -0.688 -7.250 397 HB VAL 51 HB VAL 51 -6.764 1.619 -6.790 398 HG11 VAL 51 1HG1 VAL 51 -9.240 1.500 -6.684 399 HG12 VAL 51 2HG1 VAL 51 -9.138 -0.164 -6.106 400 HG13 VAL 51 3HG1 VAL 51 -8.578 0.241 -7.731 401 HG21 VAL 51 3HG2 VAL 51 -7.939 2.335 -4.703 402 HG22 VAL 51 1HG2 VAL 51 -6.301 1.756 -4.393 403 HG23 VAL 51 2HG2 VAL 51 -7.682 0.724 -4.032 404 H LYS 52 H LYS 52 -4.435 1.161 -7.009 405 HA LYS 52 HA LYS 52 -2.710 0.651 -4.727 406 HB2 LYS 52 1HB LYS 52 -0.767 -0.020 -6.113 407 HB3 LYS 52 2HB LYS 52 -2.094 -1.172 -6.136 408 HG2 LYS 52 1HG LYS 52 -2.791 -0.218 -8.373 409 HG3 LYS 52 2HG LYS 52 -1.307 0.742 -8.355 410 HD2 LYS 52 1HD LYS 52 -1.057 -1.349 -9.677 411 HD3 LYS 52 2HD LYS 52 0.054 -1.307 -8.304 412 HE2 LYS 52 1HE LYS 52 -1.524 -2.746 -7.021 413 HE3 LYS 52 2HE LYS 52 -2.586 -2.817 -8.426 414 HZ1 LYS 52 3HZ LYS 52 0.145 -3.922 -8.166 415 HZ2 LYS 52 1HZ LYS 52 -0.704 -3.842 -9.627 416 HZ3 LYS 52 2HZ LYS 52 -1.309 -4.769 -8.350 417 H LEU 53 H LEU 53 -1.065 1.963 -4.431 418 HA LEU 53 HA LEU 53 -0.952 4.581 -5.819 419 HG LEU 53 HG LEU 53 -2.862 3.780 -3.204 420 HB2 LEU 53 1HB LEU 53 -0.414 4.039 -2.856 421 HB3 LEU 53 2HB LEU 53 -0.465 5.609 -3.645 422 HD11 LEU 53 1HD1 LEU 53 -2.030 4.694 -1.096 423 HD12 LEU 53 2HD1 LEU 53 -3.597 5.381 -1.515 424 HD13 LEU 53 3HD1 LEU 53 -2.126 6.334 -1.744 425 HD21 LEU 53 3HD2 LEU 53 -3.157 5.154 -5.211 426 HD22 LEU 53 1HD2 LEU 53 -2.797 6.617 -4.288 427 HD23 LEU 53 2HD2 LEU 53 -4.246 5.672 -3.926 428 H THR 54 H THR 54 1.274 5.504 -5.828 429 HA THR 54 HA THR 54 3.450 3.566 -5.215 430 HB THR 54 HB THR 54 4.759 4.718 -7.060 431 HG1 THR 54 HG1 THR 54 3.584 6.631 -7.257 432 HG21 THR 54 3HG2 THR 54 2.183 3.372 -7.961 433 HG22 THR 54 1HG2 THR 54 3.675 2.541 -7.506 434 HG23 THR 54 2HG2 THR 54 3.640 3.571 -8.940 435 H PHE 55 H PHE 55 4.962 4.223 -3.828 436 HA PHE 55 HA PHE 55 5.358 7.081 -3.144 437 HD1 PHE 55 HD1 PHE 55 2.896 4.132 -1.651 438 HD2 PHE 55 HD2 PHE 55 3.930 8.131 -0.543 439 HE1 PHE 55 HE1 PHE 55 0.545 4.612 -1.142 440 HE2 PHE 55 HE2 PHE 55 1.571 8.596 -0.040 441 HZ PHE 55 HZ PHE 55 -0.122 6.833 -0.340 442 HB2 PHE 55 1HB PHE 55 5.241 4.751 -1.156 443 HB3 PHE 55 2HB PHE 55 5.663 6.411 -0.754 444 H GLU 56 H GLU 56 7.499 7.579 -2.482 445 HA GLU 56 HA GLU 56 9.528 6.053 -3.836 446 HB2 GLU 56 1HB GLU 56 9.742 8.533 -2.078 447 HB3 GLU 56 2HB GLU 56 11.110 7.807 -2.922 448 HG2 GLU 56 1HG GLU 56 9.892 8.171 -5.088 449 HG3 GLU 56 2HG GLU 56 8.646 9.047 -4.196 450 H THR 57 H THR 57 8.360 6.119 -0.557 451 HA THR 57 HA THR 57 10.406 4.128 0.219 452 HB THR 57 HB THR 57 10.302 5.057 2.582 453 HG1 THR 57 HG1 THR 57 9.427 7.127 2.858 454 HG21 THR 57 3HG2 THR 57 12.236 5.620 1.166 455 HG22 THR 57 1HG2 THR 57 11.801 6.989 2.191 456 HG23 THR 57 2HG2 THR 57 11.361 6.992 0.482 457 H GLN 58 H GLN 58 9.748 2.564 1.690 458 HA GLN 58 HA GLN 58 7.192 1.519 1.804 459 HB2 GLN 58 1HB GLN 58 9.182 0.229 2.382 460 HB3 GLN 58 2HB GLN 58 9.544 1.300 3.728 461 HG2 GLN 58 1HG GLN 58 7.490 0.496 4.881 462 HG3 GLN 58 2HG GLN 58 7.213 -0.633 3.557 463 HE21 GLN 58 2HE2 GLN 58 10.040 -1.330 3.234 464 HE22 GLN 58 1HE2 GLN 58 10.450 -2.313 4.592 465 H GLU 59 H GLU 59 8.829 3.721 4.003 466 HA GLU 59 HA GLU 59 7.058 3.666 6.167 467 HB2 GLU 59 1HB GLU 59 8.995 5.854 5.308 468 HB3 GLU 59 2HB GLU 59 8.133 5.861 6.840 469 HG2 GLU 59 1HG GLU 59 10.394 5.088 7.206 470 HG3 GLU 59 2HG GLU 59 9.273 3.756 7.489 471 H GLN 60 H GLN 60 7.027 5.641 3.227 472 HA GLN 60 HA GLN 60 4.877 7.378 4.052 473 HB2 GLN 60 1HB GLN 60 6.137 6.815 1.345 474 HB3 GLN 60 2HB GLN 60 4.816 7.963 1.561 475 HG2 GLN 60 1HG GLN 60 6.206 9.303 3.080 476 HG3 GLN 60 2HG GLN 60 7.530 8.152 2.905 477 HE21 GLN 60 2HE2 GLN 60 7.218 7.750 0.049 478 HE22 GLN 60 1HE2 GLN 60 7.738 9.208 -0.715 479 H ALA 61 H ALA 61 5.013 4.172 2.510 480 HA ALA 61 HA ALA 61 2.321 4.288 1.431 481 HB1 ALA 61 3HB ALA 61 4.086 3.033 0.267 482 HB2 ALA 61 1HB ALA 61 2.775 1.957 0.749 483 HB3 ALA 61 2HB ALA 61 4.287 1.973 1.661 484 H GLU 62 H GLU 62 4.001 2.736 4.136 485 HA GLU 62 HA GLU 62 1.711 1.511 5.260 486 HB2 GLU 62 1HB GLU 62 3.048 1.102 7.251 487 HB3 GLU 62 2HB GLU 62 4.019 0.791 5.815 488 HG2 GLU 62 1HG GLU 62 5.129 2.966 6.095 489 HG3 GLU 62 2HG GLU 62 4.158 3.290 7.525 490 H ALA 63 H ALA 63 3.240 4.700 5.793 491 HA ALA 63 HA ALA 63 1.753 5.628 7.941 492 HB1 ALA 63 3HB ALA 63 2.322 7.899 7.173 493 HB2 ALA 63 1HB ALA 63 2.782 7.256 5.591 494 HB3 ALA 63 2HB ALA 63 3.705 6.813 7.027 495 H TYR 64 H TYR 64 0.863 5.537 4.503 496 HA TYR 64 HA TYR 64 -1.527 7.053 4.608 497 HD1 TYR 64 HD1 TYR 64 -2.789 7.701 1.919 498 HD2 TYR 64 HD2 TYR 64 -2.654 3.454 2.405 499 HE1 TYR 64 HE1 TYR 64 -5.006 7.499 0.882 500 HE2 TYR 64 HE2 TYR 64 -4.863 3.254 1.360 501 HH TYR 64 HH TYR 64 -6.321 5.723 -0.363 502 HB2 TYR 64 1HB TYR 64 -0.612 6.518 2.428 503 HB3 TYR 64 2HB TYR 64 -0.617 4.793 2.765 504 H ALA 65 H ALA 65 -1.038 3.537 4.606 505 HA ALA 65 HA ALA 65 -3.592 2.628 5.045 506 HB1 ALA 65 3HB ALA 65 -1.685 1.219 4.366 507 HB2 ALA 65 1HB ALA 65 -2.514 0.524 5.761 508 HB3 ALA 65 2HB ALA 65 -0.984 1.377 5.978 509 H GLN 66 H GLN 66 -1.134 3.366 7.497 510 HA GLN 66 HA GLN 66 -2.515 2.620 9.817 511 HB2 GLN 66 1HB GLN 66 -0.258 4.629 9.415 512 HB3 GLN 66 2HB GLN 66 -0.842 4.136 11.004 513 HG2 GLN 66 1HG GLN 66 -0.187 1.825 10.561 514 HG3 GLN 66 2HG GLN 66 0.330 2.255 8.934 515 HE21 GLN 66 2HE2 GLN 66 2.270 3.438 8.678 516 HE22 GLN 66 1HE2 GLN 66 3.447 3.532 9.934 517 H ARG 67 H ARG 67 -2.207 5.780 8.217 518 HA ARG 67 HA ARG 67 -3.719 7.343 10.012 519 HE ARG 67 HE ARG 67 -4.427 12.233 7.338 520 HB2 ARG 67 1HB ARG 67 -2.118 8.201 8.266 521 HB3 ARG 67 2HB ARG 67 -3.292 7.786 7.021 522 HG2 ARG 67 1HG ARG 67 -4.862 9.448 7.879 523 HG3 ARG 67 2HG ARG 67 -3.811 9.776 9.258 524 HD2 ARG 67 1HD ARG 67 -2.037 10.533 7.592 525 HD3 ARG 67 2HD ARG 67 -3.279 10.430 6.343 526 HH11 ARG 67 1HH1 ARG 67 -1.380 11.582 8.996 527 HH12 ARG 67 2HH1 ARG 67 -1.337 13.134 9.766 528 HH21 ARG 67 1HH2 ARG 67 -4.350 14.253 8.355 529 HH22 ARG 67 2HH2 ARG 67 -3.025 14.651 9.403 530 H LYS 68 H LYS 68 -4.666 5.264 7.324 531 HA LYS 68 HA LYS 68 -7.448 6.208 7.302 532 HB2 LYS 68 1HB LYS 68 -6.055 4.027 5.678 533 HB3 LYS 68 2HB LYS 68 -7.715 4.567 5.440 534 HG2 LYS 68 1HG LYS 68 -5.200 6.204 4.997 535 HG3 LYS 68 2HG LYS 68 -6.259 5.539 3.750 536 HD2 LYS 68 1HD LYS 68 -8.113 7.003 4.642 537 HD3 LYS 68 2HD LYS 68 -6.954 7.728 5.759 538 HE2 LYS 68 1HE LYS 68 -5.619 8.525 3.834 539 HE3 LYS 68 2HE LYS 68 -6.786 7.801 2.726 540 HZ1 LYS 68 3HZ LYS 68 -7.168 10.155 3.004 541 HZ2 LYS 68 1HZ LYS 68 -7.350 9.966 4.673 542 HZ3 LYS 68 2HZ LYS 68 -8.476 9.274 3.619 543 H GLY 69 H GLY 69 -5.578 3.842 8.952 544 HA2 GLY 69 1HA GLY 69 -6.329 2.427 10.659 545 HA3 GLY 69 2HA GLY 69 -7.968 2.512 10.032 546 H ILE 70 H ILE 70 -6.185 2.033 7.414 547 HA ILE 70 HA ILE 70 -6.869 -0.726 7.061 548 HB ILE 70 HB ILE 70 -4.887 0.886 5.382 549 HG12 ILE 70 1HG1 ILE 70 -7.885 0.495 4.914 550 HG13 ILE 70 2HG1 ILE 70 -7.157 1.971 5.537 551 HG21 ILE 70 1HG2 ILE 70 -6.442 -1.635 4.677 552 HG22 ILE 70 2HG2 ILE 70 -4.711 -1.549 4.998 553 HG23 ILE 70 3HG2 ILE 70 -5.384 -0.736 3.584 554 HD11 ILE 70 3HD1 ILE 70 -5.937 2.252 3.416 555 HD12 ILE 70 1HD1 ILE 70 -7.685 2.193 3.181 556 HD13 ILE 70 2HD1 ILE 70 -6.698 0.784 2.794 557 H GLU 71 H GLU 71 -5.974 -2.157 8.360 558 HA GLU 71 HA GLU 71 -3.328 -2.324 9.351 559 HB2 GLU 71 1HB GLU 71 -3.719 -4.865 9.406 560 HB3 GLU 71 2HB GLU 71 -4.804 -3.870 10.367 561 HG2 GLU 71 1HG GLU 71 -5.655 -4.667 7.596 562 HG3 GLU 71 2HG GLU 71 -5.686 -5.883 8.857 563 H TYR 72 H TYR 72 -1.390 -3.433 8.488 564 HA TYR 72 HA TYR 72 -1.493 -3.919 5.580 565 HD1 TYR 72 HD2 TYR 72 -0.586 -0.768 8.336 566 HD2 TYR 72 HD1 TYR 72 2.568 -2.741 6.237 567 HE1 TYR 72 HE2 TYR 72 1.035 0.022 10.007 568 HE2 TYR 72 HE1 TYR 72 4.178 -1.948 7.907 569 HH TYR 72 HH TYR 72 4.387 -0.112 9.545 570 HB2 TYR 72 1HB TYR 72 0.372 -2.424 5.160 571 HB3 TYR 72 2HB TYR 72 -0.900 -1.528 5.972 572 H ARG 73 H ARG 73 -0.040 -5.320 4.783 573 HA ARG 73 HA ARG 73 1.960 -6.597 6.552 574 HE ARG 73 HE ARG 73 3.091 -11.228 6.005 575 HB2 ARG 73 1HB ARG 73 -0.070 -7.871 5.263 576 HB3 ARG 73 2HB ARG 73 1.073 -7.849 3.933 577 HG2 ARG 73 1HG ARG 73 1.495 -9.132 6.659 578 HG3 ARG 73 2HG ARG 73 1.145 -9.971 5.151 579 HD2 ARG 73 1HD ARG 73 3.329 -9.246 4.243 580 HD3 ARG 73 2HD ARG 73 3.665 -8.380 5.747 581 HH11 ARG 73 1HH1 ARG 73 5.604 -8.770 5.880 582 HH12 ARG 73 2HH1 ARG 73 6.833 -9.836 6.476 583 HH21 ARG 73 1HH2 ARG 73 4.683 -12.588 6.816 584 HH22 ARG 73 2HH2 ARG 73 6.304 -12.011 7.021 585 H VAL 74 H VAL 74 4.027 -6.056 6.049 586 HA VAL 74 HA VAL 74 4.658 -4.751 3.501 587 HB VAL 74 HB VAL 74 6.462 -5.254 5.913 588 HG11 VAL 74 1HG1 VAL 74 7.034 -3.636 3.385 589 HG12 VAL 74 2HG1 VAL 74 7.805 -5.158 3.833 590 HG13 VAL 74 3HG1 VAL 74 8.077 -3.717 4.808 591 HG21 VAL 74 3HG2 VAL 74 6.262 -2.815 6.314 592 HG22 VAL 74 1HG2 VAL 74 4.689 -3.615 6.411 593 HG23 VAL 74 2HG2 VAL 74 5.121 -2.684 4.974 594 H ILE 75 H ILE 75 5.400 -5.813 1.857 595 HA ILE 75 HA ILE 75 6.842 -8.366 2.098 596 HB ILE 75 HB ILE 75 5.511 -7.083 -0.348 597 HG12 ILE 75 1HG1 ILE 75 4.091 -9.264 -0.282 598 HG13 ILE 75 2HG1 ILE 75 4.689 -9.480 1.354 599 HG21 ILE 75 1HG2 ILE 75 7.026 -9.722 -0.218 600 HG22 ILE 75 2HG2 ILE 75 7.544 -8.257 -1.054 601 HG23 ILE 75 3HG2 ILE 75 6.118 -9.127 -1.614 602 HD11 ILE 75 3HD1 ILE 75 3.609 -7.365 2.000 603 HD12 ILE 75 1HD1 ILE 75 2.466 -8.530 1.333 604 HD13 ILE 75 2HD1 ILE 75 3.014 -7.175 0.349 605 H LEU 76 H LEU 76 8.968 -8.006 2.216 606 HA LEU 76 HA LEU 76 10.336 -5.640 1.634 607 HG LEU 76 HG LEU 76 10.446 -7.519 4.097 608 HB2 LEU 76 1HB LEU 76 11.321 -8.491 1.994 609 HB3 LEU 76 2HB LEU 76 12.414 -7.129 1.806 610 HD11 LEU 76 1HD1 LEU 76 12.448 -7.802 5.495 611 HD12 LEU 76 2HD1 LEU 76 13.476 -7.698 4.062 612 HD13 LEU 76 3HD1 LEU 76 12.344 -9.042 4.246 613 HD21 LEU 76 3HD2 LEU 76 11.483 -5.507 5.090 614 HD22 LEU 76 1HD2 LEU 76 10.664 -5.143 3.573 615 HD23 LEU 76 2HD2 LEU 76 12.426 -5.261 3.616 616 HA PRO 77 HA PRO 77 11.009 -5.561 -2.730 617 HB2 PRO 77 1HB PRO 77 13.589 -4.629 -2.975 618 HB3 PRO 77 2HB PRO 77 12.241 -3.613 -2.473 619 HG2 PRO 77 1HG PRO 77 14.276 -5.016 -0.756 620 HG3 PRO 77 2HG PRO 77 13.709 -3.332 -0.661 621 HD2 PRO 77 1HD PRO 77 12.745 -5.217 0.995 622 HD3 PRO 77 2HD PRO 77 11.678 -3.951 0.353 623 H LYS 78 H LYS 78 12.349 -6.360 -4.515 624 HA LYS 78 HA LYS 78 13.151 -9.122 -4.185 625 HB2 LYS 78 1HB LYS 78 13.528 -8.885 -6.758 626 HB3 LYS 78 2HB LYS 78 11.895 -8.761 -6.133 627 HG2 LYS 78 1HG LYS 78 12.127 -7.092 -7.823 628 HG3 LYS 78 2HG LYS 78 12.090 -6.254 -6.276 629 HD2 LYS 78 1HD LYS 78 13.768 -5.235 -7.698 630 HD3 LYS 78 2HD LYS 78 14.574 -6.056 -6.359 631 HE2 LYS 78 1HE LYS 78 14.865 -8.042 -7.998 632 HE3 LYS 78 2HE LYS 78 14.423 -6.893 -9.266 633 HZ1 LYS 78 3HZ LYS 78 16.278 -5.488 -8.453 634 HZ2 LYS 78 1HZ LYS 78 16.763 -6.968 -9.102 635 HZ3 LYS 78 2HZ LYS 78 16.739 -6.747 -7.429 636 H GLU 79 H GLU 79 14.888 -7.304 -2.819 637 HA GLU 79 HA GLU 79 17.532 -7.824 -3.822 638 HB2 GLU 79 1HB GLU 79 18.109 -5.364 -4.012 639 HB3 GLU 79 2HB GLU 79 16.974 -5.925 -5.239 640 HG2 GLU 79 1HG GLU 79 15.101 -5.045 -3.769 641 HG3 GLU 79 2HG GLU 79 16.336 -4.282 -2.769 642 H ALA 80 H ALA 80 15.480 -7.698 -1.360 643 HA ALA 80 HA ALA 80 16.753 -6.046 0.623 644 HB1 ALA 80 3HB ALA 80 14.327 -6.516 0.685 645 HB2 ALA 80 1HB ALA 80 15.115 -7.015 2.182 646 HB3 ALA 80 2HB ALA 80 14.660 -8.223 0.974 Start of MODEL 2 1 H MET 1 H MET 1 -9.552 -6.530 3.706 2 HA MET 1 HA MET 1 -8.897 -4.471 2.759 3 HB2 MET 1 1HB MET 1 -10.706 -3.091 3.758 4 HB3 MET 1 2HB MET 1 -9.957 -3.240 5.340 5 HG2 MET 1 1HG MET 1 -7.983 -1.994 4.489 6 HG3 MET 1 2HG MET 1 -8.800 -1.805 2.938 7 HE1 MET 1 3HE MET 1 -10.365 0.108 6.861 8 HE2 MET 1 1HE MET 1 -8.923 -0.905 6.794 9 HE3 MET 1 2HE MET 1 -10.516 -1.616 6.531 10 H SER 2 H SER 2 -7.053 -5.790 2.982 11 HA SER 2 HA SER 2 -5.259 -5.074 5.222 12 HG SER 2 HG SER 2 -6.608 -7.815 3.454 13 HB2 SER 2 1HB SER 2 -4.268 -7.406 5.013 14 HB3 SER 2 2HB SER 2 -5.907 -7.376 5.657 15 H ALA 3 H ALA 3 -3.382 -4.186 4.483 16 HA ALA 3 HA ALA 3 -3.175 -3.909 1.536 17 HB1 ALA 3 3HB ALA 3 -2.335 -2.001 3.744 18 HB2 ALA 3 1HB ALA 3 -3.728 -1.836 2.662 19 HB3 ALA 3 2HB ALA 3 -2.090 -1.742 2.017 20 H LYS 4 H LYS 4 -1.290 -4.377 0.552 21 HA LYS 4 HA LYS 4 1.003 -5.278 2.187 22 HB2 LYS 4 1HB LYS 4 1.645 -6.722 0.261 23 HB3 LYS 4 2HB LYS 4 0.093 -7.171 0.949 24 HG2 LYS 4 1HG LYS 4 -1.062 -6.039 -0.923 25 HG3 LYS 4 2HG LYS 4 0.498 -5.594 -1.611 26 HD2 LYS 4 1HD LYS 4 -0.388 -7.532 -2.782 27 HD3 LYS 4 2HD LYS 4 1.049 -8.012 -1.877 28 HE2 LYS 4 1HE LYS 4 -0.342 -9.048 -0.151 29 HE3 LYS 4 2HE LYS 4 -1.810 -8.455 -0.931 30 HZ1 LYS 4 3HZ LYS 4 -1.403 -10.766 -1.433 31 HZ2 LYS 4 1HZ LYS 4 0.098 -10.394 -2.110 32 HZ3 LYS 4 2HZ LYS 4 -1.323 -9.834 -2.837 33 H ILE 5 H ILE 5 2.738 -4.016 2.018 34 HA ILE 5 HA ILE 5 2.906 -2.035 -0.185 35 HB ILE 5 HB ILE 5 4.215 -1.795 2.570 36 HG12 ILE 5 1HG1 ILE 5 2.654 0.393 2.536 37 HG13 ILE 5 2HG1 ILE 5 1.697 -0.565 1.417 38 HG21 ILE 5 1HG2 ILE 5 4.271 0.133 0.208 39 HG22 ILE 5 2HG2 ILE 5 5.628 -0.829 0.805 40 HG23 ILE 5 3HG2 ILE 5 4.947 0.452 1.810 41 HD11 ILE 5 3HD1 ILE 5 1.444 -2.286 3.127 42 HD12 ILE 5 1HD1 ILE 5 0.842 -0.711 3.642 43 HD13 ILE 5 2HD1 ILE 5 2.395 -1.292 4.239 44 H TYR 6 H TYR 6 4.478 -2.371 -1.555 45 HA TYR 6 HA TYR 6 6.917 -3.831 -0.900 46 HD1 TYR 6 HD1 TYR 6 3.026 -5.093 -1.767 47 HD2 TYR 6 HD2 TYR 6 5.746 -4.709 -5.063 48 HE1 TYR 6 HE1 TYR 6 1.130 -4.960 -3.319 49 HE2 TYR 6 HE2 TYR 6 3.839 -4.577 -6.601 50 HH TYR 6 HH TYR 6 0.606 -4.145 -5.544 51 HB2 TYR 6 1HB TYR 6 6.569 -5.432 -2.828 52 HB3 TYR 6 2HB TYR 6 5.444 -5.698 -1.503 53 H ARG 7 H ARG 7 8.346 -3.830 -2.895 54 HA ARG 7 HA ARG 7 7.705 -1.564 -4.689 55 HE ARG 7 HE ARG 7 12.539 -1.411 -5.629 56 HB2 ARG 7 1HB ARG 7 9.843 -1.508 -3.106 57 HB3 ARG 7 2HB ARG 7 10.538 -2.582 -4.319 58 HG2 ARG 7 1HG ARG 7 10.220 -0.898 -6.065 59 HG3 ARG 7 2HG ARG 7 9.331 0.131 -4.942 60 HD2 ARG 7 1HD ARG 7 11.444 1.097 -5.027 61 HD3 ARG 7 2HD ARG 7 11.489 0.173 -3.533 62 HH11 ARG 7 1HH1 ARG 7 13.400 1.416 -3.696 63 HH12 ARG 7 2HH1 ARG 7 15.097 1.238 -3.993 64 HH21 ARG 7 1HH2 ARG 7 14.763 -1.552 -6.050 65 HH22 ARG 7 2HH2 ARG 7 15.871 -0.441 -5.315 66 HA PRO 8 HA PRO 8 7.236 -4.975 -7.628 67 HB2 PRO 8 1HB PRO 8 7.018 -3.379 -9.890 68 HB3 PRO 8 2HB PRO 8 5.678 -3.755 -8.810 69 HG2 PRO 8 1HG PRO 8 7.438 -1.307 -8.870 70 HG3 PRO 8 2HG PRO 8 5.673 -1.411 -8.691 71 HD2 PRO 8 1HD PRO 8 7.244 -1.032 -6.549 72 HD3 PRO 8 2HD PRO 8 5.815 -2.078 -6.436 73 H ALA 9 H ALA 9 9.331 -5.767 -7.312 74 HA ALA 9 HA ALA 9 11.420 -5.062 -9.240 75 HB1 ALA 9 3HB ALA 9 12.691 -6.857 -8.134 76 HB2 ALA 9 1HB ALA 9 11.275 -7.257 -7.159 77 HB3 ALA 9 2HB ALA 9 12.069 -5.695 -6.962 78 H LYS 10 H LYS 10 8.610 -6.900 -9.043 79 HA LYS 10 HA LYS 10 9.227 -8.519 -11.424 80 HB2 LYS 10 1HB LYS 10 6.876 -9.522 -10.855 81 HB3 LYS 10 2HB LYS 10 8.244 -9.965 -9.852 82 HG2 LYS 10 1HG LYS 10 6.315 -9.579 -8.447 83 HG3 LYS 10 2HG LYS 10 7.525 -8.330 -8.138 84 HD2 LYS 10 1HD LYS 10 6.199 -6.813 -9.685 85 HD3 LYS 10 2HD LYS 10 4.936 -8.050 -9.717 86 HE2 LYS 10 1HE LYS 10 5.988 -6.717 -7.211 87 HE3 LYS 10 2HE LYS 10 4.545 -6.195 -8.079 88 HZ1 LYS 10 3HZ LYS 10 3.508 -8.300 -7.617 89 HZ2 LYS 10 1HZ LYS 10 4.057 -7.628 -6.169 90 HZ3 LYS 10 2HZ LYS 10 4.913 -8.891 -6.892 91 H THR 11 H THR 11 9.077 -5.720 -11.673 92 HA THR 11 HA THR 11 6.725 -4.387 -11.636 93 HB THR 11 HB THR 11 8.789 -3.673 -13.763 94 HG1 THR 11 HG1 THR 11 10.216 -3.912 -12.220 95 HG21 THR 11 3HG2 THR 11 8.339 -1.368 -12.992 96 HG22 THR 11 1HG2 THR 11 7.244 -1.971 -11.746 97 HG23 THR 11 2HG2 THR 11 6.828 -2.151 -13.455 98 H ALA 12 H ALA 12 4.956 -4.174 -12.854 99 HA ALA 12 HA ALA 12 4.203 -5.807 -14.972 100 HB1 ALA 12 3HB ALA 12 3.127 -3.058 -14.245 101 HB2 ALA 12 1HB ALA 12 2.601 -4.594 -13.556 102 HB3 ALA 12 2HB ALA 12 2.304 -4.247 -15.258 103 H MET 13 H MET 13 4.061 -5.481 -17.215 104 HA MET 13 HA MET 13 6.351 -4.386 -18.417 105 HB2 MET 13 1HB MET 13 3.734 -5.195 -19.759 106 HB3 MET 13 2HB MET 13 5.274 -4.966 -20.580 107 HG2 MET 13 1HG MET 13 6.226 -6.848 -19.286 108 HG3 MET 13 2HG MET 13 4.665 -7.086 -18.503 109 HE1 MET 13 3HE MET 13 5.464 -6.222 -22.310 110 HE2 MET 13 1HE MET 13 5.471 -7.846 -22.998 111 HE3 MET 13 2HE MET 13 6.714 -7.374 -21.841 112 H GLN 14 H GLN 14 6.820 -2.326 -18.684 113 HA GLN 14 HA GLN 14 4.996 -0.151 -18.518 114 HB2 GLN 14 1HB GLN 14 7.897 -0.206 -19.476 115 HB3 GLN 14 2HB GLN 14 6.994 1.244 -19.054 116 HG2 GLN 14 1HG GLN 14 7.723 -0.994 -17.130 117 HG3 GLN 14 2HG GLN 14 8.565 0.547 -17.276 118 HE21 GLN 14 2HE2 GLN 14 5.669 -1.039 -16.146 119 HE22 GLN 14 1HE2 GLN 14 5.088 0.267 -15.179 120 H SER 15 H SER 15 3.457 -0.637 -20.161 121 HA SER 15 HA SER 15 4.235 -0.758 -22.963 122 HG SER 15 HG SER 15 2.280 -0.832 -24.273 123 HB2 SER 15 1HB SER 15 2.451 -2.247 -22.057 124 HB3 SER 15 2HB SER 15 1.469 -0.836 -21.670 125 H GLY 16 H GLY 16 1.704 1.162 -21.287 126 HA2 GLY 16 1HA GLY 16 2.221 3.472 -23.076 127 HA3 GLY 16 2HA GLY 16 0.769 3.179 -22.125 128 H THR 17 H THR 17 3.888 2.710 -20.698 129 HA THR 17 HA THR 17 4.063 5.329 -19.464 130 HB THR 17 HB THR 17 2.447 4.183 -17.961 131 HG1 THR 17 HG1 THR 17 3.445 5.264 -16.464 132 HG21 THR 17 3HG2 THR 17 3.104 1.832 -18.325 133 HG22 THR 17 1HG2 THR 17 3.124 2.230 -16.607 134 HG23 THR 17 2HG2 THR 17 4.640 2.122 -17.504 135 H ALA 18 H ALA 18 5.984 5.343 -17.935 136 HA ALA 18 HA ALA 18 8.065 3.350 -18.289 137 HB1 ALA 18 3HB ALA 18 8.468 6.174 -19.372 138 HB2 ALA 18 1HB ALA 18 8.352 4.702 -20.344 139 HB3 ALA 18 2HB ALA 18 9.718 4.932 -19.252 140 H LYS 19 H LYS 19 6.490 4.400 -16.114 141 HA LYS 19 HA LYS 19 7.888 6.398 -14.624 142 HB2 LYS 19 1HB LYS 19 5.816 4.362 -13.700 143 HB3 LYS 19 2HB LYS 19 6.427 5.676 -12.699 144 HG2 LYS 19 1HG LYS 19 4.849 5.967 -15.267 145 HG3 LYS 19 2HG LYS 19 4.234 6.209 -13.630 146 HD2 LYS 19 1HD LYS 19 6.414 7.854 -14.968 147 HD3 LYS 19 2HD LYS 19 4.730 8.344 -14.789 148 HE2 LYS 19 1HE LYS 19 6.685 7.843 -12.515 149 HE3 LYS 19 2HE LYS 19 6.176 9.422 -13.111 150 HZ1 LYS 19 3HZ LYS 19 4.389 7.394 -11.880 151 HZ2 LYS 19 1HZ LYS 19 3.921 8.919 -12.439 152 HZ3 LYS 19 2HZ LYS 19 4.971 8.788 -11.121 153 H THR 20 H THR 20 9.310 6.243 -12.965 154 HA THR 20 HA THR 20 11.065 4.013 -12.772 155 HB THR 20 HB THR 20 12.088 5.333 -10.864 156 HG1 THR 20 HG1 THR 20 10.844 6.741 -9.925 157 HG21 THR 20 3HG2 THR 20 12.821 5.753 -13.189 158 HG22 THR 20 1HG2 THR 20 12.851 7.236 -12.231 159 HG23 THR 20 2HG2 THR 20 11.540 6.954 -13.379 160 H ASN 21 H ASN 21 11.518 2.788 -10.785 161 HA ASN 21 HA ASN 21 9.060 1.544 -9.967 162 HB2 ASN 21 1HB ASN 21 11.918 0.854 -9.217 163 HB3 ASN 21 2HB ASN 21 10.503 -0.145 -8.890 164 HD21 ASN 21 2HD2 ASN 21 10.617 -1.830 -10.203 165 HD22 ASN 21 1HD2 ASN 21 10.979 -1.800 -11.887 166 H VAL 22 H VAL 22 7.968 2.726 -8.600 167 HA VAL 22 HA VAL 22 9.089 3.622 -6.019 168 HB VAL 22 HB VAL 22 6.890 4.762 -5.703 169 HG11 VAL 22 1HG1 VAL 22 7.177 6.511 -7.423 170 HG12 VAL 22 2HG1 VAL 22 8.234 5.437 -8.345 171 HG13 VAL 22 3HG1 VAL 22 8.728 6.005 -6.748 172 HG21 VAL 22 3HG2 VAL 22 5.437 3.249 -7.000 173 HG22 VAL 22 1HG2 VAL 22 6.221 3.749 -8.502 174 HG23 VAL 22 2HG2 VAL 22 5.263 4.906 -7.572 175 H TRP 23 H TRP 23 6.960 3.315 -4.336 176 HA TRP 23 HA TRP 23 6.841 0.396 -3.996 177 HD1 TRP 23 HD1 TRP 23 9.070 3.189 -2.782 178 HE1 TRP 23 HE1 TRP 23 11.189 2.261 -1.687 179 HE3 TRP 23 HE3 TRP 23 7.064 -0.896 -0.437 180 HZ2 TRP 23 HZ2 TRP 23 11.942 0.071 -0.042 181 HZ3 TRP 23 HZ3 TRP 23 8.545 -2.361 0.872 182 HH2 TRP 23 HH2 TRP 23 10.934 -1.892 1.074 183 HB2 TRP 23 1HB TRP 23 6.356 2.677 -2.031 184 HB3 TRP 23 2HB TRP 23 6.058 0.982 -1.645 185 H VAL 24 H VAL 24 4.938 -0.680 -4.208 186 HA VAL 24 HA VAL 24 2.490 0.886 -4.744 187 HB VAL 24 HB VAL 24 3.062 -2.047 -5.397 188 HG11 VAL 24 1HG1 VAL 24 0.662 -0.335 -6.148 189 HG12 VAL 24 2HG1 VAL 24 0.653 -1.681 -5.005 190 HG13 VAL 24 3HG1 VAL 24 0.967 -1.979 -6.717 191 HG21 VAL 24 3HG2 VAL 24 3.169 -1.321 -7.749 192 HG22 VAL 24 1HG2 VAL 24 4.399 -0.500 -6.787 193 HG23 VAL 24 2HG2 VAL 24 2.929 0.356 -7.256 194 H LEU 25 H LEU 25 0.726 0.647 -3.544 195 HA LEU 25 HA LEU 25 0.675 -1.081 -1.158 196 HG LEU 25 HG LEU 25 -0.345 0.091 1.005 197 HB2 LEU 25 1HB LEU 25 0.764 1.460 -0.819 198 HB3 LEU 25 2HB LEU 25 -0.783 1.573 -1.636 199 HD11 LEU 25 1HD1 LEU 25 0.058 2.491 1.269 200 HD12 LEU 25 2HD1 LEU 25 -1.413 1.992 2.092 201 HD13 LEU 25 3HD1 LEU 25 -1.518 2.851 0.550 202 HD21 LEU 25 3HD2 LEU 25 -2.801 0.193 1.230 203 HD22 LEU 25 1HD2 LEU 25 -2.312 -0.747 -0.175 204 HD23 LEU 25 2HD2 LEU 25 -2.922 0.895 -0.387 205 H GLU 26 H GLU 26 -0.543 -2.778 -1.739 206 HA GLU 26 HA GLU 26 -2.974 -2.340 -3.403 207 HB2 GLU 26 1HB GLU 26 -1.053 -3.603 -4.550 208 HB3 GLU 26 2HB GLU 26 -1.331 -4.915 -3.407 209 HG2 GLU 26 1HG GLU 26 -3.651 -5.148 -4.248 210 HG3 GLU 26 2HG GLU 26 -3.379 -3.814 -5.369 211 H PHE 27 H PHE 27 -4.858 -3.065 -2.544 212 HA PHE 27 HA PHE 27 -4.880 -5.027 -0.397 213 HD1 PHE 27 HD2 PHE 27 -4.517 -0.899 -0.717 214 HD2 PHE 27 HD1 PHE 27 -8.188 -2.415 0.850 215 HE1 PHE 27 HE2 PHE 27 -5.595 1.267 -1.137 216 HE2 PHE 27 HE1 PHE 27 -9.258 -0.255 0.424 217 HZ PHE 27 HZ PHE 27 -7.970 1.598 -0.564 218 HB2 PHE 27 1HB PHE 27 -6.181 -3.660 1.162 219 HB3 PHE 27 2HB PHE 27 -4.624 -2.927 0.844 220 H ASP 28 H ASP 28 -6.968 -5.869 0.093 221 HA ASP 28 HA ASP 28 -8.839 -5.902 -2.133 222 HB2 ASP 28 1HB ASP 28 -10.249 -7.361 -0.770 223 HB3 ASP 28 2HB ASP 28 -8.589 -7.924 -0.735 224 H ALA 29 H ALA 29 -10.544 -4.532 -2.406 225 HA ALA 29 HA ALA 29 -10.064 -1.985 -1.372 226 HB1 ALA 29 3HB ALA 29 -11.913 -1.217 -2.759 227 HB2 ALA 29 1HB ALA 29 -12.484 -2.875 -2.956 228 HB3 ALA 29 2HB ALA 29 -10.927 -2.393 -3.634 229 H GLU 30 H GLU 30 -11.310 -0.522 -0.250 230 HA GLU 30 HA GLU 30 -13.194 -1.597 1.749 231 HB2 GLU 30 1HB GLU 30 -12.739 0.711 2.865 232 HB3 GLU 30 2HB GLU 30 -11.468 -0.495 2.900 233 HG2 GLU 30 1HG GLU 30 -10.370 1.536 2.431 234 HG3 GLU 30 2HG GLU 30 -10.424 0.674 0.906 235 H VAL 31 H VAL 31 -13.577 -0.666 -1.225 236 HA VAL 31 HA VAL 31 -15.390 1.498 -1.163 237 HB VAL 31 HB VAL 31 -14.313 0.861 -3.285 238 HG11 VAL 31 1HG1 VAL 31 -15.940 -1.709 -3.249 239 HG12 VAL 31 2HG1 VAL 31 -14.199 -1.591 -3.015 240 HG13 VAL 31 3HG1 VAL 31 -14.905 -1.160 -4.573 241 HG21 VAL 31 3HG2 VAL 31 -16.278 0.968 -4.805 242 HG22 VAL 31 1HG2 VAL 31 -16.454 2.070 -3.432 243 HG23 VAL 31 2HG2 VAL 31 -17.336 0.542 -3.457 244 HA PRO 32 HA PRO 32 -18.527 -0.903 1.008 245 HB2 PRO 32 1HB PRO 32 -20.357 1.040 1.439 246 HB3 PRO 32 2HB PRO 32 -18.767 1.089 2.218 247 HG2 PRO 32 1HG PRO 32 -19.697 2.540 -0.265 248 HG3 PRO 32 2HG PRO 32 -18.817 3.187 1.137 249 HD2 PRO 32 1HD PRO 32 -17.555 2.457 -1.188 250 HD3 PRO 32 2HD PRO 32 -16.775 2.346 0.405 251 H ARG 33 H ARG 33 -21.176 -0.808 0.896 252 HA ARG 33 HA ARG 33 -22.158 -1.858 -1.502 253 HE ARG 33 HE ARG 33 -26.171 -0.455 -0.031 254 HB2 ARG 33 1HB ARG 33 -24.432 -1.330 -0.583 255 HB3 ARG 33 2HB ARG 33 -23.390 -2.118 0.599 256 HG2 ARG 33 1HG ARG 33 -22.994 -0.047 1.769 257 HG3 ARG 33 2HG ARG 33 -23.763 0.897 0.494 258 HD2 ARG 33 1HD ARG 33 -25.177 -1.076 2.316 259 HD3 ARG 33 2HD ARG 33 -25.183 0.685 2.480 260 HH11 ARG 33 1HH1 ARG 33 -26.967 1.112 3.016 261 HH12 ARG 33 2HH1 ARG 33 -28.574 1.517 2.521 262 HH21 ARG 33 1HH2 ARG 33 -28.278 0.108 -0.666 263 HH22 ARG 33 2HH2 ARG 33 -29.316 0.950 0.441 264 H LYS 34 H LYS 34 -21.685 1.429 -0.479 265 HA LYS 34 HA LYS 34 -23.284 2.723 -2.473 266 HB2 LYS 34 1HB LYS 34 -22.766 3.674 -0.186 267 HB3 LYS 34 2HB LYS 34 -21.091 3.855 -0.683 268 HG2 LYS 34 1HG LYS 34 -22.153 5.994 -0.858 269 HG3 LYS 34 2HG LYS 34 -21.849 5.409 -2.498 270 HD2 LYS 34 1HD LYS 34 -24.214 4.678 -2.669 271 HD3 LYS 34 2HD LYS 34 -24.517 5.261 -1.027 272 HE2 LYS 34 1HE LYS 34 -23.708 6.967 -3.416 273 HE3 LYS 34 2HE LYS 34 -25.315 6.883 -2.691 274 HZ1 LYS 34 3HZ LYS 34 -24.326 7.761 -0.621 275 HZ2 LYS 34 1HZ LYS 34 -24.187 8.833 -1.920 276 HZ3 LYS 34 2HZ LYS 34 -22.844 7.940 -1.415 277 H ILE 35 H ILE 35 -22.351 1.498 -4.279 278 HA ILE 35 HA ILE 35 -19.839 2.615 -5.351 279 HB ILE 35 HB ILE 35 -21.640 0.389 -6.434 280 HG12 ILE 35 1HG1 ILE 35 -18.871 0.265 -5.143 281 HG13 ILE 35 2HG1 ILE 35 -20.374 -0.280 -4.407 282 HG21 ILE 35 1HG2 ILE 35 -19.884 -0.028 -8.144 283 HG22 ILE 35 2HG2 ILE 35 -18.996 1.385 -7.567 284 HG23 ILE 35 3HG2 ILE 35 -20.584 1.586 -8.309 285 HD11 ILE 35 3HD1 ILE 35 -19.037 -1.487 -6.831 286 HD12 ILE 35 1HD1 ILE 35 -20.555 -2.040 -6.113 287 HD13 ILE 35 2HD1 ILE 35 -19.052 -2.145 -5.197 288 H ASP 36 H ASP 36 -19.865 3.933 -7.129 289 HA ASP 36 HA ASP 36 -21.894 5.805 -7.388 290 HB2 ASP 36 1HB ASP 36 -19.659 5.147 -9.349 291 HB3 ASP 36 2HB ASP 36 -20.599 6.641 -9.341 292 HA PRO 37 HA PRO 37 -24.838 3.628 -10.130 293 HB2 PRO 37 1HB PRO 37 -26.307 5.929 -10.764 294 HB3 PRO 37 2HB PRO 37 -26.583 4.915 -9.344 295 HG2 PRO 37 1HG PRO 37 -24.995 7.466 -9.576 296 HG3 PRO 37 2HG PRO 37 -26.130 6.964 -8.304 297 HD2 PRO 37 1HD PRO 37 -23.492 6.793 -7.909 298 HD3 PRO 37 2HD PRO 37 -24.569 5.509 -7.310 299 H ILE 38 H ILE 38 -22.798 6.309 -10.919 300 HA ILE 38 HA ILE 38 -23.046 6.530 -13.699 301 HB ILE 38 HB ILE 38 -20.543 6.833 -11.968 302 HG12 ILE 38 1HG1 ILE 38 -22.450 8.268 -11.225 303 HG13 ILE 38 2HG1 ILE 38 -21.092 9.218 -11.811 304 HG21 ILE 38 1HG2 ILE 38 -19.690 8.337 -13.758 305 HG22 ILE 38 2HG2 ILE 38 -21.077 7.914 -14.764 306 HG23 ILE 38 3HG2 ILE 38 -19.898 6.679 -14.320 307 HD11 ILE 38 3HD1 ILE 38 -23.250 10.120 -12.512 308 HD12 ILE 38 1HD1 ILE 38 -23.611 8.626 -13.373 309 HD13 ILE 38 2HD1 ILE 38 -22.270 9.650 -13.897 310 H MET 39 H MET 39 -20.878 4.435 -11.755 311 HA MET 39 HA MET 39 -19.989 2.848 -14.010 312 HB2 MET 39 1HB MET 39 -19.679 2.465 -10.997 313 HB3 MET 39 2HB MET 39 -18.998 1.360 -12.187 314 HG2 MET 39 1HG MET 39 -17.644 3.223 -13.108 315 HG3 MET 39 2HG MET 39 -18.291 4.283 -11.853 316 HE1 MET 39 3HE MET 39 -14.512 3.565 -10.800 317 HE2 MET 39 1HE MET 39 -15.668 4.832 -11.204 318 HE3 MET 39 2HE MET 39 -15.139 3.694 -12.443 319 H GLY 40 H GLY 40 -22.403 2.588 -11.480 320 HA2 GLY 40 1HA GLY 40 -24.313 1.081 -12.670 321 HA3 GLY 40 2HA GLY 40 -23.194 -0.132 -12.047 322 H TYR 41 H TYR 41 -25.995 1.315 -11.275 323 HA TYR 41 HA TYR 41 -25.601 1.997 -8.505 324 HD1 TYR 41 HD1 TYR 41 -27.038 3.960 -7.494 325 HD2 TYR 41 HD2 TYR 41 -29.862 0.881 -8.412 326 HE1 TYR 41 HE1 TYR 41 -28.283 4.486 -5.442 327 HE2 TYR 41 HE2 TYR 41 -31.106 1.413 -6.365 328 HH TYR 41 HH TYR 41 -30.613 4.215 -4.558 329 HB2 TYR 41 1HB TYR 41 -27.413 2.996 -9.921 330 HB3 TYR 41 2HB TYR 41 -28.191 1.420 -10.022 331 H THR 42 H THR 42 -24.662 0.255 -7.497 332 HA THR 42 HA THR 42 -25.687 -2.449 -7.828 333 HB THR 42 HB THR 42 -23.753 -3.115 -6.405 334 HG1 THR 42 HG1 THR 42 -23.841 -0.609 -5.576 335 HG21 THR 42 3HG2 THR 42 -22.961 -1.186 -8.622 336 HG22 THR 42 1HG2 THR 42 -23.372 -2.892 -8.839 337 HG23 THR 42 2HG2 THR 42 -21.933 -2.438 -7.925 338 H SER 43 H SER 43 -26.909 -3.546 -6.389 339 HA SER 43 HA SER 43 -27.693 -2.565 -3.806 340 HG SER 43 HG SER 43 -29.094 -3.320 -5.781 341 HB2 SER 43 1HB SER 43 -27.806 -5.401 -4.940 342 HB3 SER 43 2HB SER 43 -28.667 -4.831 -3.509 343 H SER 44 H SER 44 -25.163 -4.568 -5.125 344 HA SER 44 HA SER 44 -23.229 -5.398 -4.428 345 HG SER 44 HG SER 44 -21.886 -5.025 -1.580 346 HB2 SER 44 1HB SER 44 -22.783 -3.155 -3.494 347 HB3 SER 44 2HB SER 44 -23.538 -3.631 -1.977 348 H SER 45 H SER 45 -24.311 -7.404 -4.350 349 HA SER 45 HA SER 45 -24.630 -8.634 -1.690 350 HG SER 45 HG SER 45 -25.647 -10.753 -1.861 351 HB2 SER 45 1HB SER 45 -26.335 -9.128 -3.470 352 HB3 SER 45 2HB SER 45 -25.065 -9.827 -4.476 353 H ASP 46 H ASP 46 -22.293 -8.065 -4.063 354 HA ASP 46 HA ASP 46 -20.681 -10.478 -3.550 355 HB2 ASP 46 1HB ASP 46 -20.448 -8.310 -5.685 356 HB3 ASP 46 2HB ASP 46 -19.386 -9.714 -5.558 357 H MET 47 H MET 47 -18.286 -10.082 -3.476 358 HA MET 47 HA MET 47 -17.683 -8.087 -1.426 359 HB2 MET 47 1HB MET 47 -16.219 -10.533 -2.461 360 HB3 MET 47 2HB MET 47 -15.402 -9.358 -1.435 361 HG2 MET 47 1HG MET 47 -16.242 -11.248 -0.134 362 HG3 MET 47 2HG MET 47 -17.013 -9.742 0.353 363 HE1 MET 47 3HE MET 47 -19.910 -12.315 0.922 364 HE2 MET 47 1HE MET 47 -18.910 -11.054 1.649 365 HE3 MET 47 2HE MET 47 -18.194 -12.606 1.209 366 H LYS 48 H LYS 48 -15.213 -7.362 -1.628 367 HA LYS 48 HA LYS 48 -15.362 -5.434 -3.827 368 HB2 LYS 48 1HB LYS 48 -13.694 -5.419 -1.271 369 HB3 LYS 48 2HB LYS 48 -13.729 -4.122 -2.457 370 HG2 LYS 48 1HG LYS 48 -15.112 -3.370 -0.716 371 HG3 LYS 48 2HG LYS 48 -16.236 -3.923 -1.954 372 HD2 LYS 48 1HD LYS 48 -17.029 -4.635 0.235 373 HD3 LYS 48 2HD LYS 48 -16.542 -6.055 -0.691 374 HE2 LYS 48 1HE LYS 48 -15.795 -6.230 1.645 375 HE3 LYS 48 2HE LYS 48 -14.416 -6.141 0.551 376 HZ1 LYS 48 3HZ LYS 48 -14.091 -4.755 2.485 377 HZ2 LYS 48 1HZ LYS 48 -15.503 -3.891 2.153 378 HZ3 LYS 48 2HZ LYS 48 -14.190 -3.798 1.096 379 H GLN 49 H GLN 49 -13.952 -5.427 -5.462 380 HA GLN 49 HA GLN 49 -11.980 -7.445 -5.875 381 HB2 GLN 49 1HB GLN 49 -11.568 -6.288 -7.991 382 HB3 GLN 49 2HB GLN 49 -13.300 -6.354 -7.687 383 HG2 GLN 49 1HG GLN 49 -13.113 -3.967 -6.803 384 HG3 GLN 49 2HG GLN 49 -11.463 -3.960 -7.432 385 HE21 GLN 49 2HE2 GLN 49 -14.860 -4.042 -8.293 386 HE22 GLN 49 1HE2 GLN 49 -14.652 -3.627 -9.957 387 H GLN 50 H GLN 50 -9.644 -6.667 -6.670 388 HA GLN 50 HA GLN 50 -8.469 -5.325 -4.376 389 HB2 GLN 50 1HB GLN 50 -6.264 -5.945 -5.381 390 HB3 GLN 50 2HB GLN 50 -7.318 -7.304 -5.049 391 HG2 GLN 50 1HG GLN 50 -6.275 -7.821 -7.092 392 HG3 GLN 50 2HG GLN 50 -7.900 -7.312 -7.525 393 HE21 GLN 50 2HE2 GLN 50 -4.534 -6.312 -7.431 394 HE22 GLN 50 1HE2 GLN 50 -4.653 -5.129 -8.682 395 H VAL 51 H VAL 51 -6.995 -3.679 -4.543 396 HA VAL 51 HA VAL 51 -7.143 -1.774 -6.779 397 HB VAL 51 HB VAL 51 -7.595 0.186 -5.221 398 HG11 VAL 51 1HG1 VAL 51 -9.869 -1.836 -5.440 399 HG12 VAL 51 2HG1 VAL 51 -9.398 -0.670 -6.680 400 HG13 VAL 51 3HG1 VAL 51 -10.053 -0.105 -5.143 401 HG21 VAL 51 3HG2 VAL 51 -8.402 -1.988 -3.247 402 HG22 VAL 51 1HG2 VAL 51 -8.695 -0.257 -3.042 403 HG23 VAL 51 2HG2 VAL 51 -7.044 -0.874 -3.074 404 H LYS 52 H LYS 52 -5.394 -0.294 -6.851 405 HA LYS 52 HA LYS 52 -3.214 -0.725 -4.925 406 HB2 LYS 52 1HB LYS 52 -1.588 -1.177 -6.741 407 HB3 LYS 52 2HB LYS 52 -2.822 -2.413 -6.609 408 HG2 LYS 52 1HG LYS 52 -2.959 -2.246 -8.868 409 HG3 LYS 52 2HG LYS 52 -3.940 -0.822 -8.545 410 HD2 LYS 52 1HD LYS 52 -2.299 -0.220 -10.203 411 HD3 LYS 52 2HD LYS 52 -1.846 0.577 -8.694 412 HE2 LYS 52 1HE LYS 52 -0.141 -1.134 -8.282 413 HE3 LYS 52 2HE LYS 52 -0.621 -1.996 -9.743 414 HZ1 LYS 52 3HZ LYS 52 0.496 0.754 -9.668 415 HZ2 LYS 52 1HZ LYS 52 0.072 -0.114 -11.053 416 HZ3 LYS 52 2HZ LYS 52 1.351 -0.644 -10.083 417 H LEU 53 H LEU 53 -1.960 0.936 -4.580 418 HA LEU 53 HA LEU 53 -2.265 3.485 -6.061 419 HG LEU 53 HG LEU 53 -4.369 4.210 -4.621 420 HB2 LEU 53 1HB LEU 53 -2.020 3.115 -3.031 421 HB3 LEU 53 2HB LEU 53 -1.944 4.661 -3.853 422 HD11 LEU 53 1HD1 LEU 53 -5.730 2.696 -3.244 423 HD12 LEU 53 2HD1 LEU 53 -4.272 2.100 -2.444 424 HD13 LEU 53 3HD1 LEU 53 -4.515 1.812 -4.165 425 HD21 LEU 53 3HD2 LEU 53 -5.329 5.042 -2.523 426 HD22 LEU 53 1HD2 LEU 53 -3.805 5.852 -2.885 427 HD23 LEU 53 2HD2 LEU 53 -3.862 4.588 -1.653 428 H THR 54 H THR 54 -0.258 4.788 -6.030 429 HA THR 54 HA THR 54 2.190 3.218 -5.389 430 HB THR 54 HB THR 54 3.236 4.585 -7.321 431 HG1 THR 54 HG1 THR 54 1.380 6.052 -7.440 432 HG21 THR 54 3HG2 THR 54 1.084 2.549 -8.002 433 HG22 THR 54 1HG2 THR 54 2.754 2.187 -7.549 434 HG23 THR 54 2HG2 THR 54 2.412 3.035 -9.057 435 H PHE 55 H PHE 55 3.498 4.123 -3.982 436 HA PHE 55 HA PHE 55 3.572 7.036 -3.482 437 HD1 PHE 55 HD1 PHE 55 1.571 3.883 -1.984 438 HD2 PHE 55 HD2 PHE 55 2.163 7.911 -0.666 439 HE1 PHE 55 HE1 PHE 55 -0.814 4.055 -1.428 440 HE2 PHE 55 HE2 PHE 55 -0.227 8.071 -0.115 441 HZ PHE 55 HZ PHE 55 -1.714 6.146 -0.495 442 HB2 PHE 55 1HB PHE 55 3.864 4.776 -1.429 443 HB3 PHE 55 2HB PHE 55 4.070 6.490 -1.089 444 H GLU 56 H GLU 56 5.717 7.817 -3.037 445 HA GLU 56 HA GLU 56 7.690 6.493 -4.641 446 HB2 GLU 56 1HB GLU 56 7.900 9.006 -2.952 447 HB3 GLU 56 2HB GLU 56 9.153 8.435 -4.049 448 HG2 GLU 56 1HG GLU 56 7.605 8.662 -5.950 449 HG3 GLU 56 2HG GLU 56 6.342 9.233 -4.855 450 H THR 57 H THR 57 7.042 6.499 -1.238 451 HA THR 57 HA THR 57 9.386 4.762 -0.759 452 HB THR 57 HB THR 57 9.640 5.798 1.539 453 HG1 THR 57 HG1 THR 57 8.708 8.033 1.627 454 HG21 THR 57 3HG2 THR 57 10.863 7.822 0.824 455 HG22 THR 57 1HG2 THR 57 10.089 7.743 -0.764 456 HG23 THR 57 2HG2 THR 57 11.203 6.473 -0.255 457 H GLN 58 H GLN 58 9.125 3.335 1.085 458 HA GLN 58 HA GLN 58 6.629 2.126 1.420 459 HB2 GLN 58 1HB GLN 58 8.839 1.050 1.937 460 HB3 GLN 58 2HB GLN 58 8.966 2.050 3.384 461 HG2 GLN 58 1HG GLN 58 6.851 0.995 4.233 462 HG3 GLN 58 2HG GLN 58 6.856 -0.064 2.824 463 HE21 GLN 58 2HE2 GLN 58 8.308 0.610 5.893 464 HE22 GLN 58 1HE2 GLN 58 9.255 -0.832 5.995 465 H GLU 59 H GLU 59 8.250 4.636 3.316 466 HA GLU 59 HA GLU 59 6.666 4.592 5.618 467 HB2 GLU 59 1HB GLU 59 8.181 6.950 4.444 468 HB3 GLU 59 2HB GLU 59 7.506 6.899 6.067 469 HG2 GLU 59 1HG GLU 59 9.841 6.491 6.264 470 HG3 GLU 59 2HG GLU 59 9.020 4.961 6.570 471 H GLN 60 H GLN 60 6.241 6.371 2.577 472 HA GLN 60 HA GLN 60 4.037 7.993 3.416 473 HB2 GLN 60 1HB GLN 60 4.961 7.136 0.645 474 HB3 GLN 60 2HB GLN 60 3.659 8.293 0.926 475 HG2 GLN 60 1HG GLN 60 5.252 9.785 2.093 476 HG3 GLN 60 2HG GLN 60 6.554 8.642 1.769 477 HE21 GLN 60 2HE2 GLN 60 7.299 8.407 -0.387 478 HE22 GLN 60 1HE2 GLN 60 6.966 9.610 -1.581 479 H ALA 61 H ALA 61 4.297 4.714 2.128 480 HA ALA 61 HA ALA 61 1.488 4.474 1.457 481 HB1 ALA 61 3HB ALA 61 3.217 3.349 0.123 482 HB2 ALA 61 1HB ALA 61 2.101 2.175 0.821 483 HB3 ALA 61 2HB ALA 61 3.708 2.395 1.525 484 H GLU 62 H GLU 62 3.660 3.339 4.004 485 HA GLU 62 HA GLU 62 1.691 1.759 5.333 486 HB2 GLU 62 1HB GLU 62 3.308 1.480 7.141 487 HB3 GLU 62 2HB GLU 62 4.068 1.228 5.574 488 HG2 GLU 62 1HG GLU 62 5.111 3.405 5.682 489 HG3 GLU 62 2HG GLU 62 4.276 3.785 7.186 490 H ALA 63 H ALA 63 2.952 5.066 5.874 491 HA ALA 63 HA ALA 63 1.412 5.691 8.145 492 HB1 ALA 63 3HB ALA 63 3.350 7.031 7.414 493 HB2 ALA 63 1HB ALA 63 1.916 8.040 7.629 494 HB3 ALA 63 2HB ALA 63 2.443 7.582 6.005 495 H TYR 64 H TYR 64 0.643 5.782 4.703 496 HA TYR 64 HA TYR 64 -1.790 7.261 4.859 497 HD1 TYR 64 HD1 TYR 64 -2.527 8.535 2.438 498 HD2 TYR 64 HD2 TYR 64 -2.953 4.309 1.926 499 HE1 TYR 64 HE1 TYR 64 -4.607 8.898 1.178 500 HE2 TYR 64 HE2 TYR 64 -5.029 4.669 0.664 501 HH TYR 64 HH TYR 64 -6.768 6.375 0.408 502 HB2 TYR 64 1HB TYR 64 -0.558 6.916 2.732 503 HB3 TYR 64 2HB TYR 64 -0.889 5.189 2.802 504 H ALA 65 H ALA 65 -1.101 3.764 4.695 505 HA ALA 65 HA ALA 65 -3.642 2.721 5.124 506 HB1 ALA 65 3HB ALA 65 -1.704 1.371 4.423 507 HB2 ALA 65 1HB ALA 65 -2.478 0.668 5.849 508 HB3 ALA 65 2HB ALA 65 -0.969 1.574 6.015 509 H GLN 66 H GLN 66 -1.180 3.676 7.516 510 HA GLN 66 HA GLN 66 -2.523 2.889 9.864 511 HB2 GLN 66 1HB GLN 66 -0.305 4.908 9.382 512 HB3 GLN 66 2HB GLN 66 -0.944 4.609 10.995 513 HG2 GLN 66 1HG GLN 66 -0.247 2.282 10.896 514 HG3 GLN 66 2HG GLN 66 0.278 2.472 9.228 515 HE21 GLN 66 2HE2 GLN 66 2.234 3.574 8.808 516 HE22 GLN 66 1HE2 GLN 66 3.395 3.882 10.043 517 H ARG 67 H ARG 67 -2.444 6.010 8.161 518 HA ARG 67 HA ARG 67 -4.015 7.627 9.799 519 HE ARG 67 HE ARG 67 -2.465 10.305 6.629 520 HB2 ARG 67 1HB ARG 67 -2.750 8.390 7.782 521 HB3 ARG 67 2HB ARG 67 -3.902 7.551 6.750 522 HG2 ARG 67 1HG ARG 67 -5.697 9.099 7.788 523 HG3 ARG 67 2HG ARG 67 -4.344 10.036 8.430 524 HD2 ARG 67 1HD ARG 67 -4.989 9.500 5.508 525 HD3 ARG 67 2HD ARG 67 -5.078 11.046 6.354 526 HH11 ARG 67 1HH1 ARG 67 -4.530 10.730 3.821 527 HH12 ARG 67 2HH1 ARG 67 -3.221 11.205 2.790 528 HH21 ARG 67 1HH2 ARG 67 -0.767 10.892 5.243 529 HH22 ARG 67 2HH2 ARG 67 -1.101 11.279 3.590 530 H LYS 68 H LYS 68 -4.918 5.165 7.457 531 HA LYS 68 HA LYS 68 -7.789 5.678 7.626 532 HB2 LYS 68 1HB LYS 68 -6.088 3.696 6.071 533 HB3 LYS 68 2HB LYS 68 -7.846 3.685 6.021 534 HG2 LYS 68 1HG LYS 68 -6.145 6.059 5.184 535 HG3 LYS 68 2HG LYS 68 -6.743 4.818 4.076 536 HD2 LYS 68 1HD LYS 68 -9.085 5.398 4.743 537 HD3 LYS 68 2HD LYS 68 -8.452 6.688 5.768 538 HE2 LYS 68 1HE LYS 68 -7.545 7.833 3.792 539 HE3 LYS 68 2HE LYS 68 -8.095 6.513 2.754 540 HZ1 LYS 68 3HZ LYS 68 -10.380 7.017 3.472 541 HZ2 LYS 68 1HZ LYS 68 -9.647 8.301 2.659 542 HZ3 LYS 68 2HZ LYS 68 -9.802 8.351 4.339 543 H GLY 69 H GLY 69 -5.388 3.702 9.181 544 HA2 GLY 69 1HA GLY 69 -5.729 2.369 11.062 545 HA3 GLY 69 2HA GLY 69 -7.413 2.133 10.613 546 H ILE 70 H ILE 70 -5.965 1.737 7.806 547 HA ILE 70 HA ILE 70 -6.600 -0.943 7.489 548 HB ILE 70 HB ILE 70 -4.462 0.470 5.815 549 HG12 ILE 70 1HG1 ILE 70 -7.479 0.338 5.355 550 HG13 ILE 70 2HG1 ILE 70 -6.595 1.768 5.866 551 HG21 ILE 70 1HG2 ILE 70 -4.478 -1.968 5.465 552 HG22 ILE 70 2HG2 ILE 70 -5.106 -1.146 4.037 553 HG23 ILE 70 3HG2 ILE 70 -6.219 -1.931 5.162 554 HD11 ILE 70 3HD1 ILE 70 -5.399 1.787 3.712 555 HD12 ILE 70 1HD1 ILE 70 -7.148 1.880 3.512 556 HD13 ILE 70 2HD1 ILE 70 -6.310 0.358 3.207 557 H GLU 71 H GLU 71 -5.819 -2.615 8.507 558 HA GLU 71 HA GLU 71 -3.250 -3.017 9.580 559 HB2 GLU 71 1HB GLU 71 -3.791 -5.494 9.437 560 HB3 GLU 71 2HB GLU 71 -4.924 -4.529 10.366 561 HG2 GLU 71 1HG GLU 71 -5.573 -5.062 7.474 562 HG3 GLU 71 2HG GLU 71 -5.705 -6.405 8.609 563 H TYR 72 H TYR 72 -1.297 -3.668 8.595 564 HA TYR 72 HA TYR 72 -1.354 -4.301 5.728 565 HD1 TYR 72 HD1 TYR 72 -1.021 -0.905 8.338 566 HD2 TYR 72 HD2 TYR 72 2.361 -2.268 6.112 567 HE1 TYR 72 HE1 TYR 72 0.484 0.249 9.900 568 HE2 TYR 72 HE2 TYR 72 3.862 -1.115 7.669 569 HH TYR 72 HH TYR 72 3.777 0.788 9.261 570 HB2 TYR 72 1HB TYR 72 0.114 -2.464 5.159 571 HB3 TYR 72 2HB TYR 72 -1.278 -1.802 5.998 572 H ARG 73 H ARG 73 0.371 -5.407 4.994 573 HA ARG 73 HA ARG 73 2.587 -6.120 6.827 574 HE ARG 73 HE ARG 73 5.416 -9.649 6.019 575 HB2 ARG 73 1HB ARG 73 1.137 -8.041 6.113 576 HB3 ARG 73 2HB ARG 73 1.453 -7.650 4.430 577 HG2 ARG 73 1HG ARG 73 2.827 -9.527 5.053 578 HG3 ARG 73 2HG ARG 73 3.875 -8.129 4.806 579 HD2 ARG 73 1HD ARG 73 3.980 -7.794 7.259 580 HD3 ARG 73 2HD ARG 73 2.940 -9.201 7.489 581 HH11 ARG 73 1HH1 ARG 73 3.781 -9.907 9.118 582 HH12 ARG 73 2HH1 ARG 73 4.963 -10.979 9.786 583 HH21 ARG 73 1HH2 ARG 73 6.959 -11.052 6.908 584 HH22 ARG 73 2HH2 ARG 73 6.770 -11.623 8.531 585 H VAL 74 H VAL 74 4.614 -5.455 6.147 586 HA VAL 74 HA VAL 74 4.871 -4.367 3.406 587 HB VAL 74 HB VAL 74 6.922 -3.207 4.141 588 HG11 VAL 74 1HG1 VAL 74 4.545 -2.600 5.945 589 HG12 VAL 74 2HG1 VAL 74 4.759 -2.030 4.287 590 HG13 VAL 74 3HG1 VAL 74 5.863 -1.488 5.552 591 HG21 VAL 74 3HG2 VAL 74 7.572 -3.067 6.527 592 HG22 VAL 74 1HG2 VAL 74 7.703 -4.721 5.921 593 HG23 VAL 74 2HG2 VAL 74 6.336 -4.262 6.938 594 H ILE 75 H ILE 75 6.038 -5.360 1.972 595 HA ILE 75 HA ILE 75 7.684 -7.719 2.639 596 HB ILE 75 HB ILE 75 6.092 -7.297 0.045 597 HG12 ILE 75 1HG1 ILE 75 4.713 -9.355 0.960 598 HG13 ILE 75 2HG1 ILE 75 5.312 -8.865 2.538 599 HG21 ILE 75 1HG2 ILE 75 8.099 -8.674 -0.254 600 HG22 ILE 75 2HG2 ILE 75 6.644 -9.654 -0.448 601 HG23 ILE 75 3HG2 ILE 75 7.585 -9.756 1.045 602 HD11 ILE 75 3HD1 ILE 75 3.637 -7.186 0.673 603 HD12 ILE 75 1HD1 ILE 75 4.216 -6.694 2.267 604 HD13 ILE 75 2HD1 ILE 75 3.077 -8.030 2.117 605 H LEU 76 H LEU 76 9.758 -7.566 1.896 606 HA LEU 76 HA LEU 76 10.651 -5.276 0.413 607 HG LEU 76 HG LEU 76 11.735 -6.436 3.233 608 HB2 LEU 76 1HB LEU 76 12.102 -7.803 1.275 609 HB3 LEU 76 2HB LEU 76 12.887 -6.483 0.419 610 HD11 LEU 76 1HD1 LEU 76 14.019 -5.837 3.877 611 HD12 LEU 76 2HD1 LEU 76 14.538 -5.930 2.192 612 HD13 LEU 76 3HD1 LEU 76 13.976 -7.382 3.030 613 HD21 LEU 76 3HD2 LEU 76 11.065 -4.337 2.197 614 HD22 LEU 76 1HD2 LEU 76 12.710 -4.053 1.615 615 HD23 LEU 76 2HD2 LEU 76 12.364 -4.042 3.346 616 HA PRO 77 HA PRO 77 10.281 -6.940 -3.747 617 HB2 PRO 77 1HB PRO 77 12.333 -5.605 -4.997 618 HB3 PRO 77 2HB PRO 77 10.809 -4.834 -4.564 619 HG2 PRO 77 1HG PRO 77 13.442 -4.761 -3.107 620 HG3 PRO 77 2HG PRO 77 12.313 -3.429 -3.443 621 HD2 PRO 77 1HD PRO 77 12.415 -4.673 -1.030 622 HD3 PRO 77 2HD PRO 77 10.896 -4.029 -1.685 623 H LYS 78 H LYS 78 11.405 -8.390 -5.232 624 HA LYS 78 HA LYS 78 13.054 -10.319 -3.980 625 HB2 LYS 78 1HB LYS 78 13.106 -11.489 -6.119 626 HB3 LYS 78 2HB LYS 78 11.504 -10.831 -5.867 627 HG2 LYS 78 1HG LYS 78 11.806 -10.399 -8.115 628 HG3 LYS 78 2HG LYS 78 12.330 -8.881 -7.399 629 HD2 LYS 78 1HD LYS 78 14.723 -9.778 -7.545 630 HD3 LYS 78 2HD LYS 78 14.077 -11.100 -8.514 631 HE2 LYS 78 1HE LYS 78 13.846 -8.150 -9.198 632 HE3 LYS 78 2HE LYS 78 15.025 -9.262 -9.891 633 HZ1 LYS 78 3HZ LYS 78 13.274 -10.491 -10.925 634 HZ2 LYS 78 1HZ LYS 78 13.071 -8.859 -11.308 635 HZ3 LYS 78 2HZ LYS 78 12.081 -9.582 -10.143 636 H GLU 79 H GLU 79 13.796 -7.448 -5.761 637 HA GLU 79 HA GLU 79 16.517 -7.964 -6.456 638 HB2 GLU 79 1HB GLU 79 16.591 -5.580 -7.015 639 HB3 GLU 79 2HB GLU 79 15.061 -6.263 -7.569 640 HG2 GLU 79 1HG GLU 79 13.966 -5.381 -5.507 641 HG3 GLU 79 2HG GLU 79 15.484 -4.609 -5.060 642 H ALA 80 H ALA 80 14.907 -6.726 -3.572 643 HA ALA 80 HA ALA 80 17.249 -5.694 -2.272 644 HB1 ALA 80 3HB ALA 80 15.015 -4.879 -1.656 645 HB2 ALA 80 1HB ALA 80 15.839 -5.578 -0.258 646 HB3 ALA 80 2HB ALA 80 14.571 -6.489 -1.084 Start of MODEL 3 1 H MET 1 H MET 1 -10.840 -3.883 4.918 2 HA MET 1 HA MET 1 -9.341 -5.255 3.644 3 HB2 MET 1 1HB MET 1 -8.165 -2.461 3.457 4 HB3 MET 1 2HB MET 1 -8.582 -3.580 2.162 5 HG2 MET 1 1HG MET 1 -10.443 -1.893 3.815 6 HG3 MET 1 2HG MET 1 -10.113 -1.781 2.083 7 HE1 MET 1 3HE MET 1 -13.050 -2.033 3.667 8 HE2 MET 1 1HE MET 1 -13.917 -3.069 2.535 9 HE3 MET 1 2HE MET 1 -12.946 -1.726 1.931 10 H SER 2 H SER 2 -7.083 -5.778 3.122 11 HA SER 2 HA SER 2 -5.138 -5.179 5.272 12 HG SER 2 HG SER 2 -5.922 -7.140 6.557 13 HB2 SER 2 1HB SER 2 -5.559 -7.841 3.826 14 HB3 SER 2 2HB SER 2 -4.294 -7.502 5.013 15 H ALA 3 H ALA 3 -3.394 -4.175 4.456 16 HA ALA 3 HA ALA 3 -3.064 -4.064 1.502 17 HB1 ALA 3 3HB ALA 3 -3.547 -1.901 2.561 18 HB2 ALA 3 1HB ALA 3 -1.918 -1.921 1.889 19 HB3 ALA 3 2HB ALA 3 -2.154 -2.086 3.633 20 H LYS 4 H LYS 4 -1.127 -4.650 0.630 21 HA LYS 4 HA LYS 4 1.008 -5.623 2.406 22 HB2 LYS 4 1HB LYS 4 1.715 -7.145 0.616 23 HB3 LYS 4 2HB LYS 4 0.047 -7.460 1.064 24 HG2 LYS 4 1HG LYS 4 -0.767 -6.434 -0.972 25 HG3 LYS 4 2HG LYS 4 0.846 -5.847 -1.380 26 HD2 LYS 4 1HD LYS 4 0.376 -7.787 -2.752 27 HD3 LYS 4 2HD LYS 4 1.623 -8.225 -1.581 28 HE2 LYS 4 1HE LYS 4 0.034 -10.050 -1.743 29 HE3 LYS 4 2HE LYS 4 -0.167 -9.287 -0.167 30 HZ1 LYS 4 3HZ LYS 4 -2.291 -9.746 -1.151 31 HZ2 LYS 4 1HZ LYS 4 -1.889 -8.889 -2.552 32 HZ3 LYS 4 2HZ LYS 4 -2.065 -8.076 -1.089 33 H ILE 5 H ILE 5 2.817 -4.446 2.371 34 HA ILE 5 HA ILE 5 3.261 -2.452 0.210 35 HB ILE 5 HB ILE 5 4.558 -2.533 2.981 36 HG12 ILE 5 1HG1 ILE 5 2.339 -0.701 1.989 37 HG13 ILE 5 2HG1 ILE 5 2.106 -2.056 3.082 38 HG21 ILE 5 1HG2 ILE 5 4.611 -0.352 0.853 39 HG22 ILE 5 2HG2 ILE 5 5.944 -1.448 1.225 40 HG23 ILE 5 3HG2 ILE 5 5.399 -0.281 2.435 41 HD11 ILE 5 3HD1 ILE 5 3.714 0.433 3.637 42 HD12 ILE 5 1HD1 ILE 5 3.521 -0.932 4.743 43 HD13 ILE 5 2HD1 ILE 5 2.120 0.034 4.281 44 H TYR 6 H TYR 6 4.782 -2.992 -1.176 45 HA TYR 6 HA TYR 6 7.158 -4.504 -0.392 46 HD1 TYR 6 HD2 TYR 6 3.311 -5.177 -1.473 47 HD2 TYR 6 HD1 TYR 6 6.165 -5.948 -4.566 48 HE1 TYR 6 HE2 TYR 6 1.533 -5.021 -3.154 49 HE2 TYR 6 HE1 TYR 6 4.375 -5.799 -6.243 50 HH TYR 6 HH TYR 6 1.247 -4.587 -5.517 51 HB2 TYR 6 1HB TYR 6 6.860 -6.135 -2.277 52 HB3 TYR 6 2HB TYR 6 5.642 -6.325 -1.028 53 H ARG 7 H ARG 7 8.536 -4.694 -2.489 54 HA ARG 7 HA ARG 7 8.213 -2.322 -4.215 55 HE ARG 7 HE ARG 7 11.905 0.951 -4.648 56 HB2 ARG 7 1HB ARG 7 9.762 -1.869 -2.261 57 HB3 ARG 7 2HB ARG 7 10.822 -3.124 -2.876 58 HG2 ARG 7 1HG ARG 7 11.195 -1.809 -4.938 59 HG3 ARG 7 2HG ARG 7 10.094 -0.568 -4.334 60 HD2 ARG 7 1HD ARG 7 11.623 -0.319 -2.332 61 HD3 ARG 7 2HD ARG 7 12.763 -1.373 -3.155 62 HH11 ARG 7 1HH1 ARG 7 14.403 -0.364 -2.549 63 HH12 ARG 7 2HH1 ARG 7 15.516 0.916 -2.891 64 HH21 ARG 7 1HH2 ARG 7 13.358 2.603 -5.067 65 HH22 ARG 7 2HH2 ARG 7 14.926 2.606 -4.323 66 HA PRO 8 HA PRO 8 9.027 -6.085 -6.687 67 HB2 PRO 8 1HB PRO 8 7.067 -5.823 -8.457 68 HB3 PRO 8 2HB PRO 8 6.635 -6.047 -6.752 69 HG2 PRO 8 1HG PRO 8 6.727 -3.485 -8.356 70 HG3 PRO 8 2HG PRO 8 5.464 -4.054 -7.240 71 HD2 PRO 8 1HD PRO 8 7.546 -2.301 -6.539 72 HD3 PRO 8 2HD PRO 8 6.591 -3.259 -5.386 73 H ALA 9 H ALA 9 8.709 -6.023 -9.412 74 HA ALA 9 HA ALA 9 10.370 -3.799 -10.484 75 HB1 ALA 9 3HB ALA 9 11.649 -5.956 -10.367 76 HB2 ALA 9 1HB ALA 9 11.412 -5.393 -12.028 77 HB3 ALA 9 2HB ALA 9 10.424 -6.711 -11.390 78 H LYS 10 H LYS 10 7.431 -4.641 -10.136 79 HA LYS 10 HA LYS 10 6.313 -5.038 -12.757 80 HB2 LYS 10 1HB LYS 10 5.455 -6.036 -10.599 81 HB3 LYS 10 2HB LYS 10 4.977 -4.428 -10.080 82 HG2 LYS 10 1HG LYS 10 3.082 -5.741 -10.887 83 HG3 LYS 10 2HG LYS 10 3.331 -4.307 -11.881 84 HD2 LYS 10 1HD LYS 10 2.772 -6.357 -13.227 85 HD3 LYS 10 2HD LYS 10 4.333 -5.658 -13.665 86 HE2 LYS 10 1HE LYS 10 5.487 -7.360 -12.322 87 HE3 LYS 10 2HE LYS 10 3.940 -8.036 -11.810 88 HZ1 LYS 10 3HZ LYS 10 4.861 -9.337 -13.566 89 HZ2 LYS 10 1HZ LYS 10 5.002 -7.985 -14.569 90 HZ3 LYS 10 2HZ LYS 10 3.476 -8.556 -14.132 91 H THR 11 H THR 11 7.234 -2.384 -10.842 92 HA THR 11 HA THR 11 5.525 -0.312 -11.683 93 HB THR 11 HB THR 11 7.513 1.195 -11.080 94 HG1 THR 11 HG1 THR 11 9.073 -0.530 -11.645 95 HG21 THR 11 3HG2 THR 11 6.798 -0.928 -9.013 96 HG22 THR 11 1HG2 THR 11 5.862 0.534 -9.340 97 HG23 THR 11 2HG2 THR 11 7.490 0.659 -8.670 98 H ALA 12 H ALA 12 5.091 -0.401 -13.855 99 HA ALA 12 HA ALA 12 7.108 -0.413 -15.933 100 HB1 ALA 12 3HB ALA 12 5.183 -0.267 -17.458 101 HB2 ALA 12 1HB ALA 12 4.108 0.046 -16.093 102 HB3 ALA 12 2HB ALA 12 4.914 -1.515 -16.239 103 H MET 13 H MET 13 6.452 1.416 -17.781 104 HA MET 13 HA MET 13 7.490 3.879 -16.773 105 HB2 MET 13 1HB MET 13 6.194 3.331 -19.477 106 HB3 MET 13 2HB MET 13 7.160 4.744 -19.071 107 HG2 MET 13 1HG MET 13 9.125 3.246 -18.727 108 HG3 MET 13 2HG MET 13 8.140 1.882 -19.262 109 HE1 MET 13 3HE MET 13 6.383 3.391 -21.628 110 HE2 MET 13 1HE MET 13 7.039 1.762 -21.776 111 HE3 MET 13 2HE MET 13 7.373 2.965 -23.022 112 H GLN 14 H GLN 14 6.084 4.536 -15.159 113 HA GLN 14 HA GLN 14 3.288 5.200 -15.772 114 HB2 GLN 14 1HB GLN 14 3.754 4.026 -13.660 115 HB3 GLN 14 2HB GLN 14 4.914 5.262 -13.186 116 HG2 GLN 14 1HG GLN 14 3.099 6.915 -13.007 117 HG3 GLN 14 2HG GLN 14 1.932 5.701 -13.539 118 HE21 GLN 14 2HE2 GLN 14 0.746 5.937 -11.620 119 HE22 GLN 14 1HE2 GLN 14 1.302 5.302 -10.114 120 H SER 15 H SER 15 2.999 7.112 -16.718 121 HA SER 15 HA SER 15 3.227 9.221 -17.473 122 HG SER 15 HG SER 15 3.716 11.372 -16.900 123 HB2 SER 15 1HB SER 15 2.805 9.722 -15.015 124 HB3 SER 15 2HB SER 15 4.549 9.884 -14.808 125 H GLY 16 H GLY 16 5.361 7.207 -17.840 126 HA2 GLY 16 1HA GLY 16 7.181 7.332 -19.357 127 HA3 GLY 16 2HA GLY 16 7.551 8.950 -18.778 128 H THR 17 H THR 17 7.445 8.329 -15.957 129 HA THR 17 HA THR 17 10.212 7.560 -15.719 130 HB THR 17 HB THR 17 9.365 9.502 -14.470 131 HG1 THR 17 HG1 THR 17 10.231 8.837 -12.375 132 HG21 THR 17 3HG2 THR 17 7.744 7.538 -12.812 133 HG22 THR 17 1HG2 THR 17 7.087 8.757 -13.904 134 HG23 THR 17 2HG2 THR 17 7.959 9.252 -12.451 135 H ALA 18 H ALA 18 11.093 5.789 -14.858 136 HA ALA 18 HA ALA 18 9.815 3.799 -13.269 137 HB1 ALA 18 3HB ALA 18 10.285 3.048 -16.183 138 HB2 ALA 18 1HB ALA 18 8.706 3.270 -15.422 139 HB3 ALA 18 2HB ALA 18 9.759 1.956 -14.897 140 H LYS 19 H LYS 19 12.444 5.424 -13.955 141 HA LYS 19 HA LYS 19 14.525 3.597 -14.554 142 HB2 LYS 19 1HB LYS 19 14.696 6.246 -13.060 143 HB3 LYS 19 2HB LYS 19 16.065 5.373 -13.752 144 HG2 LYS 19 1HG LYS 19 15.120 5.677 -16.014 145 HG3 LYS 19 2HG LYS 19 13.745 6.547 -15.322 146 HD2 LYS 19 1HD LYS 19 15.324 8.285 -14.445 147 HD3 LYS 19 2HD LYS 19 16.664 7.419 -15.206 148 HE2 LYS 19 1HE LYS 19 14.298 8.620 -16.683 149 HE3 LYS 19 2HE LYS 19 15.897 9.353 -16.552 150 HZ1 LYS 19 3HZ LYS 19 16.822 7.511 -17.769 151 HZ2 LYS 19 1HZ LYS 19 15.554 8.190 -18.658 152 HZ3 LYS 19 2HZ LYS 19 15.323 6.737 -17.827 153 H THR 20 H THR 20 13.081 4.654 -11.513 154 HA THR 20 HA THR 20 14.609 2.608 -10.004 155 HB THR 20 HB THR 20 14.008 3.850 -7.946 156 HG1 THR 20 HG1 THR 20 12.033 4.784 -8.630 157 HG21 THR 20 3HG2 THR 20 15.352 5.903 -8.278 158 HG22 THR 20 1HG2 THR 20 15.225 5.708 -10.031 159 HG23 THR 20 2HG2 THR 20 16.111 4.522 -9.070 160 H ASN 21 H ASN 21 13.451 0.877 -9.336 161 HA ASN 21 HA ASN 21 10.584 0.686 -9.692 162 HB2 ASN 21 1HB ASN 21 12.571 -1.226 -8.388 163 HB3 ASN 21 2HB ASN 21 10.874 -1.593 -8.683 164 HD21 ASN 21 2HD2 ASN 21 10.831 -0.290 -11.331 165 HD22 ASN 21 1HD2 ASN 21 11.704 -1.347 -12.379 166 H VAL 22 H VAL 22 9.430 1.949 -8.324 167 HA VAL 22 HA VAL 22 10.256 2.516 -5.607 168 HB VAL 22 HB VAL 22 8.238 3.950 -5.501 169 HG11 VAL 22 1HG1 VAL 22 9.811 4.334 -8.078 170 HG12 VAL 22 2HG1 VAL 22 10.289 4.898 -6.475 171 HG13 VAL 22 3HG1 VAL 22 8.862 5.579 -7.259 172 HG21 VAL 22 3HG2 VAL 22 6.741 4.214 -7.469 173 HG22 VAL 22 1HG2 VAL 22 6.670 2.572 -6.816 174 HG23 VAL 22 2HG2 VAL 22 7.592 2.899 -8.286 175 H TRP 23 H TRP 23 8.034 2.575 -4.076 176 HA TRP 23 HA TRP 23 7.687 -0.274 -3.474 177 HD1 TRP 23 HD1 TRP 23 9.882 2.616 -2.075 178 HE1 TRP 23 HE1 TRP 23 11.761 1.596 -0.669 179 HE3 TRP 23 HE3 TRP 23 7.342 -1.341 -0.036 180 HZ2 TRP 23 HZ2 TRP 23 12.142 -0.602 1.076 181 HZ3 TRP 23 HZ3 TRP 23 8.539 -2.858 1.491 182 HH2 TRP 23 HH2 TRP 23 10.897 -2.497 2.036 183 HB2 TRP 23 1HB TRP 23 7.120 2.257 -1.851 184 HB3 TRP 23 2HB TRP 23 6.621 0.651 -1.324 185 H VAL 24 H VAL 24 5.780 -1.257 -3.930 186 HA VAL 24 HA VAL 24 3.452 0.366 -4.739 187 HB VAL 24 HB VAL 24 4.044 -2.586 -5.253 188 HG11 VAL 24 1HG1 VAL 24 1.634 -0.943 -6.143 189 HG12 VAL 24 2HG1 VAL 24 1.610 -2.277 -4.989 190 HG13 VAL 24 3HG1 VAL 24 2.003 -2.584 -6.679 191 HG21 VAL 24 3HG2 VAL 24 3.965 -0.213 -7.154 192 HG22 VAL 24 1HG2 VAL 24 4.222 -1.897 -7.621 193 HG23 VAL 24 2HG2 VAL 24 5.412 -1.068 -6.615 194 H LEU 25 H LEU 25 1.585 0.225 -3.724 195 HA LEU 25 HA LEU 25 1.297 -1.339 -1.238 196 HG LEU 25 HG LEU 25 -1.424 0.271 -0.576 197 HB2 LEU 25 1HB LEU 25 1.506 1.066 -0.800 198 HB3 LEU 25 2HB LEU 25 0.293 1.441 -2.015 199 HD11 LEU 25 1HD1 LEU 25 -0.924 -0.209 1.762 200 HD12 LEU 25 2HD1 LEU 25 0.775 0.196 1.503 201 HD13 LEU 25 3HD1 LEU 25 0.063 -1.201 0.691 202 HD21 LEU 25 3HD2 LEU 25 0.009 2.590 0.742 203 HD22 LEU 25 1HD2 LEU 25 -1.653 2.077 1.052 204 HD23 LEU 25 2HD2 LEU 25 -1.207 2.704 -0.534 205 H GLU 26 H GLU 26 0.056 -2.980 -1.811 206 HA GLU 26 HA GLU 26 -2.221 -2.551 -3.673 207 HB2 GLU 26 1HB GLU 26 -0.433 -3.978 -4.644 208 HB3 GLU 26 2HB GLU 26 -0.553 -5.088 -3.290 209 HG2 GLU 26 1HG GLU 26 -3.030 -4.594 -4.936 210 HG3 GLU 26 2HG GLU 26 -1.747 -5.557 -5.651 211 H PHE 27 H PHE 27 -4.170 -2.996 -2.886 212 HA PHE 27 HA PHE 27 -4.565 -4.805 -0.670 213 HD1 PHE 27 HD2 PHE 27 -3.503 -0.883 -1.012 214 HD2 PHE 27 HD1 PHE 27 -7.591 -1.567 0.063 215 HE1 PHE 27 HE2 PHE 27 -4.063 1.422 -1.640 216 HE2 PHE 27 HE1 PHE 27 -8.136 0.745 -0.556 217 HZ PHE 27 HZ PHE 27 -6.374 2.244 -1.409 218 HB2 PHE 27 1HB PHE 27 -5.933 -3.193 0.650 219 HB3 PHE 27 2HB PHE 27 -4.237 -2.777 0.587 220 H ASP 28 H ASP 28 -6.699 -5.425 -0.363 221 HA ASP 28 HA ASP 28 -8.462 -5.349 -2.671 222 HB2 ASP 28 1HB ASP 28 -10.092 -6.502 -1.197 223 HB3 ASP 28 2HB ASP 28 -8.530 -7.304 -1.156 224 H ALA 29 H ALA 29 -10.055 -3.799 -3.015 225 HA ALA 29 HA ALA 29 -9.397 -1.230 -2.218 226 HB1 ALA 29 3HB ALA 29 -12.066 -2.091 -3.351 227 HB2 ALA 29 1HB ALA 29 -10.617 -1.705 -4.280 228 HB3 ALA 29 2HB ALA 29 -11.430 -0.442 -3.349 229 H GLU 30 H GLU 30 -10.114 0.285 -0.828 230 HA GLU 30 HA GLU 30 -11.591 -0.474 1.551 231 HB2 GLU 30 1HB GLU 30 -11.015 1.854 2.308 232 HB3 GLU 30 2HB GLU 30 -9.611 0.913 1.823 233 HG2 GLU 30 1HG GLU 30 -9.433 2.097 -0.277 234 HG3 GLU 30 2HG GLU 30 -10.967 2.920 0.001 235 H VAL 31 H VAL 31 -13.369 -0.843 -0.416 236 HA VAL 31 HA VAL 31 -15.012 1.619 -0.612 237 HB VAL 31 HB VAL 31 -14.050 0.910 -2.791 238 HG11 VAL 31 1HG1 VAL 31 -15.640 -1.655 -2.478 239 HG12 VAL 31 2HG1 VAL 31 -13.881 -1.513 -2.432 240 HG13 VAL 31 3HG1 VAL 31 -14.757 -1.160 -3.925 241 HG21 VAL 31 3HG2 VAL 31 -16.137 0.963 -4.130 242 HG22 VAL 31 1HG2 VAL 31 -16.191 2.120 -2.796 243 HG23 VAL 31 2HG2 VAL 31 -17.072 0.596 -2.679 244 HA PRO 32 HA PRO 32 -18.325 -1.064 1.132 245 HB2 PRO 32 1HB PRO 32 -20.108 0.876 1.655 246 HB3 PRO 32 2HB PRO 32 -18.663 0.699 2.665 247 HG2 PRO 32 1HG PRO 32 -19.170 2.636 0.400 248 HG3 PRO 32 2HG PRO 32 -18.468 2.956 2.003 249 HD2 PRO 32 1HD PRO 32 -16.951 2.571 -0.278 250 HD3 PRO 32 2HD PRO 32 -16.367 2.217 1.362 251 H ARG 33 H ARG 33 -20.991 -0.209 0.452 252 HA ARG 33 HA ARG 33 -21.075 -0.600 -2.433 253 HE ARG 33 HE ARG 33 -24.897 0.460 2.128 254 HB2 ARG 33 1HB ARG 33 -23.630 -0.420 -2.068 255 HB3 ARG 33 2HB ARG 33 -22.795 -1.792 -1.372 256 HG2 ARG 33 1HG ARG 33 -24.353 -1.149 0.273 257 HG3 ARG 33 2HG ARG 33 -22.814 -0.524 0.854 258 HD2 ARG 33 1HD ARG 33 -23.407 1.725 0.166 259 HD3 ARG 33 2HD ARG 33 -24.869 1.139 -0.632 260 HH11 ARG 33 1HH1 ARG 33 -25.348 3.216 -0.021 261 HH12 ARG 33 2HH1 ARG 33 -26.407 4.045 1.070 262 HH21 ARG 33 1HH2 ARG 33 -26.302 1.564 3.540 263 HH22 ARG 33 2HH2 ARG 33 -26.938 3.113 3.098 264 H LYS 34 H LYS 34 -19.607 1.549 -2.216 265 HA LYS 34 HA LYS 34 -21.063 4.054 -2.072 266 HB2 LYS 34 1HB LYS 34 -18.718 3.744 -1.170 267 HB3 LYS 34 2HB LYS 34 -18.143 3.536 -2.816 268 HG2 LYS 34 1HG LYS 34 -17.662 5.783 -2.052 269 HG3 LYS 34 2HG LYS 34 -18.858 5.848 -3.349 270 HD2 LYS 34 1HD LYS 34 -20.660 6.092 -1.621 271 HD3 LYS 34 2HD LYS 34 -19.419 6.096 -0.364 272 HE2 LYS 34 1HE LYS 34 -19.720 8.157 -2.578 273 HE3 LYS 34 2HE LYS 34 -20.157 8.382 -0.884 274 HZ1 LYS 34 3HZ LYS 34 -17.415 7.864 -1.895 275 HZ2 LYS 34 1HZ LYS 34 -17.849 8.109 -0.281 276 HZ3 LYS 34 2HZ LYS 34 -18.018 9.361 -1.399 277 H ILE 35 H ILE 35 -22.497 3.458 -3.814 278 HA ILE 35 HA ILE 35 -21.572 4.091 -6.520 279 HB ILE 35 HB ILE 35 -22.858 2.095 -7.457 280 HG12 ILE 35 1HG1 ILE 35 -22.931 1.302 -4.518 281 HG13 ILE 35 2HG1 ILE 35 -24.292 1.498 -5.612 282 HG21 ILE 35 1HG2 ILE 35 -20.398 2.063 -7.346 283 HG22 ILE 35 2HG2 ILE 35 -21.068 0.447 -7.127 284 HG23 ILE 35 3HG2 ILE 35 -20.468 1.353 -5.732 285 HD11 ILE 35 3HD1 ILE 35 -22.246 -0.699 -5.633 286 HD12 ILE 35 1HD1 ILE 35 -23.514 -0.496 -6.843 287 HD13 ILE 35 2HD1 ILE 35 -23.940 -0.808 -5.161 288 H ASP 36 H ASP 36 -23.239 4.955 -7.803 289 HA ASP 36 HA ASP 36 -25.722 5.712 -6.356 290 HB2 ASP 36 1HB ASP 36 -24.139 7.150 -8.541 291 HB3 ASP 36 2HB ASP 36 -25.742 7.668 -8.023 292 HA PRO 37 HA PRO 37 -28.319 3.768 -9.499 293 HB2 PRO 37 1HB PRO 37 -30.294 5.734 -9.775 294 HB3 PRO 37 2HB PRO 37 -30.270 4.513 -8.497 295 HG2 PRO 37 1HG PRO 37 -29.291 7.369 -8.409 296 HG3 PRO 37 2HG PRO 37 -30.248 6.475 -7.202 297 HD2 PRO 37 1HD PRO 37 -27.614 6.827 -6.857 298 HD3 PRO 37 2HD PRO 37 -28.368 5.273 -6.430 299 H ILE 38 H ILE 38 -27.349 7.147 -9.825 300 HA ILE 38 HA ILE 38 -27.744 7.562 -12.582 301 HB ILE 38 HB ILE 38 -25.608 8.838 -10.807 302 HG12 ILE 38 1HG1 ILE 38 -28.477 9.765 -11.311 303 HG13 ILE 38 2HG1 ILE 38 -27.869 9.086 -9.805 304 HG21 ILE 38 1HG2 ILE 38 -25.675 10.744 -12.389 305 HG22 ILE 38 2HG2 ILE 38 -26.847 9.882 -13.387 306 HG23 ILE 38 3HG2 ILE 38 -25.209 9.253 -13.212 307 HD11 ILE 38 3HD1 ILE 38 -28.081 11.479 -9.643 308 HD12 ILE 38 1HD1 ILE 38 -27.037 11.706 -11.046 309 HD13 ILE 38 2HD1 ILE 38 -26.380 11.027 -9.554 310 H MET 39 H MET 39 -25.040 6.183 -10.758 311 HA MET 39 HA MET 39 -23.147 5.984 -12.875 312 HB2 MET 39 1HB MET 39 -23.369 4.481 -10.233 313 HB3 MET 39 2HB MET 39 -21.992 4.338 -11.320 314 HG2 MET 39 1HG MET 39 -21.483 6.709 -11.031 315 HG3 MET 39 2HG MET 39 -22.907 6.904 -10.002 316 HE1 MET 39 3HE MET 39 -19.827 7.245 -7.541 317 HE2 MET 39 1HE MET 39 -21.256 8.054 -8.186 318 HE3 MET 39 2HE MET 39 -19.864 7.751 -9.231 319 H GLY 40 H GLY 40 -25.725 3.881 -11.732 320 HA2 GLY 40 1HA GLY 40 -26.716 2.023 -12.653 321 HA3 GLY 40 2HA GLY 40 -25.786 2.302 -14.119 322 H TYR 41 H TYR 41 -24.000 2.023 -11.182 323 HA TYR 41 HA TYR 41 -23.024 -0.672 -11.917 324 HD1 TYR 41 HD1 TYR 41 -20.788 -1.267 -12.646 325 HD2 TYR 41 HD2 TYR 41 -19.967 0.443 -8.815 326 HE1 TYR 41 HE1 TYR 41 -18.985 -2.903 -12.294 327 HE2 TYR 41 HE2 TYR 41 -18.174 -1.191 -8.465 328 HH TYR 41 HH TYR 41 -16.887 -3.086 -10.925 329 HB2 TYR 41 1HB TYR 41 -21.410 1.308 -11.873 330 HB3 TYR 41 2HB TYR 41 -21.684 1.420 -10.139 331 H THR 42 H THR 42 -25.514 -0.076 -10.458 332 HA THR 42 HA THR 42 -25.081 -0.573 -7.647 333 HB THR 42 HB THR 42 -27.662 -0.548 -7.622 334 HG1 THR 42 HG1 THR 42 -28.662 0.121 -9.498 335 HG21 THR 42 3HG2 THR 42 -27.778 1.898 -7.871 336 HG22 THR 42 1HG2 THR 42 -26.232 1.906 -8.722 337 HG23 THR 42 2HG2 THR 42 -26.303 1.438 -7.021 338 H SER 43 H SER 43 -26.079 -2.481 -10.460 339 HA SER 43 HA SER 43 -26.958 -4.805 -9.045 340 HG SER 43 HG SER 43 -27.525 -6.584 -10.814 341 HB2 SER 43 1HB SER 43 -27.510 -4.427 -11.433 342 HB3 SER 43 2HB SER 43 -25.808 -4.575 -11.866 343 H SER 44 H SER 44 -23.859 -3.832 -10.460 344 HA SER 44 HA SER 44 -22.416 -6.040 -9.186 345 HG SER 44 HG SER 44 -22.136 -6.483 -11.520 346 HB2 SER 44 1HB SER 44 -21.412 -3.788 -10.983 347 HB3 SER 44 2HB SER 44 -20.470 -5.180 -10.442 348 H SER 45 H SER 45 -23.174 -5.124 -7.067 349 HA SER 45 HA SER 45 -22.070 -2.719 -5.996 350 HG SER 45 HG SER 45 -23.742 -2.902 -3.307 351 HB2 SER 45 1HB SER 45 -24.148 -3.832 -5.117 352 HB3 SER 45 2HB SER 45 -23.152 -5.153 -4.506 353 H ASP 46 H ASP 46 -19.856 -2.640 -6.228 354 HA ASP 46 HA ASP 46 -18.149 -4.900 -5.891 355 HB2 ASP 46 1HB ASP 46 -17.635 -2.961 -7.419 356 HB3 ASP 46 2HB ASP 46 -17.316 -1.970 -5.996 357 H MET 47 H MET 47 -17.336 -5.697 -4.090 358 HA MET 47 HA MET 47 -17.770 -4.382 -1.517 359 HB2 MET 47 1HB MET 47 -16.716 -7.178 -2.130 360 HB3 MET 47 2HB MET 47 -17.240 -6.580 -0.560 361 HG2 MET 47 1HG MET 47 -19.530 -6.386 -1.348 362 HG3 MET 47 2HG MET 47 -19.040 -6.877 -2.977 363 HE1 MET 47 3HE MET 47 -20.774 -8.817 -3.151 364 HE2 MET 47 1HE MET 47 -21.446 -8.364 -1.587 365 HE3 MET 47 2HE MET 47 -21.024 -10.047 -1.910 366 H LYS 48 H LYS 48 -15.062 -5.671 -3.449 367 HA LYS 48 HA LYS 48 -13.222 -3.714 -2.607 368 HB2 LYS 48 1HB LYS 48 -11.591 -5.116 -1.319 369 HB3 LYS 48 2HB LYS 48 -13.080 -4.794 -0.448 370 HG2 LYS 48 1HG LYS 48 -13.001 -7.386 -1.955 371 HG3 LYS 48 2HG LYS 48 -11.874 -7.273 -0.614 372 HD2 LYS 48 1HD LYS 48 -14.810 -6.631 -0.224 373 HD3 LYS 48 2HD LYS 48 -14.248 -8.300 -0.207 374 HE2 LYS 48 1HE LYS 48 -14.416 -7.397 2.072 375 HE3 LYS 48 2HE LYS 48 -12.747 -7.790 1.673 376 HZ1 LYS 48 3HZ LYS 48 -13.046 -5.662 2.852 377 HZ2 LYS 48 1HZ LYS 48 -13.885 -5.059 1.516 378 HZ3 LYS 48 2HZ LYS 48 -12.255 -5.501 1.368 379 H GLN 49 H GLN 49 -13.069 -3.680 -4.896 380 HA GLN 49 HA GLN 49 -11.783 -5.789 -6.394 381 HB2 GLN 49 1HB GLN 49 -11.507 -4.045 -8.174 382 HB3 GLN 49 2HB GLN 49 -13.163 -4.193 -7.598 383 HG2 GLN 49 1HG GLN 49 -12.767 -2.189 -6.129 384 HG3 GLN 49 2HG GLN 49 -11.192 -2.006 -6.901 385 HE21 GLN 49 2HE2 GLN 49 -13.603 -0.244 -6.849 386 HE22 GLN 49 1HE2 GLN 49 -13.968 0.071 -8.509 387 H GLN 50 H GLN 50 -9.558 -5.957 -6.958 388 HA GLN 50 HA GLN 50 -7.795 -4.969 -4.920 389 HB2 GLN 50 1HB GLN 50 -7.206 -6.485 -7.466 390 HB3 GLN 50 2HB GLN 50 -5.978 -6.035 -6.296 391 HG2 GLN 50 1HG GLN 50 -6.580 -8.356 -5.987 392 HG3 GLN 50 2HG GLN 50 -7.111 -7.425 -4.590 393 HE21 GLN 50 2HE2 GLN 50 -8.176 -9.038 -7.524 394 HE22 GLN 50 1HE2 GLN 50 -9.817 -9.264 -7.037 395 H VAL 51 H VAL 51 -6.353 -3.423 -5.012 396 HA VAL 51 HA VAL 51 -6.135 -1.588 -7.308 397 HB VAL 51 HB VAL 51 -6.515 0.432 -5.813 398 HG11 VAL 51 1HG1 VAL 51 -8.294 -0.276 -7.365 399 HG12 VAL 51 2HG1 VAL 51 -8.993 0.367 -5.876 400 HG13 VAL 51 3HG1 VAL 51 -8.945 -1.378 -6.144 401 HG21 VAL 51 3HG2 VAL 51 -6.190 -0.644 -3.619 402 HG22 VAL 51 1HG2 VAL 51 -7.652 -1.605 -3.857 403 HG23 VAL 51 2HG2 VAL 51 -7.763 0.149 -3.693 404 H LYS 52 H LYS 52 -4.266 -0.295 -7.259 405 HA LYS 52 HA LYS 52 -2.359 -0.696 -5.070 406 HB2 LYS 52 1HB LYS 52 -0.524 -1.223 -6.753 407 HB3 LYS 52 2HB LYS 52 -1.702 -2.493 -6.461 408 HG2 LYS 52 1HG LYS 52 -2.846 -1.940 -8.565 409 HG3 LYS 52 2HG LYS 52 -1.679 -0.653 -8.878 410 HD2 LYS 52 1HD LYS 52 -0.869 -3.556 -8.507 411 HD3 LYS 52 2HD LYS 52 -1.283 -2.882 -10.085 412 HE2 LYS 52 1HE LYS 52 0.959 -1.898 -8.286 413 HE3 LYS 52 2HE LYS 52 1.167 -2.941 -9.694 414 HZ1 LYS 52 3HZ LYS 52 0.164 -0.157 -9.674 415 HZ2 LYS 52 1HZ LYS 52 0.176 -1.146 -11.036 416 HZ3 LYS 52 2HZ LYS 52 1.628 -0.706 -10.304 417 H LEU 53 H LEU 53 -1.052 0.882 -4.703 418 HA LEU 53 HA LEU 53 -1.098 3.367 -6.326 419 HG LEU 53 HG LEU 53 -3.105 4.580 -5.079 420 HB2 LEU 53 1HB LEU 53 -1.190 3.022 -3.286 421 HB3 LEU 53 2HB LEU 53 -0.785 4.540 -4.059 422 HD11 LEU 53 1HD1 LEU 53 -3.652 2.233 -3.238 423 HD12 LEU 53 2HD1 LEU 53 -3.714 2.228 -5.001 424 HD13 LEU 53 3HD1 LEU 53 -4.876 3.178 -4.087 425 HD21 LEU 53 3HD2 LEU 53 -2.553 5.885 -3.077 426 HD22 LEU 53 1HD2 LEU 53 -2.993 4.518 -2.048 427 HD23 LEU 53 2HD2 LEU 53 -4.223 5.324 -3.029 428 H THR 54 H THR 54 0.966 4.485 -6.334 429 HA THR 54 HA THR 54 3.274 2.828 -5.469 430 HB THR 54 HB THR 54 4.502 4.092 -7.365 431 HG1 THR 54 HG1 THR 54 3.359 5.281 -8.720 432 HG21 THR 54 3HG2 THR 54 3.905 1.710 -7.556 433 HG22 THR 54 1HG2 THR 54 3.726 2.534 -9.106 434 HG23 THR 54 2HG2 THR 54 2.295 2.153 -8.142 435 H PHE 55 H PHE 55 4.713 3.717 -4.180 436 HA PHE 55 HA PHE 55 4.802 6.628 -3.643 437 HD1 PHE 55 HD2 PHE 55 3.266 7.691 -1.180 438 HD2 PHE 55 HD1 PHE 55 2.515 3.572 -2.062 439 HE1 PHE 55 HE2 PHE 55 0.863 8.049 -0.814 440 HE2 PHE 55 HE1 PHE 55 0.113 3.942 -1.685 441 HZ PHE 55 HZ PHE 55 -0.717 6.173 -1.064 442 HB2 PHE 55 1HB PHE 55 4.810 4.364 -1.576 443 HB3 PHE 55 2HB PHE 55 5.116 6.058 -1.209 444 H GLU 56 H GLU 56 6.908 7.372 -3.034 445 HA GLU 56 HA GLU 56 9.068 5.957 -4.280 446 HB2 GLU 56 1HB GLU 56 9.065 8.503 -2.608 447 HB3 GLU 56 2HB GLU 56 10.481 7.876 -3.453 448 HG2 GLU 56 1HG GLU 56 9.282 8.106 -5.611 449 HG3 GLU 56 2HG GLU 56 7.893 8.785 -4.759 450 H THR 57 H THR 57 7.931 6.138 -0.969 451 HA THR 57 HA THR 57 10.077 4.287 -0.136 452 HB THR 57 HB THR 57 10.249 5.317 2.098 453 HG1 THR 57 HG1 THR 57 9.171 7.273 2.563 454 HG21 THR 57 3HG2 THR 57 11.390 7.443 1.568 455 HG22 THR 57 1HG2 THR 57 10.671 7.436 -0.047 456 HG23 THR 57 2HG2 THR 57 11.833 6.185 0.409 457 H GLN 58 H GLN 58 9.499 2.956 1.687 458 HA GLN 58 HA GLN 58 6.917 1.886 1.816 459 HB2 GLN 58 1HB GLN 58 8.890 0.652 2.580 460 HB3 GLN 58 2HB GLN 58 9.185 1.838 3.846 461 HG2 GLN 58 1HG GLN 58 6.971 1.167 4.868 462 HG3 GLN 58 2HG GLN 58 6.893 -0.140 3.691 463 HE21 GLN 58 2HE2 GLN 58 9.736 -0.736 3.783 464 HE22 GLN 58 1HE2 GLN 58 10.018 -1.499 5.301 465 H GLU 59 H GLU 59 8.500 4.397 3.729 466 HA GLU 59 HA GLU 59 6.810 4.743 5.884 467 HB2 GLU 59 1HB GLU 59 8.224 6.984 4.383 468 HB3 GLU 59 2HB GLU 59 7.739 6.993 6.078 469 HG2 GLU 59 1HG GLU 59 9.389 5.246 6.572 470 HG3 GLU 59 2HG GLU 59 9.846 5.182 4.868 471 H GLN 60 H GLN 60 6.577 6.131 2.647 472 HA GLN 60 HA GLN 60 4.328 7.836 3.085 473 HB2 GLN 60 1HB GLN 60 5.469 6.637 0.526 474 HB3 GLN 60 2HB GLN 60 4.276 7.932 0.579 475 HG2 GLN 60 1HG GLN 60 5.844 9.482 1.470 476 HG3 GLN 60 2HG GLN 60 6.998 8.211 1.864 477 HE21 GLN 60 2HE2 GLN 60 8.659 9.170 0.707 478 HE22 GLN 60 1HE2 GLN 60 8.690 9.250 -1.019 479 H ALA 61 H ALA 61 4.650 4.405 2.079 480 HA ALA 61 HA ALA 61 1.947 4.136 1.125 481 HB1 ALA 61 3HB ALA 61 3.794 2.801 0.191 482 HB2 ALA 61 1HB ALA 61 2.544 1.755 0.870 483 HB3 ALA 61 2HB ALA 61 4.048 2.028 1.759 484 H GLU 62 H GLU 62 3.718 3.200 4.058 485 HA GLU 62 HA GLU 62 1.515 2.002 5.371 486 HB2 GLU 62 1HB GLU 62 2.855 2.031 7.404 487 HB3 GLU 62 2HB GLU 62 3.830 1.507 6.041 488 HG2 GLU 62 1HG GLU 62 4.884 3.721 5.936 489 HG3 GLU 62 2HG GLU 62 3.885 4.274 7.277 490 H ALA 63 H ALA 63 2.826 5.324 5.427 491 HA ALA 63 HA ALA 63 1.197 6.509 7.306 492 HB1 ALA 63 3HB ALA 63 2.119 7.721 4.681 493 HB2 ALA 63 1HB ALA 63 3.053 7.660 6.175 494 HB3 ALA 63 2HB ALA 63 1.575 8.622 6.100 495 H TYR 64 H TYR 64 0.420 5.728 3.919 496 HA TYR 64 HA TYR 64 -2.100 7.011 3.736 497 HD1 TYR 64 HD1 TYR 64 -2.971 7.389 0.867 498 HD2 TYR 64 HD2 TYR 64 -3.005 3.252 1.898 499 HE1 TYR 64 HE1 TYR 64 -5.070 7.104 -0.370 500 HE2 TYR 64 HE2 TYR 64 -5.099 2.957 0.655 501 HH TYR 64 HH TYR 64 -6.908 4.130 -0.243 502 HB2 TYR 64 1HB TYR 64 -0.903 6.278 1.726 503 HB3 TYR 64 2HB TYR 64 -0.963 4.601 2.247 504 H ALA 65 H ALA 65 -1.320 3.561 4.177 505 HA ALA 65 HA ALA 65 -3.820 2.519 4.676 506 HB1 ALA 65 3HB ALA 65 -1.174 1.564 5.823 507 HB2 ALA 65 1HB ALA 65 -1.815 1.163 4.227 508 HB3 ALA 65 2HB ALA 65 -2.648 0.602 5.678 509 H GLN 66 H GLN 66 -1.499 3.738 7.093 510 HA GLN 66 HA GLN 66 -2.949 3.159 9.429 511 HB2 GLN 66 1HB GLN 66 -0.767 5.212 8.894 512 HB3 GLN 66 2HB GLN 66 -1.443 4.943 10.500 513 HG2 GLN 66 1HG GLN 66 -0.678 2.607 10.445 514 HG3 GLN 66 2HG GLN 66 -0.029 2.844 8.823 515 HE21 GLN 66 2HE2 GLN 66 1.875 4.097 8.578 516 HE22 GLN 66 1HE2 GLN 66 2.911 4.446 9.910 517 H ARG 67 H ARG 67 -2.784 6.164 7.483 518 HA ARG 67 HA ARG 67 -4.476 7.801 9.021 519 HE ARG 67 HE ARG 67 -6.323 11.491 5.832 520 HB2 ARG 67 1HB ARG 67 -3.045 8.729 7.271 521 HB3 ARG 67 2HB ARG 67 -3.881 7.797 6.033 522 HG2 ARG 67 1HG ARG 67 -5.920 9.119 6.375 523 HG3 ARG 67 2HG ARG 67 -5.139 10.027 7.669 524 HD2 ARG 67 1HD ARG 67 -3.596 11.049 6.107 525 HD3 ARG 67 2HD ARG 67 -4.143 9.995 4.798 526 HH11 ARG 67 1HH1 ARG 67 -3.460 11.979 3.834 527 HH12 ARG 67 2HH1 ARG 67 -4.192 13.246 2.904 528 HH21 ARG 67 1HH2 ARG 67 -7.245 13.150 4.609 529 HH22 ARG 67 2HH2 ARG 67 -6.326 13.924 3.354 530 H LYS 68 H LYS 68 -5.201 5.293 6.633 531 HA LYS 68 HA LYS 68 -8.048 5.940 6.485 532 HB2 LYS 68 1HB LYS 68 -6.385 3.740 5.200 533 HB3 LYS 68 2HB LYS 68 -8.106 3.975 4.916 534 HG2 LYS 68 1HG LYS 68 -5.907 5.943 4.202 535 HG3 LYS 68 2HG LYS 68 -6.764 4.880 3.080 536 HD2 LYS 68 1HD LYS 68 -8.915 6.045 3.720 537 HD3 LYS 68 2HD LYS 68 -7.962 7.177 4.687 538 HE2 LYS 68 1HE LYS 68 -8.485 8.169 2.525 539 HE3 LYS 68 2HE LYS 68 -6.750 7.865 2.619 540 HZ1 LYS 68 3HZ LYS 68 -8.779 6.266 1.166 541 HZ2 LYS 68 1HZ LYS 68 -7.180 5.769 1.382 542 HZ3 LYS 68 2HZ LYS 68 -7.517 7.168 0.499 543 H GLY 69 H GLY 69 -5.941 3.926 8.359 544 HA2 GLY 69 1HA GLY 69 -6.494 2.602 10.193 545 HA3 GLY 69 2HA GLY 69 -8.176 2.563 9.683 546 H ILE 70 H ILE 70 -6.407 1.951 7.003 547 HA ILE 70 HA ILE 70 -7.057 -0.787 6.756 548 HB ILE 70 HB ILE 70 -4.843 0.642 5.215 549 HG12 ILE 70 1HG1 ILE 70 -7.776 0.285 4.442 550 HG13 ILE 70 2HG1 ILE 70 -7.065 1.790 5.014 551 HG21 ILE 70 1HG2 ILE 70 -5.198 -1.091 3.471 552 HG22 ILE 70 2HG2 ILE 70 -6.370 -1.902 4.514 553 HG23 ILE 70 3HG2 ILE 70 -4.676 -1.805 4.996 554 HD11 ILE 70 3HD1 ILE 70 -5.614 1.860 3.037 555 HD12 ILE 70 1HD1 ILE 70 -7.322 1.797 2.604 556 HD13 ILE 70 2HD1 ILE 70 -6.329 0.348 2.463 557 H GLU 71 H GLU 71 -6.357 -2.300 8.087 558 HA GLU 71 HA GLU 71 -3.811 -2.485 9.351 559 HB2 GLU 71 1HB GLU 71 -4.291 -4.970 9.519 560 HB3 GLU 71 2HB GLU 71 -5.544 -3.942 10.211 561 HG2 GLU 71 1HG GLU 71 -6.962 -4.314 8.259 562 HG3 GLU 71 2HG GLU 71 -5.677 -5.210 7.458 563 H TYR 72 H TYR 72 -1.808 -3.401 8.597 564 HA TYR 72 HA TYR 72 -1.682 -4.342 5.822 565 HD1 TYR 72 HD1 TYR 72 -1.481 -0.768 8.071 566 HD2 TYR 72 HD2 TYR 72 2.079 -2.222 6.207 567 HE1 TYR 72 HE1 TYR 72 -0.117 0.558 9.626 568 HE2 TYR 72 HE2 TYR 72 3.441 -0.892 7.751 569 HH TYR 72 HH TYR 72 3.239 1.095 9.152 570 HB2 TYR 72 1HB TYR 72 -0.060 -2.634 5.156 571 HB3 TYR 72 2HB TYR 72 -1.511 -1.837 5.747 572 H ARG 73 H ARG 73 0.167 -5.491 5.328 573 HA ARG 73 HA ARG 73 2.232 -5.900 7.413 574 HE ARG 73 HE ARG 73 5.110 -9.715 6.724 575 HB2 ARG 73 1HB ARG 73 0.742 -7.888 7.191 576 HB3 ARG 73 2HB ARG 73 1.096 -7.976 5.473 577 HG2 ARG 73 1HG ARG 73 3.375 -8.168 7.453 578 HG3 ARG 73 2HG ARG 73 2.328 -9.562 7.212 579 HD2 ARG 73 1HD ARG 73 2.889 -9.632 4.838 580 HD3 ARG 73 2HD ARG 73 3.835 -8.150 4.988 581 HH11 ARG 73 1HH1 ARG 73 3.994 -10.535 3.493 582 HH12 ARG 73 2HH1 ARG 73 5.336 -11.582 3.163 583 HH21 ARG 73 1HH2 ARG 73 6.865 -11.104 6.283 584 HH22 ARG 73 2HH2 ARG 73 6.968 -11.903 4.745 585 H VAL 74 H VAL 74 4.327 -5.814 6.696 586 HA VAL 74 HA VAL 74 4.761 -4.824 3.945 587 HB VAL 74 HB VAL 74 6.532 -4.505 6.408 588 HG11 VAL 74 1HG1 VAL 74 6.811 -3.214 3.655 589 HG12 VAL 74 2HG1 VAL 74 7.859 -4.474 4.314 590 HG13 VAL 74 3HG1 VAL 74 7.824 -2.877 5.061 591 HG21 VAL 74 3HG2 VAL 74 5.817 -2.131 6.405 592 HG22 VAL 74 1HG2 VAL 74 4.443 -3.216 6.652 593 HG23 VAL 74 2HG2 VAL 74 4.704 -2.462 5.077 594 H ILE 75 H ILE 75 6.067 -5.833 2.609 595 HA ILE 75 HA ILE 75 7.661 -8.190 3.367 596 HB ILE 75 HB ILE 75 6.795 -7.469 0.510 597 HG12 ILE 75 1HG1 ILE 75 5.066 -9.434 0.824 598 HG13 ILE 75 2HG1 ILE 75 5.211 -9.098 2.543 599 HG21 ILE 75 1HG2 ILE 75 7.287 -9.849 0.037 600 HG22 ILE 75 2HG2 ILE 75 7.755 -10.088 1.721 601 HG23 ILE 75 3HG2 ILE 75 8.693 -9.003 0.693 602 HD11 ILE 75 3HD1 ILE 75 4.389 -6.825 2.155 603 HD12 ILE 75 1HD1 ILE 75 3.260 -8.048 1.573 604 HD13 ILE 75 2HD1 ILE 75 4.267 -7.166 0.426 605 H LEU 76 H LEU 76 9.847 -8.241 2.563 606 HA LEU 76 HA LEU 76 11.154 -5.729 2.057 607 HG LEU 76 HG LEU 76 11.681 -7.881 4.301 608 HB2 LEU 76 1HB LEU 76 12.168 -8.596 1.992 609 HB3 LEU 76 2HB LEU 76 13.202 -7.197 1.754 610 HD11 LEU 76 1HD1 LEU 76 13.895 -8.220 5.289 611 HD12 LEU 76 2HD1 LEU 76 14.658 -7.908 3.727 612 HD13 LEU 76 3HD1 LEU 76 13.616 -9.317 3.939 613 HD21 LEU 76 3HD2 LEU 76 12.820 -5.944 5.321 614 HD22 LEU 76 1HD2 LEU 76 11.748 -5.454 4.014 615 HD23 LEU 76 2HD2 LEU 76 13.492 -5.501 3.751 616 HA PRO 77 HA PRO 77 10.966 -5.398 -2.386 617 HB2 PRO 77 1HB PRO 77 13.499 -4.520 -3.068 618 HB3 PRO 77 2HB PRO 77 12.291 -3.503 -2.279 619 HG2 PRO 77 1HG PRO 77 14.557 -5.047 -1.026 620 HG3 PRO 77 2HG PRO 77 14.079 -3.357 -0.753 621 HD2 PRO 77 1HD PRO 77 13.358 -5.270 0.978 622 HD3 PRO 77 2HD PRO 77 12.226 -3.965 0.568 623 H LYS 78 H LYS 78 11.812 -6.147 -4.477 624 HA LYS 78 HA LYS 78 12.733 -8.832 -4.602 625 HB2 LYS 78 1HB LYS 78 12.997 -8.312 -7.124 626 HB3 LYS 78 2HB LYS 78 11.395 -8.151 -6.430 627 HG2 LYS 78 1HG LYS 78 11.663 -6.329 -7.911 628 HG3 LYS 78 2HG LYS 78 11.787 -5.662 -6.284 629 HD2 LYS 78 1HD LYS 78 14.277 -5.629 -6.530 630 HD3 LYS 78 2HD LYS 78 14.104 -6.231 -8.181 631 HE2 LYS 78 1HE LYS 78 12.857 -4.194 -8.788 632 HE3 LYS 78 2HE LYS 78 13.004 -3.605 -7.129 633 HZ1 LYS 78 3HZ LYS 78 14.629 -2.731 -8.803 634 HZ2 LYS 78 1HZ LYS 78 15.358 -4.256 -8.787 635 HZ3 LYS 78 2HZ LYS 78 15.291 -3.328 -7.367 636 H GLU 79 H GLU 79 14.391 -5.867 -4.279 637 HA GLU 79 HA GLU 79 17.002 -6.906 -5.144 638 HB2 GLU 79 1HB GLU 79 17.740 -4.528 -4.862 639 HB3 GLU 79 2HB GLU 79 16.397 -4.709 -5.986 640 HG2 GLU 79 1HG GLU 79 14.830 -4.019 -4.154 641 HG3 GLU 79 2HG GLU 79 16.229 -3.710 -3.130 642 H ALA 80 H ALA 80 15.323 -7.446 -2.506 643 HA ALA 80 HA ALA 80 16.923 -6.473 -0.345 644 HB1 ALA 80 3HB ALA 80 15.612 -7.976 1.074 645 HB2 ALA 80 1HB ALA 80 14.940 -8.770 -0.357 646 HB3 ALA 80 2HB ALA 80 14.562 -7.079 -0.026 Start of MODEL 4 1 H MET 1 H MET 1 -10.880 -4.513 7.063 2 HA MET 1 HA MET 1 -9.381 -6.263 6.385 3 HB2 MET 1 1HB MET 1 -9.542 -4.110 4.226 4 HB3 MET 1 2HB MET 1 -9.474 -5.857 3.981 5 HG2 MET 1 1HG MET 1 -11.769 -4.223 5.088 6 HG3 MET 1 2HG MET 1 -11.730 -5.184 3.605 7 HE1 MET 1 3HE MET 1 -14.255 -6.961 6.229 8 HE2 MET 1 1HE MET 1 -14.192 -6.092 4.695 9 HE3 MET 1 2HE MET 1 -13.882 -5.238 6.208 10 H SER 2 H SER 2 -7.411 -6.283 4.512 11 HA SER 2 HA SER 2 -5.142 -5.043 5.976 12 HG SER 2 HG SER 2 -4.961 -7.246 7.398 13 HB2 SER 2 1HB SER 2 -5.196 -7.775 4.636 14 HB3 SER 2 2HB SER 2 -3.832 -7.074 5.508 15 H ALA 3 H ALA 3 -3.645 -3.980 4.832 16 HA ALA 3 HA ALA 3 -3.813 -3.901 1.875 17 HB1 ALA 3 3HB ALA 3 -4.066 -1.699 2.940 18 HB2 ALA 3 1HB ALA 3 -2.558 -1.776 2.023 19 HB3 ALA 3 2HB ALA 3 -2.531 -1.908 3.788 20 H LYS 4 H LYS 4 -1.928 -4.306 0.710 21 HA LYS 4 HA LYS 4 0.344 -5.529 2.122 22 HB2 LYS 4 1HB LYS 4 0.765 -6.768 0.007 23 HB3 LYS 4 2HB LYS 4 -0.848 -7.103 0.635 24 HG2 LYS 4 1HG LYS 4 -1.776 -5.444 -0.992 25 HG3 LYS 4 2HG LYS 4 -0.157 -5.236 -1.650 26 HD2 LYS 4 1HD LYS 4 -1.324 -6.706 -3.117 27 HD3 LYS 4 2HD LYS 4 -0.159 -7.697 -2.236 28 HE2 LYS 4 1HE LYS 4 -1.891 -8.635 -0.858 29 HE3 LYS 4 2HE LYS 4 -3.072 -7.445 -1.412 30 HZ1 LYS 4 3HZ LYS 4 -1.829 -9.555 -3.091 31 HZ2 LYS 4 1HZ LYS 4 -2.948 -8.403 -3.622 32 HZ3 LYS 4 2HZ LYS 4 -3.404 -9.569 -2.484 33 H ILE 5 H ILE 5 2.153 -4.349 2.087 34 HA ILE 5 HA ILE 5 2.585 -2.302 -0.002 35 HB ILE 5 HB ILE 5 4.115 -2.635 2.631 36 HG12 ILE 5 1HG1 ILE 5 2.116 -0.478 1.852 37 HG13 ILE 5 2HG1 ILE 5 1.749 -1.811 2.936 38 HG21 ILE 5 1HG2 ILE 5 4.284 -0.472 0.479 39 HG22 ILE 5 2HG2 ILE 5 5.523 -1.675 0.852 40 HG23 ILE 5 3HG2 ILE 5 5.123 -0.430 2.030 41 HD11 ILE 5 3HD1 ILE 5 3.475 -0.959 4.485 42 HD12 ILE 5 1HD1 ILE 5 2.179 0.193 4.174 43 HD13 ILE 5 2HD1 ILE 5 3.742 0.405 3.393 44 H TYR 6 H TYR 6 3.875 -2.883 -1.544 45 HA TYR 6 HA TYR 6 6.256 -4.504 -1.093 46 HD1 TYR 6 HD2 TYR 6 2.280 -4.928 -1.898 47 HD2 TYR 6 HD1 TYR 6 4.856 -5.730 -5.225 48 HE1 TYR 6 HE2 TYR 6 0.394 -4.630 -3.430 49 HE2 TYR 6 HE1 TYR 6 2.947 -5.446 -6.752 50 HH TYR 6 HH TYR 6 -0.031 -4.088 -5.775 51 HB2 TYR 6 1HB TYR 6 5.720 -6.018 -3.010 52 HB3 TYR 6 2HB TYR 6 4.594 -6.219 -1.682 53 H ARG 7 H ARG 7 7.461 -4.572 -3.293 54 HA ARG 7 HA ARG 7 6.906 -2.256 -5.011 55 HE ARG 7 HE ARG 7 10.703 0.658 -6.558 56 HB2 ARG 7 1HB ARG 7 8.567 -1.458 -3.324 57 HB3 ARG 7 2HB ARG 7 9.640 -2.781 -3.758 58 HG2 ARG 7 1HG ARG 7 9.852 -1.847 -6.055 59 HG3 ARG 7 2HG ARG 7 8.775 -0.532 -5.611 60 HD2 ARG 7 1HD ARG 7 10.403 0.257 -3.941 61 HD3 ARG 7 2HD ARG 7 11.482 -1.087 -4.354 62 HH11 ARG 7 1HH1 ARG 7 13.160 0.024 -4.128 63 HH12 ARG 7 2HH1 ARG 7 14.418 0.793 -5.036 64 HH21 ARG 7 1HH2 ARG 7 12.343 1.671 -7.726 65 HH22 ARG 7 2HH2 ARG 7 13.950 1.738 -7.081 66 HA PRO 8 HA PRO 8 7.684 -6.088 -7.342 67 HB2 PRO 8 1HB PRO 8 6.213 -5.461 -9.558 68 HB3 PRO 8 2HB PRO 8 5.473 -6.014 -8.050 69 HG2 PRO 8 1HG PRO 8 5.733 -3.216 -9.121 70 HG3 PRO 8 2HG PRO 8 4.347 -3.976 -8.310 71 HD2 PRO 8 1HD PRO 8 6.124 -2.293 -7.046 72 HD3 PRO 8 2HD PRO 8 5.204 -3.557 -6.201 73 H ALA 9 H ALA 9 8.949 -6.613 -9.173 74 HA ALA 9 HA ALA 9 11.027 -4.925 -9.979 75 HB1 ALA 9 3HB ALA 9 9.914 -7.363 -11.415 76 HB2 ALA 9 1HB ALA 9 11.165 -7.367 -10.166 77 HB3 ALA 9 2HB ALA 9 11.485 -6.619 -11.736 78 H LYS 10 H LYS 10 7.836 -5.439 -11.293 79 HA LYS 10 HA LYS 10 8.069 -3.014 -12.941 80 HB2 LYS 10 1HB LYS 10 6.595 -4.132 -14.655 81 HB3 LYS 10 2HB LYS 10 8.223 -4.785 -14.566 82 HG2 LYS 10 1HG LYS 10 7.444 -6.743 -13.361 83 HG3 LYS 10 2HG LYS 10 5.809 -6.086 -13.246 84 HD2 LYS 10 1HD LYS 10 7.240 -6.858 -15.823 85 HD3 LYS 10 2HD LYS 10 5.984 -7.805 -15.020 86 HE2 LYS 10 1HE LYS 10 4.349 -6.004 -15.416 87 HE3 LYS 10 2HE LYS 10 5.603 -5.005 -16.154 88 HZ1 LYS 10 3HZ LYS 10 5.853 -6.688 -17.873 89 HZ2 LYS 10 1HZ LYS 10 4.280 -6.076 -17.816 90 HZ3 LYS 10 2HZ LYS 10 4.614 -7.599 -17.172 91 H THR 11 H THR 11 6.695 -1.610 -12.057 92 HA THR 11 HA THR 11 4.418 -2.315 -10.437 93 HB THR 11 HB THR 11 4.004 0.211 -10.508 94 HG1 THR 11 HG1 THR 11 5.434 1.484 -11.601 95 HG21 THR 11 3HG2 THR 11 5.976 0.806 -9.152 96 HG22 THR 11 1HG2 THR 11 6.807 -0.654 -9.699 97 HG23 THR 11 2HG2 THR 11 5.363 -0.783 -8.695 98 H ALA 12 H ALA 12 5.007 -1.629 -13.752 99 HA ALA 12 HA ALA 12 2.436 -2.556 -14.617 100 HB1 ALA 12 3HB ALA 12 3.197 0.354 -15.169 101 HB2 ALA 12 1HB ALA 12 1.867 -0.183 -14.142 102 HB3 ALA 12 2HB ALA 12 1.822 -0.498 -15.876 103 H MET 13 H MET 13 2.672 -1.628 -17.321 104 HA MET 13 HA MET 13 4.890 -3.092 -18.379 105 HB2 MET 13 1HB MET 13 3.136 -0.987 -19.731 106 HB3 MET 13 2HB MET 13 4.208 -2.110 -20.563 107 HG2 MET 13 1HG MET 13 2.845 -3.999 -19.805 108 HG3 MET 13 2HG MET 13 1.798 -2.900 -18.900 109 HE1 MET 13 3HE MET 13 -0.356 -3.898 -20.086 110 HE2 MET 13 1HE MET 13 0.651 -5.024 -20.997 111 HE3 MET 13 2HE MET 13 -0.542 -4.031 -21.837 112 H GLN 14 H GLN 14 6.969 -2.450 -18.182 113 HA GLN 14 HA GLN 14 7.621 0.446 -17.985 114 HB2 GLN 14 1HB GLN 14 8.791 -1.924 -16.464 115 HB3 GLN 14 2HB GLN 14 9.513 -0.320 -16.451 116 HG2 GLN 14 1HG GLN 14 6.715 -0.970 -15.462 117 HG3 GLN 14 2HG GLN 14 8.138 -0.791 -14.433 118 HE21 GLN 14 2HE2 GLN 14 5.820 0.899 -16.449 119 HE22 GLN 14 1HE2 GLN 14 6.212 2.494 -15.906 120 H SER 15 H SER 15 7.658 -0.250 -20.473 121 HA SER 15 HA SER 15 10.521 -0.242 -21.148 122 HG SER 15 HG SER 15 7.726 -1.680 -23.016 123 HB2 SER 15 1HB SER 15 10.036 -1.799 -23.116 124 HB3 SER 15 2HB SER 15 9.990 -2.558 -21.527 125 H GLY 16 H GLY 16 10.842 1.609 -22.195 126 HA2 GLY 16 1HA GLY 16 10.657 3.278 -23.784 127 HA3 GLY 16 2HA GLY 16 9.226 2.485 -24.431 128 H THR 17 H THR 17 9.448 3.245 -21.026 129 HA THR 17 HA THR 17 7.714 5.614 -21.257 130 HB THR 17 HB THR 17 6.180 3.639 -21.151 131 HG1 THR 17 HG1 THR 17 5.824 4.726 -18.614 132 HG21 THR 17 3HG2 THR 17 7.446 3.085 -18.441 133 HG22 THR 17 1HG2 THR 17 7.612 2.078 -19.885 134 HG23 THR 17 2HG2 THR 17 6.035 2.264 -19.113 135 H ALA 18 H ALA 18 7.234 6.395 -18.869 136 HA ALA 18 HA ALA 18 9.633 7.071 -17.574 137 HB1 ALA 18 3HB ALA 18 7.594 8.438 -17.405 138 HB2 ALA 18 1HB ALA 18 8.194 8.014 -15.798 139 HB3 ALA 18 2HB ALA 18 6.799 7.166 -16.476 140 H LYS 19 H LYS 19 10.801 6.102 -16.003 141 HA LYS 19 HA LYS 19 10.174 3.457 -15.041 142 HB2 LYS 19 1HB LYS 19 12.402 5.367 -14.211 143 HB3 LYS 19 2HB LYS 19 12.305 3.667 -13.765 144 HG2 LYS 19 1HG LYS 19 12.431 4.513 -16.677 145 HG3 LYS 19 2HG LYS 19 13.891 4.390 -15.702 146 HD2 LYS 19 1HD LYS 19 13.703 2.339 -16.902 147 HD3 LYS 19 2HD LYS 19 13.282 1.972 -15.233 148 HE2 LYS 19 1HE LYS 19 10.905 1.900 -15.825 149 HE3 LYS 19 2HE LYS 19 11.272 2.396 -17.481 150 HZ1 LYS 19 3HZ LYS 19 12.143 -0.115 -16.170 151 HZ2 LYS 19 1HZ LYS 19 12.545 0.353 -17.740 152 HZ3 LYS 19 2HZ LYS 19 10.939 0.030 -17.348 153 H THR 20 H THR 20 8.242 3.740 -13.997 154 HA THR 20 HA THR 20 8.124 5.368 -11.540 155 HB THR 20 HB THR 20 6.338 5.726 -13.227 156 HG1 THR 20 HG1 THR 20 5.983 5.671 -10.788 157 HG21 THR 20 3HG2 THR 20 4.621 4.016 -13.669 158 HG22 THR 20 1HG2 THR 20 5.540 2.838 -12.725 159 HG23 THR 20 2HG2 THR 20 6.207 3.479 -14.229 160 H ASN 21 H ASN 21 9.669 2.902 -11.765 161 HA ASN 21 HA ASN 21 8.362 0.724 -10.447 162 HB2 ASN 21 1HB ASN 21 11.353 1.305 -10.716 163 HB3 ASN 21 2HB ASN 21 10.639 -0.243 -10.276 164 HD21 ASN 21 2HD2 ASN 21 9.696 -1.525 -11.901 165 HD22 ASN 21 1HD2 ASN 21 9.917 -1.190 -13.580 166 H VAL 22 H VAL 22 7.378 1.931 -8.723 167 HA VAL 22 HA VAL 22 9.102 2.622 -6.412 168 HB VAL 22 HB VAL 22 7.318 4.251 -5.735 169 HG11 VAL 22 1HG1 VAL 22 9.277 5.091 -6.932 170 HG12 VAL 22 2HG1 VAL 22 7.844 6.013 -7.391 171 HG13 VAL 22 3HG1 VAL 22 8.493 4.785 -8.485 172 HG21 VAL 22 3HG2 VAL 22 5.395 3.243 -6.906 173 HG22 VAL 22 1HG2 VAL 22 6.092 3.687 -8.466 174 HG23 VAL 22 2HG2 VAL 22 5.570 4.944 -7.340 175 H TRP 23 H TRP 23 6.982 2.862 -4.535 176 HA TRP 23 HA TRP 23 6.612 0.010 -4.001 177 HD1 TRP 23 HD1 TRP 23 9.007 2.893 -2.869 178 HE1 TRP 23 HE1 TRP 23 11.087 1.897 -1.746 179 HE3 TRP 23 HE3 TRP 23 6.848 -1.155 -0.586 180 HZ2 TRP 23 HZ2 TRP 23 11.743 -0.310 -0.110 181 HZ3 TRP 23 HZ3 TRP 23 8.275 -2.665 0.743 182 HH2 TRP 23 HH2 TRP 23 10.677 -2.250 0.976 183 HB2 TRP 23 1HB TRP 23 6.307 2.472 -2.228 184 HB3 TRP 23 2HB TRP 23 5.918 0.834 -1.706 185 H VAL 24 H VAL 24 4.655 -0.894 -4.143 186 HA VAL 24 HA VAL 24 2.323 0.793 -4.779 187 HB VAL 24 HB VAL 24 2.718 -2.223 -5.128 188 HG11 VAL 24 1HG1 VAL 24 0.601 -2.182 -6.421 189 HG12 VAL 24 2HG1 VAL 24 0.391 -0.472 -6.028 190 HG13 VAL 24 3HG1 VAL 24 0.338 -1.685 -4.747 191 HG21 VAL 24 3HG2 VAL 24 2.678 -0.011 -7.223 192 HG22 VAL 24 1HG2 VAL 24 2.805 -1.743 -7.548 193 HG23 VAL 24 2HG2 VAL 24 4.105 -0.909 -6.697 194 H LEU 25 H LEU 25 0.596 0.849 -3.472 195 HA LEU 25 HA LEU 25 0.415 -0.824 -1.052 196 HG LEU 25 HG LEU 25 -0.828 2.217 0.964 197 HB2 LEU 25 1HB LEU 25 0.818 1.624 -0.627 198 HB3 LEU 25 2HB LEU 25 -0.607 2.029 -1.559 199 HD11 LEU 25 1HD1 LEU 25 -3.071 1.325 1.153 200 HD12 LEU 25 2HD1 LEU 25 -2.834 0.333 -0.289 201 HD13 LEU 25 3HD1 LEU 25 -2.837 2.095 -0.419 202 HD21 LEU 25 3HD2 LEU 25 -1.148 0.210 2.312 203 HD22 LEU 25 1HD2 LEU 25 0.465 0.251 1.605 204 HD23 LEU 25 2HD2 LEU 25 -0.769 -0.810 0.923 205 H GLU 26 H GLU 26 -0.864 -2.379 -1.710 206 HA GLU 26 HA GLU 26 -3.372 -1.699 -3.181 207 HB2 GLU 26 1HB GLU 26 -1.960 -3.367 -4.391 208 HB3 GLU 26 2HB GLU 26 -2.029 -4.439 -2.998 209 HG2 GLU 26 1HG GLU 26 -4.467 -4.638 -3.244 210 HG3 GLU 26 2HG GLU 26 -4.429 -3.522 -4.609 211 H PHE 27 H PHE 27 -5.262 -2.057 -2.132 212 HA PHE 27 HA PHE 27 -5.188 -3.387 0.527 213 HD1 PHE 27 HD2 PHE 27 -5.432 0.408 -1.337 214 HD2 PHE 27 HD1 PHE 27 -9.012 -1.481 0.057 215 HE1 PHE 27 HE2 PHE 27 -6.769 1.788 -2.870 216 HE2 PHE 27 HE1 PHE 27 -10.331 -0.094 -1.479 217 HZ PHE 27 HZ PHE 27 -9.217 1.540 -2.941 218 HB2 PHE 27 1HB PHE 27 -6.896 -1.758 1.278 219 HB3 PHE 27 2HB PHE 27 -5.434 -0.934 0.755 220 H ASP 28 H ASP 28 -7.391 -4.092 1.238 221 HA ASP 28 HA ASP 28 -8.601 -5.645 -0.964 222 HB2 ASP 28 1HB ASP 28 -7.567 -7.058 0.807 223 HB3 ASP 28 2HB ASP 28 -8.521 -6.228 2.032 224 H ALA 29 H ALA 29 -10.034 -4.050 -1.587 225 HA ALA 29 HA ALA 29 -11.543 -2.360 0.063 226 HB1 ALA 29 3HB ALA 29 -12.995 -2.010 -1.886 227 HB2 ALA 29 1HB ALA 29 -12.261 -3.403 -2.691 228 HB3 ALA 29 2HB ALA 29 -11.290 -1.976 -2.333 229 H GLU 30 H GLU 30 -13.442 -2.628 1.132 230 HA GLU 30 HA GLU 30 -14.503 -5.342 1.486 231 HB2 GLU 30 1HB GLU 30 -15.658 -4.315 3.454 232 HB3 GLU 30 2HB GLU 30 -13.907 -4.114 3.493 233 HG2 GLU 30 1HG GLU 30 -14.182 -1.790 2.645 234 HG3 GLU 30 2HG GLU 30 -15.934 -1.997 2.695 235 H VAL 31 H VAL 31 -15.106 -4.052 -1.019 236 HA VAL 31 HA VAL 31 -18.000 -3.551 -0.818 237 HB VAL 31 HB VAL 31 -16.916 -1.339 -0.761 238 HG11 VAL 31 1HG1 VAL 31 -14.811 -1.805 -1.938 239 HG12 VAL 31 2HG1 VAL 31 -15.630 -0.406 -2.642 240 HG13 VAL 31 3HG1 VAL 31 -15.688 -1.971 -3.461 241 HG21 VAL 31 3HG2 VAL 31 -19.108 -1.534 -1.821 242 HG22 VAL 31 1HG2 VAL 31 -18.349 -1.854 -3.382 243 HG23 VAL 31 2HG2 VAL 31 -18.157 -0.277 -2.614 244 HA PRO 32 HA PRO 32 -17.586 -6.451 -4.349 245 HB2 PRO 32 1HB PRO 32 -20.102 -7.426 -4.300 246 HB3 PRO 32 2HB PRO 32 -18.944 -7.834 -3.026 247 HG2 PRO 32 1HG PRO 32 -21.127 -5.755 -2.999 248 HG3 PRO 32 2HG PRO 32 -20.724 -6.962 -1.759 249 HD2 PRO 32 1HD PRO 32 -19.874 -4.344 -1.643 250 HD3 PRO 32 2HD PRO 32 -18.983 -5.694 -0.908 251 H ARG 33 H ARG 33 -19.821 -6.841 -5.996 252 HA ARG 33 HA ARG 33 -19.663 -5.077 -8.027 253 HE ARG 33 HE ARG 33 -24.110 -8.347 -5.605 254 HB2 ARG 33 1HB ARG 33 -21.909 -5.926 -8.783 255 HB3 ARG 33 2HB ARG 33 -20.790 -7.195 -8.293 256 HG2 ARG 33 1HG ARG 33 -21.931 -7.391 -6.115 257 HG3 ARG 33 2HG ARG 33 -23.027 -6.084 -6.562 258 HD2 ARG 33 1HD ARG 33 -23.952 -7.482 -8.379 259 HD3 ARG 33 2HD ARG 33 -22.842 -8.789 -7.937 260 HH11 ARG 33 1HH1 ARG 33 -25.427 -8.839 -8.825 261 HH12 ARG 33 2HH1 ARG 33 -26.887 -9.569 -8.241 262 HH21 ARG 33 1HH2 ARG 33 -26.043 -9.280 -4.862 263 HH22 ARG 33 2HH2 ARG 33 -27.247 -9.794 -6.001 264 H LYS 34 H LYS 34 -21.635 -4.524 -5.126 265 HA LYS 34 HA LYS 34 -23.162 -2.334 -6.215 266 HB2 LYS 34 1HB LYS 34 -22.746 -3.221 -3.327 267 HB3 LYS 34 2HB LYS 34 -23.739 -1.843 -3.777 268 HG2 LYS 34 1HG LYS 34 -25.326 -3.520 -3.522 269 HG3 LYS 34 2HG LYS 34 -25.051 -3.520 -5.261 270 HD2 LYS 34 1HD LYS 34 -25.117 -5.812 -4.603 271 HD3 LYS 34 2HD LYS 34 -23.413 -5.442 -4.889 272 HE2 LYS 34 1HE LYS 34 -23.677 -6.772 -2.846 273 HE3 LYS 34 2HE LYS 34 -23.070 -5.162 -2.457 274 HZ1 LYS 34 3HZ LYS 34 -25.311 -4.514 -1.812 275 HZ2 LYS 34 1HZ LYS 34 -24.797 -5.856 -0.924 276 HZ3 LYS 34 2HZ LYS 34 -25.896 -6.053 -2.192 277 H ILE 35 H ILE 35 -21.494 -1.098 -7.153 278 HA ILE 35 HA ILE 35 -20.099 0.791 -5.334 279 HB ILE 35 HB ILE 35 -18.999 -0.453 -7.924 280 HG12 ILE 35 1HG1 ILE 35 -17.949 -0.560 -5.066 281 HG13 ILE 35 2HG1 ILE 35 -18.788 -1.867 -5.887 282 HG21 ILE 35 1HG2 ILE 35 -18.375 1.938 -7.874 283 HG22 ILE 35 2HG2 ILE 35 -16.956 0.925 -7.610 284 HG23 ILE 35 3HG2 ILE 35 -17.718 1.751 -6.247 285 HD11 ILE 35 3HD1 ILE 35 -16.416 -2.258 -5.794 286 HD12 ILE 35 1HD1 ILE 35 -16.101 -0.739 -6.631 287 HD13 ILE 35 2HD1 ILE 35 -16.937 -2.049 -7.464 288 H ASP 36 H ASP 36 -19.844 2.938 -6.287 289 HA ASP 36 HA ASP 36 -21.940 4.272 -7.322 290 HB2 ASP 36 1HB ASP 36 -19.013 4.830 -8.002 291 HB3 ASP 36 2HB ASP 36 -20.324 5.992 -8.173 292 HA PRO 37 HA PRO 37 -22.661 2.650 -11.478 293 HB2 PRO 37 1HB PRO 37 -24.060 4.817 -12.561 294 HB3 PRO 37 2HB PRO 37 -24.772 3.591 -11.506 295 HG2 PRO 37 1HG PRO 37 -23.686 6.315 -10.779 296 HG3 PRO 37 2HG PRO 37 -25.202 5.542 -10.263 297 HD2 PRO 37 1HD PRO 37 -23.091 5.573 -8.626 298 HD3 PRO 37 2HD PRO 37 -24.101 4.113 -8.735 299 H ILE 38 H ILE 38 -20.959 5.598 -10.932 300 HA ILE 38 HA ILE 38 -20.043 6.277 -13.515 301 HB ILE 38 HB ILE 38 -18.689 6.707 -10.813 302 HG12 ILE 38 1HG1 ILE 38 -20.977 7.631 -10.802 303 HG13 ILE 38 2HG1 ILE 38 -19.791 8.927 -10.768 304 HG21 ILE 38 1HG2 ILE 38 -17.095 7.110 -12.614 305 HG22 ILE 38 2HG2 ILE 38 -17.546 8.644 -11.868 306 HG23 ILE 38 3HG2 ILE 38 -18.236 8.186 -13.425 307 HD11 ILE 38 3HD1 ILE 38 -21.652 9.475 -12.205 308 HD12 ILE 38 1HD1 ILE 38 -21.374 8.030 -13.175 309 HD13 ILE 38 2HD1 ILE 38 -20.176 9.332 -13.158 310 H MET 39 H MET 39 -18.840 4.026 -11.067 311 HA MET 39 HA MET 39 -16.775 2.949 -12.891 312 HB2 MET 39 1HB MET 39 -15.118 2.969 -11.041 313 HB3 MET 39 2HB MET 39 -15.646 4.599 -11.436 314 HG2 MET 39 1HG MET 39 -17.090 4.655 -9.478 315 HG3 MET 39 2HG MET 39 -16.706 2.974 -9.106 316 HE1 MET 39 3HE MET 39 -16.016 3.593 -6.602 317 HE2 MET 39 1HE MET 39 -16.462 5.266 -6.929 318 HE3 MET 39 2HE MET 39 -14.899 4.898 -6.199 319 H GLY 40 H GLY 40 -19.441 1.980 -11.902 320 HA2 GLY 40 1HA GLY 40 -18.644 -0.345 -10.216 321 HA3 GLY 40 2HA GLY 40 -20.160 0.516 -10.044 322 H TYR 41 H TYR 41 -21.166 0.731 -12.508 323 HA TYR 41 HA TYR 41 -22.344 -1.771 -12.959 324 HD1 TYR 41 HD1 TYR 41 -24.862 -1.935 -13.975 325 HD2 TYR 41 HD2 TYR 41 -22.551 -0.039 -17.031 326 HE1 TYR 41 HE1 TYR 41 -26.114 -3.169 -15.690 327 HE2 TYR 41 HE2 TYR 41 -23.804 -1.268 -18.747 328 HH TYR 41 HH TYR 41 -25.141 -3.325 -18.951 329 HB2 TYR 41 1HB TYR 41 -23.513 0.285 -13.582 330 HB3 TYR 41 2HB TYR 41 -22.276 0.684 -14.767 331 H THR 42 H THR 42 -21.026 -3.399 -13.414 332 HA THR 42 HA THR 42 -20.004 -4.974 -14.563 333 HB THR 42 HB THR 42 -19.901 -4.979 -17.051 334 HG1 THR 42 HG1 THR 42 -19.854 -2.458 -16.992 335 HG21 THR 42 3HG2 THR 42 -21.929 -5.781 -15.881 336 HG22 THR 42 1HG2 THR 42 -22.342 -5.015 -17.417 337 HG23 THR 42 2HG2 THR 42 -22.598 -4.146 -15.902 338 H SER 43 H SER 43 -18.568 -1.804 -14.806 339 HA SER 43 HA SER 43 -15.934 -2.648 -15.524 340 HG SER 43 HG SER 43 -14.516 -0.527 -14.044 341 HB2 SER 43 1HB SER 43 -16.805 -0.273 -15.714 342 HB3 SER 43 2HB SER 43 -16.784 -0.161 -13.953 343 H SER 44 H SER 44 -17.848 -2.745 -12.651 344 HA SER 44 HA SER 44 -15.684 -4.101 -11.186 345 HG SER 44 HG SER 44 -15.934 -0.717 -9.892 346 HB2 SER 44 1HB SER 44 -17.598 -2.036 -9.996 347 HB3 SER 44 2HB SER 44 -16.440 -3.005 -9.083 348 H SER 45 H SER 45 -17.262 -5.589 -12.607 349 HA SER 45 HA SER 45 -19.731 -6.373 -11.234 350 HG SER 45 HG SER 45 -20.081 -8.803 -13.812 351 HB2 SER 45 1HB SER 45 -19.571 -6.260 -13.742 352 HB3 SER 45 2HB SER 45 -18.394 -7.568 -13.708 353 H ASP 46 H ASP 46 -17.340 -6.715 -9.700 354 HA ASP 46 HA ASP 46 -17.169 -9.645 -9.363 355 HB2 ASP 46 1HB ASP 46 -14.791 -7.720 -9.404 356 HB3 ASP 46 2HB ASP 46 -14.709 -9.379 -8.820 357 H MET 47 H MET 47 -16.261 -10.223 -7.227 358 HA MET 47 HA MET 47 -17.348 -8.575 -5.098 359 HB2 MET 47 1HB MET 47 -16.782 -10.466 -3.598 360 HB3 MET 47 2HB MET 47 -17.774 -10.965 -4.961 361 HG2 MET 47 1HG MET 47 -14.786 -11.413 -4.741 362 HG3 MET 47 2HG MET 47 -16.019 -12.612 -4.368 363 HE1 MET 47 3HE MET 47 -18.167 -12.208 -6.725 364 HE2 MET 47 1HE MET 47 -17.565 -13.788 -6.210 365 HE3 MET 47 2HE MET 47 -17.545 -13.349 -7.918 366 H LYS 48 H LYS 48 -16.150 -6.876 -4.540 367 HA LYS 48 HA LYS 48 -14.654 -5.711 -3.341 368 HB2 LYS 48 1HB LYS 48 -13.185 -8.347 -2.968 369 HB3 LYS 48 2HB LYS 48 -12.883 -6.863 -2.059 370 HG2 LYS 48 1HG LYS 48 -14.975 -6.991 -0.929 371 HG3 LYS 48 2HG LYS 48 -15.597 -8.215 -2.043 372 HD2 LYS 48 1HD LYS 48 -13.998 -9.855 -1.194 373 HD3 LYS 48 2HD LYS 48 -13.276 -8.647 -0.121 374 HE2 LYS 48 1HE LYS 48 -15.481 -8.472 1.063 375 HE3 LYS 48 2HE LYS 48 -16.100 -9.768 0.037 376 HZ1 LYS 48 3HZ LYS 48 -13.789 -10.000 1.886 377 HZ2 LYS 48 1HZ LYS 48 -14.434 -11.238 0.934 378 HZ3 LYS 48 2HZ LYS 48 -15.349 -10.576 2.187 379 H GLN 49 H GLN 49 -13.583 -4.267 -4.554 380 HA GLN 49 HA GLN 49 -11.742 -5.131 -6.666 381 HB2 GLN 49 1HB GLN 49 -11.685 -2.710 -7.302 382 HB3 GLN 49 2HB GLN 49 -13.279 -3.436 -7.372 383 HG2 GLN 49 1HG GLN 49 -13.991 -2.293 -5.369 384 HG3 GLN 49 2HG GLN 49 -12.351 -1.741 -5.038 385 HE21 GLN 49 2HE2 GLN 49 -12.918 0.453 -5.008 386 HE22 GLN 49 1HE2 GLN 49 -13.388 1.316 -6.429 387 H GLN 50 H GLN 50 -9.785 -5.716 -5.817 388 HA GLN 50 HA GLN 50 -8.521 -4.240 -3.665 389 HB2 GLN 50 1HB GLN 50 -7.416 -6.468 -5.435 390 HB3 GLN 50 2HB GLN 50 -6.518 -5.723 -4.119 391 HG2 GLN 50 1HG GLN 50 -7.395 -7.779 -3.285 392 HG3 GLN 50 2HG GLN 50 -8.341 -6.488 -2.543 393 HE21 GLN 50 2HE2 GLN 50 -10.144 -7.744 -2.143 394 HE22 GLN 50 1HE2 GLN 50 -11.148 -8.406 -3.383 395 H VAL 51 H VAL 51 -8.279 -2.086 -4.355 396 HA VAL 51 HA VAL 51 -7.152 -1.452 -6.947 397 HB VAL 51 HB VAL 51 -8.114 0.398 -4.706 398 HG11 VAL 51 1HG1 VAL 51 -8.436 2.105 -6.463 399 HG12 VAL 51 2HG1 VAL 51 -7.775 0.997 -7.665 400 HG13 VAL 51 3HG1 VAL 51 -6.747 1.588 -6.360 401 HG21 VAL 51 3HG2 VAL 51 -9.972 -1.057 -5.299 402 HG22 VAL 51 1HG2 VAL 51 -9.756 -0.686 -7.013 403 HG23 VAL 51 2HG2 VAL 51 -10.276 0.577 -5.893 404 H LYS 52 H LYS 52 -5.418 0.362 -6.862 405 HA LYS 52 HA LYS 52 -3.533 -0.066 -4.668 406 HB2 LYS 52 1HB LYS 52 -1.676 -0.497 -6.311 407 HB3 LYS 52 2HB LYS 52 -2.858 -1.791 -6.176 408 HG2 LYS 52 1HG LYS 52 -3.916 -1.069 -8.277 409 HG3 LYS 52 2HG LYS 52 -2.756 0.255 -8.417 410 HD2 LYS 52 1HD LYS 52 -2.127 -1.645 -9.856 411 HD3 LYS 52 2HD LYS 52 -0.904 -1.353 -8.619 412 HE2 LYS 52 1HE LYS 52 -1.328 -3.765 -8.926 413 HE3 LYS 52 2HE LYS 52 -1.774 -3.246 -7.300 414 HZ1 LYS 52 3HZ LYS 52 -3.420 -4.725 -8.248 415 HZ2 LYS 52 1HZ LYS 52 -3.658 -3.682 -9.556 416 HZ3 LYS 52 2HZ LYS 52 -4.084 -3.194 -7.993 417 H LEU 53 H LEU 53 -2.082 1.443 -4.374 418 HA LEU 53 HA LEU 53 -2.162 3.976 -5.900 419 HG LEU 53 HG LEU 53 -4.088 4.786 -4.319 420 HB2 LEU 53 1HB LEU 53 -1.669 3.638 -2.893 421 HB3 LEU 53 2HB LEU 53 -1.543 5.140 -3.789 422 HD11 LEU 53 1HD1 LEU 53 -5.355 3.565 -2.611 423 HD12 LEU 53 2HD1 LEU 53 -3.853 2.990 -1.885 424 HD13 LEU 53 3HD1 LEU 53 -4.296 2.482 -3.515 425 HD21 LEU 53 3HD2 LEU 53 -4.725 5.967 -2.260 426 HD22 LEU 53 1HD2 LEU 53 -3.222 6.606 -2.923 427 HD23 LEU 53 2HD2 LEU 53 -3.182 5.534 -1.520 428 H THR 54 H THR 54 -0.039 5.030 -6.014 429 HA THR 54 HA THR 54 2.249 3.269 -5.325 430 HB THR 54 HB THR 54 3.441 4.300 -7.279 431 HG1 THR 54 HG1 THR 54 0.907 5.183 -8.192 432 HG21 THR 54 3HG2 THR 54 2.442 2.082 -7.526 433 HG22 THR 54 1HG2 THR 54 2.252 2.990 -9.025 434 HG23 THR 54 2HG2 THR 54 0.877 2.803 -7.934 435 H PHE 55 H PHE 55 3.752 4.093 -4.110 436 HA PHE 55 HA PHE 55 3.997 6.992 -3.587 437 HD1 PHE 55 HD1 PHE 55 1.860 3.945 -1.812 438 HD2 PHE 55 HD2 PHE 55 2.734 8.038 -0.936 439 HE1 PHE 55 HE1 PHE 55 -0.484 4.315 -1.163 440 HE2 PHE 55 HE2 PHE 55 0.391 8.399 -0.292 441 HZ PHE 55 HZ PHE 55 -1.220 6.539 -0.401 442 HB2 PHE 55 1HB PHE 55 4.203 4.715 -1.542 443 HB3 PHE 55 2HB PHE 55 4.548 6.409 -1.211 444 H GLU 56 H GLU 56 6.161 7.651 -3.199 445 HA GLU 56 HA GLU 56 8.112 6.227 -4.735 446 HB2 GLU 56 1HB GLU 56 8.425 8.712 -3.001 447 HB3 GLU 56 2HB GLU 56 9.667 8.093 -4.091 448 HG2 GLU 56 1HG GLU 56 8.051 8.388 -5.987 449 HG3 GLU 56 2HG GLU 56 6.933 9.156 -4.862 450 H THR 57 H THR 57 7.346 6.290 -1.358 451 HA THR 57 HA THR 57 9.567 4.443 -0.747 452 HB THR 57 HB THR 57 9.780 5.447 1.531 453 HG1 THR 57 HG1 THR 57 8.753 7.469 1.924 454 HG21 THR 57 3HG2 THR 57 11.356 6.256 -0.188 455 HG22 THR 57 1HG2 THR 57 10.939 7.552 0.936 456 HG23 THR 57 2HG2 THR 57 10.207 7.506 -0.668 457 H GLN 58 H GLN 58 9.122 2.969 0.975 458 HA GLN 58 HA GLN 58 6.566 1.901 1.322 459 HB2 GLN 58 1HB GLN 58 8.716 0.714 1.800 460 HB3 GLN 58 2HB GLN 58 8.961 1.723 3.215 461 HG2 GLN 58 1HG GLN 58 6.521 -0.037 2.969 462 HG3 GLN 58 2HG GLN 58 8.039 -0.701 3.512 463 HE21 GLN 58 2HE2 GLN 58 8.750 1.753 5.051 464 HE22 GLN 58 1HE2 GLN 58 7.733 1.724 6.446 465 H GLU 59 H GLU 59 8.345 4.298 3.150 466 HA GLU 59 HA GLU 59 6.901 4.409 5.506 467 HB2 GLU 59 1HB GLU 59 8.561 6.497 4.050 468 HB3 GLU 59 2HB GLU 59 7.893 6.776 5.651 469 HG2 GLU 59 1HG GLU 59 10.237 6.134 5.790 470 HG3 GLU 59 2HG GLU 59 9.204 4.940 6.572 471 H GLN 60 H GLN 60 6.381 6.153 2.456 472 HA GLN 60 HA GLN 60 4.231 7.792 3.391 473 HB2 GLN 60 1HB GLN 60 5.083 7.001 0.582 474 HB3 GLN 60 2HB GLN 60 3.843 8.201 0.927 475 HG2 GLN 60 1HG GLN 60 5.468 9.658 1.989 476 HG3 GLN 60 2HG GLN 60 6.721 8.430 1.844 477 HE21 GLN 60 2HE2 GLN 60 5.990 7.658 -0.884 478 HE22 GLN 60 1HE2 GLN 60 6.519 8.951 -1.899 479 H ALA 61 H ALA 61 4.372 4.492 2.077 480 HA ALA 61 HA ALA 61 1.585 4.306 1.383 481 HB1 ALA 61 3HB ALA 61 3.700 2.138 1.715 482 HB2 ALA 61 1HB ALA 61 3.314 2.989 0.214 483 HB3 ALA 61 2HB ALA 61 2.117 1.932 0.961 484 H GLU 62 H GLU 62 3.626 3.226 4.059 485 HA GLU 62 HA GLU 62 1.549 1.973 5.548 486 HB2 GLU 62 1HB GLU 62 3.177 1.832 7.381 487 HB3 GLU 62 2HB GLU 62 3.865 1.317 5.855 488 HG2 GLU 62 1HG GLU 62 5.635 2.616 6.390 489 HG3 GLU 62 2HG GLU 62 4.630 3.954 5.901 490 H ALA 63 H ALA 63 3.019 5.234 5.710 491 HA ALA 63 HA ALA 63 1.562 6.304 7.798 492 HB1 ALA 63 3HB ALA 63 3.420 7.463 6.680 493 HB2 ALA 63 1HB ALA 63 1.997 8.499 6.796 494 HB3 ALA 63 2HB ALA 63 2.410 7.729 5.259 495 H TYR 64 H TYR 64 0.594 5.876 4.424 496 HA TYR 64 HA TYR 64 -1.878 7.260 4.500 497 HD1 TYR 64 HD1 TYR 64 -2.990 8.048 2.117 498 HD2 TYR 64 HD2 TYR 64 -2.779 3.782 1.907 499 HE1 TYR 64 HE1 TYR 64 -5.148 7.995 0.940 500 HE2 TYR 64 HE2 TYR 64 -4.933 3.732 0.732 501 HH TYR 64 HH TYR 64 -6.379 6.458 -0.618 502 HB2 TYR 64 1HB TYR 64 -0.760 6.725 2.388 503 HB3 TYR 64 2HB TYR 64 -0.882 5.000 2.713 504 H ALA 65 H ALA 65 -1.200 3.737 4.562 505 HA ALA 65 HA ALA 65 -3.738 2.761 5.016 506 HB1 ALA 65 3HB ALA 65 -2.638 0.679 5.731 507 HB2 ALA 65 1HB ALA 65 -1.114 1.547 5.944 508 HB3 ALA 65 2HB ALA 65 -1.814 1.377 4.333 509 H GLN 66 H GLN 66 -1.278 3.526 7.490 510 HA GLN 66 HA GLN 66 -2.767 2.699 9.743 511 HB2 GLN 66 1HB GLN 66 -0.410 4.598 9.517 512 HB3 GLN 66 2HB GLN 66 -1.098 4.100 11.063 513 HG2 GLN 66 1HG GLN 66 -0.550 1.758 10.572 514 HG3 GLN 66 2HG GLN 66 0.090 2.223 8.999 515 HE21 GLN 66 2HE2 GLN 66 2.091 3.316 8.907 516 HE22 GLN 66 1HE2 GLN 66 3.197 3.298 10.231 517 H ARG 67 H ARG 67 -2.478 5.878 8.160 518 HA ARG 67 HA ARG 67 -3.970 7.440 9.970 519 HE ARG 67 HE ARG 67 -2.302 11.065 8.161 520 HB2 ARG 67 1HB ARG 67 -2.564 8.390 8.159 521 HB3 ARG 67 2HB ARG 67 -3.658 7.726 6.951 522 HG2 ARG 67 1HG ARG 67 -5.463 9.218 7.768 523 HG3 ARG 67 2HG ARG 67 -4.357 9.884 8.975 524 HD2 ARG 67 1HD ARG 67 -3.993 10.047 5.962 525 HD3 ARG 67 2HD ARG 67 -4.562 11.355 7.001 526 HH11 ARG 67 1HH1 ARG 67 -2.671 10.450 4.716 527 HH12 ARG 67 2HH1 ARG 67 -1.067 10.980 4.334 528 HH21 ARG 67 1HH2 ARG 67 -0.208 11.732 7.644 529 HH22 ARG 67 2HH2 ARG 67 0.322 11.702 5.993 530 H LYS 68 H LYS 68 -4.954 5.189 7.444 531 HA LYS 68 HA LYS 68 -7.789 5.888 7.583 532 HB2 LYS 68 1HB LYS 68 -6.362 3.636 6.093 533 HB3 LYS 68 2HB LYS 68 -8.067 4.049 5.932 534 HG2 LYS 68 1HG LYS 68 -5.710 5.775 5.105 535 HG3 LYS 68 2HG LYS 68 -6.796 4.880 4.035 536 HD2 LYS 68 1HD LYS 68 -8.705 6.306 4.967 537 HD3 LYS 68 2HD LYS 68 -7.468 7.291 5.765 538 HE2 LYS 68 1HE LYS 68 -8.115 8.337 3.664 539 HE3 LYS 68 2HE LYS 68 -6.454 7.758 3.524 540 HZ1 LYS 68 3HZ LYS 68 -8.884 6.418 2.454 541 HZ2 LYS 68 1HZ LYS 68 -7.320 5.778 2.389 542 HZ3 LYS 68 2HZ LYS 68 -7.686 7.198 1.557 543 H GLY 69 H GLY 69 -5.543 3.741 9.146 544 HA2 GLY 69 1HA GLY 69 -5.981 2.442 11.039 545 HA3 GLY 69 2HA GLY 69 -7.680 2.340 10.601 546 H ILE 70 H ILE 70 -6.077 1.835 7.841 547 HA ILE 70 HA ILE 70 -6.675 -0.950 7.699 548 HB ILE 70 HB ILE 70 -4.809 0.495 5.755 549 HG12 ILE 70 1HG1 ILE 70 -7.859 0.296 5.680 550 HG13 ILE 70 2HG1 ILE 70 -6.938 1.764 5.973 551 HG21 ILE 70 1HG2 ILE 70 -5.602 -1.217 4.137 552 HG22 ILE 70 2HG2 ILE 70 -6.571 -1.966 5.407 553 HG23 ILE 70 3HG2 ILE 70 -4.810 -1.962 5.525 554 HD11 ILE 70 3HD1 ILE 70 -6.035 1.631 3.689 555 HD12 ILE 70 1HD1 ILE 70 -7.795 1.719 3.722 556 HD13 ILE 70 2HD1 ILE 70 -7.000 0.175 3.406 557 H GLU 71 H GLU 71 -5.679 -2.365 8.898 558 HA GLU 71 HA GLU 71 -2.937 -2.459 9.675 559 HB2 GLU 71 1HB GLU 71 -3.274 -4.939 9.958 560 HB3 GLU 71 2HB GLU 71 -4.441 -3.952 10.837 561 HG2 GLU 71 1HG GLU 71 -6.146 -4.420 9.138 562 HG3 GLU 71 2HG GLU 71 -4.970 -5.316 8.176 563 H TYR 72 H TYR 72 -1.115 -3.505 8.633 564 HA TYR 72 HA TYR 72 -1.456 -4.182 5.788 565 HD1 TYR 72 HD2 TYR 72 -0.799 -1.048 8.396 566 HD2 TYR 72 HD1 TYR 72 2.469 -2.232 5.917 567 HE1 TYR 72 HE2 TYR 72 0.776 -0.003 9.961 568 HE2 TYR 72 HE1 TYR 72 4.039 -1.188 7.483 569 HH TYR 72 HH TYR 72 4.000 0.635 9.196 570 HB2 TYR 72 1HB TYR 72 0.231 -2.523 5.103 571 HB3 TYR 72 2HB TYR 72 -1.107 -1.718 5.911 572 H ARG 73 H ARG 73 0.198 -5.432 4.913 573 HA ARG 73 HA ARG 73 2.426 -6.264 6.687 574 HE ARG 73 HE ARG 73 1.432 -8.965 7.969 575 HB2 ARG 73 1HB ARG 73 0.703 -8.046 6.215 576 HB3 ARG 73 2HB ARG 73 1.077 -7.922 4.502 577 HG2 ARG 73 1HG ARG 73 2.172 -9.860 5.587 578 HG3 ARG 73 2HG ARG 73 3.344 -8.737 4.891 579 HD2 ARG 73 1HD ARG 73 3.964 -9.630 7.174 580 HD3 ARG 73 2HD ARG 73 3.922 -7.869 7.060 581 HH11 ARG 73 1HH1 ARG 73 4.633 -8.034 9.105 582 HH12 ARG 73 2HH1 ARG 73 4.094 -7.784 10.734 583 HH21 ARG 73 1HH2 ARG 73 0.755 -8.600 10.077 584 HH22 ARG 73 2HH2 ARG 73 1.899 -8.102 11.283 585 H VAL 74 H VAL 74 4.415 -5.903 5.901 586 HA VAL 74 HA VAL 74 4.722 -4.724 3.214 587 HB VAL 74 HB VAL 74 6.688 -4.532 5.553 588 HG11 VAL 74 1HG1 VAL 74 7.713 -2.687 4.246 589 HG12 VAL 74 2HG1 VAL 74 6.547 -2.954 2.947 590 HG13 VAL 74 3HG1 VAL 74 7.735 -4.201 3.332 591 HG21 VAL 74 3HG2 VAL 74 4.614 -2.488 4.688 592 HG22 VAL 74 1HG2 VAL 74 5.864 -2.229 5.905 593 HG23 VAL 74 2HG2 VAL 74 4.591 -3.425 6.186 594 H ILE 75 H ILE 75 6.055 -5.671 1.776 595 HA ILE 75 HA ILE 75 7.706 -8.007 2.512 596 HB ILE 75 HB ILE 75 5.838 -7.778 0.091 597 HG12 ILE 75 1HG1 ILE 75 5.612 -9.764 2.399 598 HG13 ILE 75 2HG1 ILE 75 4.761 -8.228 2.403 599 HG21 ILE 75 1HG2 ILE 75 6.496 -10.120 -0.421 600 HG22 ILE 75 2HG2 ILE 75 7.667 -10.075 0.896 601 HG23 ILE 75 3HG2 ILE 75 7.875 -9.018 -0.503 602 HD11 ILE 75 3HD1 ILE 75 3.557 -8.909 0.382 603 HD12 ILE 75 1HD1 ILE 75 3.300 -9.989 1.751 604 HD13 ILE 75 2HD1 ILE 75 4.379 -10.474 0.440 605 H LEU 76 H LEU 76 9.727 -7.665 1.885 606 HA LEU 76 HA LEU 76 10.582 -5.292 0.658 607 HG LEU 76 HG LEU 76 11.420 -6.841 3.334 608 HB2 LEU 76 1HB LEU 76 12.105 -7.864 1.210 609 HB3 LEU 76 2HB LEU 76 12.859 -6.360 0.692 610 HD11 LEU 76 1HD1 LEU 76 13.656 -7.820 3.214 611 HD12 LEU 76 2HD1 LEU 76 13.625 -6.455 4.324 612 HD13 LEU 76 3HD1 LEU 76 14.326 -6.261 2.713 613 HD21 LEU 76 3HD2 LEU 76 10.944 -4.559 2.572 614 HD22 LEU 76 1HD2 LEU 76 12.666 -4.265 2.298 615 HD23 LEU 76 2HD2 LEU 76 12.056 -4.531 3.935 616 HA PRO 77 HA PRO 77 10.560 -6.373 -3.720 617 HB2 PRO 77 1HB PRO 77 12.369 -4.510 -4.635 618 HB3 PRO 77 2HB PRO 77 10.711 -4.110 -4.174 619 HG2 PRO 77 1HG PRO 77 13.247 -3.781 -2.603 620 HG3 PRO 77 2HG PRO 77 11.866 -2.671 -2.756 621 HD2 PRO 77 1HD PRO 77 12.237 -4.302 -0.593 622 HD3 PRO 77 2HD PRO 77 10.634 -3.803 -1.134 623 H LYS 78 H LYS 78 12.307 -6.547 -5.509 624 HA LYS 78 HA LYS 78 14.099 -8.676 -4.842 625 HB2 LYS 78 1HB LYS 78 14.618 -8.533 -7.376 626 HB3 LYS 78 2HB LYS 78 12.978 -8.928 -6.900 627 HG2 LYS 78 1HG LYS 78 12.804 -7.438 -8.733 628 HG3 LYS 78 2HG LYS 78 12.337 -6.526 -7.297 629 HD2 LYS 78 1HD LYS 78 14.591 -5.461 -7.271 630 HD3 LYS 78 2HD LYS 78 15.028 -6.376 -8.719 631 HE2 LYS 78 1HE LYS 78 13.202 -5.245 -9.958 632 HE3 LYS 78 2HE LYS 78 12.807 -4.316 -8.508 633 HZ1 LYS 78 3HZ LYS 78 15.375 -4.235 -9.987 634 HZ2 LYS 78 1HZ LYS 78 15.024 -3.357 -8.579 635 HZ3 LYS 78 2HZ LYS 78 14.172 -3.047 -10.007 636 H GLU 79 H GLU 79 14.699 -5.730 -3.919 637 HA GLU 79 HA GLU 79 17.551 -5.744 -4.578 638 HB2 GLU 79 1HB GLU 79 17.498 -3.329 -5.172 639 HB3 GLU 79 2HB GLU 79 16.566 -4.325 -6.283 640 HG2 GLU 79 1HG GLU 79 14.479 -3.642 -5.040 641 HG3 GLU 79 2HG GLU 79 15.467 -2.519 -4.106 642 H ALA 80 H ALA 80 15.117 -5.346 -2.227 643 HA ALA 80 HA ALA 80 16.688 -3.574 -0.500 644 HB1 ALA 80 3HB ALA 80 14.259 -3.250 -0.539 645 HB2 ALA 80 1HB ALA 80 14.824 -3.680 1.079 646 HB3 ALA 80 2HB ALA 80 14.015 -4.887 0.074 Start of MODEL 5 1 H MET 1 H MET 1 -9.499 -3.454 7.251 2 HA MET 1 HA MET 1 -9.506 -5.288 4.936 3 HB2 MET 1 1HB MET 1 -9.218 -2.255 5.056 4 HB3 MET 1 2HB MET 1 -9.126 -3.236 3.600 5 HG2 MET 1 1HG MET 1 -11.262 -2.210 3.648 6 HG3 MET 1 2HG MET 1 -11.508 -3.916 4.001 7 HE1 MET 1 3HE MET 1 -14.263 -1.979 6.145 8 HE2 MET 1 1HE MET 1 -14.013 -3.153 4.850 9 HE3 MET 1 2HE MET 1 -13.621 -1.453 4.588 10 H SER 2 H SER 2 -7.401 -5.613 3.937 11 HA SER 2 HA SER 2 -5.122 -4.912 5.694 12 HG SER 2 HG SER 2 -5.692 -7.191 6.870 13 HB2 SER 2 1HB SER 2 -5.515 -7.453 4.054 14 HB3 SER 2 2HB SER 2 -4.209 -7.119 5.193 15 H ALA 3 H ALA 3 -3.523 -3.811 4.747 16 HA ALA 3 HA ALA 3 -3.416 -3.506 1.794 17 HB1 ALA 3 3HB ALA 3 -2.047 -1.488 2.249 18 HB2 ALA 3 1HB ALA 3 -2.193 -1.774 3.987 19 HB3 ALA 3 2HB ALA 3 -3.624 -1.386 3.030 20 H LYS 4 H LYS 4 -1.568 -4.158 0.722 21 HA LYS 4 HA LYS 4 0.676 -5.247 2.289 22 HB2 LYS 4 1HB LYS 4 1.195 -6.756 0.379 23 HB3 LYS 4 2HB LYS 4 -0.355 -7.108 1.125 24 HG2 LYS 4 1HG LYS 4 -1.551 -6.095 -0.734 25 HG3 LYS 4 2HG LYS 4 -0.033 -5.552 -1.464 26 HD2 LYS 4 1HD LYS 4 0.666 -7.911 -1.768 27 HD3 LYS 4 2HD LYS 4 -0.836 -8.461 -1.021 28 HE2 LYS 4 1HE LYS 4 -0.707 -6.825 -3.581 29 HE3 LYS 4 2HE LYS 4 -0.824 -8.585 -3.526 30 HZ1 LYS 4 3HZ LYS 4 -2.925 -8.374 -2.354 31 HZ2 LYS 4 1HZ LYS 4 -2.981 -7.576 -3.843 32 HZ3 LYS 4 2HZ LYS 4 -2.819 -6.690 -2.410 33 H ILE 5 H ILE 5 2.513 -4.225 2.041 34 HA ILE 5 HA ILE 5 2.799 -2.196 -0.103 35 HB ILE 5 HB ILE 5 4.167 -2.229 2.634 36 HG12 ILE 5 1HG1 ILE 5 2.927 0.134 2.737 37 HG13 ILE 5 2HG1 ILE 5 1.867 -0.580 1.530 38 HG21 ILE 5 1HG2 ILE 5 5.217 -0.080 1.974 39 HG22 ILE 5 2HG2 ILE 5 4.513 -0.229 0.362 40 HG23 ILE 5 3HG2 ILE 5 5.712 -1.403 0.912 41 HD11 ILE 5 3HD1 ILE 5 0.937 -0.746 3.735 42 HD12 ILE 5 1HD1 ILE 5 2.359 -1.614 4.306 43 HD13 ILE 5 2HD1 ILE 5 1.291 -2.357 3.108 44 H TYR 6 H TYR 6 4.257 -2.668 -1.574 45 HA TYR 6 HA TYR 6 6.634 -4.265 -1.059 46 HD1 TYR 6 HD1 TYR 6 2.650 -5.051 -1.743 47 HD2 TYR 6 HD2 TYR 6 5.242 -5.441 -5.144 48 HE1 TYR 6 HE1 TYR 6 0.717 -4.847 -3.234 49 HE2 TYR 6 HE2 TYR 6 3.283 -5.230 -6.630 50 HH TYR 6 HH TYR 6 0.215 -4.199 -5.552 51 HB2 TYR 6 1HB TYR 6 6.111 -5.880 -2.914 52 HB3 TYR 6 2HB TYR 6 5.017 -6.053 -1.551 53 H ARG 7 H ARG 7 7.856 -4.424 -3.250 54 HA ARG 7 HA ARG 7 7.275 -2.162 -5.052 55 HE ARG 7 HE ARG 7 10.750 1.167 -6.207 56 HB2 ARG 7 1HB ARG 7 8.934 -1.473 -3.258 57 HB3 ARG 7 2HB ARG 7 10.040 -2.670 -3.903 58 HG2 ARG 7 1HG ARG 7 10.140 -1.470 -6.044 59 HG3 ARG 7 2HG ARG 7 8.953 -0.309 -5.448 60 HD2 ARG 7 1HD ARG 7 10.588 0.198 -3.554 61 HD3 ARG 7 2HD ARG 7 11.777 -0.728 -4.467 62 HH11 ARG 7 1HH1 ARG 7 12.724 1.088 -3.301 63 HH12 ARG 7 2HH1 ARG 7 13.345 2.687 -3.533 64 HH21 ARG 7 1HH2 ARG 7 11.577 3.258 -6.506 65 HH22 ARG 7 2HH2 ARG 7 12.693 3.927 -5.358 66 HA PRO 8 HA PRO 8 8.156 -5.964 -7.399 67 HB2 PRO 8 1HB PRO 8 6.426 -5.575 -9.441 68 HB3 PRO 8 2HB PRO 8 5.863 -6.028 -7.824 69 HG2 PRO 8 1HG PRO 8 5.889 -3.323 -9.137 70 HG3 PRO 8 2HG PRO 8 4.630 -4.058 -8.125 71 HD2 PRO 8 1HD PRO 8 6.530 -2.223 -7.214 72 HD3 PRO 8 2HD PRO 8 5.640 -3.355 -6.173 73 H ALA 9 H ALA 9 8.785 -6.344 -9.780 74 HA ALA 9 HA ALA 9 10.870 -4.531 -10.584 75 HB1 ALA 9 3HB ALA 9 11.338 -6.183 -12.353 76 HB2 ALA 9 1HB ALA 9 9.833 -7.029 -11.975 77 HB3 ALA 9 2HB ALA 9 11.141 -6.979 -10.786 78 H LYS 10 H LYS 10 7.538 -4.929 -11.396 79 HA LYS 10 HA LYS 10 7.613 -2.464 -12.946 80 HB2 LYS 10 1HB LYS 10 6.072 -3.383 -14.696 81 HB3 LYS 10 2HB LYS 10 7.673 -4.107 -14.740 82 HG2 LYS 10 1HG LYS 10 6.800 -6.116 -13.588 83 HG3 LYS 10 2HG LYS 10 5.189 -5.395 -13.556 84 HD2 LYS 10 1HD LYS 10 6.764 -6.098 -16.067 85 HD3 LYS 10 2HD LYS 10 5.438 -7.046 -15.390 86 HE2 LYS 10 1HE LYS 10 3.880 -5.175 -15.803 87 HE3 LYS 10 2HE LYS 10 5.206 -4.197 -16.439 88 HZ1 LYS 10 3HZ LYS 10 3.958 -5.174 -18.217 89 HZ2 LYS 10 1HZ LYS 10 4.180 -6.730 -17.597 90 HZ3 LYS 10 2HZ LYS 10 5.503 -5.858 -18.192 91 H THR 11 H THR 11 6.065 -1.146 -12.143 92 HA THR 11 HA THR 11 4.439 -1.941 -9.950 93 HB THR 11 HB THR 11 3.511 0.423 -10.106 94 HG1 THR 11 HG1 THR 11 4.487 1.809 -11.643 95 HG21 THR 11 3HG2 THR 11 5.603 1.561 -9.479 96 HG22 THR 11 1HG2 THR 11 6.541 0.221 -10.143 97 HG23 THR 11 2HG2 THR 11 5.516 -0.036 -8.728 98 H ALA 12 H ALA 12 3.161 -0.273 -12.836 99 HA ALA 12 HA ALA 12 1.281 -2.084 -13.779 100 HB1 ALA 12 3HB ALA 12 0.070 -0.198 -11.697 101 HB2 ALA 12 1HB ALA 12 0.204 -1.952 -11.539 102 HB3 ALA 12 2HB ALA 12 -0.842 -1.259 -12.779 103 H MET 13 H MET 13 1.072 1.308 -12.706 104 HA MET 13 HA MET 13 0.576 2.311 -15.396 105 HB2 MET 13 1HB MET 13 0.378 4.548 -14.252 106 HB3 MET 13 2HB MET 13 -0.751 3.347 -13.654 107 HG2 MET 13 1HG MET 13 1.814 4.136 -12.240 108 HG3 MET 13 2HG MET 13 0.228 4.797 -11.867 109 HE1 MET 13 3HE MET 13 -1.598 1.613 -10.390 110 HE2 MET 13 1HE MET 13 -1.656 2.196 -12.053 111 HE3 MET 13 2HE MET 13 -1.748 3.345 -10.713 112 H GLN 14 H GLN 14 2.281 2.460 -16.696 113 HA GLN 14 HA GLN 14 4.977 2.744 -15.641 114 HB2 GLN 14 1HB GLN 14 4.096 2.294 -18.519 115 HB3 GLN 14 2HB GLN 14 5.744 2.185 -17.909 116 HG2 GLN 14 1HG GLN 14 3.430 0.336 -17.207 117 HG3 GLN 14 2HG GLN 14 4.803 -0.045 -18.248 118 HE21 GLN 14 2HE2 GLN 14 3.753 0.409 -14.935 119 HE22 GLN 14 1HE2 GLN 14 5.144 -0.289 -14.188 120 H SER 15 H SER 15 4.880 4.887 -14.909 121 HA SER 15 HA SER 15 4.649 7.046 -16.890 122 HG SER 15 HG SER 15 2.732 7.541 -15.488 123 HB2 SER 15 1HB SER 15 5.040 7.193 -13.867 124 HB3 SER 15 2HB SER 15 4.736 8.566 -14.941 125 H GLY 16 H GLY 16 6.937 6.716 -14.151 126 HA2 GLY 16 1HA GLY 16 9.257 7.085 -15.984 127 HA3 GLY 16 2HA GLY 16 9.181 7.675 -14.328 128 H THR 17 H THR 17 7.812 4.609 -15.011 129 HA THR 17 HA THR 17 9.495 3.330 -13.039 130 HB THR 17 HB THR 17 7.927 1.404 -13.380 131 HG1 THR 17 HG1 THR 17 7.246 1.491 -15.427 132 HG21 THR 17 3HG2 THR 17 6.519 4.079 -13.018 133 HG22 THR 17 1HG2 THR 17 7.336 3.167 -11.745 134 HG23 THR 17 2HG2 THR 17 5.897 2.504 -12.519 135 H ALA 18 H ALA 18 9.615 3.674 -16.433 136 HA ALA 18 HA ALA 18 10.989 1.251 -17.130 137 HB1 ALA 18 3HB ALA 18 11.584 2.429 -19.216 138 HB2 ALA 18 1HB ALA 18 11.010 3.950 -18.528 139 HB3 ALA 18 2HB ALA 18 9.872 2.639 -18.838 140 H LYS 19 H LYS 19 11.894 4.272 -15.651 141 HA LYS 19 HA LYS 19 14.778 3.728 -15.754 142 HB2 LYS 19 1HB LYS 19 13.247 6.018 -14.409 143 HB3 LYS 19 2HB LYS 19 15.003 5.895 -14.558 144 HG2 LYS 19 1HG LYS 19 14.735 5.941 -17.057 145 HG3 LYS 19 2HG LYS 19 13.004 6.230 -16.821 146 HD2 LYS 19 1HD LYS 19 13.530 8.341 -15.616 147 HD3 LYS 19 2HD LYS 19 15.257 8.034 -15.834 148 HE2 LYS 19 1HE LYS 19 14.936 8.141 -18.304 149 HE3 LYS 19 2HE LYS 19 13.231 8.534 -18.051 150 HZ1 LYS 19 3HZ LYS 19 13.937 10.520 -16.841 151 HZ2 LYS 19 1HZ LYS 19 14.519 10.516 -18.430 152 HZ3 LYS 19 2HZ LYS 19 15.557 10.142 -17.149 153 H THR 20 H THR 20 12.418 4.521 -13.156 154 HA THR 20 HA THR 20 13.427 2.311 -11.487 155 HB THR 20 HB THR 20 13.331 3.887 -9.452 156 HG1 THR 20 HG1 THR 20 13.758 5.987 -11.305 157 HG21 THR 20 3HG2 THR 20 15.507 3.120 -10.348 158 HG22 THR 20 1HG2 THR 20 15.607 4.772 -9.731 159 HG23 THR 20 2HG2 THR 20 15.529 4.482 -11.471 160 H ASN 21 H ASN 21 11.738 1.169 -10.735 161 HA ASN 21 HA ASN 21 9.022 2.169 -10.686 162 HB2 ASN 21 1HB ASN 21 10.234 -0.448 -9.683 163 HB3 ASN 21 2HB ASN 21 8.518 -0.069 -9.565 164 HD21 ASN 21 2HD2 ASN 21 11.132 -0.827 -11.740 165 HD22 ASN 21 1HD2 ASN 21 10.143 -1.212 -13.103 166 H VAL 22 H VAL 22 7.706 2.115 -8.752 167 HA VAL 22 HA VAL 22 9.135 2.911 -6.265 168 HB VAL 22 HB VAL 22 7.127 4.312 -5.740 169 HG11 VAL 22 1HG1 VAL 22 7.631 6.165 -7.291 170 HG12 VAL 22 2HG1 VAL 22 8.503 5.045 -8.344 171 HG13 VAL 22 3HG1 VAL 22 9.103 5.376 -6.716 172 HG21 VAL 22 3HG2 VAL 22 5.488 4.866 -7.506 173 HG22 VAL 22 1HG2 VAL 22 5.454 3.141 -7.126 174 HG23 VAL 22 2HG2 VAL 22 6.258 3.704 -8.594 175 H TRP 23 H TRP 23 7.024 2.858 -4.519 176 HA TRP 23 HA TRP 23 6.740 -0.029 -4.120 177 HD1 TRP 23 HD1 TRP 23 8.971 2.898 -2.843 178 HE1 TRP 23 HE1 TRP 23 11.073 2.003 -1.671 179 HE3 TRP 23 HE3 TRP 23 6.958 -1.256 -0.614 180 HZ2 TRP 23 HZ2 TRP 23 11.797 -0.183 -0.018 181 HZ3 TRP 23 HZ3 TRP 23 8.419 -2.699 0.745 182 HH2 TRP 23 HH2 TRP 23 10.791 -2.170 1.034 183 HB2 TRP 23 1HB TRP 23 6.277 2.331 -2.231 184 HB3 TRP 23 2HB TRP 23 5.968 0.653 -1.794 185 H VAL 24 H VAL 24 4.773 -1.008 -4.360 186 HA VAL 24 HA VAL 24 2.397 0.655 -4.877 187 HB VAL 24 HB VAL 24 2.801 -2.329 -5.403 188 HG11 VAL 24 1HG1 VAL 24 0.552 -0.487 -6.304 189 HG12 VAL 24 2HG1 VAL 24 0.421 -1.739 -5.069 190 HG13 VAL 24 3HG1 VAL 24 0.731 -2.188 -6.746 191 HG21 VAL 24 3HG2 VAL 24 2.922 -0.020 -7.377 192 HG22 VAL 24 1HG2 VAL 24 2.976 -1.736 -7.798 193 HG23 VAL 24 2HG2 VAL 24 4.283 -1.018 -6.856 194 H LEU 25 H LEU 25 0.690 0.553 -3.572 195 HA LEU 25 HA LEU 25 0.588 -1.299 -1.288 196 HG LEU 25 HG LEU 25 -0.679 -0.483 0.817 197 HB2 LEU 25 1HB LEU 25 0.848 1.111 -0.617 198 HB3 LEU 25 2HB LEU 25 -0.618 1.513 -1.492 199 HD11 LEU 25 1HD1 LEU 25 -0.988 2.519 1.094 200 HD12 LEU 25 2HD1 LEU 25 0.366 1.551 1.689 201 HD13 LEU 25 3HD1 LEU 25 -1.246 1.311 2.359 202 HD21 LEU 25 3HD2 LEU 25 -2.838 1.333 -0.339 203 HD22 LEU 25 1HD2 LEU 25 -3.036 0.275 1.064 204 HD23 LEU 25 2HD2 LEU 25 -2.729 -0.419 -0.523 205 H GLU 26 H GLU 26 -0.672 -2.843 -1.970 206 HA GLU 26 HA GLU 26 -3.210 -2.165 -3.389 207 HB2 GLU 26 1HB GLU 26 -1.563 -3.821 -4.521 208 HB3 GLU 26 2HB GLU 26 -2.014 -4.960 -3.256 209 HG2 GLU 26 1HG GLU 26 -4.422 -4.690 -3.965 210 HG3 GLU 26 2HG GLU 26 -3.856 -3.690 -5.304 211 H PHE 27 H PHE 27 -5.108 -2.571 -2.282 212 HA PHE 27 HA PHE 27 -5.017 -4.264 0.125 213 HD1 PHE 27 HD2 PHE 27 -5.173 -0.597 -1.549 214 HD2 PHE 27 HD1 PHE 27 -7.613 -1.034 1.936 215 HE1 PHE 27 HE2 PHE 27 -6.448 1.402 -2.170 216 HE2 PHE 27 HE1 PHE 27 -8.868 0.981 1.304 217 HZ PHE 27 HZ PHE 27 -8.287 2.197 -0.749 218 HB2 PHE 27 1HB PHE 27 -5.906 -2.572 1.589 219 HB3 PHE 27 2HB PHE 27 -4.480 -1.911 0.815 220 H ASP 28 H ASP 28 -6.949 -5.077 0.836 221 HA ASP 28 HA ASP 28 -9.288 -5.239 -0.735 222 HB2 ASP 28 1HB ASP 28 -8.647 -6.728 1.193 223 HB3 ASP 28 2HB ASP 28 -8.923 -5.390 2.301 224 H ALA 29 H ALA 29 -10.424 -3.362 -1.346 225 HA ALA 29 HA ALA 29 -9.874 -0.861 -0.193 226 HB1 ALA 29 3HB ALA 29 -11.584 0.047 -1.669 227 HB2 ALA 29 1HB ALA 29 -12.186 -1.581 -1.998 228 HB3 ALA 29 2HB ALA 29 -10.566 -1.117 -2.515 229 H GLU 30 H GLU 30 -11.179 0.634 0.855 230 HA GLU 30 HA GLU 30 -12.813 -0.446 3.004 231 HB2 GLU 30 1HB GLU 30 -12.699 1.985 3.829 232 HB3 GLU 30 2HB GLU 30 -11.178 1.116 3.717 233 HG2 GLU 30 1HG GLU 30 -10.783 3.339 2.934 234 HG3 GLU 30 2HG GLU 30 -10.735 2.270 1.539 235 H VAL 31 H VAL 31 -13.682 0.106 -0.012 236 HA VAL 31 HA VAL 31 -16.165 1.555 0.509 237 HB VAL 31 HB VAL 31 -14.903 2.174 -1.542 238 HG11 VAL 31 1HG1 VAL 31 -15.387 -0.657 -2.543 239 HG12 VAL 31 2HG1 VAL 31 -13.832 0.029 -2.071 240 HG13 VAL 31 3HG1 VAL 31 -14.681 0.667 -3.480 241 HG21 VAL 31 3HG2 VAL 31 -17.332 2.512 -1.546 242 HG22 VAL 31 1HG2 VAL 31 -17.589 0.881 -2.172 243 HG23 VAL 31 2HG2 VAL 31 -16.783 2.097 -3.171 244 HA PRO 32 HA PRO 32 -18.471 -2.393 1.068 245 HB2 PRO 32 1HB PRO 32 -20.680 -0.643 -0.037 246 HB3 PRO 32 2HB PRO 32 -20.693 -1.727 1.365 247 HG2 PRO 32 1HG PRO 32 -20.493 0.898 1.716 248 HG3 PRO 32 2HG PRO 32 -19.526 -0.209 2.714 249 HD2 PRO 32 1HD PRO 32 -18.649 1.479 0.366 250 HD3 PRO 32 2HD PRO 32 -17.787 1.101 1.872 251 H ARG 33 H ARG 33 -19.924 -3.774 -0.230 252 HA ARG 33 HA ARG 33 -19.035 -4.260 -2.882 253 HE ARG 33 HE ARG 33 -23.798 -4.737 0.410 254 HB2 ARG 33 1HB ARG 33 -20.906 -6.010 -2.884 255 HB3 ARG 33 2HB ARG 33 -19.730 -6.140 -1.587 256 HG2 ARG 33 1HG ARG 33 -21.721 -6.508 -0.446 257 HG3 ARG 33 2HG ARG 33 -21.463 -4.786 -0.173 258 HD2 ARG 33 1HD ARG 33 -23.045 -4.328 -2.087 259 HD3 ARG 33 2HD ARG 33 -23.377 -6.063 -2.165 260 HH11 ARG 33 1HH1 ARG 33 -25.317 -6.051 -2.484 261 HH12 ARG 33 2HH1 ARG 33 -26.912 -5.986 -1.807 262 HH21 ARG 33 1HH2 ARG 33 -25.907 -4.643 1.255 263 HH22 ARG 33 2HH2 ARG 33 -27.241 -5.204 0.298 264 H LYS 34 H LYS 34 -21.363 -2.105 -1.708 265 HA LYS 34 HA LYS 34 -23.099 -1.892 -3.960 266 HB2 LYS 34 1HB LYS 34 -22.476 0.067 -1.695 267 HB3 LYS 34 2HB LYS 34 -23.769 0.274 -2.875 268 HG2 LYS 34 1HG LYS 34 -23.555 -2.007 -0.879 269 HG3 LYS 34 2HG LYS 34 -24.616 -0.604 -0.727 270 HD2 LYS 34 1HD LYS 34 -24.766 -2.717 -2.934 271 HD3 LYS 34 2HD LYS 34 -25.848 -2.605 -1.544 272 HE2 LYS 34 1HE LYS 34 -26.682 -0.434 -2.340 273 HE3 LYS 34 2HE LYS 34 -25.559 -0.482 -3.703 274 HZ1 LYS 34 3HZ LYS 34 -27.771 -1.160 -4.339 275 HZ2 LYS 34 1HZ LYS 34 -27.757 -2.404 -3.202 276 HZ3 LYS 34 2HZ LYS 34 -26.687 -2.448 -4.511 277 H ILE 35 H ILE 35 -22.297 -1.384 -5.867 278 HA ILE 35 HA ILE 35 -20.093 0.529 -6.227 279 HB ILE 35 HB ILE 35 -20.052 -0.221 -8.575 280 HG12 ILE 35 1HG1 ILE 35 -22.434 -2.005 -7.877 281 HG13 ILE 35 2HG1 ILE 35 -22.510 -0.558 -8.872 282 HG21 ILE 35 1HG2 ILE 35 -20.180 -2.590 -6.659 283 HG22 ILE 35 2HG2 ILE 35 -18.783 -1.546 -6.938 284 HG23 ILE 35 3HG2 ILE 35 -19.381 -2.577 -8.237 285 HD11 ILE 35 3HD1 ILE 35 -22.549 -2.550 -10.213 286 HD12 ILE 35 1HD1 ILE 35 -21.015 -3.083 -9.535 287 HD13 ILE 35 2HD1 ILE 35 -21.083 -1.629 -10.537 288 H ASP 36 H ASP 36 -20.303 2.183 -7.950 289 HA ASP 36 HA ASP 36 -22.840 3.649 -7.791 290 HB2 ASP 36 1HB ASP 36 -20.503 4.690 -7.441 291 HB3 ASP 36 2HB ASP 36 -20.226 4.478 -9.156 292 HA PRO 37 HA PRO 37 -24.377 2.462 -11.936 293 HB2 PRO 37 1HB PRO 37 -25.128 5.083 -12.800 294 HB3 PRO 37 2HB PRO 37 -26.157 3.911 -11.971 295 HG2 PRO 37 1HG PRO 37 -24.558 6.187 -10.819 296 HG3 PRO 37 2HG PRO 37 -26.186 5.622 -10.380 297 HD2 PRO 37 1HD PRO 37 -24.139 5.017 -8.816 298 HD3 PRO 37 2HD PRO 37 -25.344 3.758 -9.177 299 H ILE 38 H ILE 38 -22.127 5.220 -11.669 300 HA ILE 38 HA ILE 38 -21.294 5.339 -14.394 301 HB ILE 38 HB ILE 38 -19.687 6.130 -11.914 302 HG12 ILE 38 1HG1 ILE 38 -21.564 7.775 -13.669 303 HG13 ILE 38 2HG1 ILE 38 -21.788 7.358 -11.967 304 HG21 ILE 38 1HG2 ILE 38 -18.352 7.579 -13.410 305 HG22 ILE 38 2HG2 ILE 38 -19.243 6.975 -14.807 306 HG23 ILE 38 3HG2 ILE 38 -18.212 5.885 -13.879 307 HD11 ILE 38 3HD1 ILE 38 -21.135 9.672 -12.216 308 HD12 ILE 38 1HD1 ILE 38 -19.678 9.209 -13.092 309 HD13 ILE 38 2HD1 ILE 38 -19.859 8.779 -11.388 310 H MET 39 H MET 39 -20.080 3.549 -11.587 311 HA MET 39 HA MET 39 -17.811 2.315 -12.736 312 HB2 MET 39 1HB MET 39 -19.622 1.307 -10.494 313 HB3 MET 39 2HB MET 39 -18.014 0.685 -10.848 314 HG2 MET 39 1HG MET 39 -17.016 2.813 -10.221 315 HG3 MET 39 2HG MET 39 -18.613 3.530 -9.995 316 HE1 MET 39 3HE MET 39 -16.067 0.814 -8.657 317 HE2 MET 39 1HE MET 39 -17.525 -0.153 -8.894 318 HE3 MET 39 2HE MET 39 -16.937 0.173 -7.266 319 H GLY 40 H GLY 40 -21.048 0.904 -12.108 320 HA2 GLY 40 1HA GLY 40 -22.359 -0.573 -13.258 321 HA3 GLY 40 2HA GLY 40 -21.483 -0.100 -14.704 322 H TYR 41 H TYR 41 -19.802 -1.550 -11.996 323 HA TYR 41 HA TYR 41 -18.939 -3.798 -13.627 324 HD1 TYR 41 HD1 TYR 41 -16.770 -4.969 -13.692 325 HD2 TYR 41 HD2 TYR 41 -17.096 -4.447 -9.458 326 HE1 TYR 41 HE1 TYR 41 -15.404 -6.992 -13.327 327 HE2 TYR 41 HE2 TYR 41 -15.737 -6.454 -9.101 328 HH TYR 41 HH TYR 41 -15.125 -8.497 -10.251 329 HB2 TYR 41 1HB TYR 41 -17.267 -2.560 -12.335 330 HB3 TYR 41 2HB TYR 41 -18.138 -2.869 -10.838 331 H THR 42 H THR 42 -21.268 -4.544 -13.659 332 HA THR 42 HA THR 42 -22.132 -6.023 -11.250 333 HB THR 42 HB THR 42 -24.335 -6.235 -12.443 334 HG1 THR 42 HG1 THR 42 -23.872 -6.069 -14.572 335 HG21 THR 42 3HG2 THR 42 -23.988 -4.335 -10.892 336 HG22 THR 42 1HG2 THR 42 -25.033 -3.874 -12.238 337 HG23 THR 42 2HG2 THR 42 -23.345 -3.359 -12.215 338 H SER 43 H SER 43 -20.405 -6.582 -14.052 339 HA SER 43 HA SER 43 -21.368 -9.021 -15.065 340 HG SER 43 HG SER 43 -17.462 -8.010 -15.196 341 HB2 SER 43 1HB SER 43 -18.984 -9.266 -15.947 342 HB3 SER 43 2HB SER 43 -19.763 -7.732 -16.339 343 H SER 44 H SER 44 -18.765 -8.391 -12.722 344 HA SER 44 HA SER 44 -19.234 -11.022 -11.433 345 HG SER 44 HG SER 44 -17.574 -11.878 -12.924 346 HB2 SER 44 1HB SER 44 -16.574 -9.527 -11.682 347 HB3 SER 44 2HB SER 44 -16.820 -11.044 -10.808 348 H SER 45 H SER 45 -20.515 -10.463 -9.751 349 HA SER 45 HA SER 45 -20.348 -8.013 -8.284 350 HG SER 45 HG SER 45 -21.062 -11.372 -7.622 351 HB2 SER 45 1HB SER 45 -22.016 -9.189 -6.759 352 HB3 SER 45 2HB SER 45 -22.490 -9.115 -8.456 353 H ASP 46 H ASP 46 -18.210 -7.861 -7.601 354 HA ASP 46 HA ASP 46 -17.089 -9.868 -5.767 355 HB2 ASP 46 1HB ASP 46 -15.757 -8.782 -7.683 356 HB3 ASP 46 2HB ASP 46 -15.798 -7.280 -6.770 357 H MET 47 H MET 47 -15.999 -8.944 -3.722 358 HA MET 47 HA MET 47 -17.958 -7.613 -2.122 359 HB2 MET 47 1HB MET 47 -15.061 -8.262 -1.454 360 HB3 MET 47 2HB MET 47 -16.286 -7.773 -0.293 361 HG2 MET 47 1HG MET 47 -16.317 -10.339 -1.907 362 HG3 MET 47 2HG MET 47 -15.847 -10.195 -0.220 363 HE1 MET 47 3HE MET 47 -20.128 -10.492 -1.852 364 HE2 MET 47 1HE MET 47 -18.643 -11.071 -2.612 365 HE3 MET 47 2HE MET 47 -19.030 -9.348 -2.620 366 H LYS 48 H LYS 48 -14.900 -6.585 -3.606 367 HA LYS 48 HA LYS 48 -15.729 -3.957 -4.083 368 HB2 LYS 48 1HB LYS 48 -14.402 -2.575 -2.597 369 HB3 LYS 48 2HB LYS 48 -15.376 -3.639 -1.595 370 HG2 LYS 48 1HG LYS 48 -12.491 -4.255 -2.270 371 HG3 LYS 48 2HG LYS 48 -12.934 -3.238 -0.904 372 HD2 LYS 48 1HD LYS 48 -13.896 -6.096 -1.273 373 HD3 LYS 48 2HD LYS 48 -12.468 -5.641 -0.344 374 HE2 LYS 48 1HE LYS 48 -13.980 -4.185 1.085 375 HE3 LYS 48 2HE LYS 48 -15.352 -4.919 0.249 376 HZ1 LYS 48 3HZ LYS 48 -13.296 -6.382 1.801 377 HZ2 LYS 48 1HZ LYS 48 -14.644 -7.077 1.058 378 HZ3 LYS 48 2HZ LYS 48 -14.854 -6.005 2.350 379 H GLN 49 H GLN 49 -14.130 -2.716 -5.220 380 HA GLN 49 HA GLN 49 -12.150 -4.207 -6.651 381 HB2 GLN 49 1HB GLN 49 -11.480 -1.934 -7.573 382 HB3 GLN 49 2HB GLN 49 -13.161 -2.384 -7.833 383 HG2 GLN 49 1HG GLN 49 -13.889 -0.906 -6.042 384 HG3 GLN 49 2HG GLN 49 -12.218 -0.533 -5.623 385 HE21 GLN 49 2HE2 GLN 49 -11.073 0.952 -6.901 386 HE22 GLN 49 1HE2 GLN 49 -11.835 1.918 -8.111 387 H GLN 50 H GLN 50 -10.438 -4.954 -5.531 388 HA GLN 50 HA GLN 50 -9.184 -3.658 -3.333 389 HB2 GLN 50 1HB GLN 50 -7.420 -5.400 -3.497 390 HB3 GLN 50 2HB GLN 50 -9.029 -6.092 -3.514 391 HG2 GLN 50 1HG GLN 50 -7.310 -5.720 -5.986 392 HG3 GLN 50 2HG GLN 50 -7.399 -7.207 -5.049 393 HE21 GLN 50 2HE2 GLN 50 -8.135 -6.563 -7.876 394 HE22 GLN 50 1HE2 GLN 50 -9.757 -7.129 -8.047 395 H VAL 51 H VAL 51 -8.541 -1.531 -3.795 396 HA VAL 51 HA VAL 51 -7.517 -0.707 -6.296 397 HB VAL 51 HB VAL 51 -7.650 0.725 -3.597 398 HG11 VAL 51 1HG1 VAL 51 -7.622 2.858 -4.833 399 HG12 VAL 51 2HG1 VAL 51 -7.399 1.983 -6.350 400 HG13 VAL 51 3HG1 VAL 51 -6.142 1.935 -5.113 401 HG21 VAL 51 3HG2 VAL 51 -9.872 -0.066 -4.304 402 HG22 VAL 51 1HG2 VAL 51 -9.694 0.769 -5.850 403 HG23 VAL 51 2HG2 VAL 51 -9.782 1.693 -4.348 404 H LYS 52 H LYS 52 -5.439 0.432 -6.600 405 HA LYS 52 HA LYS 52 -3.311 -0.254 -4.691 406 HB2 LYS 52 1HB LYS 52 -1.731 -0.799 -6.525 407 HB3 LYS 52 2HB LYS 52 -3.068 -1.931 -6.398 408 HG2 LYS 52 1HG LYS 52 -4.167 -0.865 -8.339 409 HG3 LYS 52 2HG LYS 52 -2.819 0.268 -8.479 410 HD2 LYS 52 1HD LYS 52 -2.628 -1.600 -10.100 411 HD3 LYS 52 2HD LYS 52 -1.276 -1.594 -8.962 412 HE2 LYS 52 1HE LYS 52 -2.378 -3.386 -7.654 413 HE3 LYS 52 2HE LYS 52 -3.736 -3.378 -8.777 414 HZ1 LYS 52 3HZ LYS 52 -2.172 -5.161 -9.191 415 HZ2 LYS 52 1HZ LYS 52 -0.942 -4.043 -9.489 416 HZ3 LYS 52 2HZ LYS 52 -2.288 -4.117 -10.514 417 H LEU 53 H LEU 53 -1.966 1.271 -4.267 418 HA LEU 53 HA LEU 53 -2.072 3.889 -5.642 419 HG LEU 53 HG LEU 53 -3.493 4.757 -2.158 420 HB2 LEU 53 1HB LEU 53 -1.463 3.352 -2.691 421 HB3 LEU 53 2HB LEU 53 -1.523 4.923 -3.459 422 HD11 LEU 53 1HD1 LEU 53 -3.894 5.712 -4.364 423 HD12 LEU 53 2HD1 LEU 53 -5.326 4.929 -3.705 424 HD13 LEU 53 3HD1 LEU 53 -4.390 4.128 -4.972 425 HD21 LEU 53 3HD2 LEU 53 -3.488 2.369 -1.713 426 HD22 LEU 53 1HD2 LEU 53 -4.069 2.034 -3.346 427 HD23 LEU 53 2HD2 LEU 53 -5.090 2.912 -2.201 428 H THR 54 H THR 54 0.020 4.914 -5.937 429 HA THR 54 HA THR 54 2.362 3.175 -5.390 430 HB THR 54 HB THR 54 3.430 4.451 -7.336 431 HG1 THR 54 HG1 THR 54 2.223 5.718 -8.586 432 HG21 THR 54 3HG2 THR 54 2.386 3.065 -9.080 433 HG22 THR 54 1HG2 THR 54 1.026 2.712 -8.009 434 HG23 THR 54 2HG2 THR 54 2.646 2.126 -7.607 435 H PHE 55 H PHE 55 3.887 3.989 -4.154 436 HA PHE 55 HA PHE 55 4.091 6.871 -3.515 437 HD1 PHE 55 HD2 PHE 55 2.049 3.689 -1.870 438 HD2 PHE 55 HD1 PHE 55 2.778 7.768 -0.807 439 HE1 PHE 55 HE2 PHE 55 -0.301 3.945 -1.206 440 HE2 PHE 55 HE1 PHE 55 0.427 8.007 -0.146 441 HZ PHE 55 HZ PHE 55 -1.114 6.102 -0.348 442 HB2 PHE 55 1HB PHE 55 4.354 4.539 -1.541 443 HB3 PHE 55 2HB PHE 55 4.635 6.233 -1.159 444 H GLU 56 H GLU 56 6.265 7.550 -3.112 445 HA GLU 56 HA GLU 56 8.218 6.180 -4.694 446 HB2 GLU 56 1HB GLU 56 8.537 8.583 -2.857 447 HB3 GLU 56 2HB GLU 56 9.753 8.021 -4.006 448 HG2 GLU 56 1HG GLU 56 8.130 8.428 -5.861 449 HG3 GLU 56 2HG GLU 56 6.991 9.092 -4.680 450 H THR 57 H THR 57 7.512 6.187 -1.291 451 HA THR 57 HA THR 57 9.735 4.336 -0.745 452 HB THR 57 HB THR 57 10.047 5.385 1.522 453 HG1 THR 57 HG1 THR 57 9.078 7.823 1.074 454 HG21 THR 57 3HG2 THR 57 11.342 7.353 0.783 455 HG22 THR 57 1HG2 THR 57 10.545 7.304 -0.792 456 HG23 THR 57 2HG2 THR 57 11.611 5.985 -0.295 457 H GLN 58 H GLN 58 9.375 2.924 0.999 458 HA GLN 58 HA GLN 58 6.909 1.763 1.448 459 HB2 GLN 58 1HB GLN 58 9.014 0.652 1.978 460 HB3 GLN 58 2HB GLN 58 9.404 1.873 3.188 461 HG2 GLN 58 1HG GLN 58 7.371 1.081 4.485 462 HG3 GLN 58 2HG GLN 58 7.258 -0.256 3.336 463 HE21 GLN 58 2HE2 GLN 58 7.735 -0.321 6.197 464 HE22 GLN 58 1HE2 GLN 58 9.233 -1.156 6.418 465 H GLU 59 H GLU 59 8.612 4.187 3.392 466 HA GLU 59 HA GLU 59 7.071 4.376 5.658 467 HB2 GLU 59 1HB GLU 59 8.566 6.609 4.206 468 HB3 GLU 59 2HB GLU 59 7.901 6.776 5.823 469 HG2 GLU 59 1HG GLU 59 10.254 6.369 6.021 470 HG3 GLU 59 2HG GLU 59 9.401 4.943 6.604 471 H GLN 60 H GLN 60 6.599 6.066 2.581 472 HA GLN 60 HA GLN 60 4.427 7.722 3.451 473 HB2 GLN 60 1HB GLN 60 5.521 7.033 0.694 474 HB3 GLN 60 2HB GLN 60 4.236 8.212 0.961 475 HG2 GLN 60 1HG GLN 60 5.710 9.639 2.242 476 HG3 GLN 60 2HG GLN 60 6.983 8.422 2.237 477 HE21 GLN 60 2HE2 GLN 60 6.768 7.709 -0.540 478 HE22 GLN 60 1HE2 GLN 60 7.386 9.043 -1.444 479 H ALA 61 H ALA 61 4.633 4.460 2.071 480 HA ALA 61 HA ALA 61 1.863 4.295 1.289 481 HB1 ALA 61 3HB ALA 61 3.603 3.000 0.117 482 HB2 ALA 61 1HB ALA 61 2.395 1.927 0.829 483 HB3 ALA 61 2HB ALA 61 3.972 2.119 1.601 484 H GLU 62 H GLU 62 3.858 3.077 3.970 485 HA GLU 62 HA GLU 62 1.738 1.690 5.247 486 HB2 GLU 62 1HB GLU 62 3.251 1.431 7.182 487 HB3 GLU 62 2HB GLU 62 4.037 1.016 5.666 488 HG2 GLU 62 1HG GLU 62 5.228 3.131 5.670 489 HG3 GLU 62 2HG GLU 62 4.396 3.637 7.141 490 H ALA 63 H ALA 63 3.096 4.939 5.722 491 HA ALA 63 HA ALA 63 1.580 5.799 7.897 492 HB1 ALA 63 3HB ALA 63 2.509 7.455 5.519 493 HB2 ALA 63 1HB ALA 63 3.466 7.083 6.955 494 HB3 ALA 63 2HB ALA 63 2.024 8.092 7.093 495 H TYR 64 H TYR 64 0.683 5.623 4.462 496 HA TYR 64 HA TYR 64 -1.747 7.094 4.543 497 HD1 TYR 64 HD1 TYR 64 -3.207 7.743 2.332 498 HD2 TYR 64 HD2 TYR 64 -2.437 3.588 1.688 499 HE1 TYR 64 HE1 TYR 64 -5.367 7.515 1.190 500 HE2 TYR 64 HE2 TYR 64 -4.596 3.362 0.541 501 HH TYR 64 HH TYR 64 -6.486 6.073 -0.402 502 HB2 TYR 64 1HB TYR 64 -0.766 6.656 2.379 503 HB3 TYR 64 2HB TYR 64 -0.722 4.922 2.660 504 H ALA 65 H ALA 65 -1.176 3.579 4.532 505 HA ALA 65 HA ALA 65 -3.717 2.612 5.029 506 HB1 ALA 65 3HB ALA 65 -1.808 1.189 4.386 507 HB2 ALA 65 1HB ALA 65 -2.591 0.557 5.837 508 HB3 ALA 65 2HB ALA 65 -1.069 1.442 5.969 509 H GLN 66 H GLN 66 -1.235 3.509 7.421 510 HA GLN 66 HA GLN 66 -2.559 2.803 9.782 511 HB2 GLN 66 1HB GLN 66 -0.345 4.809 9.228 512 HB3 GLN 66 2HB GLN 66 -0.937 4.520 10.861 513 HG2 GLN 66 1HG GLN 66 -0.285 2.158 10.691 514 HG3 GLN 66 2HG GLN 66 0.275 2.418 9.042 515 HE21 GLN 66 2HE2 GLN 66 2.238 3.525 8.714 516 HE22 GLN 66 1HE2 GLN 66 3.362 3.807 9.992 517 H ARG 67 H ARG 67 -2.446 5.932 8.087 518 HA ARG 67 HA ARG 67 -3.872 7.498 9.915 519 HE ARG 67 HE ARG 67 -1.613 10.030 7.718 520 HB2 ARG 67 1HB ARG 67 -2.485 8.213 7.868 521 HB3 ARG 67 2HB ARG 67 -3.899 7.862 6.890 522 HG2 ARG 67 1HG ARG 67 -5.174 9.591 8.092 523 HG3 ARG 67 2HG ARG 67 -3.788 9.901 9.141 524 HD2 ARG 67 1HD ARG 67 -4.001 10.435 6.159 525 HD3 ARG 67 2HD ARG 67 -3.809 11.620 7.459 526 HH11 ARG 67 1HH1 ARG 67 -2.844 11.959 5.041 527 HH12 ARG 67 2HH1 ARG 67 -1.284 12.110 4.300 528 HH21 ARG 67 1HH2 ARG 67 0.381 10.199 6.703 529 HH22 ARG 67 2HH2 ARG 67 0.537 11.100 5.231 530 H LYS 68 H LYS 68 -4.948 5.263 7.450 531 HA LYS 68 HA LYS 68 -7.774 5.996 7.631 532 HB2 LYS 68 1HB LYS 68 -6.365 3.777 6.084 533 HB3 LYS 68 2HB LYS 68 -8.068 4.202 5.925 534 HG2 LYS 68 1HG LYS 68 -5.769 6.081 5.285 535 HG3 LYS 68 2HG LYS 68 -6.598 5.078 4.087 536 HD2 LYS 68 1HD LYS 68 -8.684 6.262 4.443 537 HD3 LYS 68 2HD LYS 68 -8.018 7.133 5.827 538 HE2 LYS 68 1HE LYS 68 -7.002 7.428 2.976 539 HE3 LYS 68 2HE LYS 68 -8.158 8.518 3.747 540 HZ1 LYS 68 3HZ LYS 68 -5.370 8.007 4.645 541 HZ2 LYS 68 1HZ LYS 68 -6.481 8.995 5.448 542 HZ3 LYS 68 2HZ LYS 68 -5.944 9.410 3.898 543 H GLY 69 H GLY 69 -5.551 3.799 9.153 544 HA2 GLY 69 1HA GLY 69 -6.030 2.449 11.009 545 HA3 GLY 69 2HA GLY 69 -7.724 2.378 10.545 546 H ILE 70 H ILE 70 -6.155 1.926 7.773 547 HA ILE 70 HA ILE 70 -6.792 -0.822 7.478 548 HB ILE 70 HB ILE 70 -4.789 0.706 5.747 549 HG12 ILE 70 1HG1 ILE 70 -7.800 0.465 5.306 550 HG13 ILE 70 2HG1 ILE 70 -7.021 1.885 5.989 551 HG21 ILE 70 1HG2 ILE 70 -4.743 -1.723 5.336 552 HG22 ILE 70 2HG2 ILE 70 -5.441 -0.879 3.953 553 HG23 ILE 70 3HG2 ILE 70 -6.491 -1.730 5.087 554 HD11 ILE 70 3HD1 ILE 70 -6.552 0.793 3.214 555 HD12 ILE 70 1HD1 ILE 70 -5.799 2.234 3.904 556 HD13 ILE 70 2HD1 ILE 70 -7.542 2.190 3.633 557 H GLU 71 H GLU 71 -5.907 -2.344 8.669 558 HA GLU 71 HA GLU 71 -3.259 -2.499 9.691 559 HB2 GLU 71 1HB GLU 71 -3.659 -4.985 9.854 560 HB3 GLU 71 2HB GLU 71 -4.882 -4.003 10.659 561 HG2 GLU 71 1HG GLU 71 -6.462 -4.406 8.869 562 HG3 GLU 71 2HG GLU 71 -5.228 -5.192 7.888 563 H TYR 72 H TYR 72 -1.313 -3.489 8.763 564 HA TYR 72 HA TYR 72 -1.464 -4.088 5.885 565 HD1 TYR 72 HD1 TYR 72 -0.962 -0.902 8.568 566 HD2 TYR 72 HD2 TYR 72 2.402 -2.174 6.263 567 HE1 TYR 72 HE1 TYR 72 0.560 0.133 10.199 568 HE2 TYR 72 HE2 TYR 72 3.917 -1.134 7.888 569 HH TYR 72 HH TYR 72 3.860 0.684 9.568 570 HB2 TYR 72 1HB TYR 72 0.160 -2.357 5.325 571 HB3 TYR 72 2HB TYR 72 -1.208 -1.617 6.142 572 H ARG 73 H ARG 73 0.206 -5.277 5.069 573 HA ARG 73 HA ARG 73 2.367 -6.193 6.875 574 HE ARG 73 HE ARG 73 4.002 -10.783 6.414 575 HB2 ARG 73 1HB ARG 73 0.454 -7.837 6.093 576 HB3 ARG 73 2HB ARG 73 1.278 -7.826 4.544 577 HG2 ARG 73 1HG ARG 73 2.511 -8.714 7.184 578 HG3 ARG 73 2HG ARG 73 1.822 -9.793 5.977 579 HD2 ARG 73 1HD ARG 73 3.571 -8.991 4.357 580 HD3 ARG 73 2HD ARG 73 4.294 -8.050 5.668 581 HH11 ARG 73 1HH1 ARG 73 6.108 -8.683 4.526 582 HH12 ARG 73 2HH1 ARG 73 7.433 -9.794 4.573 583 HH21 ARG 73 1HH2 ARG 73 5.727 -12.218 6.431 584 HH22 ARG 73 2HH2 ARG 73 7.221 -11.788 5.660 585 H VAL 74 H VAL 74 4.125 -5.071 6.232 586 HA VAL 74 HA VAL 74 4.655 -4.379 3.464 587 HB VAL 74 HB VAL 74 6.497 -4.036 5.880 588 HG11 VAL 74 1HG1 VAL 74 6.689 -2.819 3.084 589 HG12 VAL 74 2HG1 VAL 74 7.731 -4.091 3.730 590 HG13 VAL 74 3HG1 VAL 74 7.768 -2.482 4.439 591 HG21 VAL 74 3HG2 VAL 74 4.450 -2.709 6.179 592 HG22 VAL 74 1HG2 VAL 74 4.653 -1.992 4.577 593 HG23 VAL 74 2HG2 VAL 74 5.824 -1.650 5.854 594 H ILE 75 H ILE 75 6.056 -5.378 2.160 595 HA ILE 75 HA ILE 75 7.374 -7.897 2.951 596 HB ILE 75 HB ILE 75 5.821 -7.189 0.413 597 HG12 ILE 75 1HG1 ILE 75 5.052 -9.653 1.923 598 HG13 ILE 75 2HG1 ILE 75 4.799 -8.169 2.820 599 HG21 ILE 75 1HG2 ILE 75 7.776 -8.486 -0.256 600 HG22 ILE 75 2HG2 ILE 75 6.316 -9.462 -0.435 601 HG23 ILE 75 3HG2 ILE 75 7.394 -9.733 0.935 602 HD11 ILE 75 3HD1 ILE 75 3.368 -7.321 1.053 603 HD12 ILE 75 1HD1 ILE 75 2.799 -8.879 1.656 604 HD13 ILE 75 2HD1 ILE 75 3.646 -8.788 0.111 605 H LEU 76 H LEU 76 9.528 -7.869 2.530 606 HA LEU 76 HA LEU 76 10.909 -5.717 1.441 607 HG LEU 76 HG LEU 76 11.580 -7.304 3.959 608 HB2 LEU 76 1HB LEU 76 11.772 -8.592 1.829 609 HB3 LEU 76 2HB LEU 76 12.861 -7.373 1.192 610 HD11 LEU 76 1HD1 LEU 76 13.317 -9.022 3.765 611 HD12 LEU 76 2HD1 LEU 76 13.836 -7.697 4.804 612 HD13 LEU 76 3HD1 LEU 76 14.459 -7.819 3.154 613 HD21 LEU 76 3HD2 LEU 76 11.879 -5.035 3.076 614 HD22 LEU 76 1HD2 LEU 76 13.569 -5.381 2.691 615 HD23 LEU 76 2HD2 LEU 76 13.028 -5.351 4.373 616 HA PRO 77 HA PRO 77 10.174 -6.330 -2.897 617 HB2 PRO 77 1HB PRO 77 11.865 -4.461 -3.903 618 HB3 PRO 77 2HB PRO 77 10.424 -4.031 -2.977 619 HG2 PRO 77 1HG PRO 77 13.284 -4.165 -2.065 620 HG3 PRO 77 2HG PRO 77 12.063 -2.917 -1.727 621 HD2 PRO 77 1HD PRO 77 12.722 -4.944 0.018 622 HD3 PRO 77 2HD PRO 77 11.142 -4.149 0.008 623 H LYS 78 H LYS 78 11.315 -6.690 -4.949 624 HA LYS 78 HA LYS 78 13.101 -8.855 -4.910 625 HB2 LYS 78 1HB LYS 78 13.210 -8.360 -7.482 626 HB3 LYS 78 2HB LYS 78 11.685 -8.835 -6.766 627 HG2 LYS 78 1HG LYS 78 11.134 -7.112 -8.282 628 HG3 LYS 78 2HG LYS 78 11.066 -6.362 -6.688 629 HD2 LYS 78 1HD LYS 78 12.134 -4.845 -8.250 630 HD3 LYS 78 2HD LYS 78 13.327 -5.396 -7.076 631 HE2 LYS 78 1HE LYS 78 14.164 -7.046 -8.761 632 HE3 LYS 78 2HE LYS 78 13.013 -6.397 -9.930 633 HZ1 LYS 78 3HZ LYS 78 15.191 -5.446 -10.233 634 HZ2 LYS 78 1HZ LYS 78 15.223 -4.888 -8.644 635 HZ3 LYS 78 2HZ LYS 78 14.111 -4.245 -9.741 636 H GLU 79 H GLU 79 13.717 -5.429 -4.978 637 HA GLU 79 HA GLU 79 16.452 -5.577 -5.893 638 HB2 GLU 79 1HB GLU 79 16.545 -3.150 -5.319 639 HB3 GLU 79 2HB GLU 79 15.180 -3.554 -6.351 640 HG2 GLU 79 1HG GLU 79 13.681 -3.507 -4.375 641 HG3 GLU 79 2HG GLU 79 15.053 -3.063 -3.359 642 H ALA 80 H ALA 80 14.834 -5.818 -2.810 643 HA ALA 80 HA ALA 80 17.161 -5.311 -1.160 644 HB1 ALA 80 3HB ALA 80 14.879 -4.851 -0.314 645 HB2 ALA 80 1HB ALA 80 15.732 -6.003 0.719 646 HB3 ALA 80 2HB ALA 80 14.496 -6.573 -0.409 Start of MODEL 6 1 H MET 1 H MET 1 -9.757 -5.024 7.329 2 HA MET 1 HA MET 1 -9.627 -5.252 4.983 3 HB2 MET 1 1HB MET 1 -9.287 -2.220 4.930 4 HB3 MET 1 2HB MET 1 -9.180 -3.294 3.536 5 HG2 MET 1 1HG MET 1 -11.298 -2.218 3.474 6 HG3 MET 1 2HG MET 1 -11.589 -3.899 3.923 7 HE1 MET 1 3HE MET 1 -13.841 -1.712 4.312 8 HE2 MET 1 1HE MET 1 -14.392 -2.047 5.955 9 HE3 MET 1 2HE MET 1 -14.047 -3.380 4.855 10 H SER 2 H SER 2 -7.523 -5.586 4.072 11 HA SER 2 HA SER 2 -5.286 -4.748 5.822 12 HG SER 2 HG SER 2 -3.664 -6.334 6.225 13 HB2 SER 2 1HB SER 2 -5.863 -7.184 6.001 14 HB3 SER 2 2HB SER 2 -5.474 -7.368 4.294 15 H ALA 3 H ALA 3 -3.610 -3.812 4.886 16 HA ALA 3 HA ALA 3 -3.597 -3.418 1.947 17 HB1 ALA 3 3HB ALA 3 -2.273 -1.769 4.137 18 HB2 ALA 3 1HB ALA 3 -3.735 -1.340 3.243 19 HB3 ALA 3 2HB ALA 3 -2.190 -1.442 2.404 20 H LYS 4 H LYS 4 -1.851 -4.072 0.800 21 HA LYS 4 HA LYS 4 0.415 -5.356 2.165 22 HB2 LYS 4 1HB LYS 4 0.766 -6.705 0.111 23 HB3 LYS 4 2HB LYS 4 -0.809 -7.009 0.828 24 HG2 LYS 4 1HG LYS 4 -1.913 -5.690 -0.891 25 HG3 LYS 4 2HG LYS 4 -0.360 -5.200 -1.566 26 HD2 LYS 4 1HD LYS 4 -1.247 -6.938 -2.981 27 HD3 LYS 4 2HD LYS 4 0.110 -7.629 -2.084 28 HE2 LYS 4 1HE LYS 4 -1.713 -9.235 -2.128 29 HE3 LYS 4 2HE LYS 4 -1.541 -8.636 -0.478 30 HZ1 LYS 4 3HZ LYS 4 -3.548 -7.698 -2.453 31 HZ2 LYS 4 1HZ LYS 4 -3.397 -7.144 -0.865 32 HZ3 LYS 4 2HZ LYS 4 -3.854 -8.743 -1.164 33 H ILE 5 H ILE 5 2.205 -4.229 2.045 34 HA ILE 5 HA ILE 5 2.557 -2.131 -0.024 35 HB ILE 5 HB ILE 5 4.012 -2.377 2.658 36 HG12 ILE 5 1HG1 ILE 5 2.825 -0.052 3.034 37 HG13 ILE 5 2HG1 ILE 5 1.721 -0.596 1.780 38 HG21 ILE 5 1HG2 ILE 5 4.254 -0.220 0.520 39 HG22 ILE 5 2HG2 ILE 5 5.468 -1.441 0.916 40 HG23 ILE 5 3HG2 ILE 5 5.050 -0.200 2.103 41 HD11 ILE 5 3HD1 ILE 5 1.079 -2.482 3.134 42 HD12 ILE 5 1HD1 ILE 5 0.862 -0.960 3.993 43 HD13 ILE 5 2HD1 ILE 5 2.239 -1.990 4.377 44 H TYR 6 H TYR 6 3.999 -2.636 -1.539 45 HA TYR 6 HA TYR 6 6.286 -4.372 -1.035 46 HD1 TYR 6 HD1 TYR 6 2.258 -4.848 -1.773 47 HD2 TYR 6 HD2 TYR 6 4.865 -5.431 -5.115 48 HE1 TYR 6 HE1 TYR 6 0.382 -4.443 -3.302 49 HE2 TYR 6 HE2 TYR 6 2.988 -5.019 -6.641 50 HH TYR 6 HH TYR 6 0.600 -5.047 -6.692 51 HB2 TYR 6 1HB TYR 6 5.668 -5.939 -2.896 52 HB3 TYR 6 2HB TYR 6 4.540 -6.038 -1.549 53 H ARG 7 H ARG 7 7.523 -4.560 -3.151 54 HA ARG 7 HA ARG 7 7.092 -2.288 -4.977 55 HE ARG 7 HE ARG 7 11.209 0.320 -6.433 56 HB2 ARG 7 1HB ARG 7 8.741 -1.565 -3.273 57 HB3 ARG 7 2HB ARG 7 9.754 -2.946 -3.658 58 HG2 ARG 7 1HG ARG 7 10.097 -2.042 -5.953 59 HG3 ARG 7 2HG ARG 7 9.070 -0.669 -5.548 60 HD2 ARG 7 1HD ARG 7 10.648 0.047 -3.824 61 HD3 ARG 7 2HD ARG 7 11.652 -1.376 -4.125 62 HH11 ARG 7 1HH1 ARG 7 13.305 -0.258 -3.685 63 HH12 ARG 7 2HH1 ARG 7 14.682 0.496 -4.417 64 HH21 ARG 7 1HH2 ARG 7 12.986 1.360 -7.351 65 HH22 ARG 7 2HH2 ARG 7 14.495 1.420 -6.504 66 HA PRO 8 HA PRO 8 7.635 -6.205 -7.210 67 HB2 PRO 8 1HB PRO 8 6.224 -5.539 -9.457 68 HB3 PRO 8 2HB PRO 8 5.435 -5.991 -7.936 69 HG2 PRO 8 1HG PRO 8 5.922 -3.248 -9.080 70 HG3 PRO 8 2HG PRO 8 4.472 -3.877 -8.268 71 HD2 PRO 8 1HD PRO 8 6.361 -2.305 -7.013 72 HD3 PRO 8 2HD PRO 8 5.338 -3.475 -6.155 73 H ALA 9 H ALA 9 9.127 -6.846 -8.720 74 HA ALA 9 HA ALA 9 11.057 -5.137 -9.868 75 HB1 ALA 9 3HB ALA 9 11.734 -7.114 -11.201 76 HB2 ALA 9 1HB ALA 9 10.252 -7.949 -10.717 77 HB3 ALA 9 2HB ALA 9 11.468 -7.535 -9.510 78 H LYS 10 H LYS 10 7.993 -6.395 -10.996 79 HA LYS 10 HA LYS 10 8.140 -4.914 -13.530 80 HB2 LYS 10 1HB LYS 10 6.027 -6.107 -14.078 81 HB3 LYS 10 2HB LYS 10 7.382 -7.183 -13.793 82 HG2 LYS 10 1HG LYS 10 6.492 -7.980 -11.743 83 HG3 LYS 10 2HG LYS 10 5.383 -6.620 -11.585 84 HD2 LYS 10 1HD LYS 10 5.177 -8.856 -13.642 85 HD3 LYS 10 2HD LYS 10 4.170 -8.675 -12.201 86 HE2 LYS 10 1HE LYS 10 3.279 -6.541 -13.095 87 HE3 LYS 10 2HE LYS 10 4.292 -6.715 -14.530 88 HZ1 LYS 10 3HZ LYS 10 2.045 -7.426 -14.951 89 HZ2 LYS 10 1HZ LYS 10 2.121 -8.552 -13.696 90 HZ3 LYS 10 2HZ LYS 10 3.095 -8.745 -15.063 91 H THR 11 H THR 11 8.029 -2.844 -12.561 92 HA THR 11 HA THR 11 5.455 -1.953 -11.428 93 HB THR 11 HB THR 11 6.693 0.340 -11.374 94 HG1 THR 11 HG1 THR 11 8.608 0.377 -12.221 95 HG21 THR 11 3HG2 THR 11 7.966 -0.190 -9.338 96 HG22 THR 11 1HG2 THR 11 7.868 -1.914 -9.708 97 HG23 THR 11 2HG2 THR 11 6.403 -1.009 -9.323 98 H ALA 12 H ALA 12 4.869 0.387 -12.410 99 HA ALA 12 HA ALA 12 4.157 0.177 -15.141 100 HB1 ALA 12 3HB ALA 12 4.385 2.673 -13.423 101 HB2 ALA 12 1HB ALA 12 2.956 1.646 -13.552 102 HB3 ALA 12 2HB ALA 12 3.522 2.552 -14.958 103 H MET 13 H MET 13 5.116 0.978 -16.986 104 HA MET 13 HA MET 13 6.686 1.605 -18.479 105 HB2 MET 13 1HB MET 13 7.863 3.201 -16.166 106 HB3 MET 13 2HB MET 13 8.351 3.373 -17.849 107 HG2 MET 13 1HG MET 13 6.250 4.326 -18.455 108 HG3 MET 13 2HG MET 13 5.504 3.851 -16.929 109 HE1 MET 13 3HE MET 13 7.137 6.309 -14.368 110 HE2 MET 13 1HE MET 13 7.653 4.662 -14.729 111 HE3 MET 13 2HE MET 13 5.932 5.044 -14.611 112 H GLN 14 H GLN 14 6.908 -0.814 -17.007 113 HA GLN 14 HA GLN 14 9.239 -1.591 -15.818 114 HB2 GLN 14 1HB GLN 14 7.266 -3.037 -16.021 115 HB3 GLN 14 2HB GLN 14 7.529 -3.207 -17.751 116 HG2 GLN 14 1HG GLN 14 9.742 -4.331 -17.197 117 HG3 GLN 14 2HG GLN 14 9.236 -4.328 -15.507 118 HE21 GLN 14 2HE2 GLN 14 9.795 -6.587 -17.313 119 HE22 GLN 14 1HE2 GLN 14 8.357 -7.548 -17.328 120 H SER 15 H SER 15 11.254 -2.223 -16.383 121 HA SER 15 HA SER 15 13.125 -2.778 -17.497 122 HG SER 15 HG SER 15 13.700 -2.623 -20.718 123 HB2 SER 15 1HB SER 15 11.797 -4.014 -19.205 124 HB3 SER 15 2HB SER 15 11.623 -2.525 -20.129 125 H GLY 16 H GLY 16 11.276 0.017 -18.639 126 HA2 GLY 16 1HA GLY 16 13.790 1.602 -18.768 127 HA3 GLY 16 2HA GLY 16 12.240 2.066 -19.460 128 H THR 17 H THR 17 12.182 0.628 -16.343 129 HA THR 17 HA THR 17 11.101 3.089 -15.178 130 HB THR 17 HB THR 17 9.729 1.026 -15.120 131 HG1 THR 17 HG1 THR 17 9.157 2.316 -13.490 132 HG21 THR 17 3HG2 THR 17 11.474 -0.707 -14.914 133 HG22 THR 17 1HG2 THR 17 10.280 -0.862 -13.621 134 HG23 THR 17 2HG2 THR 17 11.858 -0.147 -13.283 135 H ALA 18 H ALA 18 13.799 3.257 -15.532 136 HA ALA 18 HA ALA 18 15.480 2.334 -13.471 137 HB1 ALA 18 3HB ALA 18 15.839 4.768 -15.257 138 HB2 ALA 18 1HB ALA 18 16.286 3.109 -15.673 139 HB3 ALA 18 2HB ALA 18 17.109 3.938 -14.349 140 H LYS 19 H LYS 19 14.944 2.738 -11.414 141 HA LYS 19 HA LYS 19 14.950 3.745 -9.414 142 HB2 LYS 19 1HB LYS 19 15.396 6.367 -10.892 143 HB3 LYS 19 2HB LYS 19 15.368 6.228 -9.140 144 HG2 LYS 19 1HG LYS 19 17.328 4.553 -10.716 145 HG3 LYS 19 2HG LYS 19 17.658 6.265 -10.481 146 HD2 LYS 19 1HD LYS 19 18.836 5.065 -8.779 147 HD3 LYS 19 2HD LYS 19 17.495 5.892 -7.997 148 HE2 LYS 19 1HE LYS 19 17.789 3.627 -7.093 149 HE3 LYS 19 2HE LYS 19 16.233 3.777 -7.910 150 HZ1 LYS 19 3HZ LYS 19 17.444 1.693 -8.392 151 HZ2 LYS 19 1HZ LYS 19 18.651 2.591 -9.157 152 HZ3 LYS 19 2HZ LYS 19 17.084 2.586 -9.780 153 H THR 20 H THR 20 12.832 5.127 -11.898 154 HA THR 20 HA THR 20 10.783 5.955 -10.075 155 HB THR 20 HB THR 20 11.000 6.945 -12.328 156 HG1 THR 20 HG1 THR 20 8.969 7.092 -11.389 157 HG21 THR 20 3HG2 THR 20 10.225 5.751 -14.331 158 HG22 THR 20 1HG2 THR 20 10.026 4.277 -13.387 159 HG23 THR 20 2HG2 THR 20 11.635 4.959 -13.628 160 H ASN 21 H ASN 21 11.839 2.859 -11.004 161 HA ASN 21 HA ASN 21 9.582 1.282 -10.390 162 HB2 ASN 21 1HB ASN 21 11.774 0.348 -11.160 163 HB3 ASN 21 2HB ASN 21 12.515 0.817 -9.639 164 HD21 ASN 21 2HD2 ASN 21 10.391 -1.444 -11.223 165 HD22 ASN 21 1HD2 ASN 21 10.303 -2.587 -9.930 166 H VAL 22 H VAL 22 8.321 1.614 -8.643 167 HA VAL 22 HA VAL 22 9.462 2.541 -6.070 168 HB VAL 22 HB VAL 22 7.403 4.058 -5.867 169 HG11 VAL 22 1HG1 VAL 22 8.355 5.896 -7.202 170 HG12 VAL 22 2HG1 VAL 22 9.375 4.742 -8.067 171 HG13 VAL 22 3HG1 VAL 22 9.613 5.004 -6.337 172 HG21 VAL 22 3HG2 VAL 22 6.046 3.013 -7.655 173 HG22 VAL 22 1HG2 VAL 22 7.202 3.579 -8.866 174 HG23 VAL 22 2HG2 VAL 22 6.252 4.745 -7.935 175 H TRP 23 H TRP 23 7.238 2.696 -4.540 176 HA TRP 23 HA TRP 23 6.709 -0.159 -4.139 177 HD1 TRP 23 HD1 TRP 23 9.229 2.409 -2.885 178 HE1 TRP 23 HE1 TRP 23 11.162 1.257 -1.668 179 HE3 TRP 23 HE3 TRP 23 6.642 -1.361 -0.584 180 HZ2 TRP 23 HZ2 TRP 23 11.572 -0.954 0.028 181 HZ3 TRP 23 HZ3 TRP 23 7.882 -2.960 0.817 182 HH2 TRP 23 HH2 TRP 23 10.304 -2.762 1.117 183 HB2 TRP 23 1HB TRP 23 6.468 2.247 -2.272 184 HB3 TRP 23 2HB TRP 23 5.933 0.625 -1.837 185 H VAL 24 H VAL 24 4.713 -0.975 -4.407 186 HA VAL 24 HA VAL 24 2.455 0.836 -4.959 187 HB VAL 24 HB VAL 24 2.637 -2.176 -5.439 188 HG11 VAL 24 1HG1 VAL 24 0.592 -1.877 -6.809 189 HG12 VAL 24 2HG1 VAL 24 0.548 -0.167 -6.378 190 HG13 VAL 24 3HG1 VAL 24 0.312 -1.397 -5.134 191 HG21 VAL 24 3HG2 VAL 24 2.906 -1.638 -7.831 192 HG22 VAL 24 1HG2 VAL 24 4.236 -0.976 -6.876 193 HG23 VAL 24 2HG2 VAL 24 2.945 0.084 -7.449 194 H LEU 25 H LEU 25 0.728 0.861 -3.676 195 HA LEU 25 HA LEU 25 0.543 -0.798 -1.250 196 HG LEU 25 HG LEU 25 -2.080 0.870 -0.383 197 HB2 LEU 25 1HB LEU 25 0.866 1.569 -0.719 198 HB3 LEU 25 2HB LEU 25 -0.387 2.046 -1.850 199 HD11 LEU 25 1HD1 LEU 25 0.213 0.631 1.581 200 HD12 LEU 25 2HD1 LEU 25 -0.591 -0.704 0.752 201 HD13 LEU 25 3HD1 LEU 25 -1.484 0.276 1.912 202 HD21 LEU 25 3HD2 LEU 25 -0.509 3.093 0.950 203 HD22 LEU 25 1HD2 LEU 25 -2.167 2.610 1.336 204 HD23 LEU 25 2HD2 LEU 25 -1.795 3.289 -0.249 205 H GLU 26 H GLU 26 -0.842 -2.375 -1.778 206 HA GLU 26 HA GLU 26 -3.326 -1.670 -3.260 207 HB2 GLU 26 1HB GLU 26 -1.800 -3.190 -4.523 208 HB3 GLU 26 2HB GLU 26 -1.858 -4.347 -3.205 209 HG2 GLU 26 1HG GLU 26 -4.513 -3.583 -4.346 210 HG3 GLU 26 2HG GLU 26 -3.448 -4.459 -5.439 211 H PHE 27 H PHE 27 -5.200 -2.005 -2.170 212 HA PHE 27 HA PHE 27 -5.337 -3.957 -0.020 213 HD1 PHE 27 HD1 PHE 27 -4.190 0.070 -0.140 214 HD2 PHE 27 HD2 PHE 27 -8.171 -0.823 1.180 215 HE1 PHE 27 HE1 PHE 27 -4.845 2.404 -0.502 216 HE2 PHE 27 HE2 PHE 27 -8.812 1.523 0.815 217 HZ PHE 27 HZ PHE 27 -7.148 3.139 -0.025 218 HB2 PHE 27 1HB PHE 27 -6.370 -2.394 1.599 219 HB3 PHE 27 2HB PHE 27 -4.710 -1.981 1.237 220 H ASP 28 H ASP 28 -7.413 -4.544 0.577 221 HA ASP 28 HA ASP 28 -9.477 -4.472 -1.406 222 HB2 ASP 28 1HB ASP 28 -9.675 -5.196 1.572 223 HB3 ASP 28 2HB ASP 28 -10.873 -5.574 0.334 224 H ALA 29 H ALA 29 -10.723 -2.699 -1.808 225 HA ALA 29 HA ALA 29 -10.294 -0.244 -0.546 226 HB1 ALA 29 3HB ALA 29 -12.711 -1.010 -2.216 227 HB2 ALA 29 1HB ALA 29 -11.156 -0.451 -2.838 228 HB3 ALA 29 2HB ALA 29 -12.159 0.635 -1.872 229 H GLU 30 H GLU 30 -11.073 0.729 1.202 230 HA GLU 30 HA GLU 30 -12.724 -0.625 3.102 231 HB2 GLU 30 1HB GLU 30 -12.430 1.449 4.478 232 HB3 GLU 30 2HB GLU 30 -10.909 0.792 3.879 233 HG2 GLU 30 1HG GLU 30 -10.748 2.505 2.182 234 HG3 GLU 30 2HG GLU 30 -12.375 3.086 2.540 235 H VAL 31 H VAL 31 -13.649 1.078 0.381 236 HA VAL 31 HA VAL 31 -15.936 2.484 1.381 237 HB VAL 31 HB VAL 31 -14.762 3.159 -0.716 238 HG11 VAL 31 1HG1 VAL 31 -15.912 0.642 -1.965 239 HG12 VAL 31 2HG1 VAL 31 -14.208 0.948 -1.634 240 HG13 VAL 31 3HG1 VAL 31 -15.062 1.923 -2.832 241 HG21 VAL 31 3HG2 VAL 31 -17.076 3.917 -0.391 242 HG22 VAL 31 1HG2 VAL 31 -17.686 2.457 -1.170 243 HG23 VAL 31 2HG2 VAL 31 -16.764 3.639 -2.105 244 HA PRO 32 HA PRO 32 -18.794 -1.136 1.267 245 HB2 PRO 32 1HB PRO 32 -21.153 0.238 1.529 246 HB3 PRO 32 2HB PRO 32 -20.074 -0.058 2.900 247 HG2 PRO 32 1HG PRO 32 -20.310 2.427 1.190 248 HG3 PRO 32 2HG PRO 32 -20.246 2.296 2.963 249 HD2 PRO 32 1HD PRO 32 -18.043 2.927 1.521 250 HD3 PRO 32 2HD PRO 32 -17.932 1.926 2.984 251 H ARG 33 H ARG 33 -21.035 -1.417 -0.085 252 HA ARG 33 HA ARG 33 -20.389 -0.942 -2.841 253 HE ARG 33 HE ARG 33 -25.514 -2.445 -0.077 254 HB2 ARG 33 1HB ARG 33 -22.532 -2.061 -3.357 255 HB3 ARG 33 2HB ARG 33 -21.494 -3.001 -2.313 256 HG2 ARG 33 1HG ARG 33 -23.282 -3.344 -0.976 257 HG3 ARG 33 2HG ARG 33 -23.177 -1.649 -0.505 258 HD2 ARG 33 1HD ARG 33 -24.718 -1.056 -2.358 259 HD3 ARG 33 2HD ARG 33 -24.827 -2.767 -2.796 260 HH11 ARG 33 1HH1 ARG 33 -26.867 -1.779 -3.265 261 HH12 ARG 33 2HH1 ARG 33 -28.505 -1.833 -2.703 262 HH21 ARG 33 1HH2 ARG 33 -27.666 -2.482 0.632 263 HH22 ARG 33 2HH2 ARG 33 -28.954 -2.244 -0.505 264 H LYS 34 H LYS 34 -20.162 1.264 -2.860 265 HA LYS 34 HA LYS 34 -22.619 2.856 -3.201 266 HB2 LYS 34 1HB LYS 34 -21.691 3.193 -0.856 267 HB3 LYS 34 2HB LYS 34 -20.179 3.744 -1.566 268 HG2 LYS 34 1HG LYS 34 -21.562 5.628 -0.787 269 HG3 LYS 34 2HG LYS 34 -21.315 5.693 -2.535 270 HD2 LYS 34 1HD LYS 34 -23.601 4.601 -2.799 271 HD3 LYS 34 2HD LYS 34 -23.825 4.801 -1.057 272 HE2 LYS 34 1HE LYS 34 -23.608 7.252 -1.308 273 HE3 LYS 34 2HE LYS 34 -23.351 7.065 -3.043 274 HZ1 LYS 34 3HZ LYS 34 -25.804 6.366 -1.540 275 HZ2 LYS 34 1HZ LYS 34 -25.572 6.099 -3.194 276 HZ3 LYS 34 2HZ LYS 34 -25.598 7.673 -2.589 277 H ILE 35 H ILE 35 -20.654 1.489 -4.938 278 HA ILE 35 HA ILE 35 -19.093 3.492 -6.271 279 HB ILE 35 HB ILE 35 -18.677 1.833 -8.011 280 HG12 ILE 35 1HG1 ILE 35 -20.732 0.008 -6.673 281 HG13 ILE 35 2HG1 ILE 35 -21.039 0.923 -8.142 282 HG21 ILE 35 1HG2 ILE 35 -18.614 0.520 -5.265 283 HG22 ILE 35 2HG2 ILE 35 -17.382 1.591 -5.937 284 HG23 ILE 35 3HG2 ILE 35 -17.671 0.014 -6.670 285 HD11 ILE 35 3HD1 ILE 35 -19.262 -0.343 -9.282 286 HD12 ILE 35 1HD1 ILE 35 -20.550 -1.377 -8.658 287 HD13 ILE 35 2HD1 ILE 35 -19.013 -1.279 -7.805 288 H ASP 36 H ASP 36 -19.521 4.088 -8.589 289 HA ASP 36 HA ASP 36 -22.139 5.206 -8.833 290 HB2 ASP 36 1HB ASP 36 -19.823 5.133 -10.812 291 HB3 ASP 36 2HB ASP 36 -21.292 6.082 -11.026 292 HA PRO 37 HA PRO 37 -23.931 1.640 -11.057 293 HB2 PRO 37 1HB PRO 37 -26.419 2.666 -11.472 294 HB3 PRO 37 2HB PRO 37 -25.892 2.108 -9.877 295 HG2 PRO 37 1HG PRO 37 -25.952 4.934 -10.961 296 HG3 PRO 37 2HG PRO 37 -26.537 4.328 -9.394 297 HD2 PRO 37 1HD PRO 37 -24.109 5.532 -9.650 298 HD3 PRO 37 2HD PRO 37 -24.384 4.220 -8.481 299 H ILE 38 H ILE 38 -23.339 4.807 -12.158 300 HA ILE 38 HA ILE 38 -24.146 4.740 -14.865 301 HB ILE 38 HB ILE 38 -21.867 6.293 -13.548 302 HG12 ILE 38 1HG1 ILE 38 -24.020 6.752 -12.434 303 HG13 ILE 38 2HG1 ILE 38 -23.487 8.168 -13.326 304 HG21 ILE 38 1HG2 ILE 38 -22.099 7.918 -15.411 305 HG22 ILE 38 2HG2 ILE 38 -23.267 6.849 -16.188 306 HG23 ILE 38 3HG2 ILE 38 -21.597 6.323 -15.977 307 HD11 ILE 38 3HD1 ILE 38 -25.870 7.846 -13.536 308 HD12 ILE 38 1HD1 ILE 38 -25.631 6.221 -14.180 309 HD13 ILE 38 2HD1 ILE 38 -25.099 7.630 -15.107 310 H MET 39 H MET 39 -21.390 3.422 -13.157 311 HA MET 39 HA MET 39 -19.668 2.887 -15.357 312 HB2 MET 39 1HB MET 39 -19.868 1.519 -12.637 313 HB3 MET 39 2HB MET 39 -18.540 1.299 -13.773 314 HG2 MET 39 1HG MET 39 -17.883 3.615 -13.539 315 HG3 MET 39 2HG MET 39 -19.309 3.964 -12.559 316 HE1 MET 39 3HE MET 39 -16.266 4.705 -11.655 317 HE2 MET 39 1HE MET 39 -16.413 4.296 -9.945 318 HE3 MET 39 2HE MET 39 -17.740 5.113 -10.771 319 H GLY 40 H GLY 40 -21.691 0.600 -13.468 320 HA2 GLY 40 1HA GLY 40 -22.850 -1.289 -14.022 321 HA3 GLY 40 2HA GLY 40 -23.000 -0.618 -15.639 322 H TYR 41 H TYR 41 -22.880 -2.902 -16.261 323 HA TYR 41 HA TYR 41 -21.901 -4.647 -17.310 324 HD1 TYR 41 HD1 TYR 41 -21.753 -4.420 -20.025 325 HD2 TYR 41 HD2 TYR 41 -20.468 -0.699 -18.354 326 HE1 TYR 41 HE1 TYR 41 -23.009 -3.212 -21.749 327 HE2 TYR 41 HE2 TYR 41 -21.717 0.508 -20.092 328 HH TYR 41 HH TYR 41 -22.619 0.157 -22.297 329 HB2 TYR 41 1HB TYR 41 -19.524 -2.745 -17.513 330 HB3 TYR 41 2HB TYR 41 -19.699 -4.229 -18.445 331 H THR 42 H THR 42 -21.538 -4.340 -14.344 332 HA THR 42 HA THR 42 -19.065 -5.832 -13.815 333 HB THR 42 HB THR 42 -19.318 -3.895 -12.407 334 HG1 THR 42 HG1 THR 42 -20.014 -6.102 -10.756 335 HG21 THR 42 3HG2 THR 42 -21.178 -3.521 -10.828 336 HG22 THR 42 1HG2 THR 42 -22.016 -4.942 -11.467 337 HG23 THR 42 2HG2 THR 42 -21.763 -3.528 -12.495 338 H SER 43 H SER 43 -19.508 -7.840 -14.522 339 HA SER 43 HA SER 43 -21.861 -9.355 -14.105 340 HG SER 43 HG SER 43 -18.301 -9.597 -15.430 341 HB2 SER 43 1HB SER 43 -20.407 -11.290 -14.841 342 HB3 SER 43 2HB SER 43 -20.336 -9.901 -15.928 343 H SER 44 H SER 44 -18.949 -8.904 -12.232 344 HA SER 44 HA SER 44 -19.501 -10.918 -10.237 345 HG SER 44 HG SER 44 -16.467 -8.194 -10.420 346 HB2 SER 44 1HB SER 44 -17.595 -9.752 -9.034 347 HB3 SER 44 2HB SER 44 -17.188 -10.285 -10.666 348 H SER 45 H SER 45 -20.347 -10.582 -8.178 349 HA SER 45 HA SER 45 -22.122 -8.364 -7.714 350 HG SER 45 HG SER 45 -22.653 -10.794 -7.980 351 HB2 SER 45 1HB SER 45 -21.233 -10.551 -5.783 352 HB3 SER 45 2HB SER 45 -22.630 -9.491 -5.589 353 H ASP 46 H ASP 46 -20.624 -6.618 -7.876 354 HA ASP 46 HA ASP 46 -18.254 -6.417 -6.292 355 HB2 ASP 46 1HB ASP 46 -18.529 -5.343 -8.547 356 HB3 ASP 46 2HB ASP 46 -19.702 -4.232 -7.856 357 H MET 47 H MET 47 -18.314 -6.074 -4.171 358 HA MET 47 HA MET 47 -20.257 -4.213 -2.968 359 HB2 MET 47 1HB MET 47 -19.819 -6.475 -1.901 360 HB3 MET 47 2HB MET 47 -18.171 -5.956 -1.575 361 HG2 MET 47 1HG MET 47 -19.043 -4.128 -0.158 362 HG3 MET 47 2HG MET 47 -20.689 -4.682 -0.464 363 HE1 MET 47 3HE MET 47 -20.285 -7.889 -0.400 364 HE2 MET 47 1HE MET 47 -21.626 -7.063 0.403 365 HE3 MET 47 2HE MET 47 -20.637 -8.218 1.297 366 H LYS 48 H LYS 48 -16.876 -4.620 -3.740 367 HA LYS 48 HA LYS 48 -16.460 -1.800 -3.894 368 HB2 LYS 48 1HB LYS 48 -14.535 -1.596 -2.381 369 HB3 LYS 48 2HB LYS 48 -15.953 -2.077 -1.470 370 HG2 LYS 48 1HG LYS 48 -13.879 -4.092 -2.368 371 HG3 LYS 48 2HG LYS 48 -13.702 -3.174 -0.877 372 HD2 LYS 48 1HD LYS 48 -15.932 -5.123 -1.558 373 HD3 LYS 48 2HD LYS 48 -14.628 -5.367 -0.390 374 HE2 LYS 48 1HE LYS 48 -16.910 -3.371 -0.189 375 HE3 LYS 48 2HE LYS 48 -16.668 -4.811 0.801 376 HZ1 LYS 48 3HZ LYS 48 -14.719 -3.819 1.761 377 HZ2 LYS 48 1HZ LYS 48 -16.015 -2.755 1.926 378 HZ3 LYS 48 2HZ LYS 48 -14.837 -2.467 0.752 379 H GLN 49 H GLN 49 -14.602 -1.335 -5.125 380 HA GLN 49 HA GLN 49 -13.522 -3.454 -6.772 381 HB2 GLN 49 1HB GLN 49 -12.324 -1.650 -7.930 382 HB3 GLN 49 2HB GLN 49 -14.001 -1.181 -7.688 383 HG2 GLN 49 1HG GLN 49 -13.333 0.232 -5.769 384 HG3 GLN 49 2HG GLN 49 -11.652 -0.232 -6.016 385 HE21 GLN 49 2HE2 GLN 49 -11.878 -0.077 -8.974 386 HE22 GLN 49 1HE2 GLN 49 -11.910 1.609 -9.339 387 H GLN 50 H GLN 50 -11.146 -3.806 -6.973 388 HA GLN 50 HA GLN 50 -9.606 -3.483 -4.524 389 HB2 GLN 50 1HB GLN 50 -7.703 -4.437 -5.883 390 HB3 GLN 50 2HB GLN 50 -9.117 -5.475 -5.794 391 HG2 GLN 50 1HG GLN 50 -8.397 -5.669 -8.020 392 HG3 GLN 50 2HG GLN 50 -9.754 -4.554 -8.100 393 HE21 GLN 50 2HE2 GLN 50 -9.092 -3.641 -10.046 394 HE22 GLN 50 1HE2 GLN 50 -7.678 -2.660 -10.202 395 H VAL 51 H VAL 51 -7.772 -2.057 -4.338 396 HA VAL 51 HA VAL 51 -7.581 0.107 -6.339 397 HB VAL 51 HB VAL 51 -9.200 0.900 -4.671 398 HG11 VAL 51 1HG1 VAL 51 -8.548 -0.467 -2.737 399 HG12 VAL 51 2HG1 VAL 51 -8.625 1.241 -2.300 400 HG13 VAL 51 3HG1 VAL 51 -7.060 0.473 -2.555 401 HG21 VAL 51 3HG2 VAL 51 -7.726 2.592 -5.680 402 HG22 VAL 51 1HG2 VAL 51 -6.542 2.357 -4.389 403 HG23 VAL 51 2HG2 VAL 51 -8.127 3.038 -4.019 404 H LYS 52 H LYS 52 -5.603 1.052 -6.493 405 HA LYS 52 HA LYS 52 -3.496 0.310 -4.597 406 HB2 LYS 52 1HB LYS 52 -1.888 -0.106 -6.472 407 HB3 LYS 52 2HB LYS 52 -3.161 -1.312 -6.341 408 HG2 LYS 52 1HG LYS 52 -4.336 -0.371 -8.246 409 HG3 LYS 52 2HG LYS 52 -3.199 0.978 -8.339 410 HD2 LYS 52 1HD LYS 52 -2.305 -1.912 -8.642 411 HD3 LYS 52 2HD LYS 52 -2.886 -0.967 -10.015 412 HE2 LYS 52 1HE LYS 52 -0.557 -0.133 -8.250 413 HE3 LYS 52 2HE LYS 52 -0.376 -1.022 -9.763 414 HZ1 LYS 52 3HZ LYS 52 -1.598 1.674 -9.474 415 HZ2 LYS 52 1HZ LYS 52 -1.447 0.818 -10.922 416 HZ3 LYS 52 2HZ LYS 52 -0.066 1.343 -10.102 417 H LEU 53 H LEU 53 -2.081 1.793 -4.210 418 HA LEU 53 HA LEU 53 -2.058 4.376 -5.648 419 HG LEU 53 HG LEU 53 -3.805 5.496 -4.019 420 HB2 LEU 53 1HB LEU 53 -1.640 3.836 -2.664 421 HB3 LEU 53 2HB LEU 53 -1.307 5.372 -3.443 422 HD11 LEU 53 1HD1 LEU 53 -5.378 4.189 -2.666 423 HD12 LEU 53 2HD1 LEU 53 -4.042 3.238 -2.010 424 HD13 LEU 53 3HD1 LEU 53 -4.432 3.149 -3.730 425 HD21 LEU 53 3HD2 LEU 53 -2.790 6.821 -2.212 426 HD22 LEU 53 1HD2 LEU 53 -3.076 5.497 -1.077 427 HD23 LEU 53 2HD2 LEU 53 -4.439 6.341 -1.817 428 H THR 54 H THR 54 0.129 5.279 -5.902 429 HA THR 54 HA THR 54 2.302 3.343 -5.282 430 HB THR 54 HB THR 54 2.909 5.073 -7.621 431 HG1 THR 54 HG1 THR 54 0.581 3.477 -7.612 432 HG21 THR 54 3HG2 THR 54 3.596 2.932 -8.612 433 HG22 THR 54 1HG2 THR 54 2.857 2.052 -7.269 434 HG23 THR 54 2HG2 THR 54 4.258 3.089 -6.984 435 H PHE 55 H PHE 55 3.978 4.067 -4.207 436 HA PHE 55 HA PHE 55 4.387 6.959 -3.732 437 HD1 PHE 55 HD2 PHE 55 3.115 8.188 -1.340 438 HD2 PHE 55 HD1 PHE 55 2.120 4.042 -1.695 439 HE1 PHE 55 HE2 PHE 55 0.789 8.690 -0.729 440 HE2 PHE 55 HE1 PHE 55 -0.202 4.555 -1.076 441 HZ PHE 55 HZ PHE 55 -0.873 6.876 -0.592 442 HB2 PHE 55 1HB PHE 55 4.453 4.735 -1.631 443 HB3 PHE 55 2HB PHE 55 4.886 6.417 -1.342 444 H GLU 56 H GLU 56 6.558 7.471 -3.097 445 HA GLU 56 HA GLU 56 8.518 6.124 -4.659 446 HB2 GLU 56 1HB GLU 56 8.914 8.273 -2.543 447 HB3 GLU 56 2HB GLU 56 10.082 7.817 -3.782 448 HG2 GLU 56 1HG GLU 56 7.377 9.126 -4.230 449 HG3 GLU 56 2HG GLU 56 8.956 9.891 -4.403 450 H THR 57 H THR 57 7.612 5.920 -1.291 451 HA THR 57 HA THR 57 9.734 3.936 -0.761 452 HB THR 57 HB THR 57 9.936 4.843 1.593 453 HG1 THR 57 HG1 THR 57 9.056 6.914 2.010 454 HG21 THR 57 3HG2 THR 57 11.642 5.502 -0.079 455 HG22 THR 57 1HG2 THR 57 11.336 6.811 1.071 456 HG23 THR 57 2HG2 THR 57 10.651 6.883 -0.556 457 H GLN 58 H GLN 58 9.255 2.427 0.870 458 HA GLN 58 HA GLN 58 6.759 1.348 1.312 459 HB2 GLN 58 1HB GLN 58 8.829 0.193 1.907 460 HB3 GLN 58 2HB GLN 58 9.206 1.412 3.124 461 HG2 GLN 58 1HG GLN 58 7.191 0.676 4.420 462 HG3 GLN 58 2HG GLN 58 6.937 -0.616 3.241 463 HE21 GLN 58 2HE2 GLN 58 8.517 -2.226 3.082 464 HE22 GLN 58 1HE2 GLN 58 9.551 -2.611 4.405 465 H GLU 59 H GLU 59 8.548 3.590 3.306 466 HA GLU 59 HA GLU 59 7.101 3.971 5.543 467 HB2 GLU 59 1HB GLU 59 8.476 6.174 3.944 468 HB3 GLU 59 2HB GLU 59 8.105 6.240 5.666 469 HG2 GLU 59 1HG GLU 59 9.658 4.419 6.109 470 HG3 GLU 59 2HG GLU 59 9.984 4.239 4.383 471 H GLN 60 H GLN 60 6.474 5.652 2.446 472 HA GLN 60 HA GLN 60 4.396 7.369 3.455 473 HB2 GLN 60 1HB GLN 60 5.133 6.582 0.611 474 HB3 GLN 60 2HB GLN 60 3.953 7.826 1.021 475 HG2 GLN 60 1HG GLN 60 5.680 9.206 2.026 476 HG3 GLN 60 2HG GLN 60 6.884 7.934 1.800 477 HE21 GLN 60 2HE2 GLN 60 7.633 7.485 -0.288 478 HE22 GLN 60 1HE2 GLN 60 7.424 8.598 -1.593 479 H ALA 61 H ALA 61 4.411 4.100 2.028 480 HA ALA 61 HA ALA 61 1.602 4.114 1.334 481 HB1 ALA 61 3HB ALA 61 3.238 2.925 -0.055 482 HB2 ALA 61 1HB ALA 61 2.068 1.792 0.617 483 HB3 ALA 61 2HB ALA 61 3.688 1.899 1.310 484 H GLU 62 H GLU 62 3.701 2.666 3.783 485 HA GLU 62 HA GLU 62 1.649 1.343 5.216 486 HB2 GLU 62 1HB GLU 62 3.286 0.957 6.960 487 HB3 GLU 62 2HB GLU 62 4.040 0.700 5.395 488 HG2 GLU 62 1HG GLU 62 5.165 2.847 5.550 489 HG3 GLU 62 2HG GLU 62 4.344 3.209 7.066 490 H ALA 63 H ALA 63 3.196 4.544 5.617 491 HA ALA 63 HA ALA 63 1.857 5.427 7.889 492 HB1 ALA 63 3HB ALA 63 3.737 6.643 6.859 493 HB2 ALA 63 1HB ALA 63 2.355 7.709 7.128 494 HB3 ALA 63 2HB ALA 63 2.705 7.102 5.505 495 H TYR 64 H TYR 64 0.753 5.306 4.532 496 HA TYR 64 HA TYR 64 -1.611 6.860 4.789 497 HD1 TYR 64 HD2 TYR 64 -2.332 7.916 2.052 498 HD2 TYR 64 HD1 TYR 64 -3.400 3.801 2.554 499 HE1 TYR 64 HE2 TYR 64 -4.484 8.332 0.943 500 HE2 TYR 64 HE1 TYR 64 -5.547 4.219 1.450 501 HH TYR 64 HH TYR 64 -6.206 7.010 -0.314 502 HB2 TYR 64 1HB TYR 64 -0.595 6.210 2.591 503 HB3 TYR 64 2HB TYR 64 -1.050 4.536 2.883 504 H ALA 65 H ALA 65 -1.134 3.330 4.754 505 HA ALA 65 HA ALA 65 -3.645 2.432 5.470 506 HB1 ALA 65 3HB ALA 65 -1.844 0.964 4.668 507 HB2 ALA 65 1HB ALA 65 -2.523 0.351 6.180 508 HB3 ALA 65 2HB ALA 65 -0.965 1.189 6.184 509 H GLN 66 H GLN 66 -0.958 3.287 7.667 510 HA GLN 66 HA GLN 66 -2.105 2.639 10.139 511 HB2 GLN 66 1HB GLN 66 0.046 4.676 9.422 512 HB3 GLN 66 2HB GLN 66 -0.406 4.314 11.086 513 HG2 GLN 66 1HG GLN 66 0.289 1.985 10.792 514 HG3 GLN 66 2HG GLN 66 0.697 2.301 9.110 515 HE21 GLN 66 2HE2 GLN 66 2.596 3.491 8.641 516 HE22 GLN 66 1HE2 GLN 66 3.822 3.753 9.829 517 H ARG 67 H ARG 67 -1.994 5.742 8.387 518 HA ARG 67 HA ARG 67 -3.392 7.399 10.150 519 HE ARG 67 HE ARG 67 -5.036 11.544 7.320 520 HB2 ARG 67 1HB ARG 67 -2.112 8.258 8.256 521 HB3 ARG 67 2HB ARG 67 -3.153 7.418 7.113 522 HG2 ARG 67 1HG ARG 67 -5.048 8.893 7.804 523 HG3 ARG 67 2HG ARG 67 -3.944 9.773 8.864 524 HD2 ARG 67 1HD ARG 67 -2.614 10.490 6.952 525 HD3 ARG 67 2HD ARG 67 -3.573 9.484 5.862 526 HH11 ARG 67 1HH1 ARG 67 -3.420 10.700 4.300 527 HH12 ARG 67 2HH1 ARG 67 -4.243 11.923 3.387 528 HH21 ARG 67 1HH2 ARG 67 -6.098 13.134 6.088 529 HH22 ARG 67 2HH2 ARG 67 -5.764 13.287 4.395 530 H LYS 68 H LYS 68 -4.562 5.093 7.727 531 HA LYS 68 HA LYS 68 -7.353 5.883 7.908 532 HB2 LYS 68 1HB LYS 68 -5.950 3.558 6.528 533 HB3 LYS 68 2HB LYS 68 -7.677 3.876 6.415 534 HG2 LYS 68 1HG LYS 68 -5.529 5.808 5.470 535 HG3 LYS 68 2HG LYS 68 -6.341 4.629 4.435 536 HD2 LYS 68 1HD LYS 68 -8.536 5.717 5.002 537 HD3 LYS 68 2HD LYS 68 -7.655 6.957 5.902 538 HE2 LYS 68 1HE LYS 68 -6.532 7.685 3.849 539 HE3 LYS 68 2HE LYS 68 -7.280 6.370 2.940 540 HZ1 LYS 68 3HZ LYS 68 -9.440 7.359 3.457 541 HZ2 LYS 68 1HZ LYS 68 -8.448 8.380 2.549 542 HZ3 LYS 68 2HZ LYS 68 -8.660 8.664 4.199 543 H GLY 69 H GLY 69 -5.178 3.677 9.536 544 HA2 GLY 69 1HA GLY 69 -5.645 2.390 11.432 545 HA3 GLY 69 2HA GLY 69 -7.355 2.368 11.025 546 H ILE 70 H ILE 70 -5.920 1.813 8.220 547 HA ILE 70 HA ILE 70 -6.705 -0.893 7.987 548 HB ILE 70 HB ILE 70 -4.854 0.691 6.144 549 HG12 ILE 70 1HG1 ILE 70 -7.851 0.112 5.922 550 HG13 ILE 70 2HG1 ILE 70 -7.160 1.657 6.410 551 HG21 ILE 70 1HG2 ILE 70 -5.403 -0.982 4.398 552 HG22 ILE 70 2HG2 ILE 70 -6.287 -1.935 5.589 553 HG23 ILE 70 3HG2 ILE 70 -4.544 -1.720 5.753 554 HD11 ILE 70 3HD1 ILE 70 -6.873 0.351 3.695 555 HD12 ILE 70 1HD1 ILE 70 -6.147 1.887 4.171 556 HD13 ILE 70 2HD1 ILE 70 -7.899 1.725 4.098 557 H GLU 71 H GLU 71 -5.848 -2.482 9.087 558 HA GLU 71 HA GLU 71 -3.180 -2.876 9.942 559 HB2 GLU 71 1HB GLU 71 -3.719 -5.375 9.844 560 HB3 GLU 71 2HB GLU 71 -4.740 -4.395 10.884 561 HG2 GLU 71 1HG GLU 71 -5.733 -4.892 8.093 562 HG3 GLU 71 2HG GLU 71 -5.694 -6.277 9.181 563 H TYR 72 H TYR 72 -1.301 -3.840 8.872 564 HA TYR 72 HA TYR 72 -1.552 -4.428 6.008 565 HD1 TYR 72 HD1 TYR 72 -0.977 -1.022 8.538 566 HD2 TYR 72 HD2 TYR 72 2.277 -2.551 6.237 567 HE1 TYR 72 HE1 TYR 72 0.621 0.066 10.051 568 HE2 TYR 72 HE2 TYR 72 3.867 -1.456 7.744 569 HH TYR 72 HH TYR 72 3.865 0.527 9.294 570 HB2 TYR 72 1HB TYR 72 -0.019 -2.657 5.345 571 HB3 TYR 72 2HB TYR 72 -1.353 -1.935 6.229 572 H ARG 73 H ARG 73 0.201 -5.504 5.110 573 HA ARG 73 HA ARG 73 2.489 -6.196 6.869 574 HE ARG 73 HE ARG 73 5.137 -9.719 6.836 575 HB2 ARG 73 1HB ARG 73 0.767 -8.075 6.233 576 HB3 ARG 73 2HB ARG 73 1.498 -8.015 4.636 577 HG2 ARG 73 1HG ARG 73 3.123 -8.502 7.154 578 HG3 ARG 73 2HG ARG 73 2.332 -9.809 6.281 579 HD2 ARG 73 1HD ARG 73 3.685 -9.401 4.318 580 HD3 ARG 73 2HD ARG 73 4.371 -7.942 5.033 581 HH11 ARG 73 1HH1 ARG 73 5.228 -10.107 3.343 582 HH12 ARG 73 2HH1 ARG 73 6.674 -11.064 3.371 583 HH21 ARG 73 1HH2 ARG 73 7.027 -10.958 6.859 584 HH22 ARG 73 2HH2 ARG 73 7.696 -11.547 5.372 585 H VAL 74 H VAL 74 4.383 -5.478 6.114 586 HA VAL 74 HA VAL 74 4.656 -4.440 3.366 587 HB VAL 74 HB VAL 74 6.761 -3.379 4.119 588 HG11 VAL 74 1HG1 VAL 74 4.456 -2.825 6.033 589 HG12 VAL 74 2HG1 VAL 74 4.658 -2.128 4.423 590 HG13 VAL 74 3HG1 VAL 74 5.808 -1.736 5.702 591 HG21 VAL 74 3HG2 VAL 74 7.517 -5.065 5.766 592 HG22 VAL 74 1HG2 VAL 74 6.209 -4.597 6.860 593 HG23 VAL 74 2HG2 VAL 74 7.499 -3.450 6.477 594 H ILE 75 H ILE 75 6.056 -5.296 1.878 595 HA ILE 75 HA ILE 75 7.522 -7.774 2.506 596 HB ILE 75 HB ILE 75 6.113 -7.140 -0.147 597 HG12 ILE 75 1HG1 ILE 75 4.736 -9.300 0.514 598 HG13 ILE 75 2HG1 ILE 75 5.242 -8.928 2.153 599 HG21 ILE 75 1HG2 ILE 75 6.718 -9.461 -0.812 600 HG22 ILE 75 2HG2 ILE 75 7.618 -9.649 0.695 601 HG23 ILE 75 3HG2 ILE 75 8.143 -8.463 -0.501 602 HD11 ILE 75 3HD1 ILE 75 3.016 -8.107 1.709 603 HD12 ILE 75 1HD1 ILE 75 3.601 -7.155 0.345 604 HD13 ILE 75 2HD1 ILE 75 4.111 -6.753 1.987 605 H LEU 76 H LEU 76 9.592 -7.875 1.735 606 HA LEU 76 HA LEU 76 10.912 -5.450 0.993 607 HG LEU 76 HG LEU 76 11.286 -7.270 3.513 608 HB2 LEU 76 1HB LEU 76 11.919 -8.297 1.344 609 HB3 LEU 76 2HB LEU 76 12.968 -6.931 0.988 610 HD11 LEU 76 1HD1 LEU 76 13.430 -7.485 4.676 611 HD12 LEU 76 2HD1 LEU 76 14.290 -7.383 3.140 612 HD13 LEU 76 3HD1 LEU 76 13.228 -8.753 3.469 613 HD21 LEU 76 3HD2 LEU 76 12.387 -5.221 4.322 614 HD22 LEU 76 1HD2 LEU 76 11.425 -4.904 2.883 615 HD23 LEU 76 2HD2 LEU 76 13.182 -5.016 2.759 616 HA PRO 77 HA PRO 77 10.791 -6.013 -3.451 617 HB2 PRO 77 1HB PRO 77 12.563 -4.131 -4.224 618 HB3 PRO 77 2HB PRO 77 11.052 -3.695 -3.423 619 HG2 PRO 77 1HG PRO 77 13.811 -3.904 -2.246 620 HG3 PRO 77 2HG PRO 77 12.593 -2.631 -2.014 621 HD2 PRO 77 1HD PRO 77 12.997 -4.711 -0.232 622 HD3 PRO 77 2HD PRO 77 11.457 -3.856 -0.401 623 H LYS 78 H LYS 78 12.730 -5.791 -5.280 624 HA LYS 78 HA LYS 78 14.253 -8.221 -5.063 625 HB2 LYS 78 1HB LYS 78 15.057 -7.443 -7.434 626 HB3 LYS 78 2HB LYS 78 13.390 -7.930 -7.210 627 HG2 LYS 78 1HG LYS 78 13.402 -6.007 -8.633 628 HG3 LYS 78 2HG LYS 78 12.748 -5.511 -7.075 629 HD2 LYS 78 1HD LYS 78 14.237 -3.785 -7.946 630 HD3 LYS 78 2HD LYS 78 14.931 -4.494 -6.489 631 HE2 LYS 78 1HE LYS 78 16.473 -5.837 -7.863 632 HE3 LYS 78 2HE LYS 78 15.740 -5.195 -9.332 633 HZ1 LYS 78 3HZ LYS 78 17.156 -3.576 -7.293 634 HZ2 LYS 78 1HZ LYS 78 16.509 -3.022 -8.751 635 HZ3 LYS 78 2HZ LYS 78 17.810 -4.097 -8.763 636 H GLU 79 H GLU 79 15.036 -5.741 -3.372 637 HA GLU 79 HA GLU 79 17.909 -5.974 -3.701 638 HB2 GLU 79 1HB GLU 79 18.112 -3.391 -3.555 639 HB3 GLU 79 2HB GLU 79 17.688 -4.109 -5.107 640 HG2 GLU 79 1HG GLU 79 15.276 -3.584 -4.644 641 HG3 GLU 79 2HG GLU 79 15.781 -2.731 -3.182 642 H ALA 80 H ALA 80 15.550 -3.910 -1.902 643 HA ALA 80 HA ALA 80 15.177 -3.508 0.284 644 HB1 ALA 80 3HB ALA 80 16.034 -6.402 0.637 645 HB2 ALA 80 1HB ALA 80 14.414 -5.852 0.187 646 HB3 ALA 80 2HB ALA 80 15.075 -5.449 1.772 Start of MODEL 7 1 H MET 1 H MET 1 -9.369 -5.418 7.650 2 HA MET 1 HA MET 1 -8.987 -5.699 4.730 3 HB2 MET 1 1HB MET 1 -9.165 -3.183 6.452 4 HB3 MET 1 2HB MET 1 -8.846 -3.215 4.722 5 HG2 MET 1 1HG MET 1 -11.081 -4.075 4.295 6 HG3 MET 1 2HG MET 1 -11.399 -4.182 6.018 7 HE1 MET 1 3HE MET 1 -9.505 -1.244 4.108 8 HE2 MET 1 1HE MET 1 -10.862 -0.172 3.756 9 HE3 MET 1 2HE MET 1 -10.759 -1.750 2.975 10 H SER 2 H SER 2 -6.945 -6.357 4.443 11 HA SER 2 HA SER 2 -4.767 -5.402 6.217 12 HG SER 2 HG SER 2 -4.907 -7.766 7.399 13 HB2 SER 2 1HB SER 2 -4.890 -7.974 4.570 14 HB3 SER 2 2HB SER 2 -3.567 -7.492 5.636 15 H ALA 3 H ALA 3 -3.226 -4.181 5.251 16 HA ALA 3 HA ALA 3 -3.376 -3.700 2.334 17 HB1 ALA 3 3HB ALA 3 -2.181 -2.001 4.556 18 HB2 ALA 3 1HB ALA 3 -3.731 -1.729 3.760 19 HB3 ALA 3 2HB ALA 3 -2.236 -1.577 2.846 20 H LYS 4 H LYS 4 -1.646 -4.298 1.094 21 HA LYS 4 HA LYS 4 0.852 -5.154 2.364 22 HB2 LYS 4 1HB LYS 4 1.091 -6.753 0.386 23 HB3 LYS 4 2HB LYS 4 -0.116 -7.163 1.587 24 HG2 LYS 4 1HG LYS 4 -1.514 -7.504 -0.149 25 HG3 LYS 4 2HG LYS 4 -1.637 -5.752 -0.229 26 HD2 LYS 4 1HD LYS 4 -1.228 -6.555 -2.441 27 HD3 LYS 4 2HD LYS 4 0.248 -5.759 -1.899 28 HE2 LYS 4 1HE LYS 4 1.313 -7.910 -1.499 29 HE3 LYS 4 2HE LYS 4 -0.193 -8.767 -1.841 30 HZ1 LYS 4 3HZ LYS 4 1.218 -8.855 -3.750 31 HZ2 LYS 4 1HZ LYS 4 1.411 -7.177 -3.766 32 HZ3 LYS 4 2HZ LYS 4 -0.099 -7.850 -4.114 33 H ILE 5 H ILE 5 2.539 -4.010 1.832 34 HA ILE 5 HA ILE 5 2.398 -2.048 -0.396 35 HB ILE 5 HB ILE 5 4.221 -1.836 2.059 36 HG12 ILE 5 1HG1 ILE 5 2.656 0.208 2.626 37 HG13 ILE 5 2HG1 ILE 5 1.475 -0.618 1.625 38 HG21 ILE 5 1HG2 ILE 5 3.590 0.185 -0.130 39 HG22 ILE 5 2HG2 ILE 5 5.089 -0.728 0.050 40 HG23 ILE 5 3HG2 ILE 5 4.639 0.468 1.265 41 HD11 ILE 5 3HD1 ILE 5 1.116 -1.037 3.966 42 HD12 ILE 5 1HD1 ILE 5 2.741 -1.703 4.123 43 HD13 ILE 5 2HD1 ILE 5 1.537 -2.535 3.133 44 H TYR 6 H TYR 6 3.833 -2.456 -2.030 45 HA TYR 6 HA TYR 6 6.261 -4.006 -1.531 46 HD1 TYR 6 HD1 TYR 6 2.229 -4.454 -2.338 47 HD2 TYR 6 HD2 TYR 6 4.925 -5.907 -5.326 48 HE1 TYR 6 HE1 TYR 6 0.430 -4.390 -4.007 49 HE2 TYR 6 HE2 TYR 6 3.122 -5.837 -6.984 50 HH TYR 6 HH TYR 6 0.604 -5.943 -6.965 51 HB2 TYR 6 1HB TYR 6 5.680 -5.814 -3.089 52 HB3 TYR 6 2HB TYR 6 4.505 -5.747 -1.787 53 H ARG 7 H ARG 7 7.660 -4.151 -3.334 54 HA ARG 7 HA ARG 7 7.053 -2.391 -5.637 55 HE ARG 7 HE ARG 7 10.551 -0.851 -6.908 56 HB2 ARG 7 1HB ARG 7 9.567 -2.679 -4.041 57 HB3 ARG 7 2HB ARG 7 9.775 -2.581 -5.787 58 HG2 ARG 7 1HG ARG 7 8.389 -0.459 -5.736 59 HG3 ARG 7 2HG ARG 7 8.489 -0.528 -3.973 60 HD2 ARG 7 1HD ARG 7 10.212 0.954 -4.946 61 HD3 ARG 7 2HD ARG 7 10.924 -0.411 -4.081 62 HH11 ARG 7 1HH1 ARG 7 12.799 0.377 -4.522 63 HH12 ARG 7 2HH1 ARG 7 14.181 0.134 -5.538 64 HH21 ARG 7 1HH2 ARG 7 12.336 -1.130 -8.232 65 HH22 ARG 7 2HH2 ARG 7 13.919 -0.731 -7.647 66 HA PRO 8 HA PRO 8 7.270 -6.550 -7.434 67 HB2 PRO 8 1HB PRO 8 5.788 -6.010 -9.667 68 HB3 PRO 8 2HB PRO 8 5.060 -6.299 -8.084 69 HG2 PRO 8 1HG PRO 8 5.539 -3.704 -9.513 70 HG3 PRO 8 2HG PRO 8 4.159 -4.195 -8.516 71 HD2 PRO 8 1HD PRO 8 6.244 -2.582 -7.638 72 HD3 PRO 8 2HD PRO 8 5.195 -3.534 -6.565 73 H ALA 9 H ALA 9 8.798 -7.373 -8.749 74 HA ALA 9 HA ALA 9 10.665 -5.796 -10.234 75 HB1 ALA 9 3HB ALA 9 10.231 -8.807 -10.229 76 HB2 ALA 9 1HB ALA 9 11.335 -7.908 -9.181 77 HB3 ALA 9 2HB ALA 9 11.629 -7.975 -10.919 78 H LYS 10 H LYS 10 7.587 -7.056 -11.001 79 HA LYS 10 HA LYS 10 7.820 -5.843 -13.689 80 HB2 LYS 10 1HB LYS 10 5.871 -7.369 -14.348 81 HB3 LYS 10 2HB LYS 10 7.434 -8.148 -14.181 82 HG2 LYS 10 1HG LYS 10 6.826 -9.262 -12.190 83 HG3 LYS 10 2HG LYS 10 5.467 -8.180 -11.880 84 HD2 LYS 10 1HD LYS 10 5.607 -10.191 -14.163 85 HD3 LYS 10 2HD LYS 10 4.757 -10.453 -12.636 86 HE2 LYS 10 1HE LYS 10 3.296 -8.508 -13.132 87 HE3 LYS 10 2HE LYS 10 4.134 -8.275 -14.670 88 HZ1 LYS 10 3HZ LYS 10 3.392 -10.501 -15.319 89 HZ2 LYS 10 1HZ LYS 10 2.095 -9.470 -14.998 90 HZ3 LYS 10 2HZ LYS 10 2.535 -10.648 -13.869 91 H THR 11 H THR 11 7.163 -3.852 -13.022 92 HA THR 11 HA THR 11 4.919 -3.455 -11.212 93 HB THR 11 HB THR 11 6.663 -1.403 -12.658 94 HG1 THR 11 HG1 THR 11 7.343 -3.021 -10.757 95 HG21 THR 11 3HG2 THR 11 4.769 -1.016 -10.309 96 HG22 THR 11 1HG2 THR 11 4.515 -0.402 -11.941 97 HG23 THR 11 2HG2 THR 11 5.852 0.213 -10.965 98 H ALA 12 H ALA 12 2.894 -2.838 -11.767 99 HA ALA 12 HA ALA 12 1.839 -2.939 -14.366 100 HB1 ALA 12 3HB ALA 12 0.435 -3.166 -12.357 101 HB2 ALA 12 1HB ALA 12 -0.172 -1.868 -13.391 102 HB3 ALA 12 2HB ALA 12 0.742 -1.483 -11.931 103 H MET 13 H MET 13 2.016 -1.543 -15.991 104 HA MET 13 HA MET 13 3.758 0.717 -15.775 105 HB2 MET 13 1HB MET 13 2.161 -0.315 -18.158 106 HB3 MET 13 2HB MET 13 3.456 0.874 -18.240 107 HG2 MET 13 1HG MET 13 5.067 -0.808 -17.466 108 HG3 MET 13 2HG MET 13 3.768 -1.997 -17.325 109 HE1 MET 13 3HE MET 13 6.367 -2.707 -18.932 110 HE2 MET 13 1HE MET 13 5.696 -3.399 -20.410 111 HE3 MET 13 2HE MET 13 4.968 -3.780 -18.850 112 H GLN 14 H GLN 14 2.672 2.128 -14.410 113 HA GLN 14 HA GLN 14 0.280 3.544 -15.131 114 HB2 GLN 14 1HB GLN 14 1.126 3.404 -12.788 115 HB3 GLN 14 2HB GLN 14 2.565 4.309 -13.250 116 HG2 GLN 14 1HG GLN 14 1.197 6.288 -13.724 117 HG3 GLN 14 2HG GLN 14 -0.272 5.378 -13.359 118 HE21 GLN 14 2HE2 GLN 14 2.627 6.812 -11.993 119 HE22 GLN 14 1HE2 GLN 14 2.067 6.846 -10.362 120 H SER 15 H SER 15 3.745 3.982 -15.561 121 HA SER 15 HA SER 15 3.357 5.296 -18.095 122 HG SER 15 HG SER 15 4.473 6.204 -14.899 123 HB2 SER 15 1HB SER 15 4.952 7.201 -17.506 124 HB3 SER 15 2HB SER 15 3.381 7.308 -16.711 125 H GLY 16 H GLY 16 5.292 5.157 -19.390 126 HA2 GLY 16 1HA GLY 16 6.887 2.812 -18.846 127 HA3 GLY 16 2HA GLY 16 6.949 3.821 -20.283 128 H THR 17 H THR 17 7.840 3.832 -16.847 129 HA THR 17 HA THR 17 10.494 4.889 -17.365 130 HB THR 17 HB THR 17 9.039 6.944 -17.267 131 HG1 THR 17 HG1 THR 17 10.885 6.622 -15.105 132 HG21 THR 17 3HG2 THR 17 7.317 6.151 -15.667 133 HG22 THR 17 1HG2 THR 17 8.053 7.654 -15.114 134 HG23 THR 17 2HG2 THR 17 8.521 6.124 -14.374 135 H ALA 18 H ALA 18 9.050 2.493 -16.138 136 HA ALA 18 HA ALA 18 9.510 2.690 -13.272 137 HB1 ALA 18 3HB ALA 18 7.510 1.517 -14.115 138 HB2 ALA 18 1HB ALA 18 8.523 0.442 -13.151 139 HB3 ALA 18 2HB ALA 18 8.532 0.320 -14.912 140 H LYS 19 H LYS 19 11.886 3.144 -13.817 141 HA LYS 19 HA LYS 19 13.534 0.713 -13.847 142 HB2 LYS 19 1HB LYS 19 14.299 3.666 -13.591 143 HB3 LYS 19 2HB LYS 19 15.455 2.347 -13.497 144 HG2 LYS 19 1HG LYS 19 15.690 3.171 -15.676 145 HG3 LYS 19 2HG LYS 19 14.707 1.722 -15.878 146 HD2 LYS 19 1HD LYS 19 12.686 3.082 -16.123 147 HD3 LYS 19 2HD LYS 19 13.592 4.555 -15.759 148 HE2 LYS 19 1HE LYS 19 14.958 4.175 -17.819 149 HE3 LYS 19 2HE LYS 19 13.958 2.770 -18.194 150 HZ1 LYS 19 3HZ LYS 19 13.253 4.718 -19.407 151 HZ2 LYS 19 1HZ LYS 19 13.003 5.572 -17.970 152 HZ3 LYS 19 2HZ LYS 19 12.041 4.228 -18.340 153 H THR 20 H THR 20 13.457 3.617 -11.750 154 HA THR 20 HA THR 20 13.543 2.105 -9.284 155 HB THR 20 HB THR 20 13.035 4.442 -8.279 156 HG1 THR 20 HG1 THR 20 12.600 6.010 -9.623 157 HG21 THR 20 3HG2 THR 20 15.314 5.306 -8.663 158 HG22 THR 20 1HG2 THR 20 15.521 4.193 -10.019 159 HG23 THR 20 2HG2 THR 20 15.347 3.565 -8.379 160 H ASN 21 H ASN 21 11.777 0.796 -9.166 161 HA ASN 21 HA ASN 21 9.251 1.374 -10.338 162 HB2 ASN 21 1HB ASN 21 9.857 -0.784 -8.265 163 HB3 ASN 21 2HB ASN 21 8.515 -0.763 -9.408 164 HD21 ASN 21 2HD2 ASN 21 8.980 -1.115 -11.644 165 HD22 ASN 21 1HD2 ASN 21 10.438 -1.889 -12.142 166 H VAL 22 H VAL 22 7.326 1.994 -9.453 167 HA VAL 22 HA VAL 22 7.325 3.511 -7.012 168 HB VAL 22 HB VAL 22 6.007 4.152 -9.036 169 HG11 VAL 22 1HG1 VAL 22 3.871 3.024 -9.595 170 HG12 VAL 22 2HG1 VAL 22 4.217 1.781 -8.390 171 HG13 VAL 22 3HG1 VAL 22 5.256 1.947 -9.806 172 HG21 VAL 22 3HG2 VAL 22 5.374 5.095 -6.858 173 HG22 VAL 22 1HG2 VAL 22 4.271 3.745 -6.570 174 HG23 VAL 22 2HG2 VAL 22 3.954 4.885 -7.883 175 H TRP 23 H TRP 23 5.941 3.050 -5.119 176 HA TRP 23 HA TRP 23 5.851 0.192 -4.456 177 HD1 TRP 23 HD1 TRP 23 8.055 3.311 -3.436 178 HE1 TRP 23 HE1 TRP 23 10.258 2.486 -2.424 179 HE3 TRP 23 HE3 TRP 23 6.376 -0.951 -1.154 180 HZ2 TRP 23 HZ2 TRP 23 11.187 0.325 -0.877 181 HZ3 TRP 23 HZ3 TRP 23 7.991 -2.353 0.067 182 HH2 TRP 23 HH2 TRP 23 10.357 -1.727 0.199 183 HB2 TRP 23 1HB TRP 23 5.465 2.672 -2.713 184 HB3 TRP 23 2HB TRP 23 5.219 1.027 -2.135 185 H VAL 24 H VAL 24 3.961 -0.873 -4.517 186 HA VAL 24 HA VAL 24 1.477 0.609 -5.096 187 HB VAL 24 HB VAL 24 2.022 -2.380 -5.442 188 HG11 VAL 24 1HG1 VAL 24 0.010 -2.358 -6.902 189 HG12 VAL 24 2HG1 VAL 24 -0.234 -0.651 -6.529 190 HG13 VAL 24 3HG1 VAL 24 -0.368 -1.859 -5.250 191 HG21 VAL 24 3HG2 VAL 24 3.557 -1.129 -6.913 192 HG22 VAL 24 1HG2 VAL 24 2.197 -0.226 -7.591 193 HG23 VAL 24 2HG2 VAL 24 2.330 -1.967 -7.864 194 H LEU 25 H LEU 25 -0.217 0.456 -3.696 195 HA LEU 25 HA LEU 25 0.018 -1.083 -1.193 196 HG LEU 25 HG LEU 25 -2.582 0.462 -0.037 197 HB2 LEU 25 1HB LEU 25 0.228 1.341 -0.820 198 HB3 LEU 25 2HB LEU 25 -1.207 1.654 -1.782 199 HD11 LEU 25 1HD1 LEU 25 -0.031 0.467 1.580 200 HD12 LEU 25 2HD1 LEU 25 -0.871 -0.952 0.944 201 HD13 LEU 25 3HD1 LEU 25 -1.640 0.050 2.170 202 HD21 LEU 25 3HD2 LEU 25 -2.420 2.919 -0.042 203 HD22 LEU 25 1HD2 LEU 25 -1.020 2.832 1.029 204 HD23 LEU 25 2HD2 LEU 25 -2.600 2.274 1.587 205 H GLU 26 H GLU 26 -1.228 -2.782 -1.553 206 HA GLU 26 HA GLU 26 -3.957 -2.467 -2.707 207 HB2 GLU 26 1HB GLU 26 -2.301 -4.988 -2.311 208 HB3 GLU 26 2HB GLU 26 -3.941 -4.964 -2.920 209 HG2 GLU 26 1HG GLU 26 -3.092 -3.593 -4.849 210 HG3 GLU 26 2HG GLU 26 -1.455 -3.885 -4.261 211 H PHE 27 H PHE 27 -5.679 -2.736 -1.300 212 HA PHE 27 HA PHE 27 -5.294 -4.334 1.146 213 HD1 PHE 27 HD1 PHE 27 -4.813 -0.313 0.116 214 HD2 PHE 27 HD2 PHE 27 -8.556 -1.479 1.844 215 HE1 PHE 27 HE1 PHE 27 -5.848 1.752 -0.715 216 HE2 PHE 27 HE2 PHE 27 -9.581 0.590 1.001 217 HZ PHE 27 HZ PHE 27 -8.229 2.209 -0.275 218 HB2 PHE 27 1HB PHE 27 -6.510 -2.610 2.507 219 HB3 PHE 27 2HB PHE 27 -4.946 -2.062 1.931 220 H ASP 28 H ASP 28 -7.182 -5.358 1.922 221 HA ASP 28 HA ASP 28 -9.146 -6.090 0.082 222 HB2 ASP 28 1HB ASP 28 -9.308 -6.218 3.128 223 HB3 ASP 28 2HB ASP 28 -10.310 -7.136 2.011 224 H ALA 29 H ALA 29 -10.194 -4.375 -0.840 225 HA ALA 29 HA ALA 29 -11.573 -2.380 0.796 226 HB1 ALA 29 3HB ALA 29 -12.113 -1.318 -1.356 227 HB2 ALA 29 1HB ALA 29 -11.414 -2.690 -2.225 228 HB3 ALA 29 2HB ALA 29 -10.385 -1.653 -1.237 229 H GLU 30 H GLU 30 -13.779 -2.307 1.032 230 HA GLU 30 HA GLU 30 -15.243 -4.788 0.614 231 HB2 GLU 30 1HB GLU 30 -16.941 -3.791 2.094 232 HB3 GLU 30 2HB GLU 30 -15.335 -3.658 2.811 233 HG2 GLU 30 1HG GLU 30 -15.218 -1.298 2.185 234 HG3 GLU 30 2HG GLU 30 -16.782 -1.406 1.379 235 H VAL 31 H VAL 31 -14.627 -2.489 -1.489 236 HA VAL 31 HA VAL 31 -17.292 -1.936 -2.507 237 HB VAL 31 HB VAL 31 -15.704 -0.088 -2.536 238 HG11 VAL 31 1HG1 VAL 31 -13.936 -1.753 -4.356 239 HG12 VAL 31 2HG1 VAL 31 -13.582 -1.309 -2.688 240 HG13 VAL 31 3HG1 VAL 31 -13.663 -0.060 -3.932 241 HG21 VAL 31 3HG2 VAL 31 -17.389 -0.150 -4.319 242 HG22 VAL 31 1HG2 VAL 31 -16.282 -1.047 -5.357 243 HG23 VAL 31 2HG2 VAL 31 -15.908 0.614 -4.896 244 HA PRO 32 HA PRO 32 -16.844 -5.542 -5.330 245 HB2 PRO 32 1HB PRO 32 -19.441 -5.927 -5.838 246 HB3 PRO 32 2HB PRO 32 -18.798 -6.241 -4.219 247 HG2 PRO 32 1HG PRO 32 -20.319 -3.835 -5.217 248 HG3 PRO 32 2HG PRO 32 -20.532 -4.743 -3.705 249 HD2 PRO 32 1HD PRO 32 -19.057 -2.380 -3.926 250 HD3 PRO 32 2HD PRO 32 -18.847 -3.581 -2.635 251 H ARG 33 H ARG 33 -18.670 -5.737 -7.507 252 HA ARG 33 HA ARG 33 -17.753 -4.109 -9.547 253 HE ARG 33 HE ARG 33 -23.353 -5.950 -8.531 254 HB2 ARG 33 1HB ARG 33 -19.533 -4.921 -10.924 255 HB3 ARG 33 2HB ARG 33 -19.100 -6.226 -9.835 256 HG2 ARG 33 1HG ARG 33 -21.533 -4.425 -9.537 257 HG3 ARG 33 2HG ARG 33 -21.538 -6.045 -10.230 258 HD2 ARG 33 1HD ARG 33 -20.784 -6.944 -8.030 259 HD3 ARG 33 2HD ARG 33 -20.889 -5.310 -7.358 260 HH11 ARG 33 1HH1 ARG 33 -21.469 -6.909 -5.718 261 HH12 ARG 33 2HH1 ARG 33 -22.855 -7.435 -4.825 262 HH21 ARG 33 1HH2 ARG 33 -25.140 -6.633 -7.353 263 HH22 ARG 33 2HH2 ARG 33 -24.941 -7.276 -5.758 264 H LYS 34 H LYS 34 -19.948 -3.216 -7.056 265 HA LYS 34 HA LYS 34 -20.994 -0.822 -8.290 266 HB2 LYS 34 1HB LYS 34 -22.136 -2.116 -6.410 267 HB3 LYS 34 2HB LYS 34 -20.857 -1.585 -5.326 268 HG2 LYS 34 1HG LYS 34 -22.870 -0.227 -5.033 269 HG3 LYS 34 2HG LYS 34 -21.535 0.761 -5.642 270 HD2 LYS 34 1HD LYS 34 -22.475 0.614 -7.932 271 HD3 LYS 34 2HD LYS 34 -23.799 -0.390 -7.332 272 HE2 LYS 34 1HE LYS 34 -24.623 1.474 -5.966 273 HE3 LYS 34 2HE LYS 34 -23.257 2.477 -6.465 274 HZ1 LYS 34 3HZ LYS 34 -25.435 1.439 -8.189 275 HZ2 LYS 34 1HZ LYS 34 -24.064 2.247 -8.772 276 HZ3 LYS 34 2HZ LYS 34 -25.152 3.046 -7.756 277 H ILE 35 H ILE 35 -18.588 -0.511 -8.985 278 HA ILE 35 HA ILE 35 -16.851 0.815 -7.044 279 HB ILE 35 HB ILE 35 -15.329 1.026 -9.230 280 HG12 ILE 35 1HG1 ILE 35 -15.631 -0.873 -10.836 281 HG13 ILE 35 2HG1 ILE 35 -17.151 -1.285 -10.061 282 HG21 ILE 35 1HG2 ILE 35 -14.301 -1.154 -8.762 283 HG22 ILE 35 2HG2 ILE 35 -15.724 -1.647 -7.844 284 HG23 ILE 35 3HG2 ILE 35 -14.724 -0.310 -7.272 285 HD11 ILE 35 3HD1 ILE 35 -18.134 0.792 -10.854 286 HD12 ILE 35 1HD1 ILE 35 -17.457 -0.143 -12.184 287 HD13 ILE 35 2HD1 ILE 35 -16.594 1.268 -11.575 288 H ASP 36 H ASP 36 -15.553 2.721 -8.573 289 HA ASP 36 HA ASP 36 -17.124 5.012 -8.551 290 HB2 ASP 36 1HB ASP 36 -14.617 4.422 -10.188 291 HB3 ASP 36 2HB ASP 36 -15.342 6.025 -10.057 292 HA PRO 37 HA PRO 37 -19.588 4.143 -12.322 293 HB2 PRO 37 1HB PRO 37 -21.339 6.212 -12.116 294 HB3 PRO 37 2HB PRO 37 -21.438 4.799 -11.052 295 HG2 PRO 37 1HG PRO 37 -20.160 7.488 -10.500 296 HG3 PRO 37 2HG PRO 37 -21.290 6.562 -9.485 297 HD2 PRO 37 1HD PRO 37 -18.608 6.490 -9.057 298 HD3 PRO 37 2HD PRO 37 -19.636 5.069 -8.771 299 H ILE 38 H ILE 38 -17.479 6.679 -11.632 300 HA ILE 38 HA ILE 38 -17.822 8.570 -13.663 301 HB ILE 38 HB ILE 38 -15.232 7.723 -12.270 302 HG12 ILE 38 1HG1 ILE 38 -16.963 8.353 -10.623 303 HG13 ILE 38 2HG1 ILE 38 -15.690 9.566 -10.657 304 HG21 ILE 38 1HG2 ILE 38 -14.406 10.007 -12.791 305 HG22 ILE 38 2HG2 ILE 38 -15.868 10.314 -13.733 306 HG23 ILE 38 3HG2 ILE 38 -14.730 9.065 -14.248 307 HD11 ILE 38 3HD1 ILE 38 -17.884 10.575 -10.457 308 HD12 ILE 38 1HD1 ILE 38 -18.406 9.812 -11.957 309 HD13 ILE 38 2HD1 ILE 38 -17.133 11.035 -11.983 310 H MET 39 H MET 39 -15.541 5.796 -13.551 311 HA MET 39 HA MET 39 -15.271 5.897 -16.497 312 HB2 MET 39 1HB MET 39 -13.159 4.542 -16.144 313 HB3 MET 39 2HB MET 39 -13.107 6.181 -15.523 314 HG2 MET 39 1HG MET 39 -13.399 5.358 -13.248 315 HG3 MET 39 2HG MET 39 -13.551 3.709 -13.842 316 HE1 MET 39 3HE MET 39 -9.619 6.164 -14.019 317 HE2 MET 39 1HE MET 39 -11.100 6.754 -13.261 318 HE3 MET 39 2HE MET 39 -11.018 6.560 -15.012 319 H GLY 40 H GLY 40 -15.377 3.421 -13.848 320 HA2 GLY 40 1HA GLY 40 -16.440 1.389 -13.714 321 HA3 GLY 40 2HA GLY 40 -17.412 1.850 -15.097 322 H TYR 41 H TYR 41 -15.175 -0.392 -14.028 323 HA TYR 41 HA TYR 41 -14.459 -1.232 -16.770 324 HD1 TYR 41 HD2 TYR 41 -12.627 1.188 -13.805 325 HD2 TYR 41 HD1 TYR 41 -11.653 -2.974 -13.957 326 HE1 TYR 41 HE2 TYR 41 -11.846 1.283 -11.482 327 HE2 TYR 41 HE1 TYR 41 -10.870 -2.870 -11.629 328 HH TYR 41 HH TYR 41 -11.470 -0.193 -9.579 329 HB2 TYR 41 1HB TYR 41 -12.113 -1.705 -16.049 330 HB3 TYR 41 2HB TYR 41 -12.498 0.006 -15.985 331 H THR 42 H THR 42 -16.456 -2.208 -14.876 332 HA THR 42 HA THR 42 -15.629 -4.469 -13.396 333 HB THR 42 HB THR 42 -18.062 -5.078 -13.355 334 HG1 THR 42 HG1 THR 42 -19.475 -4.097 -14.671 335 HG21 THR 42 3HG2 THR 42 -18.879 -3.038 -12.239 336 HG22 THR 42 1HG2 THR 42 -17.554 -2.104 -12.940 337 HG23 THR 42 2HG2 THR 42 -17.213 -3.377 -11.765 338 H SER 43 H SER 43 -15.651 -6.686 -13.844 339 HA SER 43 HA SER 43 -15.366 -7.547 -16.581 340 HG SER 43 HG SER 43 -15.230 -8.580 -13.031 341 HB2 SER 43 1HB SER 43 -15.146 -9.839 -15.548 342 HB3 SER 43 2HB SER 43 -14.043 -8.649 -14.858 343 H SER 44 H SER 44 -17.709 -8.259 -13.977 344 HA SER 44 HA SER 44 -20.012 -7.890 -15.546 345 HG SER 44 HG SER 44 -21.675 -9.504 -15.955 346 HB2 SER 44 1HB SER 44 -19.381 -10.041 -16.624 347 HB3 SER 44 2HB SER 44 -19.355 -10.835 -15.050 348 H SER 45 H SER 45 -19.470 -10.460 -13.118 349 HA SER 45 HA SER 45 -21.240 -9.039 -11.211 350 HG SER 45 HG SER 45 -23.008 -11.979 -10.463 351 HB2 SER 45 1HB SER 45 -22.260 -11.059 -12.318 352 HB3 SER 45 2HB SER 45 -20.954 -12.056 -11.679 353 H ASP 46 H ASP 46 -18.479 -8.610 -11.275 354 HA ASP 46 HA ASP 46 -17.004 -10.338 -9.534 355 HB2 ASP 46 1HB ASP 46 -15.254 -8.489 -9.635 356 HB3 ASP 46 2HB ASP 46 -15.726 -9.181 -11.178 357 H MET 47 H MET 47 -16.216 -9.944 -7.470 358 HA MET 47 HA MET 47 -18.157 -8.555 -5.735 359 HB2 MET 47 1HB MET 47 -16.249 -10.850 -5.125 360 HB3 MET 47 2HB MET 47 -17.355 -10.132 -3.960 361 HG2 MET 47 1HG MET 47 -18.281 -11.476 -6.511 362 HG3 MET 47 2HG MET 47 -18.108 -12.325 -4.983 363 HE1 MET 47 3HE MET 47 -20.497 -10.272 -7.234 364 HE2 MET 47 1HE MET 47 -19.885 -8.895 -6.311 365 HE3 MET 47 2HE MET 47 -21.549 -9.434 -6.096 366 H LYS 48 H LYS 48 -16.889 -8.350 -3.383 367 HA LYS 48 HA LYS 48 -15.678 -5.873 -3.539 368 HB2 LYS 48 1HB LYS 48 -15.249 -5.993 -1.136 369 HB3 LYS 48 2HB LYS 48 -16.856 -6.563 -1.526 370 HG2 LYS 48 1HG LYS 48 -14.522 -8.397 -0.879 371 HG3 LYS 48 2HG LYS 48 -15.678 -7.808 0.317 372 HD2 LYS 48 1HD LYS 48 -17.512 -8.922 -1.008 373 HD3 LYS 48 2HD LYS 48 -16.273 -9.610 -2.066 374 HE2 LYS 48 1HE LYS 48 -16.941 -11.263 -0.406 375 HE3 LYS 48 2HE LYS 48 -15.281 -10.763 -0.076 376 HZ1 LYS 48 3HZ LYS 48 -16.110 -9.300 1.661 377 HZ2 LYS 48 1HZ LYS 48 -16.614 -10.889 1.947 378 HZ3 LYS 48 2HZ LYS 48 -17.703 -9.755 1.326 379 H GLN 49 H GLN 49 -14.001 -5.689 -4.835 380 HA GLN 49 HA GLN 49 -11.707 -7.426 -4.897 381 HB2 GLN 49 1HB GLN 49 -10.853 -5.835 -6.614 382 HB3 GLN 49 2HB GLN 49 -12.508 -6.334 -6.958 383 HG2 GLN 49 1HG GLN 49 -13.370 -4.207 -6.111 384 HG3 GLN 49 2HG GLN 49 -11.746 -3.711 -5.632 385 HE21 GLN 49 2HE2 GLN 49 -11.823 -1.862 -6.918 386 HE22 GLN 49 1HE2 GLN 49 -11.723 -1.923 -8.638 387 H GLN 50 H GLN 50 -9.545 -6.909 -4.271 388 HA GLN 50 HA GLN 50 -9.195 -4.807 -2.287 389 HB2 GLN 50 1HB GLN 50 -7.066 -5.706 -1.814 390 HB3 GLN 50 2HB GLN 50 -8.026 -7.119 -2.186 391 HG2 GLN 50 1HG GLN 50 -5.982 -5.817 -4.010 392 HG3 GLN 50 2HG GLN 50 -5.738 -7.278 -3.062 393 HE21 GLN 50 2HE2 GLN 50 -5.521 -6.826 -5.948 394 HE22 GLN 50 1HE2 GLN 50 -6.587 -7.967 -6.693 395 H VAL 51 H VAL 51 -8.806 -2.674 -2.910 396 HA VAL 51 HA VAL 51 -8.085 -2.143 -5.673 397 HB VAL 51 HB VAL 51 -8.647 0.187 -5.188 398 HG11 VAL 51 1HG1 VAL 51 -10.756 -1.695 -4.057 399 HG12 VAL 51 2HG1 VAL 51 -10.522 -1.289 -5.758 400 HG13 VAL 51 3HG1 VAL 51 -11.051 -0.048 -4.623 401 HG21 VAL 51 3HG2 VAL 51 -7.761 0.418 -2.924 402 HG22 VAL 51 1HG2 VAL 51 -9.014 -0.651 -2.290 403 HG23 VAL 51 2HG2 VAL 51 -9.450 0.927 -2.952 404 H LYS 52 H LYS 52 -6.466 -0.245 -5.985 405 HA LYS 52 HA LYS 52 -4.230 -0.524 -4.127 406 HB2 LYS 52 1HB LYS 52 -2.615 -1.205 -5.780 407 HB3 LYS 52 2HB LYS 52 -3.944 -2.335 -5.750 408 HG2 LYS 52 1HG LYS 52 -3.511 -2.196 -8.006 409 HG3 LYS 52 2HG LYS 52 -4.825 -1.031 -7.832 410 HD2 LYS 52 1HD LYS 52 -3.236 0.827 -7.893 411 HD3 LYS 52 2HD LYS 52 -1.868 -0.290 -7.884 412 HE2 LYS 52 1HE LYS 52 -2.447 -1.101 -10.090 413 HE3 LYS 52 2HE LYS 52 -3.951 -0.176 -10.092 414 HZ1 LYS 52 3HZ LYS 52 -2.667 1.855 -10.062 415 HZ2 LYS 52 1HZ LYS 52 -2.243 0.901 -11.393 416 HZ3 LYS 52 2HZ LYS 52 -1.219 0.980 -10.046 417 H LEU 53 H LEU 53 -2.898 1.079 -3.976 418 HA LEU 53 HA LEU 53 -3.319 3.592 -5.492 419 HG LEU 53 HG LEU 53 -4.693 2.672 -2.546 420 HB2 LEU 53 1HB LEU 53 -2.306 3.322 -2.623 421 HB3 LEU 53 2HB LEU 53 -2.719 4.810 -3.462 422 HD11 LEU 53 1HD1 LEU 53 -3.766 3.905 -0.668 423 HD12 LEU 53 2HD1 LEU 53 -5.450 4.340 -0.914 424 HD13 LEU 53 3HD1 LEU 53 -4.170 5.445 -1.428 425 HD21 LEU 53 3HD2 LEU 53 -5.280 5.355 -3.837 426 HD22 LEU 53 1HD2 LEU 53 -6.471 4.233 -3.171 427 HD23 LEU 53 2HD2 LEU 53 -5.514 3.766 -4.574 428 H THR 54 H THR 54 -1.293 4.757 -5.937 429 HA THR 54 HA THR 54 1.201 3.186 -5.512 430 HB THR 54 HB THR 54 2.051 4.460 -7.593 431 HG1 THR 54 HG1 THR 54 0.631 5.534 -8.814 432 HG21 THR 54 3HG2 THR 54 1.029 2.880 -9.183 433 HG22 THR 54 1HG2 THR 54 -0.221 2.477 -8.003 434 HG23 THR 54 2HG2 THR 54 1.465 2.058 -7.684 435 H PHE 55 H PHE 55 2.841 4.148 -4.511 436 HA PHE 55 HA PHE 55 2.915 7.065 -4.045 437 HD1 PHE 55 HD2 PHE 55 1.705 8.202 -1.486 438 HD2 PHE 55 HD1 PHE 55 1.075 3.993 -1.921 439 HE1 PHE 55 HE2 PHE 55 -0.631 8.464 -0.752 440 HE2 PHE 55 HE1 PHE 55 -1.248 4.274 -1.188 441 HZ PHE 55 HZ PHE 55 -2.107 6.496 -0.602 442 HB2 PHE 55 1HB PHE 55 3.342 4.910 -1.914 443 HB3 PHE 55 2HB PHE 55 3.615 6.630 -1.680 444 H GLU 56 H GLU 56 5.042 7.883 -3.712 445 HA GLU 56 HA GLU 56 6.984 6.629 -5.395 446 HB2 GLU 56 1HB GLU 56 7.298 9.074 -3.600 447 HB3 GLU 56 2HB GLU 56 8.413 8.589 -4.875 448 HG2 GLU 56 1HG GLU 56 5.536 9.502 -5.233 449 HG3 GLU 56 2HG GLU 56 6.985 10.423 -5.625 450 H THR 57 H THR 57 6.454 6.597 -1.954 451 HA THR 57 HA THR 57 8.826 4.878 -1.564 452 HB THR 57 HB THR 57 9.194 5.885 0.699 453 HG1 THR 57 HG1 THR 57 8.150 7.975 1.074 454 HG21 THR 57 3HG2 THR 57 10.568 6.700 -1.195 455 HG22 THR 57 1HG2 THR 57 10.272 7.985 -0.021 456 HG23 THR 57 2HG2 THR 57 9.366 7.947 -1.536 457 H GLN 58 H GLN 58 8.629 3.430 0.286 458 HA GLN 58 HA GLN 58 6.165 2.193 0.738 459 HB2 GLN 58 1HB GLN 58 8.386 1.131 1.185 460 HB3 GLN 58 2HB GLN 58 8.607 2.204 2.563 461 HG2 GLN 58 1HG GLN 58 6.561 1.172 3.613 462 HG3 GLN 58 2HG GLN 58 6.509 0.029 2.273 463 HE21 GLN 58 2HE2 GLN 58 8.242 1.008 5.134 464 HE22 GLN 58 1HE2 GLN 58 9.181 -0.429 5.299 465 H GLU 59 H GLU 59 7.848 4.738 2.479 466 HA GLU 59 HA GLU 59 6.558 4.843 4.905 467 HB2 GLU 59 1HB GLU 59 7.582 7.226 3.301 468 HB3 GLU 59 2HB GLU 59 7.309 7.195 5.043 469 HG2 GLU 59 1HG GLU 59 9.064 5.416 5.219 470 HG3 GLU 59 2HG GLU 59 9.389 5.627 3.497 471 H GLN 60 H GLN 60 5.596 6.400 1.873 472 HA GLN 60 HA GLN 60 3.434 7.940 2.959 473 HB2 GLN 60 1HB GLN 60 4.116 7.179 0.088 474 HB3 GLN 60 2HB GLN 60 2.885 8.356 0.542 475 HG2 GLN 60 1HG GLN 60 4.582 9.819 1.512 476 HG3 GLN 60 2HG GLN 60 5.834 8.620 1.205 477 HE21 GLN 60 2HE2 GLN 60 6.583 8.314 -0.926 478 HE22 GLN 60 1HE2 GLN 60 6.265 9.469 -2.170 479 H ALA 61 H ALA 61 3.678 4.660 1.627 480 HA ALA 61 HA ALA 61 0.833 4.315 1.188 481 HB1 ALA 61 3HB ALA 61 2.474 3.229 -0.280 482 HB2 ALA 61 1HB ALA 61 1.469 2.025 0.532 483 HB3 ALA 61 2HB ALA 61 3.119 2.323 1.089 484 H GLU 62 H GLU 62 3.255 3.299 3.528 485 HA GLU 62 HA GLU 62 1.479 1.689 5.085 486 HB2 GLU 62 1HB GLU 62 3.294 1.453 6.685 487 HB3 GLU 62 2HB GLU 62 3.897 1.241 5.048 488 HG2 GLU 62 1HG GLU 62 4.826 3.506 5.093 489 HG3 GLU 62 2HG GLU 62 4.208 3.745 6.725 490 H ALA 63 H ALA 63 2.734 5.017 5.444 491 HA ALA 63 HA ALA 63 1.464 5.685 7.851 492 HB1 ALA 63 3HB ALA 63 3.241 7.066 6.849 493 HB2 ALA 63 1HB ALA 63 1.807 8.034 7.184 494 HB3 ALA 63 2HB ALA 63 2.163 7.525 5.531 495 H TYR 64 H TYR 64 0.240 5.611 4.527 496 HA TYR 64 HA TYR 64 -2.210 6.976 4.977 497 HD1 TYR 64 HD2 TYR 64 -3.368 8.086 2.749 498 HD2 TYR 64 HD1 TYR 64 -3.841 3.845 2.467 499 HE1 TYR 64 HE2 TYR 64 -5.686 8.390 2.010 500 HE2 TYR 64 HE1 TYR 64 -6.166 4.151 1.748 501 HH TYR 64 HH TYR 64 -7.409 7.126 0.743 502 HB2 TYR 64 1HB TYR 64 -1.352 6.488 2.676 503 HB3 TYR 64 2HB TYR 64 -1.646 4.771 2.933 504 H ALA 65 H ALA 65 -1.416 3.503 4.897 505 HA ALA 65 HA ALA 65 -3.827 2.393 5.714 506 HB1 ALA 65 3HB ALA 65 -1.950 1.080 4.799 507 HB2 ALA 65 1HB ALA 65 -2.502 0.401 6.334 508 HB3 ALA 65 2HB ALA 65 -1.020 1.360 6.272 509 H GLN 66 H GLN 66 -1.133 3.554 7.725 510 HA GLN 66 HA GLN 66 -2.082 2.748 10.257 511 HB2 GLN 66 1HB GLN 66 -0.065 4.869 9.427 512 HB3 GLN 66 2HB GLN 66 -0.416 4.518 11.119 513 HG2 GLN 66 1HG GLN 66 0.350 2.223 10.844 514 HG3 GLN 66 2HG GLN 66 0.614 2.484 9.123 515 HE21 GLN 66 2HE2 GLN 66 2.414 3.697 8.461 516 HE22 GLN 66 1HE2 GLN 66 3.725 4.056 9.521 517 H ARG 67 H ARG 67 -2.341 5.861 8.526 518 HA ARG 67 HA ARG 67 -3.754 7.307 10.506 519 HE ARG 67 HE ARG 67 -5.695 11.575 8.546 520 HB2 ARG 67 1HB ARG 67 -2.577 8.355 8.570 521 HB3 ARG 67 2HB ARG 67 -3.777 7.677 7.475 522 HG2 ARG 67 1HG ARG 67 -5.533 9.053 8.508 523 HG3 ARG 67 2HG ARG 67 -4.373 9.690 9.676 524 HD2 ARG 67 1HD ARG 67 -3.086 10.707 7.797 525 HD3 ARG 67 2HD ARG 67 -4.308 10.110 6.667 526 HH11 ARG 67 1HH1 ARG 67 -3.102 12.314 6.280 527 HH12 ARG 67 2HH1 ARG 67 -3.624 13.946 6.035 528 HH21 ARG 67 1HH2 ARG 67 -6.362 13.712 8.207 529 HH22 ARG 67 2HH2 ARG 67 -5.468 14.742 7.141 530 H LYS 68 H LYS 68 -4.775 4.980 8.088 531 HA LYS 68 HA LYS 68 -7.637 5.482 8.472 532 HB2 LYS 68 1HB LYS 68 -6.066 3.541 6.716 533 HB3 LYS 68 2HB LYS 68 -7.825 3.544 6.809 534 HG2 LYS 68 1HG LYS 68 -6.146 5.903 5.887 535 HG3 LYS 68 2HG LYS 68 -6.958 4.749 4.823 536 HD2 LYS 68 1HD LYS 68 -9.144 5.406 5.802 537 HD3 LYS 68 2HD LYS 68 -8.326 6.586 6.829 538 HE2 LYS 68 1HE LYS 68 -7.629 7.859 4.857 539 HE3 LYS 68 2HE LYS 68 -8.327 6.632 3.791 540 HZ1 LYS 68 3HZ LYS 68 -9.854 8.274 5.737 541 HZ2 LYS 68 1HZ LYS 68 -10.504 7.131 4.674 542 HZ3 LYS 68 2HZ LYS 68 -9.786 8.535 4.070 543 H GLY 69 H GLY 69 -5.141 3.554 9.877 544 HA2 GLY 69 1HA GLY 69 -5.309 2.194 11.740 545 HA3 GLY 69 2HA GLY 69 -7.042 2.027 11.489 546 H ILE 70 H ILE 70 -5.893 1.545 8.551 547 HA ILE 70 HA ILE 70 -6.483 -1.199 8.422 548 HB ILE 70 HB ILE 70 -4.795 0.330 6.377 549 HG12 ILE 70 1HG1 ILE 70 -7.828 -0.091 6.450 550 HG13 ILE 70 2HG1 ILE 70 -7.007 1.425 6.797 551 HG21 ILE 70 1HG2 ILE 70 -6.393 -2.246 6.046 552 HG22 ILE 70 2HG2 ILE 70 -4.634 -2.117 6.068 553 HG23 ILE 70 3HG2 ILE 70 -5.553 -1.387 4.753 554 HD11 ILE 70 3HD1 ILE 70 -7.965 1.432 4.565 555 HD12 ILE 70 1HD1 ILE 70 -7.031 0.000 4.130 556 HD13 ILE 70 2HD1 ILE 70 -6.207 1.521 4.479 557 H GLU 71 H GLU 71 -5.460 -2.750 9.381 558 HA GLU 71 HA GLU 71 -2.774 -2.919 10.222 559 HB2 GLU 71 1HB GLU 71 -3.160 -5.420 10.257 560 HB3 GLU 71 2HB GLU 71 -4.359 -4.492 11.154 561 HG2 GLU 71 1HG GLU 71 -5.975 -4.768 9.346 562 HG3 GLU 71 2HG GLU 71 -4.765 -5.561 8.339 563 H TYR 72 H TYR 72 -0.816 -3.627 9.080 564 HA TYR 72 HA TYR 72 -1.156 -4.276 6.236 565 HD1 TYR 72 HD2 TYR 72 -0.469 -0.904 8.769 566 HD2 TYR 72 HD1 TYR 72 2.599 -2.230 6.108 567 HE1 TYR 72 HE2 TYR 72 1.215 0.283 10.108 568 HE2 TYR 72 HE1 TYR 72 4.278 -1.041 7.446 569 HH TYR 72 HH TYR 72 4.331 0.925 8.997 570 HB2 TYR 72 1HB TYR 72 0.244 -2.463 5.476 571 HB3 TYR 72 2HB TYR 72 -1.027 -1.775 6.472 572 H ARG 73 H ARG 73 0.414 -5.424 5.317 573 HA ARG 73 HA ARG 73 2.895 -6.111 6.786 574 HE ARG 73 HE ARG 73 2.385 -9.372 7.641 575 HB2 ARG 73 1HB ARG 73 1.395 -8.059 6.414 576 HB3 ARG 73 2HB ARG 73 1.323 -7.703 4.695 577 HG2 ARG 73 1HG ARG 73 2.817 -9.569 5.054 578 HG3 ARG 73 2HG ARG 73 3.767 -8.182 4.517 579 HD2 ARG 73 1HD ARG 73 4.908 -9.397 6.327 580 HD3 ARG 73 2HD ARG 73 4.476 -7.766 6.843 581 HH11 ARG 73 1HH1 ARG 73 5.825 -9.253 8.338 582 HH12 ARG 73 2HH1 ARG 73 5.642 -9.937 9.921 583 HH21 ARG 73 1HH2 ARG 73 2.157 -10.246 9.711 584 HH22 ARG 73 2HH2 ARG 73 3.562 -10.512 10.690 585 H VAL 74 H VAL 74 4.818 -5.614 5.692 586 HA VAL 74 HA VAL 74 4.599 -4.539 2.939 587 HB VAL 74 HB VAL 74 6.797 -3.460 3.298 588 HG11 VAL 74 1HG1 VAL 74 4.754 -2.206 3.812 589 HG12 VAL 74 2HG1 VAL 74 6.053 -1.726 4.902 590 HG13 VAL 74 3HG1 VAL 74 4.773 -2.800 5.475 591 HG21 VAL 74 3HG2 VAL 74 7.864 -3.384 5.542 592 HG22 VAL 74 1HG2 VAL 74 7.815 -5.032 4.911 593 HG23 VAL 74 2HG2 VAL 74 6.669 -4.531 6.153 594 H ILE 75 H ILE 75 5.501 -5.542 1.282 595 HA ILE 75 HA ILE 75 7.202 -7.915 1.653 596 HB ILE 75 HB ILE 75 5.623 -7.052 -0.828 597 HG12 ILE 75 1HG1 ILE 75 4.356 -9.282 -0.401 598 HG13 ILE 75 2HG1 ILE 75 5.062 -9.256 1.207 599 HG21 ILE 75 1HG2 ILE 75 7.698 -8.174 -1.490 600 HG22 ILE 75 2HG2 ILE 75 6.317 -9.212 -1.841 601 HG23 ILE 75 3HG2 ILE 75 7.330 -9.542 -0.435 602 HD11 ILE 75 3HD1 ILE 75 2.775 -8.446 1.213 603 HD12 ILE 75 1HD1 ILE 75 3.187 -7.184 0.054 604 HD13 ILE 75 2HD1 ILE 75 3.880 -7.157 1.677 605 H LEU 76 H LEU 76 9.275 -7.435 1.498 606 HA LEU 76 HA LEU 76 10.284 -4.940 0.578 607 HG LEU 76 HG LEU 76 10.458 -6.566 3.339 608 HB2 LEU 76 1HB LEU 76 11.720 -7.482 1.433 609 HB3 LEU 76 2HB LEU 76 12.503 -5.930 1.174 610 HD11 LEU 76 1HD1 LEU 76 13.417 -5.944 3.552 611 HD12 LEU 76 2HD1 LEU 76 12.656 -7.521 3.796 612 HD13 LEU 76 3HD1 LEU 76 12.309 -6.196 4.906 613 HD21 LEU 76 3HD2 LEU 76 11.857 -3.927 2.777 614 HD22 LEU 76 1HD2 LEU 76 10.834 -4.279 4.175 615 HD23 LEU 76 2HD2 LEU 76 10.138 -4.265 2.558 616 HA PRO 77 HA PRO 77 11.168 -6.058 -3.673 617 HB2 PRO 77 1HB PRO 77 12.960 -4.142 -4.366 618 HB3 PRO 77 2HB PRO 77 11.271 -3.748 -4.021 619 HG2 PRO 77 1HG PRO 77 13.688 -3.453 -2.245 620 HG3 PRO 77 2HG PRO 77 12.336 -2.327 -2.484 621 HD2 PRO 77 1HD PRO 77 12.538 -4.072 -0.341 622 HD3 PRO 77 2HD PRO 77 10.997 -3.432 -0.939 623 H LYS 78 H LYS 78 13.158 -6.406 -5.152 624 HA LYS 78 HA LYS 78 14.729 -8.510 -4.134 625 HB2 LYS 78 1HB LYS 78 15.836 -8.490 -6.378 626 HB3 LYS 78 2HB LYS 78 14.086 -8.455 -6.479 627 HG2 LYS 78 1HG LYS 78 14.659 -6.937 -8.137 628 HG3 LYS 78 2HG LYS 78 14.392 -5.857 -6.768 629 HD2 LYS 78 1HD LYS 78 16.861 -5.788 -6.380 630 HD3 LYS 78 2HD LYS 78 17.098 -6.841 -7.775 631 HE2 LYS 78 1HE LYS 78 15.817 -4.088 -7.895 632 HE3 LYS 78 2HE LYS 78 17.507 -4.425 -8.268 633 HZ1 LYS 78 3HZ LYS 78 15.182 -5.579 -9.699 634 HZ2 LYS 78 1HZ LYS 78 16.807 -5.835 -10.082 635 HZ3 LYS 78 2HZ LYS 78 16.127 -4.298 -10.255 636 H GLU 79 H GLU 79 15.278 -5.109 -4.248 637 HA GLU 79 HA GLU 79 18.195 -5.262 -3.844 638 HB2 GLU 79 1HB GLU 79 18.099 -2.803 -4.298 639 HB3 GLU 79 2HB GLU 79 17.411 -3.774 -5.598 640 HG2 GLU 79 1HG GLU 79 15.125 -3.319 -4.622 641 HG3 GLU 79 2HG GLU 79 15.894 -2.187 -3.506 642 H ALA 80 H ALA 80 15.803 -5.634 -1.773 643 HA ALA 80 HA ALA 80 16.250 -3.653 0.241 644 HB1 ALA 80 3HB ALA 80 15.078 -6.437 0.525 645 HB2 ALA 80 1HB ALA 80 14.176 -4.976 0.124 646 HB3 ALA 80 2HB ALA 80 14.948 -5.128 1.703 Start of MODEL 8 1 H MET 1 H MET 1 -8.946 -2.375 7.232 2 HA MET 1 HA MET 1 -9.364 -4.057 4.837 3 HB2 MET 1 1HB MET 1 -7.798 -1.440 5.007 4 HB3 MET 1 2HB MET 1 -8.210 -2.348 3.558 5 HG2 MET 1 1HG MET 1 -9.581 -0.376 3.660 6 HG3 MET 1 2HG MET 1 -10.614 -1.778 3.950 7 HE1 MET 1 3HE MET 1 -12.220 1.012 6.253 8 HE2 MET 1 1HE MET 1 -12.539 -0.160 4.974 9 HE3 MET 1 2HE MET 1 -11.506 1.235 4.658 10 H SER 2 H SER 2 -7.170 -4.626 3.878 11 HA SER 2 HA SER 2 -5.065 -5.033 5.882 12 HG SER 2 HG SER 2 -7.533 -6.862 4.182 13 HB2 SER 2 1HB SER 2 -4.907 -7.481 5.075 14 HB3 SER 2 2HB SER 2 -6.267 -7.098 6.128 15 H ALA 3 H ALA 3 -3.340 -4.072 4.904 16 HA ALA 3 HA ALA 3 -3.429 -3.779 1.950 17 HB1 ALA 3 3HB ALA 3 -2.151 -1.715 2.249 18 HB2 ALA 3 1HB ALA 3 -2.111 -1.966 3.999 19 HB3 ALA 3 2HB ALA 3 -3.645 -1.663 3.180 20 H LYS 4 H LYS 4 -1.658 -4.305 0.752 21 HA LYS 4 HA LYS 4 0.689 -5.482 2.092 22 HB2 LYS 4 1HB LYS 4 1.099 -6.702 -0.065 23 HB3 LYS 4 2HB LYS 4 -0.406 -7.173 0.713 24 HG2 LYS 4 1HG LYS 4 -1.710 -5.890 -0.882 25 HG3 LYS 4 2HG LYS 4 -0.248 -5.202 -1.587 26 HD2 LYS 4 1HD LYS 4 -1.044 -6.920 -3.078 27 HD3 LYS 4 2HD LYS 4 0.431 -7.516 -2.317 28 HE2 LYS 4 1HE LYS 4 -1.251 -9.287 -2.426 29 HE3 LYS 4 2HE LYS 4 -0.940 -8.858 -0.744 30 HZ1 LYS 4 3HZ LYS 4 -3.315 -9.151 -1.278 31 HZ2 LYS 4 1HZ LYS 4 -3.229 -7.830 -2.332 32 HZ3 LYS 4 2HZ LYS 4 -2.958 -7.613 -0.676 33 H ILE 5 H ILE 5 2.434 -4.249 1.970 34 HA ILE 5 HA ILE 5 2.651 -2.112 -0.072 35 HB ILE 5 HB ILE 5 4.234 -2.375 2.538 36 HG12 ILE 5 1HG1 ILE 5 2.958 -0.104 3.014 37 HG13 ILE 5 2HG1 ILE 5 1.823 -0.691 1.800 38 HG21 ILE 5 1HG2 ILE 5 5.162 -0.145 1.986 39 HG22 ILE 5 2HG2 ILE 5 4.297 -0.162 0.447 40 HG23 ILE 5 3HG2 ILE 5 5.573 -1.344 0.753 41 HD11 ILE 5 3HD1 ILE 5 1.079 -1.146 4.037 42 HD12 ILE 5 1HD1 ILE 5 2.534 -2.089 4.354 43 HD13 ILE 5 2HD1 ILE 5 1.367 -2.640 3.146 44 H TYR 6 H TYR 6 4.005 -2.545 -1.653 45 HA TYR 6 HA TYR 6 6.419 -4.127 -1.268 46 HD1 TYR 6 HD1 TYR 6 2.419 -4.952 -1.946 47 HD2 TYR 6 HD2 TYR 6 5.014 -5.105 -5.343 48 HE1 TYR 6 HE1 TYR 6 0.484 -4.709 -3.434 49 HE2 TYR 6 HE2 TYR 6 3.073 -4.859 -6.833 50 HH TYR 6 HH TYR 6 -0.085 -4.059 -5.632 51 HB2 TYR 6 1HB TYR 6 5.881 -5.676 -3.157 52 HB3 TYR 6 2HB TYR 6 4.793 -5.902 -1.796 53 H ARG 7 H ARG 7 7.449 -4.273 -3.555 54 HA ARG 7 HA ARG 7 7.052 -1.795 -5.096 55 HE ARG 7 HE ARG 7 12.412 -0.562 -5.978 56 HB2 ARG 7 1HB ARG 7 8.825 -1.500 -3.334 57 HB3 ARG 7 2HB ARG 7 9.720 -2.831 -4.042 58 HG2 ARG 7 1HG ARG 7 10.140 -1.513 -6.064 59 HG3 ARG 7 2HG ARG 7 9.113 -0.218 -5.466 60 HD2 ARG 7 1HD ARG 7 10.632 0.461 -3.853 61 HD3 ARG 7 2HD ARG 7 11.388 -1.117 -3.727 62 HH11 ARG 7 1HH1 ARG 7 11.437 2.064 -3.857 63 HH12 ARG 7 2HH1 ARG 7 12.835 3.031 -4.196 64 HH21 ARG 7 1HH2 ARG 7 14.276 0.688 -6.365 65 HH22 ARG 7 2HH2 ARG 7 14.453 2.241 -5.617 66 HA PRO 8 HA PRO 8 6.655 -5.611 -7.461 67 HB2 PRO 8 1HB PRO 8 5.706 -4.505 -9.824 68 HB3 PRO 8 2HB PRO 8 4.709 -4.805 -8.394 69 HG2 PRO 8 1HG PRO 8 6.021 -2.256 -9.302 70 HG3 PRO 8 2HG PRO 8 4.381 -2.500 -8.659 71 HD2 PRO 8 1HD PRO 8 6.366 -1.532 -7.102 72 HD3 PRO 8 2HD PRO 8 5.125 -2.621 -6.442 73 H ALA 9 H ALA 9 8.490 -6.590 -8.039 74 HA ALA 9 HA ALA 9 10.510 -5.498 -9.778 75 HB1 ALA 9 3HB ALA 9 11.048 -7.166 -8.041 76 HB2 ALA 9 1HB ALA 9 11.520 -7.745 -9.639 77 HB3 ALA 9 2HB ALA 9 10.055 -8.366 -8.869 78 H LYS 10 H LYS 10 7.496 -7.021 -10.233 79 HA LYS 10 HA LYS 10 7.797 -8.057 -12.864 80 HB2 LYS 10 1HB LYS 10 5.307 -8.107 -12.864 81 HB3 LYS 10 2HB LYS 10 5.991 -8.813 -11.402 82 HG2 LYS 10 1HG LYS 10 5.563 -6.595 -10.248 83 HG3 LYS 10 2HG LYS 10 4.672 -6.097 -11.686 84 HD2 LYS 10 1HD LYS 10 3.999 -8.475 -9.908 85 HD3 LYS 10 2HD LYS 10 3.178 -6.914 -9.885 86 HE2 LYS 10 1HE LYS 10 2.415 -7.281 -12.208 87 HE3 LYS 10 2HE LYS 10 3.241 -8.842 -12.234 88 HZ1 LYS 10 3HZ LYS 10 1.808 -9.579 -10.440 89 HZ2 LYS 10 1HZ LYS 10 0.902 -9.092 -11.779 90 HZ3 LYS 10 2HZ LYS 10 1.015 -8.087 -10.425 91 H THR 11 H THR 11 7.077 -4.807 -11.580 92 HA THR 11 HA THR 11 6.503 -3.680 -14.182 93 HB THR 11 HB THR 11 6.732 -1.442 -13.083 94 HG1 THR 11 HG1 THR 11 8.082 -2.805 -11.262 95 HG21 THR 11 3HG2 THR 11 4.528 -2.531 -13.058 96 HG22 THR 11 1HG2 THR 11 4.787 -1.613 -11.571 97 HG23 THR 11 2HG2 THR 11 4.946 -3.372 -11.562 98 H ALA 12 H ALA 12 7.894 -2.755 -15.561 99 HA ALA 12 HA ALA 12 10.780 -3.002 -15.171 100 HB1 ALA 12 3HB ALA 12 9.759 -3.751 -17.292 101 HB2 ALA 12 1HB ALA 12 10.886 -2.420 -17.574 102 HB3 ALA 12 2HB ALA 12 9.145 -2.122 -17.588 103 H MET 13 H MET 13 11.488 -0.768 -16.880 104 HA MET 13 HA MET 13 11.941 1.332 -15.137 105 HB2 MET 13 1HB MET 13 12.561 2.647 -17.168 106 HB3 MET 13 2HB MET 13 13.234 1.024 -17.189 107 HG2 MET 13 1HG MET 13 11.436 0.313 -18.734 108 HG3 MET 13 2HG MET 13 10.815 1.967 -18.746 109 HE1 MET 13 3HE MET 13 12.443 1.546 -22.327 110 HE2 MET 13 1HE MET 13 10.986 2.031 -21.459 111 HE3 MET 13 2HE MET 13 11.540 0.356 -21.392 112 H GLN 14 H GLN 14 9.039 0.695 -16.971 113 HA GLN 14 HA GLN 14 7.871 3.319 -16.896 114 HB2 GLN 14 1HB GLN 14 6.466 0.623 -17.211 115 HB3 GLN 14 2HB GLN 14 5.793 2.200 -17.619 116 HG2 GLN 14 1HG GLN 14 7.460 2.453 -19.417 117 HG3 GLN 14 2HG GLN 14 8.172 0.900 -18.977 118 HE21 GLN 14 2HE2 GLN 14 5.434 2.466 -20.502 119 HE22 GLN 14 1HE2 GLN 14 4.774 1.037 -21.219 120 H SER 15 H SER 15 8.056 4.025 -14.788 121 HA SER 15 HA SER 15 6.320 2.792 -12.726 122 HG SER 15 HG SER 15 8.790 3.752 -10.226 123 HB2 SER 15 1HB SER 15 8.741 2.384 -12.271 124 HB3 SER 15 2HB SER 15 9.043 4.118 -12.328 125 H GLY 16 H GLY 16 6.804 5.431 -14.695 126 HA2 GLY 16 1HA GLY 16 5.802 7.485 -14.828 127 HA3 GLY 16 2HA GLY 16 4.894 7.108 -13.373 128 H THR 17 H THR 17 8.395 7.172 -13.727 129 HA THR 17 HA THR 17 8.889 9.722 -12.522 130 HB THR 17 HB THR 17 8.138 8.515 -10.479 131 HG1 THR 17 HG1 THR 17 9.613 9.519 -9.379 132 HG21 THR 17 3HG2 THR 17 8.706 6.196 -11.106 133 HG22 THR 17 1HG2 THR 17 9.384 6.617 -9.531 134 HG23 THR 17 2HG2 THR 17 10.425 6.570 -10.956 135 H ALA 18 H ALA 18 11.544 9.239 -11.596 136 HA ALA 18 HA ALA 18 13.113 8.625 -13.885 137 HB1 ALA 18 3HB ALA 18 15.037 8.674 -12.345 138 HB2 ALA 18 1HB ALA 18 13.944 8.633 -10.958 139 HB3 ALA 18 2HB ALA 18 13.952 10.030 -12.035 140 H LYS 19 H LYS 19 14.892 6.764 -13.694 141 HA LYS 19 HA LYS 19 13.409 4.327 -13.945 142 HB2 LYS 19 1HB LYS 19 15.390 4.938 -15.363 143 HB3 LYS 19 2HB LYS 19 16.435 4.675 -13.970 144 HG2 LYS 19 1HG LYS 19 15.618 2.280 -13.902 145 HG3 LYS 19 2HG LYS 19 14.746 2.587 -15.406 146 HD2 LYS 19 1HD LYS 19 17.758 2.716 -14.989 147 HD3 LYS 19 2HD LYS 19 16.874 1.479 -15.883 148 HE2 LYS 19 1HE LYS 19 16.210 3.136 -17.568 149 HE3 LYS 19 2HE LYS 19 17.000 4.418 -16.647 150 HZ1 LYS 19 3HZ LYS 19 19.114 3.282 -16.994 151 HZ2 LYS 19 1HZ LYS 19 18.380 3.694 -18.454 152 HZ3 LYS 19 2HZ LYS 19 18.340 2.094 -17.917 153 H THR 20 H THR 20 12.549 4.092 -11.872 154 HA THR 20 HA THR 20 13.957 2.280 -10.205 155 HB THR 20 HB THR 20 14.875 4.364 -9.218 156 HG1 THR 20 HG1 THR 20 13.156 3.659 -7.176 157 HG21 THR 20 3HG2 THR 20 13.459 5.982 -8.014 158 HG22 THR 20 1HG2 THR 20 12.007 5.133 -8.553 159 HG23 THR 20 2HG2 THR 20 13.039 5.950 -9.730 160 H ASN 21 H ASN 21 12.516 0.973 -9.173 161 HA ASN 21 HA ASN 21 9.789 1.021 -9.981 162 HB2 ASN 21 1HB ASN 21 11.175 -0.689 -7.865 163 HB3 ASN 21 2HB ASN 21 9.571 -1.001 -8.529 164 HD21 ASN 21 2HD2 ASN 21 9.396 -1.695 -10.693 165 HD22 ASN 21 1HD2 ASN 21 10.732 -2.404 -11.528 166 H VAL 22 H VAL 22 8.063 1.847 -8.990 167 HA VAL 22 HA VAL 22 8.307 3.389 -6.535 168 HB VAL 22 HB VAL 22 6.977 4.196 -8.521 169 HG11 VAL 22 1HG1 VAL 22 6.015 2.062 -9.287 170 HG12 VAL 22 2HG1 VAL 22 4.742 3.255 -9.013 171 HG13 VAL 22 3HG1 VAL 22 5.016 1.972 -7.832 172 HG21 VAL 22 3HG2 VAL 22 6.534 5.133 -6.309 173 HG22 VAL 22 1HG2 VAL 22 5.370 3.848 -5.977 174 HG23 VAL 22 2HG2 VAL 22 5.036 5.039 -7.241 175 H TRP 23 H TRP 23 6.793 2.977 -4.677 176 HA TRP 23 HA TRP 23 6.419 0.121 -4.121 177 HD1 TRP 23 HD1 TRP 23 8.920 2.922 -3.018 178 HE1 TRP 23 HE1 TRP 23 10.991 1.852 -1.960 179 HE3 TRP 23 HE3 TRP 23 6.713 -1.110 -0.778 180 HZ2 TRP 23 HZ2 TRP 23 11.636 -0.421 -0.413 181 HZ3 TRP 23 HZ3 TRP 23 8.128 -2.703 0.459 182 HH2 TRP 23 HH2 TRP 23 10.542 -2.365 0.643 183 HB2 TRP 23 1HB TRP 23 6.236 2.581 -2.325 184 HB3 TRP 23 2HB TRP 23 5.806 0.960 -1.788 185 H VAL 24 H VAL 24 4.409 -0.766 -4.204 186 HA VAL 24 HA VAL 24 2.063 0.972 -4.638 187 HB VAL 24 HB VAL 24 2.391 -2.027 -5.099 188 HG11 VAL 24 1HG1 VAL 24 -0.023 -0.273 -5.724 189 HG12 VAL 24 2HG1 VAL 24 0.053 -1.538 -4.494 190 HG13 VAL 24 3HG1 VAL 24 0.167 -1.965 -6.202 191 HG21 VAL 24 3HG2 VAL 24 2.184 0.235 -7.119 192 HG22 VAL 24 1HG2 VAL 24 2.254 -1.487 -7.506 193 HG23 VAL 24 2HG2 VAL 24 3.640 -0.694 -6.752 194 H LEU 25 H LEU 25 0.420 1.018 -3.257 195 HA LEU 25 HA LEU 25 0.361 -0.623 -0.803 196 HG LEU 25 HG LEU 25 -0.799 2.488 1.154 197 HB2 LEU 25 1HB LEU 25 0.744 1.846 -0.491 198 HB3 LEU 25 2HB LEU 25 -0.714 2.196 -1.386 199 HD11 LEU 25 1HD1 LEU 25 -2.847 2.427 -0.173 200 HD12 LEU 25 2HD1 LEU 25 -3.071 1.708 1.419 201 HD13 LEU 25 3HD1 LEU 25 -2.918 0.672 -0.004 202 HD21 LEU 25 3HD2 LEU 25 0.421 0.488 1.805 203 HD22 LEU 25 1HD2 LEU 25 -0.860 -0.540 1.156 204 HD23 LEU 25 2HD2 LEU 25 -1.178 0.506 2.545 205 H GLU 26 H GLU 26 -0.994 -2.252 -1.338 206 HA GLU 26 HA GLU 26 -3.480 -1.677 -2.876 207 HB2 GLU 26 1HB GLU 26 -1.897 -3.201 -4.044 208 HB3 GLU 26 2HB GLU 26 -1.893 -4.281 -2.656 209 HG2 GLU 26 1HG GLU 26 -4.391 -4.599 -3.032 210 HG3 GLU 26 2HG GLU 26 -4.199 -3.705 -4.538 211 H PHE 27 H PHE 27 -5.390 -2.061 -1.801 212 HA PHE 27 HA PHE 27 -5.490 -3.930 0.454 213 HD1 PHE 27 HD2 PHE 27 -4.851 0.175 -0.193 214 HD2 PHE 27 HD1 PHE 27 -8.625 -1.051 1.419 215 HE1 PHE 27 HE2 PHE 27 -5.839 2.324 -0.855 216 HE2 PHE 27 HE1 PHE 27 -9.600 1.102 0.747 217 HZ PHE 27 HZ PHE 27 -8.213 2.794 -0.386 218 HB2 PHE 27 1HB PHE 27 -6.647 -2.333 1.926 219 HB3 PHE 27 2HB PHE 27 -5.052 -1.735 1.500 220 H ASP 28 H ASP 28 -7.569 -4.722 0.934 221 HA ASP 28 HA ASP 28 -9.501 -4.784 -1.177 222 HB2 ASP 28 1HB ASP 28 -10.901 -6.077 0.408 223 HB3 ASP 28 2HB ASP 28 -9.260 -6.703 0.341 224 H ALA 29 H ALA 29 -10.819 -3.174 -1.663 225 HA ALA 29 HA ALA 29 -11.151 -0.816 -0.084 226 HB1 ALA 29 3HB ALA 29 -12.575 -0.043 -1.925 227 HB2 ALA 29 1HB ALA 29 -12.625 -1.679 -2.593 228 HB3 ALA 29 2HB ALA 29 -11.104 -0.792 -2.547 229 H GLU 30 H GLU 30 -12.959 -0.073 1.041 230 HA GLU 30 HA GLU 30 -14.597 -2.054 2.318 231 HB2 GLU 30 1HB GLU 30 -15.445 -0.201 3.677 232 HB3 GLU 30 2HB GLU 30 -13.702 -0.060 3.497 233 HG2 GLU 30 1HG GLU 30 -14.035 1.648 1.727 234 HG3 GLU 30 2HG GLU 30 -15.777 1.539 1.970 235 H VAL 31 H VAL 31 -15.025 -0.794 -0.671 236 HA VAL 31 HA VAL 31 -17.707 0.127 -0.667 237 HB VAL 31 HB VAL 31 -16.122 0.903 -2.379 238 HG11 VAL 31 1HG1 VAL 31 -15.304 -0.543 -4.209 239 HG12 VAL 31 2HG1 VAL 31 -16.061 -1.946 -3.450 240 HG13 VAL 31 3HG1 VAL 31 -14.737 -1.114 -2.637 241 HG21 VAL 31 3HG2 VAL 31 -17.538 0.679 -4.389 242 HG22 VAL 31 1HG2 VAL 31 -18.529 0.924 -2.946 243 HG23 VAL 31 2HG2 VAL 31 -18.385 -0.685 -3.655 244 HA PRO 32 HA PRO 32 -19.691 -4.011 -0.811 245 HB2 PRO 32 1HB PRO 32 -22.069 -2.348 -1.608 246 HB3 PRO 32 2HB PRO 32 -21.902 -3.513 -0.288 247 HG2 PRO 32 1HG PRO 32 -21.985 -0.877 0.198 248 HG3 PRO 32 2HG PRO 32 -20.939 -1.953 1.151 249 HD2 PRO 32 1HD PRO 32 -20.180 -0.105 -1.117 250 HD3 PRO 32 2HD PRO 32 -19.345 -0.420 0.416 251 H ARG 33 H ARG 33 -21.615 -4.696 -2.500 252 HA ARG 33 HA ARG 33 -20.651 -4.819 -5.153 253 HE ARG 33 HE ARG 33 -25.699 -4.850 -2.074 254 HB2 ARG 33 1HB ARG 33 -23.027 -5.678 -5.635 255 HB3 ARG 33 2HB ARG 33 -22.082 -6.565 -4.455 256 HG2 ARG 33 1HG ARG 33 -24.282 -6.459 -3.578 257 HG3 ARG 33 2HG ARG 33 -23.332 -5.315 -2.637 258 HD2 ARG 33 1HD ARG 33 -24.280 -3.472 -4.083 259 HD3 ARG 33 2HD ARG 33 -25.331 -4.675 -4.835 260 HH11 ARG 33 1HH1 ARG 33 -26.338 -2.520 -4.634 261 HH12 ARG 33 2HH1 ARG 33 -27.637 -1.765 -3.770 262 HH21 ARG 33 1HH2 ARG 33 -27.401 -3.838 -0.971 263 HH22 ARG 33 2HH2 ARG 33 -28.231 -2.503 -1.700 264 H LYS 34 H LYS 34 -22.092 -2.217 -3.573 265 HA LYS 34 HA LYS 34 -23.736 -1.017 -5.493 266 HB2 LYS 34 1HB LYS 34 -23.733 -0.362 -3.108 267 HB3 LYS 34 2HB LYS 34 -22.104 0.276 -3.269 268 HG2 LYS 34 1HG LYS 34 -23.689 2.107 -3.250 269 HG3 LYS 34 2HG LYS 34 -22.952 1.999 -4.849 270 HD2 LYS 34 1HD LYS 34 -25.347 2.443 -5.054 271 HD3 LYS 34 2HD LYS 34 -24.980 0.842 -5.696 272 HE2 LYS 34 1HE LYS 34 -27.052 0.832 -4.372 273 HE3 LYS 34 2HE LYS 34 -25.824 -0.185 -3.615 274 HZ1 LYS 34 3HZ LYS 34 -26.975 1.192 -1.996 275 HZ2 LYS 34 1HZ LYS 34 -26.509 2.595 -2.814 276 HZ3 LYS 34 2HZ LYS 34 -25.343 1.620 -2.077 277 H ILE 35 H ILE 35 -22.900 -0.942 -7.497 278 HA ILE 35 HA ILE 35 -20.309 0.211 -8.143 279 HB ILE 35 HB ILE 35 -20.978 -0.197 -10.511 280 HG12 ILE 35 1HG1 ILE 35 -23.618 -1.236 -9.349 281 HG13 ILE 35 2HG1 ILE 35 -23.430 0.251 -10.264 282 HG21 ILE 35 1HG2 ILE 35 -21.448 -2.594 -8.701 283 HG22 ILE 35 2HG2 ILE 35 -19.884 -1.995 -9.260 284 HG23 ILE 35 3HG2 ILE 35 -21.033 -2.661 -10.417 285 HD11 ILE 35 3HD1 ILE 35 -24.406 -1.467 -11.630 286 HD12 ILE 35 1HD1 ILE 35 -23.057 -2.551 -11.305 287 HD13 ILE 35 2HD1 ILE 35 -22.798 -1.077 -12.243 288 H ASP 36 H ASP 36 -20.138 2.033 -9.690 289 HA ASP 36 HA ASP 36 -22.143 4.130 -9.471 290 HB2 ASP 36 1HB ASP 36 -19.622 3.962 -11.194 291 HB3 ASP 36 2HB ASP 36 -20.627 5.399 -11.007 292 HA PRO 37 HA PRO 37 -24.479 2.305 -12.874 293 HB2 PRO 37 1HB PRO 37 -26.270 4.346 -13.315 294 HB3 PRO 37 2HB PRO 37 -26.388 3.213 -11.964 295 HG2 PRO 37 1HG PRO 37 -25.233 5.997 -12.004 296 HG3 PRO 37 2HG PRO 37 -26.319 5.256 -10.808 297 HD2 PRO 37 1HD PRO 37 -23.654 5.466 -10.367 298 HD3 PRO 37 2HD PRO 37 -24.579 4.069 -9.775 299 H ILE 38 H ILE 38 -22.436 5.030 -13.220 300 HA ILE 38 HA ILE 38 -22.534 5.519 -15.996 301 HB ILE 38 HB ILE 38 -20.163 5.459 -14.075 302 HG12 ILE 38 1HG1 ILE 38 -21.804 7.230 -13.608 303 HG13 ILE 38 2HG1 ILE 38 -20.293 7.930 -14.163 304 HG21 ILE 38 1HG2 ILE 38 -18.830 6.689 -15.779 305 HG22 ILE 38 2HG2 ILE 38 -20.114 6.422 -16.961 306 HG23 ILE 38 3HG2 ILE 38 -19.233 5.047 -16.288 307 HD11 ILE 38 3HD1 ILE 38 -21.314 8.265 -16.398 308 HD12 ILE 38 1HD1 ILE 38 -22.169 9.108 -15.105 309 HD13 ILE 38 2HD1 ILE 38 -22.831 7.617 -15.767 310 H MET 39 H MET 39 -20.863 3.007 -14.121 311 HA MET 39 HA MET 39 -20.055 1.588 -16.596 312 HB2 MET 39 1HB MET 39 -18.274 0.552 -15.210 313 HB3 MET 39 2HB MET 39 -18.156 2.303 -15.229 314 HG2 MET 39 1HG MET 39 -19.050 2.461 -12.997 315 HG3 MET 39 2HG MET 39 -19.410 0.735 -12.969 316 HE1 MET 39 3HE MET 39 -16.742 -0.478 -14.373 317 HE2 MET 39 1HE MET 39 -17.547 -1.172 -12.963 318 HE3 MET 39 2HE MET 39 -15.813 -0.844 -12.921 319 H GLY 40 H GLY 40 -19.624 -0.889 -15.949 320 HA2 GLY 40 1HA GLY 40 -22.242 -2.021 -15.381 321 HA3 GLY 40 2HA GLY 40 -20.827 -2.868 -15.986 322 H TYR 41 H TYR 41 -21.773 -4.431 -14.388 323 HA TYR 41 HA TYR 41 -21.258 -3.848 -11.556 324 HD1 TYR 41 HD2 TYR 41 -22.804 -4.277 -9.572 325 HD2 TYR 41 HD1 TYR 41 -22.812 -8.080 -11.534 326 HE1 TYR 41 HE2 TYR 41 -22.957 -5.406 -7.398 327 HE2 TYR 41 HE1 TYR 41 -22.969 -9.198 -9.353 328 HH TYR 41 HH TYR 41 -22.480 -8.789 -7.027 329 HB2 TYR 41 1HB TYR 41 -23.507 -4.665 -12.154 330 HB3 TYR 41 2HB TYR 41 -22.814 -6.112 -12.874 331 H THR 42 H THR 42 -20.094 -5.930 -14.157 332 HA THR 42 HA THR 42 -19.290 -8.157 -12.605 333 HB THR 42 HB THR 42 -19.756 -8.296 -15.035 334 HG1 THR 42 HG1 THR 42 -17.093 -9.140 -14.450 335 HG21 THR 42 3HG2 THR 42 -17.071 -6.918 -15.426 336 HG22 THR 42 1HG2 THR 42 -18.647 -6.237 -15.828 337 HG23 THR 42 2HG2 THR 42 -18.049 -7.650 -16.700 338 H SER 43 H SER 43 -17.723 -5.119 -12.951 339 HA SER 43 HA SER 43 -15.014 -5.949 -12.507 340 HG SER 43 HG SER 43 -15.149 -4.552 -14.303 341 HB2 SER 43 1HB SER 43 -16.330 -3.239 -12.108 342 HB3 SER 43 2HB SER 43 -14.589 -3.538 -12.125 343 H SER 44 H SER 44 -17.733 -5.368 -10.384 344 HA SER 44 HA SER 44 -16.111 -6.095 -8.032 345 HG SER 44 HG SER 44 -19.053 -4.084 -8.356 346 HB2 SER 44 1HB SER 44 -17.367 -4.364 -6.681 347 HB3 SER 44 2HB SER 44 -16.281 -3.671 -7.884 348 H SER 45 H SER 45 -16.977 -7.902 -7.309 349 HA SER 45 HA SER 45 -19.699 -8.732 -7.875 350 HG SER 45 HG SER 45 -19.303 -11.619 -7.758 351 HB2 SER 45 1HB SER 45 -17.715 -10.286 -8.019 352 HB3 SER 45 2HB SER 45 -17.525 -10.154 -6.273 353 H ASP 46 H ASP 46 -20.529 -10.126 -5.723 354 HA ASP 46 HA ASP 46 -21.866 -8.255 -4.149 355 HB2 ASP 46 1HB ASP 46 -21.426 -11.232 -3.704 356 HB3 ASP 46 2HB ASP 46 -22.523 -10.261 -2.722 357 H MET 47 H MET 47 -18.735 -9.705 -3.555 358 HA MET 47 HA MET 47 -18.600 -9.041 -0.755 359 HB2 MET 47 1HB MET 47 -16.305 -9.605 -2.684 360 HB3 MET 47 2HB MET 47 -16.170 -9.517 -0.932 361 HG2 MET 47 1HG MET 47 -16.184 -11.819 -1.450 362 HG3 MET 47 2HG MET 47 -17.803 -11.473 -0.843 363 HE1 MET 47 3HE MET 47 -16.198 -10.764 -4.442 364 HE2 MET 47 1HE MET 47 -16.746 -12.216 -5.283 365 HE3 MET 47 2HE MET 47 -15.596 -12.353 -3.956 366 H LYS 48 H LYS 48 -16.560 -7.767 -3.404 367 HA LYS 48 HA LYS 48 -16.783 -5.011 -2.982 368 HB2 LYS 48 1HB LYS 48 -14.817 -4.518 -1.560 369 HB3 LYS 48 2HB LYS 48 -15.956 -5.539 -0.691 370 HG2 LYS 48 1HG LYS 48 -14.305 -7.467 -1.722 371 HG3 LYS 48 2HG LYS 48 -13.163 -6.133 -1.570 372 HD2 LYS 48 1HD LYS 48 -14.819 -7.413 0.641 373 HD3 LYS 48 2HD LYS 48 -13.066 -7.481 0.452 374 HE2 LYS 48 1HE LYS 48 -12.938 -5.040 0.872 375 HE3 LYS 48 2HE LYS 48 -14.690 -4.986 1.076 376 HZ1 LYS 48 3HZ LYS 48 -13.681 -5.052 3.191 377 HZ2 LYS 48 1HZ LYS 48 -12.717 -6.376 2.776 378 HZ3 LYS 48 2HZ LYS 48 -14.387 -6.567 2.936 379 H GLN 49 H GLN 49 -14.246 -4.099 -3.489 380 HA GLN 49 HA GLN 49 -12.910 -5.858 -5.453 381 HB2 GLN 49 1HB GLN 49 -12.600 -4.027 -7.034 382 HB3 GLN 49 2HB GLN 49 -14.322 -4.198 -6.700 383 HG2 GLN 49 1HG GLN 49 -14.191 -2.294 -5.126 384 HG3 GLN 49 2HG GLN 49 -12.481 -2.097 -5.520 385 HE21 GLN 49 2HE2 GLN 49 -12.756 -0.003 -6.353 386 HE22 GLN 49 1HE2 GLN 49 -13.617 0.317 -7.817 387 H GLN 50 H GLN 50 -10.731 -4.439 -6.059 388 HA GLN 50 HA GLN 50 -9.447 -3.782 -3.472 389 HB2 GLN 50 1HB GLN 50 -7.315 -4.377 -4.449 390 HB3 GLN 50 2HB GLN 50 -8.434 -5.692 -4.759 391 HG2 GLN 50 1HG GLN 50 -7.692 -3.583 -6.814 392 HG3 GLN 50 2HG GLN 50 -6.884 -5.140 -6.663 393 HE21 GLN 50 2HE2 GLN 50 -8.429 -3.960 -8.894 394 HE22 GLN 50 1HE2 GLN 50 -9.658 -5.118 -9.269 395 H VAL 51 H VAL 51 -7.849 -2.135 -3.519 396 HA VAL 51 HA VAL 51 -7.919 -0.081 -5.637 397 HB VAL 51 HB VAL 51 -8.369 0.533 -2.666 398 HG11 VAL 51 1HG1 VAL 51 -6.646 2.113 -3.468 399 HG12 VAL 51 2HG1 VAL 51 -8.171 2.954 -3.193 400 HG13 VAL 51 3HG1 VAL 51 -7.669 2.559 -4.839 401 HG21 VAL 51 3HG2 VAL 51 -9.983 1.372 -5.105 402 HG22 VAL 51 1HG2 VAL 51 -10.367 1.751 -3.424 403 HG23 VAL 51 2HG2 VAL 51 -10.417 0.080 -3.990 404 H LYS 52 H LYS 52 -5.920 0.992 -5.881 405 HA LYS 52 HA LYS 52 -3.757 0.354 -4.019 406 HB2 LYS 52 1HB LYS 52 -2.236 -0.327 -5.897 407 HB3 LYS 52 2HB LYS 52 -3.543 -1.447 -5.550 408 HG2 LYS 52 1HG LYS 52 -4.808 -0.437 -7.506 409 HG3 LYS 52 2HG LYS 52 -3.337 0.452 -7.907 410 HD2 LYS 52 1HD LYS 52 -3.542 -1.628 -9.240 411 HD3 LYS 52 2HD LYS 52 -2.111 -1.661 -8.204 412 HE2 LYS 52 1HE LYS 52 -3.342 -3.059 -6.560 413 HE3 LYS 52 2HE LYS 52 -4.762 -3.036 -7.609 414 HZ1 LYS 52 3HZ LYS 52 -2.175 -4.033 -8.583 415 HZ2 LYS 52 1HZ LYS 52 -3.725 -4.369 -9.154 416 HZ3 LYS 52 2HZ LYS 52 -3.204 -5.026 -7.680 417 H LEU 53 H LEU 53 -2.209 1.759 -3.863 418 HA LEU 53 HA LEU 53 -2.326 4.337 -5.329 419 HG LEU 53 HG LEU 53 -3.885 3.477 -2.485 420 HB2 LEU 53 1HB LEU 53 -1.448 3.903 -2.440 421 HB3 LEU 53 2HB LEU 53 -1.688 5.442 -3.252 422 HD11 LEU 53 1HD1 LEU 53 -4.552 5.143 -0.808 423 HD12 LEU 53 2HD1 LEU 53 -3.146 6.130 -1.219 424 HD13 LEU 53 3HD1 LEU 53 -2.927 4.525 -0.518 425 HD21 LEU 53 3HD2 LEU 53 -4.157 6.247 -3.697 426 HD22 LEU 53 1HD2 LEU 53 -5.484 5.234 -3.115 427 HD23 LEU 53 2HD2 LEU 53 -4.519 4.713 -4.495 428 H THR 54 H THR 54 -0.177 5.336 -5.614 429 HA THR 54 HA THR 54 2.139 3.513 -5.235 430 HB THR 54 HB THR 54 3.161 4.778 -7.187 431 HG1 THR 54 HG1 THR 54 2.074 6.342 -8.097 432 HG21 THR 54 3HG2 THR 54 2.159 2.534 -7.518 433 HG22 THR 54 1HG2 THR 54 1.930 3.563 -8.936 434 HG23 THR 54 2HG2 THR 54 0.589 3.285 -7.823 435 H PHE 55 H PHE 55 3.846 4.276 -4.142 436 HA PHE 55 HA PHE 55 4.130 7.124 -3.405 437 HD1 PHE 55 HD2 PHE 55 2.998 8.200 -0.865 438 HD2 PHE 55 HD1 PHE 55 1.848 4.139 -1.556 439 HE1 PHE 55 HE2 PHE 55 0.709 8.713 -0.130 440 HE2 PHE 55 HE1 PHE 55 -0.434 4.666 -0.819 441 HZ PHE 55 HZ PHE 55 -1.005 6.948 -0.105 442 HB2 PHE 55 1HB PHE 55 4.204 4.745 -1.486 443 HB3 PHE 55 2HB PHE 55 4.694 6.376 -1.062 444 H GLU 56 H GLU 56 6.306 7.729 -2.889 445 HA GLU 56 HA GLU 56 8.253 6.550 -4.584 446 HB2 GLU 56 1HB GLU 56 8.772 8.503 -2.307 447 HB3 GLU 56 2HB GLU 56 9.807 8.220 -3.702 448 HG2 GLU 56 1HG GLU 56 8.139 9.195 -5.180 449 HG3 GLU 56 2HG GLU 56 7.019 9.395 -3.832 450 H THR 57 H THR 57 7.577 6.147 -1.158 451 HA THR 57 HA THR 57 9.706 4.126 -0.886 452 HB THR 57 HB THR 57 10.122 4.968 1.502 453 HG1 THR 57 HG1 THR 57 9.671 7.374 1.600 454 HG21 THR 57 3HG2 THR 57 11.784 5.356 -0.264 455 HG22 THR 57 1HG2 THR 57 11.703 6.737 0.833 456 HG23 THR 57 2HG2 THR 57 10.940 6.828 -0.754 457 H GLN 58 H GLN 58 9.413 2.680 0.898 458 HA GLN 58 HA GLN 58 6.927 1.557 1.300 459 HB2 GLN 58 1HB GLN 58 9.052 0.404 1.736 460 HB3 GLN 58 2HB GLN 58 9.394 1.478 3.088 461 HG2 GLN 58 1HG GLN 58 7.375 0.556 4.257 462 HG3 GLN 58 2HG GLN 58 7.175 -0.583 2.923 463 HE21 GLN 58 2HE2 GLN 58 7.768 -0.959 5.813 464 HE22 GLN 58 1HE2 GLN 58 9.179 -1.954 5.857 465 H GLU 59 H GLU 59 8.723 3.778 3.373 466 HA GLU 59 HA GLU 59 7.173 4.041 5.610 467 HB2 GLU 59 1HB GLU 59 8.610 6.302 4.149 468 HB3 GLU 59 2HB GLU 59 8.071 6.362 5.824 469 HG2 GLU 59 1HG GLU 59 9.612 4.487 6.351 470 HG3 GLU 59 2HG GLU 59 10.196 4.530 4.686 471 H GLN 60 H GLN 60 6.664 5.703 2.504 472 HA GLN 60 HA GLN 60 4.602 7.481 3.409 473 HB2 GLN 60 1HB GLN 60 5.374 6.594 0.603 474 HB3 GLN 60 2HB GLN 60 4.261 7.908 0.966 475 HG2 GLN 60 1HG GLN 60 6.078 9.181 2.004 476 HG3 GLN 60 2HG GLN 60 7.194 7.846 1.710 477 HE21 GLN 60 2HE2 GLN 60 8.543 9.136 0.427 478 HE22 GLN 60 1HE2 GLN 60 8.097 9.676 -1.150 479 H ALA 61 H ALA 61 4.612 4.226 1.988 480 HA ALA 61 HA ALA 61 1.824 4.208 1.249 481 HB1 ALA 61 3HB ALA 61 3.498 2.930 -0.020 482 HB2 ALA 61 1HB ALA 61 2.268 1.855 0.648 483 HB3 ALA 61 2HB ALA 61 3.861 1.956 1.407 484 H GLU 62 H GLU 62 3.824 2.830 3.819 485 HA GLU 62 HA GLU 62 1.622 1.687 5.224 486 HB2 GLU 62 1HB GLU 62 3.177 1.189 7.010 487 HB3 GLU 62 2HB GLU 62 3.867 0.765 5.453 488 HG2 GLU 62 1HG GLU 62 5.297 2.739 5.524 489 HG3 GLU 62 2HG GLU 62 4.557 3.245 7.046 490 H ALA 63 H ALA 63 3.254 4.850 5.452 491 HA ALA 63 HA ALA 63 2.067 5.833 7.770 492 HB1 ALA 63 3HB ALA 63 2.708 7.389 5.234 493 HB2 ALA 63 1HB ALA 63 3.840 7.031 6.538 494 HB3 ALA 63 2HB ALA 63 2.456 8.084 6.840 495 H TYR 64 H TYR 64 0.744 5.603 4.483 496 HA TYR 64 HA TYR 64 -1.670 7.029 4.886 497 HD1 TYR 64 HD1 TYR 64 -3.120 7.748 2.374 498 HD2 TYR 64 HD2 TYR 64 -3.116 3.497 2.869 499 HE1 TYR 64 HE1 TYR 64 -5.465 7.654 1.635 500 HE2 TYR 64 HE2 TYR 64 -5.453 3.406 2.123 501 HH TYR 64 HH TYR 64 -7.009 5.934 0.584 502 HB2 TYR 64 1HB TYR 64 -0.954 6.467 2.611 503 HB3 TYR 64 2HB TYR 64 -0.996 4.743 2.969 504 H ALA 65 H ALA 65 -1.020 3.531 4.892 505 HA ALA 65 HA ALA 65 -3.427 2.505 5.735 506 HB1 ALA 65 3HB ALA 65 -1.578 1.140 4.866 507 HB2 ALA 65 1HB ALA 65 -2.148 0.500 6.411 508 HB3 ALA 65 2HB ALA 65 -0.649 1.432 6.338 509 H GLN 66 H GLN 66 -0.708 3.495 7.817 510 HA GLN 66 HA GLN 66 -1.751 2.785 10.319 511 HB2 GLN 66 1HB GLN 66 0.368 4.809 9.505 512 HB3 GLN 66 2HB GLN 66 -0.036 4.518 11.195 513 HG2 GLN 66 1HG GLN 66 0.665 2.196 11.010 514 HG3 GLN 66 2HG GLN 66 0.953 2.384 9.281 515 HE21 GLN 66 2HE2 GLN 66 2.827 3.489 8.591 516 HE22 GLN 66 1HE2 GLN 66 4.141 3.819 9.661 517 H ARG 67 H ARG 67 -1.820 5.886 8.580 518 HA ARG 67 HA ARG 67 -3.156 7.488 10.451 519 HE ARG 67 HE ARG 67 -1.511 10.805 8.182 520 HB2 ARG 67 1HB ARG 67 -1.974 8.287 8.394 521 HB3 ARG 67 2HB ARG 67 -3.270 7.626 7.408 522 HG2 ARG 67 1HG ARG 67 -4.861 9.223 8.419 523 HG3 ARG 67 2HG ARG 67 -3.568 9.870 9.436 524 HD2 ARG 67 1HD ARG 67 -3.740 9.987 6.407 525 HD3 ARG 67 2HD ARG 67 -3.909 11.338 7.532 526 HH11 ARG 67 1HH1 ARG 67 -2.691 10.130 4.938 527 HH12 ARG 67 2HH1 ARG 67 -1.139 10.356 4.199 528 HH21 ARG 67 1HH2 ARG 67 0.533 11.061 7.201 529 HH22 ARG 67 2HH2 ARG 67 0.690 10.889 5.481 530 H LYS 68 H LYS 68 -4.363 5.163 8.081 531 HA LYS 68 HA LYS 68 -7.169 5.887 8.452 532 HB2 LYS 68 1HB LYS 68 -5.797 3.785 6.717 533 HB3 LYS 68 2HB LYS 68 -7.537 4.037 6.769 534 HG2 LYS 68 1HG LYS 68 -5.464 6.021 5.786 535 HG3 LYS 68 2HG LYS 68 -6.598 5.094 4.797 536 HD2 LYS 68 1HD LYS 68 -8.487 6.276 6.045 537 HD3 LYS 68 2HD LYS 68 -7.260 7.319 6.772 538 HE2 LYS 68 1HE LYS 68 -8.186 8.504 4.905 539 HE3 LYS 68 2HE LYS 68 -6.578 7.973 4.411 540 HZ1 LYS 68 3HZ LYS 68 -7.656 6.071 3.286 541 HZ2 LYS 68 1HZ LYS 68 -8.133 7.568 2.656 542 HZ3 LYS 68 2HZ LYS 68 -9.169 6.715 3.682 543 H GLY 69 H GLY 69 -4.854 3.671 9.797 544 HA2 GLY 69 1HA GLY 69 -5.180 2.255 11.624 545 HA3 GLY 69 2HA GLY 69 -6.911 2.233 11.326 546 H ILE 70 H ILE 70 -5.563 1.809 8.423 547 HA ILE 70 HA ILE 70 -6.341 -0.854 8.037 548 HB ILE 70 HB ILE 70 -4.353 0.734 6.354 549 HG12 ILE 70 1HG1 ILE 70 -7.359 0.338 5.988 550 HG13 ILE 70 2HG1 ILE 70 -6.590 1.816 6.549 551 HG21 ILE 70 1HG2 ILE 70 -4.886 -0.830 4.507 552 HG22 ILE 70 2HG2 ILE 70 -5.859 -1.797 5.614 553 HG23 ILE 70 3HG2 ILE 70 -4.119 -1.656 5.865 554 HD11 ILE 70 3HD1 ILE 70 -7.244 2.019 4.229 555 HD12 ILE 70 1HD1 ILE 70 -6.300 0.590 3.801 556 HD13 ILE 70 2HD1 ILE 70 -5.486 2.055 4.357 557 H GLU 71 H GLU 71 -5.560 -2.558 9.066 558 HA GLU 71 HA GLU 71 -2.897 -3.009 9.947 559 HB2 GLU 71 1HB GLU 71 -3.400 -5.443 9.930 560 HB3 GLU 71 2HB GLU 71 -4.654 -4.528 10.756 561 HG2 GLU 71 1HG GLU 71 -6.147 -4.776 8.866 562 HG3 GLU 71 2HG GLU 71 -4.867 -5.485 7.889 563 H TYR 72 H TYR 72 -1.031 -3.872 8.824 564 HA TYR 72 HA TYR 72 -1.354 -4.479 5.977 565 HD1 TYR 72 HD2 TYR 72 2.516 -2.726 6.340 566 HD2 TYR 72 HD1 TYR 72 -0.814 -0.928 8.330 567 HE1 TYR 72 HE2 TYR 72 4.053 -1.512 7.821 568 HE2 TYR 72 HE1 TYR 72 0.725 0.272 9.808 569 HH TYR 72 HH TYR 72 4.020 0.596 9.179 570 HB2 TYR 72 1HB TYR 72 0.234 -2.748 5.302 571 HB3 TYR 72 2HB TYR 72 -1.127 -2.020 6.136 572 H ARG 73 H ARG 73 0.268 -5.633 5.065 573 HA ARG 73 HA ARG 73 2.611 -6.456 6.683 574 HE ARG 73 HE ARG 73 5.268 -9.907 4.871 575 HB2 ARG 73 1HB ARG 73 1.190 -8.384 6.129 576 HB3 ARG 73 2HB ARG 73 1.124 -7.899 4.439 577 HG2 ARG 73 1HG ARG 73 2.638 -9.801 4.739 578 HG3 ARG 73 2HG ARG 73 3.515 -8.378 4.173 579 HD2 ARG 73 1HD ARG 73 4.186 -7.957 6.588 580 HD3 ARG 73 2HD ARG 73 3.484 -9.532 6.982 581 HH11 ARG 73 1HH1 ARG 73 5.453 -8.975 8.258 582 HH12 ARG 73 2HH1 ARG 73 7.074 -9.553 8.440 583 HH21 ARG 73 1HH2 ARG 73 7.365 -10.627 5.111 584 HH22 ARG 73 2HH2 ARG 73 8.171 -10.488 6.638 585 H VAL 74 H VAL 74 4.462 -5.541 6.009 586 HA VAL 74 HA VAL 74 4.774 -4.485 3.279 587 HB VAL 74 HB VAL 74 6.931 -3.521 4.040 588 HG11 VAL 74 1HG1 VAL 74 4.642 -2.853 5.929 589 HG12 VAL 74 2HG1 VAL 74 4.909 -2.169 4.324 590 HG13 VAL 74 3HG1 VAL 74 6.056 -1.835 5.620 591 HG21 VAL 74 3HG2 VAL 74 7.655 -3.623 6.406 592 HG22 VAL 74 1HG2 VAL 74 7.619 -5.234 5.679 593 HG23 VAL 74 2HG2 VAL 74 6.328 -4.732 6.773 594 H ILE 75 H ILE 75 6.031 -5.366 1.777 595 HA ILE 75 HA ILE 75 7.634 -7.795 2.274 596 HB ILE 75 HB ILE 75 6.104 -7.077 -0.291 597 HG12 ILE 75 1HG1 ILE 75 4.809 -9.312 0.306 598 HG13 ILE 75 2HG1 ILE 75 5.353 -8.996 1.944 599 HG21 ILE 75 1HG2 ILE 75 8.160 -8.301 -0.777 600 HG22 ILE 75 2HG2 ILE 75 6.760 -9.317 -1.116 601 HG23 ILE 75 3HG2 ILE 75 7.704 -9.583 0.350 602 HD11 ILE 75 3HD1 ILE 75 3.083 -8.225 1.587 603 HD12 ILE 75 1HD1 ILE 75 3.616 -7.177 0.272 604 HD13 ILE 75 2HD1 ILE 75 4.147 -6.863 1.925 605 H LEU 76 H LEU 76 9.718 -7.706 1.465 606 HA LEU 76 HA LEU 76 10.617 -5.235 0.163 607 HG LEU 76 HG LEU 76 11.285 -6.197 3.207 608 HB2 LEU 76 1HB LEU 76 12.236 -7.506 1.375 609 HB3 LEU 76 2HB LEU 76 12.918 -6.065 0.640 610 HD11 LEU 76 1HD1 LEU 76 14.164 -5.390 2.723 611 HD12 LEU 76 2HD1 LEU 76 13.606 -6.895 3.461 612 HD13 LEU 76 3HD1 LEU 76 13.317 -5.361 4.276 613 HD21 LEU 76 3HD2 LEU 76 12.317 -3.713 1.788 614 HD22 LEU 76 1HD2 LEU 76 11.595 -3.757 3.402 615 HD23 LEU 76 2HD2 LEU 76 10.627 -4.175 1.995 616 HA PRO 77 HA PRO 77 10.927 -7.435 -3.769 617 HB2 PRO 77 1HB PRO 77 11.846 -5.430 -5.271 618 HB3 PRO 77 2HB PRO 77 10.253 -5.300 -4.508 619 HG2 PRO 77 1HG PRO 77 12.883 -4.131 -3.606 620 HG3 PRO 77 2HG PRO 77 11.296 -3.344 -3.701 621 HD2 PRO 77 1HD PRO 77 12.368 -4.427 -1.387 622 HD3 PRO 77 2HD PRO 77 10.631 -4.198 -1.654 623 H LYS 78 H LYS 78 12.734 -7.489 -5.635 624 HA LYS 78 HA LYS 78 14.960 -8.829 -4.455 625 HB2 LYS 78 1HB LYS 78 15.714 -9.237 -6.826 626 HB3 LYS 78 2HB LYS 78 14.096 -9.784 -6.453 627 HG2 LYS 78 1HG LYS 78 13.966 -8.925 -8.626 628 HG3 LYS 78 2HG LYS 78 13.239 -7.687 -7.606 629 HD2 LYS 78 1HD LYS 78 14.682 -6.748 -9.391 630 HD3 LYS 78 2HD LYS 78 15.239 -6.318 -7.777 631 HE2 LYS 78 1HE LYS 78 17.131 -6.883 -9.242 632 HE3 LYS 78 2HE LYS 78 17.001 -8.047 -7.922 633 HZ1 LYS 78 3HZ LYS 78 16.051 -8.454 -10.709 634 HZ2 LYS 78 1HZ LYS 78 15.909 -9.583 -9.458 635 HZ3 LYS 78 2HZ LYS 78 17.436 -9.138 -10.028 636 H GLU 79 H GLU 79 14.598 -5.597 -5.820 637 HA GLU 79 HA GLU 79 17.501 -5.121 -5.618 638 HB2 GLU 79 1HB GLU 79 16.855 -2.843 -6.749 639 HB3 GLU 79 2HB GLU 79 16.908 -4.309 -7.704 640 HG2 GLU 79 1HG GLU 79 14.994 -3.178 -8.465 641 HG3 GLU 79 2HG GLU 79 14.377 -4.448 -7.412 642 H ALA 80 H ALA 80 14.447 -3.644 -4.503 643 HA ALA 80 HA ALA 80 13.943 -2.088 -2.927 644 HB1 ALA 80 3HB ALA 80 14.399 -4.069 -1.520 645 HB2 ALA 80 1HB ALA 80 14.809 -2.573 -0.678 646 HB3 ALA 80 2HB ALA 80 16.089 -3.572 -1.374 Start of MODEL 9 1 H MET 1 H MET 1 -9.908 -4.913 7.937 2 HA MET 1 HA MET 1 -9.842 -5.426 5.608 3 HB2 MET 1 1HB MET 1 -9.816 -2.396 5.301 4 HB3 MET 1 2HB MET 1 -9.367 -3.499 4.002 5 HG2 MET 1 1HG MET 1 -11.661 -2.717 3.750 6 HG3 MET 1 2HG MET 1 -11.620 -4.462 4.022 7 HE1 MET 1 3HE MET 1 -14.120 -4.766 4.756 8 HE2 MET 1 1HE MET 1 -14.379 -3.092 4.278 9 HE3 MET 1 2HE MET 1 -14.960 -3.658 5.844 10 H SER 2 H SER 2 -7.782 -5.678 4.559 11 HA SER 2 HA SER 2 -5.458 -4.766 6.150 12 HG SER 2 HG SER 2 -5.920 -7.487 3.843 13 HB2 SER 2 1HB SER 2 -4.482 -7.043 5.652 14 HB3 SER 2 2HB SER 2 -5.927 -7.103 6.662 15 H ALA 3 H ALA 3 -3.834 -3.881 5.002 16 HA ALA 3 HA ALA 3 -4.019 -3.770 2.046 17 HB1 ALA 3 3HB ALA 3 -2.555 -1.927 3.984 18 HB2 ALA 3 1HB ALA 3 -4.064 -1.567 3.141 19 HB3 ALA 3 2HB ALA 3 -2.572 -1.764 2.223 20 H LYS 4 H LYS 4 -2.185 -4.329 0.841 21 HA LYS 4 HA LYS 4 0.102 -5.537 2.253 22 HB2 LYS 4 1HB LYS 4 0.503 -6.866 0.201 23 HB3 LYS 4 2HB LYS 4 -1.083 -7.194 0.882 24 HG2 LYS 4 1HG LYS 4 -2.100 -5.693 -0.833 25 HG3 LYS 4 2HG LYS 4 -0.499 -5.458 -1.536 26 HD2 LYS 4 1HD LYS 4 -1.590 -7.122 -2.864 27 HD3 LYS 4 2HD LYS 4 -0.384 -7.969 -1.893 28 HE2 LYS 4 1HE LYS 4 -2.424 -9.271 -1.893 29 HE3 LYS 4 2HE LYS 4 -2.210 -8.589 -0.282 30 HZ1 LYS 4 3HZ LYS 4 -3.802 -6.851 -0.877 31 HZ2 LYS 4 1HZ LYS 4 -4.491 -8.388 -1.019 32 HZ3 LYS 4 2HZ LYS 4 -4.011 -7.543 -2.398 33 H ILE 5 H ILE 5 1.916 -4.424 2.108 34 HA ILE 5 HA ILE 5 2.298 -2.313 0.062 35 HB ILE 5 HB ILE 5 3.885 -2.861 2.623 36 HG12 ILE 5 1HG1 ILE 5 2.030 -0.565 1.909 37 HG13 ILE 5 2HG1 ILE 5 1.657 -1.864 3.033 38 HG21 ILE 5 1HG2 ILE 5 5.374 -1.977 0.857 39 HG22 ILE 5 2HG2 ILE 5 5.140 -0.786 2.134 40 HG23 ILE 5 3HG2 ILE 5 4.280 -0.613 0.602 41 HD11 ILE 5 3HD1 ILE 5 3.779 0.261 3.366 42 HD12 ILE 5 1HD1 ILE 5 3.490 -1.072 4.490 43 HD13 ILE 5 2HD1 ILE 5 2.243 0.144 4.222 44 H TYR 6 H TYR 6 3.579 -2.844 -1.588 45 HA TYR 6 HA TYR 6 5.937 -4.512 -1.203 46 HD1 TYR 6 HD1 TYR 6 1.941 -5.281 -1.910 47 HD2 TYR 6 HD2 TYR 6 4.497 -5.158 -5.338 48 HE1 TYR 6 HE1 TYR 6 -0.006 -4.874 -3.349 49 HE2 TYR 6 HE2 TYR 6 2.545 -4.754 -6.771 50 HH TYR 6 HH TYR 6 -0.631 -4.113 -5.441 51 HB2 TYR 6 1HB TYR 6 5.368 -5.934 -3.200 52 HB3 TYR 6 2HB TYR 6 4.295 -6.208 -1.839 53 H ARG 7 H ARG 7 7.026 -4.605 -3.515 54 HA ARG 7 HA ARG 7 6.625 -2.170 -5.082 55 HE ARG 7 HE ARG 7 11.205 0.108 -6.359 56 HB2 ARG 7 1HB ARG 7 8.286 -1.586 -3.329 57 HB3 ARG 7 2HB ARG 7 9.282 -2.948 -3.802 58 HG2 ARG 7 1HG ARG 7 9.718 -1.873 -5.990 59 HG3 ARG 7 2HG ARG 7 8.668 -0.536 -5.533 60 HD2 ARG 7 1HD ARG 7 10.174 -0.015 -3.627 61 HD3 ARG 7 2HD ARG 7 11.251 -1.318 -4.145 62 HH11 ARG 7 1HH1 ARG 7 11.527 1.302 -3.074 63 HH12 ARG 7 2HH1 ARG 7 12.410 2.710 -3.549 64 HH21 ARG 7 1HH2 ARG 7 12.352 1.938 -6.962 65 HH22 ARG 7 2HH2 ARG 7 12.884 3.071 -5.764 66 HA PRO 8 HA PRO 8 6.863 -6.096 -7.325 67 HB2 PRO 8 1HB PRO 8 5.269 -5.486 -9.409 68 HB3 PRO 8 2HB PRO 8 4.618 -5.611 -7.768 69 HG2 PRO 8 1HG PRO 8 5.363 -3.141 -9.327 70 HG3 PRO 8 2HG PRO 8 3.916 -3.443 -8.342 71 HD2 PRO 8 1HD PRO 8 6.138 -2.050 -7.448 72 HD3 PRO 8 2HD PRO 8 5.000 -2.894 -6.374 73 H ALA 9 H ALA 9 7.084 -6.614 -9.892 74 HA ALA 9 HA ALA 9 9.614 -5.553 -10.786 75 HB1 ALA 9 3HB ALA 9 9.340 -7.131 -12.671 76 HB2 ALA 9 1HB ALA 9 7.693 -7.480 -12.137 77 HB3 ALA 9 2HB ALA 9 9.066 -7.919 -11.114 78 H LYS 10 H LYS 10 6.311 -4.735 -11.256 79 HA LYS 10 HA LYS 10 6.912 -2.675 -13.235 80 HB2 LYS 10 1HB LYS 10 4.993 -3.469 -14.693 81 HB3 LYS 10 2HB LYS 10 6.396 -4.533 -14.689 82 HG2 LYS 10 1HG LYS 10 5.208 -5.970 -12.981 83 HG3 LYS 10 2HG LYS 10 3.773 -4.974 -13.223 84 HD2 LYS 10 1HD LYS 10 5.169 -6.672 -15.326 85 HD3 LYS 10 2HD LYS 10 3.637 -7.045 -14.532 86 HE2 LYS 10 1HE LYS 10 2.686 -4.942 -15.532 87 HE3 LYS 10 2HE LYS 10 4.191 -4.741 -16.433 88 HZ1 LYS 10 3HZ LYS 10 3.774 -6.916 -17.460 89 HZ2 LYS 10 1HZ LYS 10 2.539 -5.813 -17.788 90 HZ3 LYS 10 2HZ LYS 10 2.304 -7.026 -16.631 91 H THR 11 H THR 11 5.868 -0.854 -12.647 92 HA THR 11 HA THR 11 3.842 -0.970 -10.508 93 HB THR 11 HB THR 11 4.349 1.601 -10.430 94 HG1 THR 11 HG1 THR 11 6.362 2.178 -11.306 95 HG21 THR 11 3HG2 THR 11 5.096 0.032 -8.679 96 HG22 THR 11 1HG2 THR 11 6.320 1.261 -8.996 97 HG23 THR 11 2HG2 THR 11 6.523 -0.371 -9.637 98 H ALA 12 H ALA 12 4.392 0.728 -13.619 99 HA ALA 12 HA ALA 12 1.500 0.736 -14.149 100 HB1 ALA 12 3HB ALA 12 1.938 2.867 -12.981 101 HB2 ALA 12 1HB ALA 12 1.469 3.139 -14.661 102 HB3 ALA 12 2HB ALA 12 3.164 3.282 -14.183 103 H MET 13 H MET 13 1.508 -0.429 -15.965 104 HA MET 13 HA MET 13 3.686 -0.205 -17.926 105 HB2 MET 13 1HB MET 13 2.811 -2.340 -18.839 106 HB3 MET 13 2HB MET 13 3.195 -2.460 -17.131 107 HG2 MET 13 1HG MET 13 0.845 -2.379 -16.538 108 HG3 MET 13 2HG MET 13 0.392 -2.080 -18.220 109 HE1 MET 13 3HE MET 13 -0.812 -4.442 -16.322 110 HE2 MET 13 1HE MET 13 -0.891 -5.762 -17.486 111 HE3 MET 13 2HE MET 13 -1.371 -4.133 -17.969 112 H GLN 14 H GLN 14 0.246 0.422 -17.627 113 HA GLN 14 HA GLN 14 -0.073 0.797 -20.549 114 HB2 GLN 14 1HB GLN 14 -1.631 -0.713 -18.940 115 HB3 GLN 14 2HB GLN 14 -2.424 0.821 -18.632 116 HG2 GLN 14 1HG GLN 14 -2.129 -0.545 -21.326 117 HG3 GLN 14 2HG GLN 14 -3.591 -0.477 -20.347 118 HE21 GLN 14 2HE2 GLN 14 -4.771 1.486 -20.261 119 HE22 GLN 14 1HE2 GLN 14 -4.534 2.734 -21.431 120 H SER 15 H SER 15 -0.372 2.782 -21.367 121 HA SER 15 HA SER 15 -0.726 4.966 -21.683 122 HG SER 15 HG SER 15 -2.377 6.742 -21.202 123 HB2 SER 15 1HB SER 15 -2.936 4.560 -20.669 124 HB3 SER 15 2HB SER 15 -2.271 4.861 -19.066 125 H GLY 16 H GLY 16 -0.509 5.228 -18.124 126 HA2 GLY 16 1HA GLY 16 1.654 7.165 -18.276 127 HA3 GLY 16 2HA GLY 16 0.850 6.574 -16.827 128 H THR 17 H THR 17 3.174 5.668 -19.327 129 HA THR 17 HA THR 17 4.131 3.300 -18.020 130 HB THR 17 HB THR 17 5.898 3.365 -19.843 131 HG1 THR 17 HG1 THR 17 5.690 5.803 -19.964 132 HG21 THR 17 3HG2 THR 17 3.743 2.212 -20.261 133 HG22 THR 17 1HG2 THR 17 4.339 2.992 -21.729 134 HG23 THR 17 2HG2 THR 17 3.032 3.734 -20.807 135 H ALA 18 H ALA 18 4.727 3.988 -15.947 136 HA ALA 18 HA ALA 18 6.653 6.085 -15.481 137 HB1 ALA 18 3HB ALA 18 6.449 5.456 -13.118 138 HB2 ALA 18 1HB ALA 18 5.539 4.007 -13.556 139 HB3 ALA 18 2HB ALA 18 4.855 5.607 -13.857 140 H LYS 19 H LYS 19 8.818 5.894 -15.440 141 HA LYS 19 HA LYS 19 10.175 3.333 -15.753 142 HB2 LYS 19 1HB LYS 19 11.240 6.182 -15.527 143 HB3 LYS 19 2HB LYS 19 12.244 4.769 -15.839 144 HG2 LYS 19 1HG LYS 19 10.050 5.837 -17.648 145 HG3 LYS 19 2HG LYS 19 11.791 6.015 -17.899 146 HD2 LYS 19 1HD LYS 19 11.971 3.517 -18.041 147 HD3 LYS 19 2HD LYS 19 10.214 3.413 -17.914 148 HE2 LYS 19 1HE LYS 19 10.019 4.749 -20.012 149 HE3 LYS 19 2HE LYS 19 11.782 4.750 -20.149 150 HZ1 LYS 19 3HZ LYS 19 11.698 2.313 -20.234 151 HZ2 LYS 19 1HZ LYS 19 10.838 3.031 -21.501 152 HZ3 LYS 19 2HZ LYS 19 10.010 2.373 -20.186 153 H THR 20 H THR 20 9.529 5.657 -13.230 154 HA THR 20 HA THR 20 11.343 4.574 -11.269 155 HB THR 20 HB THR 20 9.970 6.038 -9.664 156 HG1 THR 20 HG1 THR 20 8.310 7.170 -10.425 157 HG21 THR 20 3HG2 THR 20 10.868 8.175 -10.504 158 HG22 THR 20 1HG2 THR 20 11.149 7.447 -12.088 159 HG23 THR 20 2HG2 THR 20 12.061 6.885 -10.685 160 H ASN 21 H ASN 21 10.912 2.399 -11.095 161 HA ASN 21 HA ASN 21 8.315 1.362 -10.387 162 HB2 ASN 21 1HB ASN 21 10.045 -0.061 -11.535 163 HB3 ASN 21 2HB ASN 21 11.033 0.008 -10.079 164 HD21 ASN 21 2HD2 ASN 21 10.307 -1.061 -8.197 165 HD22 ASN 21 1HD2 ASN 21 9.114 -2.304 -8.259 166 H VAL 22 H VAL 22 7.632 2.481 -8.675 167 HA VAL 22 HA VAL 22 9.185 2.672 -6.180 168 HB VAL 22 HB VAL 22 7.420 4.327 -5.522 169 HG11 VAL 22 1HG1 VAL 22 9.465 5.129 -6.599 170 HG12 VAL 22 2HG1 VAL 22 8.093 6.122 -7.093 171 HG13 VAL 22 3HG1 VAL 22 8.745 4.903 -8.195 172 HG21 VAL 22 3HG2 VAL 22 5.777 5.136 -7.203 173 HG22 VAL 22 1HG2 VAL 22 5.515 3.435 -6.810 174 HG23 VAL 22 2HG2 VAL 22 6.304 3.878 -8.326 175 H TRP 23 H TRP 23 6.977 2.881 -4.397 176 HA TRP 23 HA TRP 23 6.482 0.022 -4.008 177 HD1 TRP 23 HD1 TRP 23 8.923 2.781 -2.592 178 HE1 TRP 23 HE1 TRP 23 10.930 1.652 -1.462 179 HE3 TRP 23 HE3 TRP 23 6.578 -1.371 -0.736 180 HZ2 TRP 23 HZ2 TRP 23 11.471 -0.714 -0.014 181 HZ3 TRP 23 HZ3 TRP 23 7.912 -3.031 0.500 182 HH2 TRP 23 HH2 TRP 23 10.313 -2.708 0.853 183 HB2 TRP 23 1HB TRP 23 6.216 2.402 -2.117 184 HB3 TRP 23 2HB TRP 23 5.742 0.760 -1.691 185 H VAL 24 H VAL 24 4.487 -0.811 -4.154 186 HA VAL 24 HA VAL 24 2.197 0.972 -4.668 187 HB VAL 24 HB VAL 24 2.441 -2.048 -5.097 188 HG11 VAL 24 1HG1 VAL 24 0.150 -0.173 -5.826 189 HG12 VAL 24 2HG1 VAL 24 0.105 -1.428 -4.585 190 HG13 VAL 24 3HG1 VAL 24 0.262 -1.876 -6.284 191 HG21 VAL 24 3HG2 VAL 24 2.425 -1.512 -7.513 192 HG22 VAL 24 1HG2 VAL 24 3.811 -0.773 -6.708 193 HG23 VAL 24 2HG2 VAL 24 2.410 0.212 -7.141 194 H LEU 25 H LEU 25 0.511 1.064 -3.281 195 HA LEU 25 HA LEU 25 0.426 -0.645 -0.865 196 HG LEU 25 HG LEU 25 -0.500 2.365 1.317 197 HB2 LEU 25 1HB LEU 25 0.964 1.735 -0.385 198 HB3 LEU 25 2HB LEU 25 -0.448 2.268 -1.264 199 HD11 LEU 25 1HD1 LEU 25 -2.854 1.875 1.498 200 HD12 LEU 25 2HD1 LEU 25 -2.814 0.957 -0.011 201 HD13 LEU 25 3HD1 LEU 25 -2.506 2.696 -0.024 202 HD21 LEU 25 3HD2 LEU 25 -1.148 0.355 2.526 203 HD22 LEU 25 1HD2 LEU 25 0.428 0.162 1.770 204 HD23 LEU 25 2HD2 LEU 25 -0.985 -0.611 1.055 205 H GLU 26 H GLU 26 -0.974 -2.120 -1.357 206 HA GLU 26 HA GLU 26 -3.402 -1.496 -2.953 207 HB2 GLU 26 1HB GLU 26 -1.857 -3.186 -3.946 208 HB3 GLU 26 2HB GLU 26 -1.993 -4.169 -2.496 209 HG2 GLU 26 1HG GLU 26 -4.445 -4.408 -2.949 210 HG3 GLU 26 2HG GLU 26 -4.210 -3.523 -4.457 211 H PHE 27 H PHE 27 -5.337 -1.708 -1.905 212 HA PHE 27 HA PHE 27 -5.565 -3.413 0.487 213 HD1 PHE 27 HD1 PHE 27 -4.614 0.526 -0.417 214 HD2 PHE 27 HD2 PHE 27 -8.668 -0.270 0.705 215 HE1 PHE 27 HE1 PHE 27 -5.309 2.657 -1.416 216 HE2 PHE 27 HE2 PHE 27 -9.349 1.861 -0.313 217 HZ PHE 27 HZ PHE 27 -7.674 3.328 -1.364 218 HB2 PHE 27 1HB PHE 27 -6.880 -1.611 1.646 219 HB3 PHE 27 2HB PHE 27 -5.199 -1.173 1.388 220 H ASP 28 H ASP 28 -7.613 -4.304 0.789 221 HA ASP 28 HA ASP 28 -9.377 -4.547 -1.411 222 HB2 ASP 28 1HB ASP 28 -9.892 -5.151 1.536 223 HB3 ASP 28 2HB ASP 28 -10.878 -5.719 0.189 224 H ALA 29 H ALA 29 -10.409 -2.826 -2.166 225 HA ALA 29 HA ALA 29 -11.141 -0.503 -0.752 226 HB1 ALA 29 3HB ALA 29 -12.435 0.095 -2.764 227 HB2 ALA 29 1HB ALA 29 -12.264 -1.555 -3.375 228 HB3 ALA 29 2HB ALA 29 -10.843 -0.527 -3.197 229 H GLU 30 H GLU 30 -12.706 -0.288 0.688 230 HA GLU 30 HA GLU 30 -14.719 -2.340 1.139 231 HB2 GLU 30 1HB GLU 30 -15.187 -1.046 3.233 232 HB3 GLU 30 2HB GLU 30 -13.503 -1.534 3.081 233 HG2 GLU 30 1HG GLU 30 -12.889 0.738 2.383 234 HG3 GLU 30 2HG GLU 30 -14.578 1.240 2.466 235 H VAL 31 H VAL 31 -15.075 -0.928 -1.250 236 HA VAL 31 HA VAL 31 -16.940 1.123 -1.294 237 HB VAL 31 HB VAL 31 -15.861 0.504 -3.359 238 HG11 VAL 31 1HG1 VAL 31 -17.127 -2.249 -3.183 239 HG12 VAL 31 2HG1 VAL 31 -15.424 -1.876 -2.919 240 HG13 VAL 31 3HG1 VAL 31 -16.136 -1.655 -4.520 241 HG21 VAL 31 3HG2 VAL 31 -18.788 -0.275 -3.645 242 HG22 VAL 31 1HG2 VAL 31 -17.729 0.260 -4.954 243 HG23 VAL 31 2HG2 VAL 31 -18.159 1.372 -3.653 244 HA PRO 32 HA PRO 32 -20.427 -0.807 0.739 245 HB2 PRO 32 1HB PRO 32 -22.431 0.929 0.075 246 HB3 PRO 32 2HB PRO 32 -21.132 1.379 1.192 247 HG2 PRO 32 1HG PRO 32 -21.339 1.912 -1.778 248 HG3 PRO 32 2HG PRO 32 -20.994 3.065 -0.466 249 HD2 PRO 32 1HD PRO 32 -18.981 2.025 -1.904 250 HD3 PRO 32 2HD PRO 32 -18.800 2.245 -0.147 251 H ARG 33 H ARG 33 -23.029 -0.974 0.003 252 HA ARG 33 HA ARG 33 -23.188 -3.047 -1.924 253 HE ARG 33 HE ARG 33 -25.299 -3.608 2.880 254 HB2 ARG 33 1HB ARG 33 -25.447 -1.286 -0.885 255 HB3 ARG 33 2HB ARG 33 -25.617 -2.878 -1.626 256 HG2 ARG 33 1HG ARG 33 -24.379 -3.877 0.282 257 HG3 ARG 33 2HG ARG 33 -24.266 -2.281 1.031 258 HD2 ARG 33 1HD ARG 33 -26.749 -2.185 1.153 259 HD3 ARG 33 2HD ARG 33 -26.836 -3.785 0.411 260 HH11 ARG 33 1HH1 ARG 33 -28.402 -4.415 1.417 261 HH12 ARG 33 2HH1 ARG 33 -28.960 -5.288 2.809 262 HH21 ARG 33 1HH2 ARG 33 -26.039 -4.746 4.681 263 HH22 ARG 33 2HH2 ARG 33 -27.606 -5.484 4.664 264 H LYS 34 H LYS 34 -23.505 0.430 -2.123 265 HA LYS 34 HA LYS 34 -24.249 0.477 -4.933 266 HB2 LYS 34 1HB LYS 34 -23.169 2.785 -3.234 267 HB3 LYS 34 2HB LYS 34 -23.917 2.912 -4.819 268 HG2 LYS 34 1HG LYS 34 -25.607 3.626 -3.375 269 HG3 LYS 34 2HG LYS 34 -26.041 1.945 -3.689 270 HD2 LYS 34 1HD LYS 34 -25.154 1.252 -1.532 271 HD3 LYS 34 2HD LYS 34 -24.496 2.861 -1.229 272 HE2 LYS 34 1HE LYS 34 -26.526 2.565 0.068 273 HE3 LYS 34 2HE LYS 34 -26.827 3.763 -1.192 274 HZ1 LYS 34 3HZ LYS 34 -28.644 2.191 -0.968 275 HZ2 LYS 34 1HZ LYS 34 -27.605 0.905 -1.309 276 HZ3 LYS 34 2HZ LYS 34 -27.927 2.066 -2.492 277 H ILE 35 H ILE 35 -22.612 -0.841 -5.779 278 HA ILE 35 HA ILE 35 -19.812 -0.337 -5.539 279 HB ILE 35 HB ILE 35 -21.330 -1.851 -7.716 280 HG12 ILE 35 1HG1 ILE 35 -21.705 -2.769 -5.419 281 HG13 ILE 35 2HG1 ILE 35 -20.837 -3.900 -6.447 282 HG21 ILE 35 1HG2 ILE 35 -19.097 -1.268 -8.523 283 HG22 ILE 35 2HG2 ILE 35 -19.172 -3.001 -8.195 284 HG23 ILE 35 3HG2 ILE 35 -18.361 -1.920 -7.057 285 HD11 ILE 35 3HD1 ILE 35 -19.973 -3.870 -4.181 286 HD12 ILE 35 1HD1 ILE 35 -19.604 -2.151 -4.321 287 HD13 ILE 35 2HD1 ILE 35 -18.752 -3.325 -5.331 288 H ASP 36 H ASP 36 -18.436 0.843 -6.889 289 HA ASP 36 HA ASP 36 -19.190 3.343 -7.707 290 HB2 ASP 36 1HB ASP 36 -16.855 1.707 -8.797 291 HB3 ASP 36 2HB ASP 36 -17.031 3.448 -8.993 292 HA PRO 37 HA PRO 37 -21.744 3.064 -11.352 293 HB2 PRO 37 1HB PRO 37 -20.111 5.397 -12.379 294 HB3 PRO 37 2HB PRO 37 -21.869 5.211 -12.302 295 HG2 PRO 37 1HG PRO 37 -20.569 6.705 -10.516 296 HG3 PRO 37 2HG PRO 37 -21.957 5.711 -10.031 297 HD2 PRO 37 1HD PRO 37 -19.044 5.278 -9.511 298 HD3 PRO 37 2HD PRO 37 -20.445 4.809 -8.532 299 H ILE 38 H ILE 38 -18.388 3.871 -12.109 300 HA ILE 38 HA ILE 38 -18.041 2.991 -14.689 301 HB ILE 38 HB ILE 38 -16.066 2.759 -12.373 302 HG12 ILE 38 1HG1 ILE 38 -16.345 4.941 -14.485 303 HG13 ILE 38 2HG1 ILE 38 -16.905 5.071 -12.821 304 HG21 ILE 38 1HG2 ILE 38 -15.441 2.622 -15.346 305 HG22 ILE 38 2HG2 ILE 38 -15.297 1.299 -14.185 306 HG23 ILE 38 3HG2 ILE 38 -14.245 2.706 -14.048 307 HD11 ILE 38 3HD1 ILE 38 -14.819 6.257 -13.150 308 HD12 ILE 38 1HD1 ILE 38 -14.030 4.779 -13.704 309 HD13 ILE 38 2HD1 ILE 38 -14.594 4.911 -12.035 310 H MET 39 H MET 39 -17.933 0.983 -11.760 311 HA MET 39 HA MET 39 -17.750 -1.508 -13.392 312 HB2 MET 39 1HB MET 39 -16.553 -2.499 -11.433 313 HB3 MET 39 2HB MET 39 -15.687 -1.134 -12.124 314 HG2 MET 39 1HG MET 39 -16.340 0.299 -10.325 315 HG3 MET 39 2HG MET 39 -17.455 -0.901 -9.681 316 HE1 MET 39 3HE MET 39 -15.007 -3.631 -8.278 317 HE2 MET 39 1HE MET 39 -15.799 -3.616 -9.851 318 HE3 MET 39 2HE MET 39 -16.689 -3.122 -8.413 319 H GLY 40 H GLY 40 -20.146 0.053 -12.336 320 HA2 GLY 40 1HA GLY 40 -21.632 -2.170 -11.203 321 HA3 GLY 40 2HA GLY 40 -21.346 -0.843 -10.083 322 H TYR 41 H TYR 41 -22.096 -0.876 -13.565 323 HA TYR 41 HA TYR 41 -24.230 1.038 -13.365 324 HD1 TYR 41 HD1 TYR 41 -23.844 2.860 -15.292 325 HD2 TYR 41 HD2 TYR 41 -21.237 -0.402 -16.222 326 HE1 TYR 41 HE1 TYR 41 -22.093 4.451 -15.967 327 HE2 TYR 41 HE2 TYR 41 -19.491 1.191 -16.893 328 HH TYR 41 HH TYR 41 -19.276 3.487 -17.655 329 HB2 TYR 41 1HB TYR 41 -23.485 -0.874 -15.632 330 HB3 TYR 41 2HB TYR 41 -24.688 0.403 -15.768 331 H THR 42 H THR 42 -24.019 -2.479 -13.498 332 HA THR 42 HA THR 42 -26.862 -2.961 -13.688 333 HB THR 42 HB THR 42 -26.154 -5.384 -13.310 334 HG1 THR 42 HG1 THR 42 -24.093 -5.848 -12.921 335 HG21 THR 42 3HG2 THR 42 -26.351 -4.486 -15.609 336 HG22 THR 42 1HG2 THR 42 -25.026 -5.652 -15.489 337 HG23 THR 42 2HG2 THR 42 -24.679 -3.923 -15.537 338 H SER 43 H SER 43 -28.035 -4.268 -12.079 339 HA SER 43 HA SER 43 -27.816 -3.301 -9.385 340 HG SER 43 HG SER 43 -29.758 -3.174 -11.257 341 HB2 SER 43 1HB SER 43 -29.565 -5.526 -10.542 342 HB3 SER 43 2HB SER 43 -29.767 -4.794 -8.946 343 H SER 44 H SER 44 -27.551 -6.583 -10.816 344 HA SER 44 HA SER 44 -25.962 -7.623 -8.619 345 HG SER 44 HG SER 44 -28.222 -9.821 -10.494 346 HB2 SER 44 1HB SER 44 -26.508 -8.842 -11.367 347 HB3 SER 44 2HB SER 44 -25.843 -9.685 -9.967 348 H SER 45 H SER 45 -24.349 -5.966 -8.678 349 HA SER 45 HA SER 45 -22.597 -5.697 -11.010 350 HG SER 45 HG SER 45 -23.425 -3.220 -7.969 351 HB2 SER 45 1HB SER 45 -21.641 -3.784 -9.605 352 HB3 SER 45 2HB SER 45 -23.341 -3.615 -10.051 353 H ASP 46 H ASP 46 -20.189 -5.216 -10.190 354 HA ASP 46 HA ASP 46 -19.111 -7.748 -9.434 355 HB2 ASP 46 1HB ASP 46 -18.055 -6.109 -11.054 356 HB3 ASP 46 2HB ASP 46 -17.664 -5.074 -9.686 357 H MET 47 H MET 47 -17.498 -8.036 -7.676 358 HA MET 47 HA MET 47 -18.657 -7.422 -5.124 359 HB2 MET 47 1HB MET 47 -16.974 -8.900 -4.214 360 HB3 MET 47 2HB MET 47 -17.437 -9.583 -5.767 361 HG2 MET 47 1HG MET 47 -15.433 -8.515 -6.774 362 HG3 MET 47 2HG MET 47 -14.942 -7.982 -5.175 363 HE1 MET 47 3HE MET 47 -12.965 -9.725 -7.031 364 HE2 MET 47 1HE MET 47 -12.326 -10.829 -5.817 365 HE3 MET 47 2HE MET 47 -12.576 -9.127 -5.418 366 H LYS 48 H LYS 48 -16.721 -6.995 -3.350 367 HA LYS 48 HA LYS 48 -15.758 -4.286 -3.763 368 HB2 LYS 48 1HB LYS 48 -15.571 -6.186 -1.372 369 HB3 LYS 48 2HB LYS 48 -14.936 -4.544 -1.374 370 HG2 LYS 48 1HG LYS 48 -17.057 -4.597 -0.216 371 HG3 LYS 48 2HG LYS 48 -17.228 -3.663 -1.702 372 HD2 LYS 48 1HD LYS 48 -18.254 -5.719 -2.777 373 HD3 LYS 48 2HD LYS 48 -18.199 -6.503 -1.192 374 HE2 LYS 48 1HE LYS 48 -19.728 -3.955 -1.851 375 HE3 LYS 48 2HE LYS 48 -20.436 -5.558 -1.645 376 HZ1 LYS 48 3HZ LYS 48 -19.705 -5.564 0.648 377 HZ2 LYS 48 1HZ LYS 48 -20.664 -4.200 0.340 378 HZ3 LYS 48 2HZ LYS 48 -18.987 -4.044 0.457 379 H GLN 49 H GLN 49 -14.261 -4.498 -5.356 380 HA GLN 49 HA GLN 49 -12.145 -6.395 -5.471 381 HB2 GLN 49 1HB GLN 49 -11.219 -4.937 -7.256 382 HB3 GLN 49 2HB GLN 49 -12.937 -5.233 -7.494 383 HG2 GLN 49 1HG GLN 49 -13.520 -3.022 -6.782 384 HG3 GLN 49 2HG GLN 49 -11.895 -2.721 -6.163 385 HE21 GLN 49 2HE2 GLN 49 -11.827 -0.810 -7.442 386 HE22 GLN 49 1HE2 GLN 49 -11.510 -0.876 -9.137 387 H GLN 50 H GLN 50 -9.814 -5.853 -5.351 388 HA GLN 50 HA GLN 50 -9.111 -3.898 -3.284 389 HB2 GLN 50 1HB GLN 50 -6.725 -4.777 -3.701 390 HB3 GLN 50 2HB GLN 50 -7.881 -5.886 -2.993 391 HG2 GLN 50 1HG GLN 50 -6.605 -7.159 -4.532 392 HG3 GLN 50 2HG GLN 50 -8.177 -6.915 -5.282 393 HE21 GLN 50 2HE2 GLN 50 -7.289 -7.388 -7.334 394 HE22 GLN 50 1HE2 GLN 50 -6.287 -6.268 -8.183 395 H VAL 51 H VAL 51 -8.475 -1.790 -3.750 396 HA VAL 51 HA VAL 51 -7.474 -1.199 -6.447 397 HB VAL 51 HB VAL 51 -8.002 1.157 -5.977 398 HG11 VAL 51 1HG1 VAL 51 -9.768 -0.195 -7.019 399 HG12 VAL 51 2HG1 VAL 51 -10.479 1.027 -5.962 400 HG13 VAL 51 3HG1 VAL 51 -10.386 -0.654 -5.429 401 HG21 VAL 51 3HG2 VAL 51 -9.263 1.832 -3.933 402 HG22 VAL 51 1HG2 VAL 51 -7.642 1.241 -3.559 403 HG23 VAL 51 2HG2 VAL 51 -9.043 0.207 -3.279 404 H LYS 52 H LYS 52 -5.775 0.680 -6.336 405 HA LYS 52 HA LYS 52 -3.891 0.257 -4.138 406 HB2 LYS 52 1HB LYS 52 -2.059 -0.471 -5.653 407 HB3 LYS 52 2HB LYS 52 -3.371 -1.637 -5.525 408 HG2 LYS 52 1HG LYS 52 -4.264 -0.813 -7.705 409 HG3 LYS 52 2HG LYS 52 -2.857 0.252 -7.839 410 HD2 LYS 52 1HD LYS 52 -1.349 -1.653 -7.908 411 HD3 LYS 52 2HD LYS 52 -2.670 -2.774 -7.562 412 HE2 LYS 52 1HE LYS 52 -3.705 -2.215 -9.741 413 HE3 LYS 52 2HE LYS 52 -2.382 -1.096 -10.081 414 HZ1 LYS 52 3HZ LYS 52 -2.045 -3.225 -11.153 415 HZ2 LYS 52 1HZ LYS 52 -2.122 -4.022 -9.665 416 HZ3 LYS 52 2HZ LYS 52 -0.845 -2.960 -9.987 417 H LEU 53 H LEU 53 -2.064 1.555 -4.183 418 HA LEU 53 HA LEU 53 -2.230 4.117 -5.673 419 HG LEU 53 HG LEU 53 -3.941 3.492 -3.032 420 HB2 LEU 53 1HB LEU 53 -1.432 3.752 -2.750 421 HB3 LEU 53 2HB LEU 53 -1.541 5.278 -3.619 422 HD11 LEU 53 1HD1 LEU 53 -4.512 5.073 -1.256 423 HD12 LEU 53 2HD1 LEU 53 -2.996 5.943 -1.522 424 HD13 LEU 53 3HD1 LEU 53 -2.973 4.273 -0.941 425 HD21 LEU 53 3HD2 LEU 53 -5.284 5.463 -3.594 426 HD22 LEU 53 1HD2 LEU 53 -4.275 4.990 -4.960 427 HD23 LEU 53 2HD2 LEU 53 -3.823 6.382 -3.970 428 H THR 54 H THR 54 -0.063 5.148 -5.907 429 HA THR 54 HA THR 54 2.254 3.367 -5.393 430 HB THR 54 HB THR 54 3.376 4.730 -7.295 431 HG1 THR 54 HG1 THR 54 0.641 5.376 -7.752 432 HG21 THR 54 3HG2 THR 54 1.080 2.880 -8.043 433 HG22 THR 54 1HG2 THR 54 2.718 2.369 -7.614 434 HG23 THR 54 2HG2 THR 54 2.439 3.306 -9.085 435 H PHE 55 H PHE 55 3.745 4.134 -4.100 436 HA PHE 55 HA PHE 55 4.018 6.998 -3.434 437 HD1 PHE 55 HD1 PHE 55 2.819 7.959 -0.807 438 HD2 PHE 55 HD2 PHE 55 1.867 3.888 -1.686 439 HE1 PHE 55 HE1 PHE 55 0.502 8.338 -0.076 440 HE2 PHE 55 HE2 PHE 55 -0.448 4.283 -0.958 441 HZ PHE 55 HZ PHE 55 -1.130 6.502 -0.154 442 HB2 PHE 55 1HB PHE 55 4.202 4.609 -1.523 443 HB3 PHE 55 2HB PHE 55 4.599 6.269 -1.102 444 H GLU 56 H GLU 56 6.199 7.626 -3.017 445 HA GLU 56 HA GLU 56 8.134 6.357 -4.684 446 HB2 GLU 56 1HB GLU 56 8.638 8.518 -2.596 447 HB3 GLU 56 2HB GLU 56 9.630 8.166 -4.009 448 HG2 GLU 56 1HG GLU 56 7.989 9.035 -5.503 449 HG3 GLU 56 2HG GLU 56 6.755 9.085 -4.243 450 H THR 57 H THR 57 7.468 6.244 -1.260 451 HA THR 57 HA THR 57 9.665 4.326 -0.774 452 HB THR 57 HB THR 57 9.969 5.334 1.521 453 HG1 THR 57 HG1 THR 57 9.110 7.467 1.846 454 HG21 THR 57 3HG2 THR 57 11.295 7.294 0.831 455 HG22 THR 57 1HG2 THR 57 10.506 7.293 -0.747 456 HG23 THR 57 2HG2 THR 57 11.554 5.948 -0.281 457 H GLN 58 H GLN 58 9.247 2.855 0.989 458 HA GLN 58 HA GLN 58 6.659 1.890 1.397 459 HB2 GLN 58 1HB GLN 58 8.614 0.503 1.856 460 HB3 GLN 58 2HB GLN 58 9.157 1.604 3.119 461 HG2 GLN 58 1HG GLN 58 6.974 1.024 4.352 462 HG3 GLN 58 2HG GLN 58 6.777 -0.276 3.178 463 HE21 GLN 58 2HE2 GLN 58 7.232 -0.238 6.126 464 HE22 GLN 58 1HE2 GLN 58 8.576 -1.300 6.380 465 H GLU 59 H GLU 59 8.618 4.153 3.314 466 HA GLU 59 HA GLU 59 7.182 4.568 5.590 467 HB2 GLU 59 1HB GLU 59 8.693 6.575 3.881 468 HB3 GLU 59 2HB GLU 59 8.041 6.990 5.464 469 HG2 GLU 59 1HG GLU 59 9.446 5.282 6.511 470 HG3 GLU 59 2HG GLU 59 10.079 4.812 4.934 471 H GLN 60 H GLN 60 6.545 6.123 2.442 472 HA GLN 60 HA GLN 60 4.432 7.818 3.391 473 HB2 GLN 60 1HB GLN 60 5.244 7.000 0.572 474 HB3 GLN 60 2HB GLN 60 4.007 8.206 0.927 475 HG2 GLN 60 1HG GLN 60 5.694 9.602 2.067 476 HG3 GLN 60 2HG GLN 60 6.931 8.397 1.719 477 HE21 GLN 60 2HE2 GLN 60 7.702 8.197 -0.407 478 HE22 GLN 60 1HE2 GLN 60 7.395 9.412 -1.603 479 H ALA 61 H ALA 61 4.518 4.491 2.106 480 HA ALA 61 HA ALA 61 1.717 4.310 1.501 481 HB1 ALA 61 3HB ALA 61 2.253 1.929 1.082 482 HB2 ALA 61 1HB ALA 61 3.865 2.166 1.767 483 HB3 ALA 61 2HB ALA 61 3.406 2.994 0.277 484 H GLU 62 H GLU 62 3.843 3.148 4.090 485 HA GLU 62 HA GLU 62 1.848 1.843 5.616 486 HB2 GLU 62 1HB GLU 62 3.520 1.702 7.415 487 HB3 GLU 62 2HB GLU 62 4.215 1.264 5.860 488 HG2 GLU 62 1HG GLU 62 5.261 3.487 5.710 489 HG3 GLU 62 2HG GLU 62 4.580 3.918 7.275 490 H ALA 63 H ALA 63 3.295 5.101 5.893 491 HA ALA 63 HA ALA 63 1.886 6.011 8.123 492 HB1 ALA 63 3HB ALA 63 3.805 7.211 7.148 493 HB2 ALA 63 1HB ALA 63 2.413 8.282 7.326 494 HB3 ALA 63 2HB ALA 63 2.836 7.634 5.736 495 H TYR 64 H TYR 64 0.894 5.795 4.736 496 HA TYR 64 HA TYR 64 -1.505 7.298 4.868 497 HD1 TYR 64 HD1 TYR 64 -3.103 4.075 2.816 498 HD2 TYR 64 HD2 TYR 64 -2.233 8.171 1.948 499 HE1 TYR 64 HE1 TYR 64 -5.293 4.312 1.734 500 HE2 TYR 64 HE2 TYR 64 -4.423 8.402 0.865 501 HH TYR 64 HH TYR 64 -6.112 6.957 -0.222 502 HB2 TYR 64 1HB TYR 64 -0.442 6.668 2.712 503 HB3 TYR 64 2HB TYR 64 -0.767 4.969 3.027 504 H ALA 65 H ALA 65 -0.980 3.764 4.892 505 HA ALA 65 HA ALA 65 -3.555 2.894 5.376 506 HB1 ALA 65 3HB ALA 65 -2.529 0.749 6.021 507 HB2 ALA 65 1HB ALA 65 -0.960 1.543 6.192 508 HB3 ALA 65 2HB ALA 65 -1.727 1.434 4.606 509 H GLN 66 H GLN 66 -0.980 3.432 7.798 510 HA GLN 66 HA GLN 66 -2.361 2.704 10.124 511 HB2 GLN 66 1HB GLN 66 -0.059 4.658 9.750 512 HB3 GLN 66 2HB GLN 66 -0.647 4.149 11.331 513 HG2 GLN 66 1HG GLN 66 -0.008 1.849 10.880 514 HG3 GLN 66 2HG GLN 66 0.466 2.265 9.235 515 HE21 GLN 66 2HE2 GLN 66 2.396 3.449 8.907 516 HE22 GLN 66 1HE2 GLN 66 3.610 3.573 10.127 517 H ARG 67 H ARG 67 -2.063 5.872 8.536 518 HA ARG 67 HA ARG 67 -3.418 7.481 10.407 519 HE ARG 67 HE ARG 67 -1.282 10.619 8.785 520 HB2 ARG 67 1HB ARG 67 -1.957 8.291 8.541 521 HB3 ARG 67 2HB ARG 67 -3.186 7.813 7.378 522 HG2 ARG 67 1HG ARG 67 -4.715 9.517 8.240 523 HG3 ARG 67 2HG ARG 67 -3.567 9.936 9.517 524 HD2 ARG 67 1HD ARG 67 -3.119 10.276 6.526 525 HD3 ARG 67 2HD ARG 67 -3.455 11.567 7.684 526 HH11 ARG 67 1HH1 ARG 67 -1.791 11.106 5.339 527 HH12 ARG 67 2HH1 ARG 67 -0.105 11.344 5.013 528 HH21 ARG 67 1HH2 ARG 67 0.915 10.925 8.330 529 HH22 ARG 67 2HH2 ARG 67 1.420 11.260 6.704 530 H LYS 68 H LYS 68 -4.584 5.359 7.836 531 HA LYS 68 HA LYS 68 -7.380 6.186 8.115 532 HB2 LYS 68 1HB LYS 68 -6.137 3.947 6.451 533 HB3 LYS 68 2HB LYS 68 -7.817 4.467 6.376 534 HG2 LYS 68 1HG LYS 68 -5.392 6.102 5.555 535 HG3 LYS 68 2HG LYS 68 -6.561 5.332 4.477 536 HD2 LYS 68 1HD LYS 68 -8.351 6.809 5.468 537 HD3 LYS 68 2HD LYS 68 -7.096 7.636 6.400 538 HE2 LYS 68 1HE LYS 68 -7.594 8.948 4.422 539 HE3 LYS 68 2HE LYS 68 -5.983 8.253 4.228 540 HZ1 LYS 68 3HZ LYS 68 -6.956 6.515 2.844 541 HZ2 LYS 68 1HZ LYS 68 -7.269 8.050 2.205 542 HZ3 LYS 68 2HZ LYS 68 -8.485 7.206 3.018 543 H GLY 69 H GLY 69 -5.202 3.911 9.542 544 HA2 GLY 69 1HA GLY 69 -5.652 2.537 11.371 545 HA3 GLY 69 2HA GLY 69 -7.366 2.527 10.980 546 H ILE 70 H ILE 70 -5.896 2.049 8.143 547 HA ILE 70 HA ILE 70 -6.602 -0.704 7.929 548 HB ILE 70 HB ILE 70 -4.762 0.785 5.997 549 HG12 ILE 70 1HG1 ILE 70 -7.815 0.566 5.910 550 HG13 ILE 70 2HG1 ILE 70 -6.926 2.014 6.368 551 HG21 ILE 70 1HG2 ILE 70 -5.594 -0.846 4.319 552 HG22 ILE 70 2HG2 ILE 70 -6.529 -1.661 5.575 553 HG23 ILE 70 3HG2 ILE 70 -4.766 -1.652 5.654 554 HD11 ILE 70 3HD1 ILE 70 -6.895 0.698 3.647 555 HD12 ILE 70 1HD1 ILE 70 -5.978 2.139 4.100 556 HD13 ILE 70 2HD1 ILE 70 -7.740 2.179 4.093 557 H GLU 71 H GLU 71 -5.629 -2.208 9.050 558 HA GLU 71 HA GLU 71 -2.872 -2.385 9.779 559 HB2 GLU 71 1HB GLU 71 -3.310 -4.839 10.116 560 HB3 GLU 71 2HB GLU 71 -4.405 -3.789 11.011 561 HG2 GLU 71 1HG GLU 71 -6.179 -4.223 9.367 562 HG3 GLU 71 2HG GLU 71 -5.073 -5.203 8.403 563 H TYR 72 H TYR 72 -1.104 -3.508 8.679 564 HA TYR 72 HA TYR 72 -1.568 -4.243 5.875 565 HD1 TYR 72 HD2 TYR 72 -0.828 -0.948 8.261 566 HD2 TYR 72 HD1 TYR 72 2.396 -2.404 5.866 567 HE1 TYR 72 HE2 TYR 72 0.784 0.130 9.766 568 HE2 TYR 72 HE1 TYR 72 4.001 -1.314 7.369 569 HH TYR 72 HH TYR 72 4.095 0.525 8.972 570 HB2 TYR 72 1HB TYR 72 0.122 -2.634 5.062 571 HB3 TYR 72 2HB TYR 72 -1.191 -1.792 5.876 572 H ARG 73 H ARG 73 0.065 -5.451 4.906 573 HA ARG 73 HA ARG 73 2.268 -6.470 6.625 574 HE ARG 73 HE ARG 73 3.518 -11.245 6.009 575 HB2 ARG 73 1HB ARG 73 0.209 -7.983 5.824 576 HB3 ARG 73 2HB ARG 73 1.090 -8.047 4.307 577 HG2 ARG 73 1HG ARG 73 2.151 -8.975 7.003 578 HG3 ARG 73 2HG ARG 73 1.468 -10.020 5.760 579 HD2 ARG 73 1HD ARG 73 3.321 -9.318 4.226 580 HD3 ARG 73 2HD ARG 73 4.025 -8.390 5.559 581 HH11 ARG 73 1HH1 ARG 73 5.927 -8.761 5.378 582 HH12 ARG 73 2HH1 ARG 73 7.256 -9.792 5.793 583 HH21 ARG 73 1HH2 ARG 73 5.271 -12.564 6.560 584 HH22 ARG 73 2HH2 ARG 73 6.889 -11.940 6.468 585 H VAL 74 H VAL 74 4.159 -5.625 5.916 586 HA VAL 74 HA VAL 74 4.555 -4.655 3.204 587 HB VAL 74 HB VAL 74 6.596 -4.851 5.471 588 HG11 VAL 74 1HG1 VAL 74 6.744 -3.251 2.872 589 HG12 VAL 74 2HG1 VAL 74 7.695 -4.690 3.255 590 HG13 VAL 74 3HG1 VAL 74 7.932 -3.207 4.180 591 HG21 VAL 74 3HG2 VAL 74 4.922 -2.450 4.621 592 HG22 VAL 74 1HG2 VAL 74 6.179 -2.447 5.859 593 HG23 VAL 74 2HG2 VAL 74 4.705 -3.386 6.103 594 H ILE 75 H ILE 75 5.532 -5.701 1.578 595 HA ILE 75 HA ILE 75 7.064 -8.187 1.964 596 HB ILE 75 HB ILE 75 5.448 -7.277 -0.480 597 HG12 ILE 75 1HG1 ILE 75 4.247 -9.587 -0.031 598 HG13 ILE 75 2HG1 ILE 75 4.899 -9.432 1.592 599 HG21 ILE 75 1HG2 ILE 75 7.463 -8.386 -1.257 600 HG22 ILE 75 2HG2 ILE 75 6.068 -9.424 -1.553 601 HG23 ILE 75 3HG2 ILE 75 7.154 -9.772 -0.205 602 HD11 ILE 75 3HD1 ILE 75 3.008 -7.518 0.229 603 HD12 ILE 75 1HD1 ILE 75 3.658 -7.331 1.861 604 HD13 ILE 75 2HD1 ILE 75 2.605 -8.693 1.481 605 H LEU 76 H LEU 76 9.130 -8.186 1.147 606 HA LEU 76 HA LEU 76 10.411 -5.724 0.484 607 HG LEU 76 HG LEU 76 10.966 -8.211 2.627 608 HB2 LEU 76 1HB LEU 76 11.484 -8.568 0.281 609 HB3 LEU 76 2HB LEU 76 12.452 -7.101 0.214 610 HD11 LEU 76 1HD1 LEU 76 13.181 -8.370 3.638 611 HD12 LEU 76 2HD1 LEU 76 13.923 -7.740 2.164 612 HD13 LEU 76 3HD1 LEU 76 13.098 -9.304 2.144 613 HD21 LEU 76 3HD2 LEU 76 11.806 -6.285 3.920 614 HD22 LEU 76 1HD2 LEU 76 10.684 -5.784 2.658 615 HD23 LEU 76 2HD2 LEU 76 12.419 -5.546 2.437 616 HA PRO 77 HA PRO 77 9.928 -5.781 -3.980 617 HB2 PRO 77 1HB PRO 77 12.057 -4.259 -4.768 618 HB3 PRO 77 2HB PRO 77 10.647 -3.588 -3.958 619 HG2 PRO 77 1HG PRO 77 13.325 -4.288 -2.808 620 HG3 PRO 77 2HG PRO 77 12.318 -2.859 -2.501 621 HD2 PRO 77 1HD PRO 77 12.440 -5.009 -0.798 622 HD3 PRO 77 2HD PRO 77 11.006 -3.977 -0.941 623 H LYS 78 H LYS 78 11.108 -6.218 -6.047 624 HA LYS 78 HA LYS 78 12.771 -8.565 -5.983 625 HB2 LYS 78 1HB LYS 78 12.868 -8.126 -8.556 626 HB3 LYS 78 2HB LYS 78 11.329 -8.552 -7.840 627 HG2 LYS 78 1HG LYS 78 10.900 -6.852 -9.452 628 HG3 LYS 78 2HG LYS 78 10.694 -6.118 -7.862 629 HD2 LYS 78 1HD LYS 78 12.854 -4.978 -8.075 630 HD3 LYS 78 2HD LYS 78 13.186 -5.813 -9.597 631 HE2 LYS 78 1HE LYS 78 11.319 -4.648 -10.669 632 HE3 LYS 78 2HE LYS 78 10.883 -3.881 -9.143 633 HZ1 LYS 78 3HZ LYS 78 12.957 -2.683 -9.176 634 HZ2 LYS 78 1HZ LYS 78 12.100 -2.406 -10.610 635 HZ3 LYS 78 2HZ LYS 78 13.423 -3.456 -10.608 636 H GLU 79 H GLU 79 13.374 -5.209 -5.938 637 HA GLU 79 HA GLU 79 16.125 -5.369 -6.970 638 HB2 GLU 79 1HB GLU 79 15.994 -2.889 -6.986 639 HB3 GLU 79 2HB GLU 79 14.661 -3.625 -7.875 640 HG2 GLU 79 1HG GLU 79 13.344 -3.351 -5.614 641 HG3 GLU 79 2HG GLU 79 14.608 -2.186 -5.222 642 H ALA 80 H ALA 80 14.784 -5.993 -4.087 643 HA ALA 80 HA ALA 80 16.254 -4.415 -2.230 644 HB1 ALA 80 3HB ALA 80 14.195 -5.606 -1.599 645 HB2 ALA 80 1HB ALA 80 15.537 -6.063 -0.552 646 HB3 ALA 80 2HB ALA 80 15.004 -7.152 -1.834 Start of MODEL 10 1 H MET 1 H MET 1 -9.519 -5.966 7.020 2 HA MET 1 HA MET 1 -9.419 -5.674 4.653 3 HB2 MET 1 1HB MET 1 -9.235 -2.704 5.303 4 HB3 MET 1 2HB MET 1 -9.074 -3.421 3.700 5 HG2 MET 1 1HG MET 1 -11.236 -2.498 3.838 6 HG3 MET 1 2HG MET 1 -11.442 -4.241 3.937 7 HE1 MET 1 3HE MET 1 -13.988 -3.893 4.935 8 HE2 MET 1 1HE MET 1 -13.741 -2.152 4.763 9 HE3 MET 1 2HE MET 1 -14.316 -2.815 6.293 10 H SER 2 H SER 2 -7.310 -6.016 3.896 11 HA SER 2 HA SER 2 -5.099 -5.121 5.657 12 HG SER 2 HG SER 2 -3.593 -7.304 6.349 13 HB2 SER 2 1HB SER 2 -5.639 -7.578 5.813 14 HB3 SER 2 2HB SER 2 -5.202 -7.736 4.113 15 H ALA 3 H ALA 3 -3.459 -4.113 4.743 16 HA ALA 3 HA ALA 3 -3.375 -3.683 1.815 17 HB1 ALA 3 3HB ALA 3 -2.048 -1.668 2.334 18 HB2 ALA 3 1HB ALA 3 -2.138 -2.035 4.060 19 HB3 ALA 3 2HB ALA 3 -3.603 -1.636 3.161 20 H LYS 4 H LYS 4 -1.577 -4.240 0.697 21 HA LYS 4 HA LYS 4 0.724 -5.464 2.027 22 HB2 LYS 4 1HB LYS 4 1.144 -6.576 -0.227 23 HB3 LYS 4 2HB LYS 4 -0.286 -7.138 0.627 24 HG2 LYS 4 1HG LYS 4 -1.746 -5.902 -0.828 25 HG3 LYS 4 2HG LYS 4 -0.390 -5.051 -1.562 26 HD2 LYS 4 1HD LYS 4 -1.172 -6.707 -3.124 27 HD3 LYS 4 2HD LYS 4 0.400 -7.228 -2.526 28 HE2 LYS 4 1HE LYS 4 -2.232 -8.282 -1.458 29 HE3 LYS 4 2HE LYS 4 -1.341 -9.043 -2.770 30 HZ1 LYS 4 3HZ LYS 4 -0.806 -10.175 -0.796 31 HZ2 LYS 4 1HZ LYS 4 -0.489 -8.744 0.049 32 HZ3 LYS 4 2HZ LYS 4 0.554 -9.247 -1.183 33 H ILE 5 H ILE 5 2.458 -4.230 2.013 34 HA ILE 5 HA ILE 5 2.835 -2.146 -0.057 35 HB ILE 5 HB ILE 5 4.216 -2.320 2.670 36 HG12 ILE 5 1HG1 ILE 5 2.933 -0.038 2.999 37 HG13 ILE 5 2HG1 ILE 5 1.893 -0.614 1.701 38 HG21 ILE 5 1HG2 ILE 5 5.688 -1.369 0.949 39 HG22 ILE 5 2HG2 ILE 5 5.195 -0.110 2.085 40 HG23 ILE 5 3HG2 ILE 5 4.441 -0.202 0.492 41 HD11 ILE 5 3HD1 ILE 5 0.944 -1.019 3.881 42 HD12 ILE 5 1HD1 ILE 5 2.338 -2.000 4.327 43 HD13 ILE 5 2HD1 ILE 5 1.259 -2.533 3.033 44 H TYR 6 H TYR 6 4.322 -2.618 -1.526 45 HA TYR 6 HA TYR 6 6.685 -4.183 -0.946 46 HD1 TYR 6 HD2 TYR 6 2.681 -4.948 -1.721 47 HD2 TYR 6 HD1 TYR 6 5.432 -5.697 -4.916 48 HE1 TYR 6 HE2 TYR 6 0.855 -4.783 -3.346 49 HE2 TYR 6 HE1 TYR 6 3.589 -5.539 -6.528 50 HH TYR 6 HH TYR 6 0.424 -4.438 -5.613 51 HB2 TYR 6 1HB TYR 6 6.193 -5.934 -2.657 52 HB3 TYR 6 2HB TYR 6 5.037 -5.990 -1.337 53 H ARG 7 H ARG 7 7.960 -4.402 -3.055 54 HA ARG 7 HA ARG 7 7.348 -2.274 -5.027 55 HE ARG 7 HE ARG 7 11.295 0.550 -6.668 56 HB2 ARG 7 1HB ARG 7 9.029 -1.443 -3.346 57 HB3 ARG 7 2HB ARG 7 10.108 -2.743 -3.824 58 HG2 ARG 7 1HG ARG 7 10.275 -1.790 -6.097 59 HG3 ARG 7 2HG ARG 7 9.124 -0.527 -5.652 60 HD2 ARG 7 1HD ARG 7 10.738 0.186 -3.846 61 HD3 ARG 7 2HD ARG 7 11.903 -0.948 -4.529 62 HH11 ARG 7 1HH1 ARG 7 12.272 1.451 -3.425 63 HH12 ARG 7 2HH1 ARG 7 12.900 2.993 -3.904 64 HH21 ARG 7 1HH2 ARG 7 12.116 2.603 -7.280 65 HH22 ARG 7 2HH2 ARG 7 12.798 3.647 -6.077 66 HA PRO 8 HA PRO 8 8.103 -6.295 -7.022 67 HB2 PRO 8 1HB PRO 8 6.450 -5.992 -9.153 68 HB3 PRO 8 2HB PRO 8 5.835 -6.319 -7.527 69 HG2 PRO 8 1HG PRO 8 5.934 -3.731 -9.033 70 HG3 PRO 8 2HG PRO 8 4.668 -4.347 -7.954 71 HD2 PRO 8 1HD PRO 8 6.627 -2.485 -7.224 72 HD3 PRO 8 2HD PRO 8 5.700 -3.479 -6.082 73 H ALA 9 H ALA 9 9.316 -7.007 -8.753 74 HA ALA 9 HA ALA 9 11.142 -5.277 -10.080 75 HB1 ALA 9 3HB ALA 9 11.850 -7.318 -11.294 76 HB2 ALA 9 1HB ALA 9 10.435 -8.181 -10.680 77 HB3 ALA 9 2HB ALA 9 11.686 -7.625 -9.565 78 H LYS 10 H LYS 10 7.900 -6.058 -10.746 79 HA LYS 10 HA LYS 10 8.064 -5.019 -13.516 80 HB2 LYS 10 1HB LYS 10 5.894 -6.231 -13.892 81 HB3 LYS 10 2HB LYS 10 7.273 -7.283 -13.608 82 HG2 LYS 10 1HG LYS 10 6.528 -7.828 -11.390 83 HG3 LYS 10 2HG LYS 10 5.296 -6.566 -11.415 84 HD2 LYS 10 1HD LYS 10 5.314 -9.064 -13.155 85 HD3 LYS 10 2HD LYS 10 4.307 -8.808 -11.727 86 HE2 LYS 10 1HE LYS 10 3.185 -6.914 -12.862 87 HE3 LYS 10 2HE LYS 10 4.200 -7.167 -14.286 88 HZ1 LYS 10 3HZ LYS 10 2.082 -8.178 -14.618 89 HZ2 LYS 10 1HZ LYS 10 2.197 -9.040 -13.171 90 HZ3 LYS 10 2HZ LYS 10 3.230 -9.409 -14.452 91 H THR 11 H THR 11 7.614 -2.927 -13.356 92 HA THR 11 HA THR 11 4.879 -2.135 -12.688 93 HB THR 11 HB THR 11 5.777 0.138 -11.818 94 HG1 THR 11 HG1 THR 11 7.885 0.163 -12.125 95 HG21 THR 11 3HG2 THR 11 4.710 -1.438 -10.253 96 HG22 THR 11 1HG2 THR 11 6.051 -0.577 -9.491 97 HG23 THR 11 2HG2 THR 11 6.258 -2.250 -10.012 98 H ALA 12 H ALA 12 8.021 -1.345 -14.103 99 HA ALA 12 HA ALA 12 8.691 -0.562 -16.096 100 HB1 ALA 12 3HB ALA 12 7.302 -0.999 -18.076 101 HB2 ALA 12 1HB ALA 12 5.896 -1.277 -17.044 102 HB3 ALA 12 2HB ALA 12 7.270 -2.382 -16.978 103 H MET 13 H MET 13 8.186 1.367 -14.371 104 HA MET 13 HA MET 13 6.431 3.427 -15.471 105 HB2 MET 13 1HB MET 13 8.398 3.684 -13.148 106 HB3 MET 13 2HB MET 13 7.039 4.747 -13.517 107 HG2 MET 13 1HG MET 13 6.892 1.881 -12.548 108 HG3 MET 13 2HG MET 13 6.494 3.334 -11.630 109 HE1 MET 13 3HE MET 13 4.278 4.771 -11.988 110 HE2 MET 13 1HE MET 13 3.180 4.533 -13.346 111 HE3 MET 13 2HE MET 13 4.817 5.121 -13.632 112 H GLN 14 H GLN 14 7.143 5.217 -16.613 113 HA GLN 14 HA GLN 14 10.039 5.463 -17.225 114 HB2 GLN 14 1HB GLN 14 7.735 5.543 -19.235 115 HB3 GLN 14 2HB GLN 14 9.393 5.992 -19.614 116 HG2 GLN 14 1HG GLN 14 8.568 3.232 -18.669 117 HG3 GLN 14 2HG GLN 14 8.703 3.689 -20.365 118 HE21 GLN 14 2HE2 GLN 14 10.312 2.194 -20.806 119 HE22 GLN 14 1HE2 GLN 14 11.926 2.329 -20.210 120 H SER 15 H SER 15 10.192 7.240 -15.794 121 HA SER 15 HA SER 15 9.885 9.746 -17.104 122 HG SER 15 HG SER 15 7.541 11.583 -15.536 123 HB2 SER 15 1HB SER 15 7.563 9.571 -16.189 124 HB3 SER 15 2HB SER 15 8.219 9.357 -14.568 125 H GLY 16 H GLY 16 10.820 11.533 -15.723 126 HA2 GLY 16 1HA GLY 16 13.126 10.709 -14.200 127 HA3 GLY 16 2HA GLY 16 12.572 12.360 -14.470 128 H THR 17 H THR 17 9.853 11.755 -13.482 129 HA THR 17 HA THR 17 10.281 12.090 -10.623 130 HB THR 17 HB THR 17 8.590 13.452 -11.916 131 HG1 THR 17 HG1 THR 17 7.857 13.652 -9.957 132 HG21 THR 17 3HG2 THR 17 6.417 12.502 -12.508 133 HG22 THR 17 1HG2 THR 17 6.930 10.905 -11.958 134 HG23 THR 17 2HG2 THR 17 7.691 11.636 -13.372 135 H ALA 18 H ALA 18 9.677 9.474 -12.756 136 HA ALA 18 HA ALA 18 8.511 7.761 -10.625 137 HB1 ALA 18 3HB ALA 18 7.382 6.493 -12.387 138 HB2 ALA 18 1HB ALA 18 8.104 7.515 -13.636 139 HB3 ALA 18 2HB ALA 18 6.942 8.196 -12.493 140 H LYS 19 H LYS 19 10.137 6.558 -9.852 141 HA LYS 19 HA LYS 19 12.406 5.565 -11.203 142 HB2 LYS 19 1HB LYS 19 10.931 4.527 -8.736 143 HB3 LYS 19 2HB LYS 19 12.495 3.917 -9.266 144 HG2 LYS 19 1HG LYS 19 12.003 6.826 -8.541 145 HG3 LYS 19 2HG LYS 19 12.555 5.612 -7.384 146 HD2 LYS 19 1HD LYS 19 14.027 6.370 -9.942 147 HD3 LYS 19 2HD LYS 19 14.422 6.987 -8.336 148 HE2 LYS 19 1HE LYS 19 14.899 4.650 -7.591 149 HE3 LYS 19 2HE LYS 19 14.566 4.085 -9.228 150 HZ1 LYS 19 3HZ LYS 19 16.735 5.928 -8.412 151 HZ2 LYS 19 1HZ LYS 19 16.401 5.475 -10.006 152 HZ3 LYS 19 2HZ LYS 19 16.909 4.316 -8.888 153 H THR 20 H THR 20 12.812 3.570 -12.176 154 HA THR 20 HA THR 20 10.932 2.502 -13.912 155 HB THR 20 HB THR 20 12.573 0.583 -14.214 156 HG1 THR 20 HG1 THR 20 14.413 0.531 -12.956 157 HG21 THR 20 3HG2 THR 20 14.436 1.965 -15.057 158 HG22 THR 20 1HG2 THR 20 13.818 3.356 -14.169 159 HG23 THR 20 2HG2 THR 20 12.881 2.670 -15.500 160 H ASN 21 H ASN 21 11.903 1.325 -10.735 161 HA ASN 21 HA ASN 21 9.389 -0.199 -10.510 162 HB2 ASN 21 1HB ASN 21 12.090 -0.780 -9.222 163 HB3 ASN 21 2HB ASN 21 10.589 -1.505 -8.653 164 HD21 ASN 21 2HD2 ASN 21 9.410 -1.865 -11.292 165 HD22 ASN 21 1HD2 ASN 21 10.287 -3.153 -12.031 166 H VAL 22 H VAL 22 8.020 0.601 -9.078 167 HA VAL 22 HA VAL 22 8.895 2.632 -7.080 168 HB VAL 22 HB VAL 22 7.632 3.633 -8.993 169 HG11 VAL 22 1HG1 VAL 22 5.321 1.831 -8.174 170 HG12 VAL 22 2HG1 VAL 22 6.268 1.692 -9.657 171 HG13 VAL 22 3HG1 VAL 22 5.251 3.109 -9.393 172 HG21 VAL 22 3HG2 VAL 22 6.028 3.674 -6.410 173 HG22 VAL 22 1HG2 VAL 22 5.937 4.879 -7.700 174 HG23 VAL 22 2HG2 VAL 22 7.427 4.684 -6.775 175 H TRP 23 H TRP 23 7.342 2.691 -5.107 176 HA TRP 23 HA TRP 23 6.916 -0.043 -4.179 177 HD1 TRP 23 HD1 TRP 23 9.335 3.010 -3.233 178 HE1 TRP 23 HE1 TRP 23 11.357 2.041 -1.999 179 HE3 TRP 23 HE3 TRP 23 7.061 -0.932 -0.890 180 HZ2 TRP 23 HZ2 TRP 23 11.949 -0.114 -0.281 181 HZ3 TRP 23 HZ3 TRP 23 8.432 -2.417 0.526 182 HH2 TRP 23 HH2 TRP 23 10.829 -2.014 0.821 183 HB2 TRP 23 1HB TRP 23 6.678 2.660 -2.776 184 HB3 TRP 23 2HB TRP 23 6.196 1.146 -2.015 185 H VAL 24 H VAL 24 4.961 -0.969 -4.430 186 HA VAL 24 HA VAL 24 2.619 0.676 -5.110 187 HB VAL 24 HB VAL 24 3.058 -2.339 -5.405 188 HG11 VAL 24 1HG1 VAL 24 0.751 -0.627 -6.428 189 HG12 VAL 24 2HG1 VAL 24 0.664 -1.815 -5.125 190 HG13 VAL 24 3HG1 VAL 24 0.991 -2.347 -6.774 191 HG21 VAL 24 3HG2 VAL 24 3.120 -0.177 -7.547 192 HG22 VAL 24 1HG2 VAL 24 3.252 -1.919 -7.829 193 HG23 VAL 24 2HG2 VAL 24 4.513 -1.072 -6.932 194 H LEU 25 H LEU 25 0.914 0.722 -3.817 195 HA LEU 25 HA LEU 25 0.713 -0.949 -1.399 196 HG LEU 25 HG LEU 25 -1.961 0.618 -0.579 197 HB2 LEU 25 1HB LEU 25 0.962 1.428 -0.837 198 HB3 LEU 25 2HB LEU 25 -0.281 1.880 -1.993 199 HD11 LEU 25 1HD1 LEU 25 0.267 0.480 1.461 200 HD12 LEU 25 2HD1 LEU 25 -0.445 -0.889 0.601 201 HD13 LEU 25 3HD1 LEU 25 -1.426 0.049 1.725 202 HD21 LEU 25 3HD2 LEU 25 -0.558 2.909 0.811 203 HD22 LEU 25 1HD2 LEU 25 -2.200 2.343 1.129 204 HD23 LEU 25 2HD2 LEU 25 -1.801 3.050 -0.436 205 H GLU 26 H GLU 26 -0.542 -2.549 -2.059 206 HA GLU 26 HA GLU 26 -3.138 -1.892 -3.365 207 HB2 GLU 26 1HB GLU 26 -1.439 -4.371 -3.465 208 HB3 GLU 26 2HB GLU 26 -3.180 -4.576 -3.551 209 HG2 GLU 26 1HG GLU 26 -3.065 -2.850 -5.454 210 HG3 GLU 26 2HG GLU 26 -1.331 -3.160 -5.464 211 H PHE 27 H PHE 27 -4.948 -2.178 -2.167 212 HA PHE 27 HA PHE 27 -4.804 -3.847 0.260 213 HD1 PHE 27 HD2 PHE 27 -3.947 0.131 -0.642 214 HD2 PHE 27 HD1 PHE 27 -7.890 -0.736 0.784 215 HE1 PHE 27 HE2 PHE 27 -4.744 2.286 -1.512 216 HE2 PHE 27 HE1 PHE 27 -8.674 1.427 -0.093 217 HZ PHE 27 HZ PHE 27 -7.103 2.939 -1.234 218 HB2 PHE 27 1HB PHE 27 -5.994 -2.050 1.564 219 HB3 PHE 27 2HB PHE 27 -4.356 -1.629 1.111 220 H ASP 28 H ASP 28 -6.732 -4.725 0.942 221 HA ASP 28 HA ASP 28 -8.966 -4.925 -0.749 222 HB2 ASP 28 1HB ASP 28 -8.366 -6.462 1.168 223 HB3 ASP 28 2HB ASP 28 -8.871 -5.198 2.286 224 H ALA 29 H ALA 29 -9.930 -3.104 -1.430 225 HA ALA 29 HA ALA 29 -9.860 -0.592 -0.234 226 HB1 ALA 29 3HB ALA 29 -11.590 0.049 -1.862 227 HB2 ALA 29 1HB ALA 29 -11.888 -1.656 -2.220 228 HB3 ALA 29 2HB ALA 29 -10.327 -0.930 -2.617 229 H GLU 30 H GLU 30 -10.901 0.256 1.435 230 HA GLU 30 HA GLU 30 -12.664 -1.281 3.058 231 HB2 GLU 30 1HB GLU 30 -12.531 0.520 4.660 232 HB3 GLU 30 2HB GLU 30 -10.943 0.310 3.947 233 HG2 GLU 30 1HG GLU 30 -12.909 2.491 3.192 234 HG3 GLU 30 2HG GLU 30 -11.576 2.689 4.320 235 H VAL 31 H VAL 31 -13.454 0.192 0.301 236 HA VAL 31 HA VAL 31 -15.929 1.517 1.074 237 HB VAL 31 HB VAL 31 -14.507 2.550 -0.679 238 HG11 VAL 31 1HG1 VAL 31 -13.514 0.542 -1.693 239 HG12 VAL 31 2HG1 VAL 31 -14.244 1.561 -2.932 240 HG13 VAL 31 3HG1 VAL 31 -15.071 0.098 -2.391 241 HG21 VAL 31 3HG2 VAL 31 -16.917 3.004 -0.715 242 HG22 VAL 31 1HG2 VAL 31 -17.191 1.601 -1.752 243 HG23 VAL 31 2HG2 VAL 31 -16.279 2.987 -2.359 244 HA PRO 32 HA PRO 32 -18.233 -2.368 0.211 245 HB2 PRO 32 1HB PRO 32 -20.724 -1.502 0.803 246 HB3 PRO 32 2HB PRO 32 -19.510 -1.685 2.081 247 HG2 PRO 32 1HG PRO 32 -20.336 0.826 0.606 248 HG3 PRO 32 2HG PRO 32 -20.164 0.575 2.359 249 HD2 PRO 32 1HD PRO 32 -18.196 1.715 0.845 250 HD3 PRO 32 2HD PRO 32 -17.844 0.742 2.289 251 H ARG 33 H ARG 33 -20.745 -2.392 -0.893 252 HA ARG 33 HA ARG 33 -20.351 -1.940 -3.666 253 HE ARG 33 HE ARG 33 -25.930 -2.393 -1.211 254 HB2 ARG 33 1HB ARG 33 -22.592 -2.811 -3.959 255 HB3 ARG 33 2HB ARG 33 -21.780 -3.755 -2.720 256 HG2 ARG 33 1HG ARG 33 -23.043 -2.501 -0.966 257 HG3 ARG 33 2HG ARG 33 -23.873 -1.593 -2.235 258 HD2 ARG 33 1HD ARG 33 -24.770 -3.773 -3.115 259 HD3 ARG 33 2HD ARG 33 -24.038 -4.583 -1.723 260 HH11 ARG 33 1HH1 ARG 33 -25.341 -5.867 -1.140 261 HH12 ARG 33 2HH1 ARG 33 -26.758 -6.202 -0.197 262 HH21 ARG 33 1HH2 ARG 33 -27.780 -2.864 0.001 263 HH22 ARG 33 2HH2 ARG 33 -28.136 -4.502 0.441 264 H LYS 34 H LYS 34 -21.430 0.126 -1.162 265 HA LYS 34 HA LYS 34 -22.931 1.997 -2.744 266 HB2 LYS 34 1HB LYS 34 -21.623 2.327 -0.009 267 HB3 LYS 34 2HB LYS 34 -22.704 3.506 -0.747 268 HG2 LYS 34 1HG LYS 34 -23.447 0.667 0.041 269 HG3 LYS 34 2HG LYS 34 -23.843 2.124 0.957 270 HD2 LYS 34 1HD LYS 34 -24.795 1.537 -1.876 271 HD3 LYS 34 2HD LYS 34 -25.745 1.247 -0.421 272 HE2 LYS 34 1HE LYS 34 -24.749 3.966 -1.351 273 HE3 LYS 34 2HE LYS 34 -26.387 3.345 -1.562 274 HZ1 LYS 34 3HZ LYS 34 -26.599 3.239 0.867 275 HZ2 LYS 34 1HZ LYS 34 -26.273 4.812 0.338 276 HZ3 LYS 34 2HZ LYS 34 -25.048 3.886 1.039 277 H ILE 35 H ILE 35 -21.613 2.315 -4.504 278 HA ILE 35 HA ILE 35 -19.386 4.235 -4.153 279 HB ILE 35 HB ILE 35 -18.571 3.264 -6.467 280 HG12 ILE 35 1HG1 ILE 35 -18.953 0.735 -6.650 281 HG13 ILE 35 2HG1 ILE 35 -20.246 0.905 -5.472 282 HG21 ILE 35 1HG2 ILE 35 -18.178 1.664 -3.911 283 HG22 ILE 35 2HG2 ILE 35 -17.273 3.098 -4.409 284 HG23 ILE 35 3HG2 ILE 35 -17.133 1.607 -5.338 285 HD11 ILE 35 3HD1 ILE 35 -21.077 0.717 -7.726 286 HD12 ILE 35 1HD1 ILE 35 -20.167 2.145 -8.213 287 HD13 ILE 35 2HD1 ILE 35 -21.485 2.291 -7.046 288 H ASP 36 H ASP 36 -19.185 5.009 -6.905 289 HA ASP 36 HA ASP 36 -21.366 6.761 -7.264 290 HB2 ASP 36 1HB ASP 36 -19.244 5.809 -9.229 291 HB3 ASP 36 2HB ASP 36 -20.466 6.999 -9.676 292 HA PRO 37 HA PRO 37 -24.354 3.640 -8.571 293 HB2 PRO 37 1HB PRO 37 -26.494 5.287 -9.064 294 HB3 PRO 37 2HB PRO 37 -25.952 4.870 -7.432 295 HG2 PRO 37 1HG PRO 37 -25.341 7.346 -9.053 296 HG3 PRO 37 2HG PRO 37 -25.852 7.223 -7.352 297 HD2 PRO 37 1HD PRO 37 -23.256 7.581 -8.020 298 HD3 PRO 37 2HD PRO 37 -23.718 6.587 -6.622 299 H ILE 38 H ILE 38 -23.041 6.048 -10.592 300 HA ILE 38 HA ILE 38 -24.135 5.503 -13.118 301 HB ILE 38 HB ILE 38 -21.276 6.224 -12.304 302 HG12 ILE 38 1HG1 ILE 38 -23.516 7.984 -13.401 303 HG13 ILE 38 2HG1 ILE 38 -22.997 7.924 -11.721 304 HG21 ILE 38 1HG2 ILE 38 -22.428 6.263 -15.118 305 HG22 ILE 38 2HG2 ILE 38 -21.165 5.182 -14.515 306 HG23 ILE 38 3HG2 ILE 38 -20.856 6.914 -14.646 307 HD11 ILE 38 3HD1 ILE 38 -22.123 9.892 -12.804 308 HD12 ILE 38 1HD1 ILE 38 -21.369 8.914 -14.063 309 HD13 ILE 38 2HD1 ILE 38 -20.794 8.807 -12.397 310 H MET 39 H MET 39 -21.487 3.928 -11.340 311 HA MET 39 HA MET 39 -21.227 1.819 -13.401 312 HB2 MET 39 1HB MET 39 -18.942 1.477 -12.444 313 HB3 MET 39 2HB MET 39 -19.182 3.096 -13.082 314 HG2 MET 39 1HG MET 39 -19.461 3.974 -10.818 315 HG3 MET 39 2HG MET 39 -19.295 2.351 -10.153 316 HE1 MET 39 3HE MET 39 -15.936 4.057 -9.058 317 HE2 MET 39 1HE MET 39 -17.330 3.122 -8.516 318 HE3 MET 39 2HE MET 39 -17.550 4.767 -9.115 319 H GLY 40 H GLY 40 -22.948 2.141 -10.699 320 HA2 GLY 40 1HA GLY 40 -23.177 -0.658 -10.231 321 HA3 GLY 40 2HA GLY 40 -22.250 0.098 -8.938 322 H TYR 41 H TYR 41 -23.830 -0.414 -7.420 323 HA TYR 41 HA TYR 41 -25.665 -0.247 -6.134 324 HD1 TYR 41 HD1 TYR 41 -26.203 0.672 -4.082 325 HD2 TYR 41 HD2 TYR 41 -27.996 3.615 -6.620 326 HE1 TYR 41 HE1 TYR 41 -27.942 1.072 -2.399 327 HE2 TYR 41 HE2 TYR 41 -29.736 4.006 -4.927 328 HH TYR 41 HH TYR 41 -29.483 2.898 -1.747 329 HB2 TYR 41 1HB TYR 41 -24.926 2.174 -6.111 330 HB3 TYR 41 2HB TYR 41 -26.080 2.495 -7.401 331 H THR 42 H THR 42 -26.000 -1.798 -8.210 332 HA THR 42 HA THR 42 -28.800 -1.894 -8.760 333 HB THR 42 HB THR 42 -28.158 -0.159 -10.427 334 HG1 THR 42 HG1 THR 42 -29.791 -1.295 -11.235 335 HG21 THR 42 3HG2 THR 42 -26.675 -0.685 -12.341 336 HG22 THR 42 1HG2 THR 42 -26.275 -2.238 -11.602 337 HG23 THR 42 2HG2 THR 42 -25.804 -0.734 -10.807 338 H SER 43 H SER 43 -28.364 -3.668 -11.179 339 HA SER 43 HA SER 43 -27.705 -6.153 -10.119 340 HG SER 43 HG SER 43 -26.886 -7.268 -13.373 341 HB2 SER 43 1HB SER 43 -28.863 -5.846 -12.307 342 HB3 SER 43 2HB SER 43 -27.362 -5.260 -13.020 343 H SER 44 H SER 44 -25.584 -3.854 -11.858 344 HA SER 44 HA SER 44 -23.109 -5.176 -11.271 345 HG SER 44 HG SER 44 -21.597 -2.053 -11.545 346 HB2 SER 44 1HB SER 44 -23.333 -3.454 -13.078 347 HB3 SER 44 2HB SER 44 -23.658 -2.225 -11.857 348 H SER 45 H SER 45 -22.590 -5.573 -9.190 349 HA SER 45 HA SER 45 -22.635 -3.475 -7.156 350 HG SER 45 HG SER 45 -23.552 -5.608 -4.801 351 HB2 SER 45 1HB SER 45 -24.896 -4.526 -7.008 352 HB3 SER 45 2HB SER 45 -24.151 -6.112 -6.810 353 H ASP 46 H ASP 46 -20.384 -3.638 -7.213 354 HA ASP 46 HA ASP 46 -19.040 -6.169 -6.797 355 HB2 ASP 46 1HB ASP 46 -18.044 -4.316 -8.192 356 HB3 ASP 46 2HB ASP 46 -17.833 -3.362 -6.725 357 H MET 47 H MET 47 -18.063 -6.889 -4.919 358 HA MET 47 HA MET 47 -19.232 -6.157 -2.434 359 HB2 MET 47 1HB MET 47 -16.663 -7.788 -2.743 360 HB3 MET 47 2HB MET 47 -17.801 -7.832 -1.404 361 HG2 MET 47 1HG MET 47 -18.120 -9.833 -2.610 362 HG3 MET 47 2HG MET 47 -19.488 -8.808 -3.043 363 HE1 MET 47 3HE MET 47 -19.768 -10.723 -5.098 364 HE2 MET 47 1HE MET 47 -18.251 -11.489 -4.624 365 HE3 MET 47 2HE MET 47 -18.499 -10.983 -6.293 366 H LYS 48 H LYS 48 -15.859 -6.091 -3.440 367 HA LYS 48 HA LYS 48 -15.271 -3.410 -2.962 368 HB2 LYS 48 1HB LYS 48 -13.850 -3.441 -0.983 369 HB3 LYS 48 2HB LYS 48 -15.425 -4.052 -0.513 370 HG2 LYS 48 1HG LYS 48 -13.030 -5.835 -1.086 371 HG3 LYS 48 2HG LYS 48 -13.461 -5.249 0.520 372 HD2 LYS 48 1HD LYS 48 -15.543 -6.491 0.493 373 HD3 LYS 48 2HD LYS 48 -15.330 -6.922 -1.206 374 HE2 LYS 48 1HE LYS 48 -14.808 -8.815 0.280 375 HE3 LYS 48 2HE LYS 48 -13.385 -8.308 -0.624 376 HZ1 LYS 48 3HZ LYS 48 -12.880 -8.765 1.696 377 HZ2 LYS 48 1HZ LYS 48 -13.977 -7.580 2.190 378 HZ3 LYS 48 2HZ LYS 48 -12.599 -7.139 1.320 379 H GLN 49 H GLN 49 -13.527 -3.051 -4.279 380 HA GLN 49 HA GLN 49 -12.097 -5.378 -5.368 381 HB2 GLN 49 1HB GLN 49 -11.352 -3.926 -7.134 382 HB3 GLN 49 2HB GLN 49 -13.055 -3.570 -6.864 383 HG2 GLN 49 1HG GLN 49 -12.411 -1.564 -5.557 384 HG3 GLN 49 2HG GLN 49 -10.709 -1.920 -5.878 385 HE21 GLN 49 2HE2 GLN 49 -9.928 -1.693 -8.030 386 HE22 GLN 49 1HE2 GLN 49 -10.751 -0.708 -9.187 387 H GLN 50 H GLN 50 -9.622 -4.511 -5.963 388 HA GLN 50 HA GLN 50 -8.370 -3.442 -3.503 389 HB2 GLN 50 1HB GLN 50 -7.400 -5.765 -5.226 390 HB3 GLN 50 2HB GLN 50 -6.410 -4.975 -3.999 391 HG2 GLN 50 1HG GLN 50 -7.929 -5.676 -2.242 392 HG3 GLN 50 2HG GLN 50 -9.055 -6.335 -3.425 393 HE21 GLN 50 2HE2 GLN 50 -7.066 -7.582 -5.080 394 HE22 GLN 50 1HE2 GLN 50 -6.466 -8.943 -4.198 395 H VAL 51 H VAL 51 -8.099 -1.353 -4.281 396 HA VAL 51 HA VAL 51 -6.941 -0.819 -6.858 397 HB VAL 51 HB VAL 51 -7.014 1.584 -6.094 398 HG11 VAL 51 1HG1 VAL 51 -9.639 0.075 -5.798 399 HG12 VAL 51 2HG1 VAL 51 -8.923 0.633 -7.313 400 HG13 VAL 51 3HG1 VAL 51 -9.473 1.805 -6.117 401 HG21 VAL 51 3HG2 VAL 51 -8.296 0.465 -3.572 402 HG22 VAL 51 1HG2 VAL 51 -8.184 2.177 -3.994 403 HG23 VAL 51 2HG2 VAL 51 -6.719 1.247 -3.671 404 H LYS 52 H LYS 52 -5.065 0.746 -6.929 405 HA LYS 52 HA LYS 52 -3.020 0.076 -4.930 406 HB2 LYS 52 1HB LYS 52 -1.343 -0.335 -6.749 407 HB3 LYS 52 2HB LYS 52 -2.602 -1.538 -6.609 408 HG2 LYS 52 1HG LYS 52 -3.694 -0.856 -8.577 409 HG3 LYS 52 2HG LYS 52 -2.799 0.662 -8.654 410 HD2 LYS 52 1HD LYS 52 -2.044 -1.043 -10.334 411 HD3 LYS 52 2HD LYS 52 -0.758 -0.486 -9.263 412 HE2 LYS 52 1HE LYS 52 -0.629 -2.917 -9.616 413 HE3 LYS 52 2HE LYS 52 -0.971 -2.552 -7.927 414 HZ1 LYS 52 3HZ LYS 52 -3.276 -3.092 -8.290 415 HZ2 LYS 52 1HZ LYS 52 -2.310 -4.385 -8.792 416 HZ3 LYS 52 2HZ LYS 52 -3.005 -3.351 -9.938 417 H LEU 53 H LEU 53 -1.667 1.589 -4.430 418 HA LEU 53 HA LEU 53 -1.704 4.209 -5.805 419 HG LEU 53 HG LEU 53 -3.514 3.210 -3.075 420 HB2 LEU 53 1HB LEU 53 -1.134 3.712 -2.852 421 HB3 LEU 53 2HB LEU 53 -1.341 5.265 -3.647 422 HD11 LEU 53 1HD1 LEU 53 -3.066 5.978 -1.928 423 HD12 LEU 53 2HD1 LEU 53 -2.789 4.439 -1.107 424 HD13 LEU 53 3HD1 LEU 53 -4.423 4.906 -1.568 425 HD21 LEU 53 3HD2 LEU 53 -3.804 5.883 -4.487 426 HD22 LEU 53 1HD2 LEU 53 -5.132 4.847 -3.954 427 HD23 LEU 53 2HD2 LEU 53 -4.027 4.285 -5.205 428 H THR 54 H THR 54 0.373 5.151 -6.117 429 HA THR 54 HA THR 54 2.692 3.360 -5.624 430 HB THR 54 HB THR 54 3.685 4.517 -7.680 431 HG1 THR 54 HG1 THR 54 0.968 5.275 -8.121 432 HG21 THR 54 3HG2 THR 54 2.778 2.207 -7.822 433 HG22 THR 54 1HG2 THR 54 2.464 3.103 -9.311 434 HG23 THR 54 2HG2 THR 54 1.167 2.857 -8.141 435 H PHE 55 H PHE 55 4.312 4.176 -4.461 436 HA PHE 55 HA PHE 55 4.573 7.086 -3.956 437 HD1 PHE 55 HD1 PHE 55 3.102 8.298 -1.832 438 HD2 PHE 55 HD2 PHE 55 2.398 4.081 -1.761 439 HE1 PHE 55 HE1 PHE 55 0.728 8.696 -1.327 440 HE2 PHE 55 HE2 PHE 55 0.027 4.492 -1.256 441 HZ PHE 55 HZ PHE 55 -0.809 6.792 -1.037 442 HB2 PHE 55 1HB PHE 55 4.649 4.901 -1.815 443 HB3 PHE 55 2HB PHE 55 4.989 6.605 -1.541 444 H GLU 56 H GLU 56 6.677 7.709 -3.200 445 HA GLU 56 HA GLU 56 8.828 6.484 -4.591 446 HB2 GLU 56 1HB GLU 56 9.008 8.542 -2.353 447 HB3 GLU 56 2HB GLU 56 10.282 8.151 -3.505 448 HG2 GLU 56 1HG GLU 56 7.641 9.528 -4.075 449 HG3 GLU 56 2HG GLU 56 9.254 10.236 -4.146 450 H THR 57 H THR 57 7.643 6.149 -1.314 451 HA THR 57 HA THR 57 9.745 4.179 -0.667 452 HB THR 57 HB THR 57 9.818 5.079 1.699 453 HG1 THR 57 HG1 THR 57 9.058 7.397 1.795 454 HG21 THR 57 3HG2 THR 57 11.632 5.688 0.131 455 HG22 THR 57 1HG2 THR 57 11.290 7.015 1.243 456 HG23 THR 57 2HG2 THR 57 10.705 7.086 -0.421 457 H GLN 58 H GLN 58 9.178 2.748 1.034 458 HA GLN 58 HA GLN 58 6.606 1.709 1.267 459 HB2 GLN 58 1HB GLN 58 8.520 0.386 1.889 460 HB3 GLN 58 2HB GLN 58 9.069 1.571 3.057 461 HG2 GLN 58 1HG GLN 58 6.418 0.300 3.615 462 HG3 GLN 58 2HG GLN 58 7.825 -0.750 3.731 463 HE21 GLN 58 2HE2 GLN 58 7.602 -1.001 5.973 464 HE22 GLN 58 1HE2 GLN 58 7.902 0.258 7.101 465 H GLU 59 H GLU 59 8.296 4.120 3.192 466 HA GLU 59 HA GLU 59 6.803 4.304 5.480 467 HB2 GLU 59 1HB GLU 59 7.741 6.936 4.306 468 HB3 GLU 59 2HB GLU 59 7.898 6.329 5.948 469 HG2 GLU 59 1HG GLU 59 9.595 5.634 3.544 470 HG3 GLU 59 2HG GLU 59 10.075 6.569 4.950 471 H GLN 60 H GLN 60 6.224 5.936 2.405 472 HA GLN 60 HA GLN 60 4.025 7.560 3.269 473 HB2 GLN 60 1HB GLN 60 5.000 6.839 0.478 474 HB3 GLN 60 2HB GLN 60 3.800 8.081 0.834 475 HG2 GLN 60 1HG GLN 60 5.450 9.393 2.041 476 HG3 GLN 60 2HG GLN 60 6.664 8.131 1.834 477 HE21 GLN 60 2HE2 GLN 60 7.615 7.843 -0.220 478 HE22 GLN 60 1HE2 GLN 60 7.511 9.059 -1.445 479 H ALA 61 H ALA 61 4.279 4.275 1.918 480 HA ALA 61 HA ALA 61 1.544 4.120 1.016 481 HB1 ALA 61 3HB ALA 61 3.699 1.992 1.314 482 HB2 ALA 61 1HB ALA 61 3.332 2.910 -0.151 483 HB3 ALA 61 2HB ALA 61 2.146 1.778 0.498 484 H GLU 62 H GLU 62 3.487 2.846 3.702 485 HA GLU 62 HA GLU 62 1.353 1.507 5.006 486 HB2 GLU 62 1HB GLU 62 2.838 1.337 6.960 487 HB3 GLU 62 2HB GLU 62 3.664 0.887 5.481 488 HG2 GLU 62 1HG GLU 62 4.925 2.920 5.484 489 HG3 GLU 62 2HG GLU 62 3.938 3.604 6.773 490 H ALA 63 H ALA 63 2.713 4.778 5.412 491 HA ALA 63 HA ALA 63 1.283 5.714 7.580 492 HB1 ALA 63 3HB ALA 63 1.654 7.971 6.667 493 HB2 ALA 63 1HB ALA 63 2.028 7.285 5.080 494 HB3 ALA 63 2HB ALA 63 3.091 6.972 6.453 495 H TYR 64 H TYR 64 0.202 5.427 4.213 496 HA TYR 64 HA TYR 64 -2.254 6.843 4.452 497 HD1 TYR 64 HD1 TYR 64 -3.272 7.809 1.725 498 HD2 TYR 64 HD2 TYR 64 -3.601 3.565 2.163 499 HE1 TYR 64 HE1 TYR 64 -5.495 7.862 0.673 500 HE2 TYR 64 HE2 TYR 64 -5.814 3.628 1.111 501 HH TYR 64 HH TYR 64 -6.973 6.287 -0.579 502 HB2 TYR 64 1HB TYR 64 -1.257 6.422 2.251 503 HB3 TYR 64 2HB TYR 64 -1.412 4.683 2.471 504 H ALA 65 H ALA 65 -1.586 3.329 4.347 505 HA ALA 65 HA ALA 65 -4.071 2.279 4.877 506 HB1 ALA 65 3HB ALA 65 -2.123 0.924 4.209 507 HB2 ALA 65 1HB ALA 65 -2.884 0.251 5.656 508 HB3 ALA 65 2HB ALA 65 -1.386 1.182 5.793 509 H GLN 66 H GLN 66 -1.602 3.212 7.267 510 HA GLN 66 HA GLN 66 -2.903 2.507 9.641 511 HB2 GLN 66 1HB GLN 66 -0.829 4.667 9.107 512 HB3 GLN 66 2HB GLN 66 -1.349 4.201 10.725 513 HG2 GLN 66 1HG GLN 66 -0.526 1.922 10.342 514 HG3 GLN 66 2HG GLN 66 -0.024 2.363 8.713 515 HE21 GLN 66 2HE2 GLN 66 1.817 3.692 8.455 516 HE22 GLN 66 1HE2 GLN 66 2.954 3.937 9.731 517 H ARG 67 H ARG 67 -2.875 5.610 7.892 518 HA ARG 67 HA ARG 67 -4.479 7.213 9.508 519 HE ARG 67 HE ARG 67 -6.812 10.588 6.049 520 HB2 ARG 67 1HB ARG 67 -3.314 8.175 7.625 521 HB3 ARG 67 2HB ARG 67 -4.097 7.083 6.497 522 HG2 ARG 67 1HG ARG 67 -6.264 8.255 6.921 523 HG3 ARG 67 2HG ARG 67 -5.407 9.403 7.956 524 HD2 ARG 67 1HD ARG 67 -4.151 10.264 6.103 525 HD3 ARG 67 2HD ARG 67 -4.644 8.927 5.058 526 HH11 ARG 67 1HH1 ARG 67 -4.550 10.091 3.406 527 HH12 ARG 67 2HH1 ARG 67 -5.535 10.932 2.255 528 HH21 ARG 67 1HH2 ARG 67 -8.108 11.643 4.517 529 HH22 ARG 67 2HH2 ARG 67 -7.551 11.795 2.878 530 H LYS 68 H LYS 68 -5.429 4.722 7.129 531 HA LYS 68 HA LYS 68 -8.268 5.310 7.280 532 HB2 LYS 68 1HB LYS 68 -6.676 3.096 5.912 533 HB3 LYS 68 2HB LYS 68 -8.431 3.228 5.828 534 HG2 LYS 68 1HG LYS 68 -6.448 5.268 4.772 535 HG3 LYS 68 2HG LYS 68 -7.350 4.090 3.807 536 HD2 LYS 68 1HD LYS 68 -9.487 5.173 4.712 537 HD3 LYS 68 2HD LYS 68 -8.460 6.450 5.376 538 HE2 LYS 68 1HE LYS 68 -9.358 7.190 3.265 539 HE3 LYS 68 2HE LYS 68 -7.631 6.900 3.053 540 HZ1 LYS 68 3HZ LYS 68 -9.020 6.016 1.228 541 HZ2 LYS 68 1HZ LYS 68 -9.753 4.949 2.318 542 HZ3 LYS 68 2HZ LYS 68 -8.101 4.823 1.994 543 H GLY 69 H GLY 69 -5.957 3.233 8.922 544 HA2 GLY 69 1HA GLY 69 -6.387 1.919 10.811 545 HA3 GLY 69 2HA GLY 69 -8.086 1.806 10.373 546 H ILE 70 H ILE 70 -6.397 1.354 7.632 547 HA ILE 70 HA ILE 70 -6.912 -1.458 7.421 548 HB ILE 70 HB ILE 70 -5.132 0.230 5.596 549 HG12 ILE 70 1HG1 ILE 70 -8.092 -0.448 5.278 550 HG13 ILE 70 2HG1 ILE 70 -7.482 1.109 5.824 551 HG21 ILE 70 1HG2 ILE 70 -6.490 -2.429 5.046 552 HG22 ILE 70 2HG2 ILE 70 -4.760 -2.185 5.283 553 HG23 ILE 70 3HG2 ILE 70 -5.562 -1.482 3.878 554 HD11 ILE 70 3HD1 ILE 70 -8.130 1.168 3.479 555 HD12 ILE 70 1HD1 ILE 70 -6.989 -0.127 3.114 556 HD13 ILE 70 2HD1 ILE 70 -6.397 1.446 3.655 557 H GLU 71 H GLU 71 -5.914 -2.816 8.691 558 HA GLU 71 HA GLU 71 -3.250 -2.865 9.664 559 HB2 GLU 71 1HB GLU 71 -3.533 -5.389 9.780 560 HB3 GLU 71 2HB GLU 71 -4.776 -4.473 10.630 561 HG2 GLU 71 1HG GLU 71 -6.348 -4.861 8.798 562 HG3 GLU 71 2HG GLU 71 -5.093 -5.659 7.851 563 H TYR 72 H TYR 72 -1.254 -3.884 8.741 564 HA TYR 72 HA TYR 72 -1.385 -4.480 5.868 565 HD1 TYR 72 HD1 TYR 72 -1.041 -1.115 8.433 566 HD2 TYR 72 HD2 TYR 72 2.370 -2.417 6.209 567 HE1 TYR 72 HE1 TYR 72 0.445 0.047 10.005 568 HE2 TYR 72 HE2 TYR 72 3.840 -1.244 7.779 569 HH TYR 72 HH TYR 72 3.717 0.656 9.324 570 HB2 TYR 72 1HB TYR 72 0.123 -2.668 5.259 571 HB3 TYR 72 2HB TYR 72 -1.276 -1.999 6.077 572 H ARG 73 H ARG 73 0.390 -5.532 5.007 573 HA ARG 73 HA ARG 73 2.586 -6.347 6.821 574 HE ARG 73 HE ARG 73 3.510 -9.400 6.760 575 HB2 ARG 73 1HB ARG 73 1.481 -7.717 4.329 576 HB3 ARG 73 2HB ARG 73 2.938 -8.235 5.175 577 HG2 ARG 73 1HG ARG 73 0.115 -8.231 6.297 578 HG3 ARG 73 2HG ARG 73 1.057 -9.640 5.795 579 HD2 ARG 73 1HD ARG 73 1.710 -7.772 8.092 580 HD3 ARG 73 2HD ARG 73 1.086 -9.417 8.231 581 HH11 ARG 73 1HH1 ARG 73 2.369 -9.165 10.073 582 HH12 ARG 73 2HH1 ARG 73 3.875 -9.687 10.745 583 HH21 ARG 73 1HH2 ARG 73 5.476 -10.050 7.658 584 HH22 ARG 73 2HH2 ARG 73 5.644 -10.175 9.381 585 H VAL 74 H VAL 74 4.499 -5.489 6.405 586 HA VAL 74 HA VAL 74 5.126 -4.134 3.885 587 HB VAL 74 HB VAL 74 6.789 -4.388 6.439 588 HG11 VAL 74 1HG1 VAL 74 7.321 -2.675 3.968 589 HG12 VAL 74 2HG1 VAL 74 8.232 -4.112 4.437 590 HG13 VAL 74 3HG1 VAL 74 8.280 -2.673 5.452 591 HG21 VAL 74 3HG2 VAL 74 4.741 -3.034 6.762 592 HG22 VAL 74 1HG2 VAL 74 5.199 -2.010 5.397 593 HG23 VAL 74 2HG2 VAL 74 6.190 -2.034 6.857 594 H ILE 75 H ILE 75 6.061 -5.218 2.325 595 HA ILE 75 HA ILE 75 7.576 -7.705 2.805 596 HB ILE 75 HB ILE 75 5.596 -7.034 0.566 597 HG12 ILE 75 1HG1 ILE 75 5.336 -9.159 2.756 598 HG13 ILE 75 2HG1 ILE 75 4.603 -7.567 2.869 599 HG21 ILE 75 1HG2 ILE 75 7.198 -9.586 0.969 600 HG22 ILE 75 2HG2 ILE 75 7.406 -8.414 -0.334 601 HG23 ILE 75 3HG2 ILE 75 5.920 -9.359 -0.228 602 HD11 ILE 75 3HD1 ILE 75 2.962 -9.161 2.243 603 HD12 ILE 75 1HD1 ILE 75 3.934 -9.723 0.877 604 HD13 ILE 75 2HD1 ILE 75 3.257 -8.090 0.871 605 H LEU 76 H LEU 76 9.599 -7.487 2.184 606 HA LEU 76 HA LEU 76 10.606 -5.137 0.947 607 HG LEU 76 HG LEU 76 11.221 -6.427 3.749 608 HB2 LEU 76 1HB LEU 76 11.963 -7.725 1.785 609 HB3 LEU 76 2HB LEU 76 12.834 -6.329 1.169 610 HD11 LEU 76 1HD1 LEU 76 14.212 -6.193 3.322 611 HD12 LEU 76 2HD1 LEU 76 13.349 -7.625 3.892 612 HD13 LEU 76 3HD1 LEU 76 13.371 -6.165 4.876 613 HD21 LEU 76 3HD2 LEU 76 12.780 -4.098 2.566 614 HD22 LEU 76 1HD2 LEU 76 12.041 -4.136 4.171 615 HD23 LEU 76 2HD2 LEU 76 11.027 -4.204 2.734 616 HA PRO 77 HA PRO 77 10.786 -6.487 -3.339 617 HB2 PRO 77 1HB PRO 77 12.510 -4.670 -4.348 618 HB3 PRO 77 2HB PRO 77 10.918 -4.197 -3.744 619 HG2 PRO 77 1HG PRO 77 13.593 -3.989 -2.373 620 HG3 PRO 77 2HG PRO 77 12.288 -2.783 -2.467 621 HD2 PRO 77 1HD PRO 77 12.680 -4.448 -0.298 622 HD3 PRO 77 2HD PRO 77 11.101 -3.764 -0.734 623 H LYS 78 H LYS 78 12.487 -6.926 -5.110 624 HA LYS 78 HA LYS 78 14.422 -8.853 -4.343 625 HB2 LYS 78 1HB LYS 78 15.044 -9.003 -6.657 626 HB3 LYS 78 2HB LYS 78 13.315 -8.702 -6.642 627 HG2 LYS 78 1HG LYS 78 15.390 -6.533 -7.137 628 HG3 LYS 78 2HG LYS 78 14.644 -7.475 -8.424 629 HD2 LYS 78 1HD LYS 78 12.455 -6.555 -7.911 630 HD3 LYS 78 2HD LYS 78 13.075 -5.750 -6.468 631 HE2 LYS 78 1HE LYS 78 12.746 -4.198 -8.401 632 HE3 LYS 78 2HE LYS 78 14.411 -4.236 -7.820 633 HZ1 LYS 78 3HZ LYS 78 13.443 -5.790 -10.163 634 HZ2 LYS 78 1HZ LYS 78 15.047 -5.587 -9.667 635 HZ3 LYS 78 2HZ LYS 78 14.174 -4.271 -10.278 636 H GLU 79 H GLU 79 14.528 -5.409 -4.802 637 HA GLU 79 HA GLU 79 17.432 -5.166 -4.865 638 HB2 GLU 79 1HB GLU 79 16.962 -2.736 -5.172 639 HB3 GLU 79 2HB GLU 79 16.094 -3.731 -6.337 640 HG2 GLU 79 1HG GLU 79 14.047 -3.538 -4.947 641 HG3 GLU 79 2HG GLU 79 14.919 -2.496 -3.832 642 H ALA 80 H ALA 80 15.501 -5.867 -2.376 643 HA ALA 80 HA ALA 80 16.164 -3.976 -0.352 644 HB1 ALA 80 3HB ALA 80 14.318 -5.593 -0.110 645 HB2 ALA 80 1HB ALA 80 15.452 -5.712 1.239 646 HB3 ALA 80 2HB ALA 80 15.476 -6.922 -0.049 Start of MODEL 11 1 H MET 1 H MET 1 -9.640 -1.587 7.011 2 HA MET 1 HA MET 1 -10.199 -3.373 4.747 3 HB2 MET 1 1HB MET 1 -9.051 -0.551 4.753 4 HB3 MET 1 2HB MET 1 -9.116 -1.606 3.338 5 HG2 MET 1 1HG MET 1 -10.931 -0.024 3.224 6 HG3 MET 1 2HG MET 1 -11.600 -1.628 3.507 7 HE1 MET 1 3HE MET 1 -14.134 0.643 5.492 8 HE2 MET 1 1HE MET 1 -13.997 -0.686 4.341 9 HE3 MET 1 2HE MET 1 -13.408 0.924 3.914 10 H SER 2 H SER 2 -8.024 -3.633 3.484 11 HA SER 2 HA SER 2 -5.904 -4.332 5.395 12 HG SER 2 HG SER 2 -7.116 -6.699 6.321 13 HB2 SER 2 1HB SER 2 -7.207 -6.385 3.541 14 HB3 SER 2 2HB SER 2 -5.827 -6.674 4.600 15 H ALA 3 H ALA 3 -3.832 -4.899 4.180 16 HA ALA 3 HA ALA 3 -3.832 -4.426 1.267 17 HB1 ALA 3 3HB ALA 3 -2.292 -2.637 3.204 18 HB2 ALA 3 1HB ALA 3 -3.730 -2.163 2.295 19 HB3 ALA 3 2HB ALA 3 -2.240 -2.553 1.442 20 H LYS 4 H LYS 4 -1.957 -4.973 0.209 21 HA LYS 4 HA LYS 4 0.322 -5.994 1.769 22 HB2 LYS 4 1HB LYS 4 1.032 -7.255 -0.258 23 HB3 LYS 4 2HB LYS 4 -0.512 -7.805 0.373 24 HG2 LYS 4 1HG LYS 4 -1.713 -6.675 -1.415 25 HG3 LYS 4 2HG LYS 4 -0.215 -5.948 -2.013 26 HD2 LYS 4 1HD LYS 4 0.660 -8.177 -2.594 27 HD3 LYS 4 2HD LYS 4 -0.791 -8.944 -1.934 28 HE2 LYS 4 1HE LYS 4 -0.720 -7.041 -4.307 29 HE3 LYS 4 2HE LYS 4 -0.856 -8.795 -4.404 30 HZ1 LYS 4 3HZ LYS 4 -3.008 -7.734 -4.624 31 HZ2 LYS 4 1HZ LYS 4 -2.822 -6.971 -3.124 32 HZ3 LYS 4 2HZ LYS 4 -2.956 -8.651 -3.195 33 H ILE 5 H ILE 5 2.016 -4.726 1.746 34 HA ILE 5 HA ILE 5 2.353 -2.599 -0.297 35 HB ILE 5 HB ILE 5 3.528 -2.785 2.527 36 HG12 ILE 5 1HG1 ILE 5 1.597 -0.738 1.367 37 HG13 ILE 5 2HG1 ILE 5 1.120 -2.071 2.412 38 HG21 ILE 5 1HG2 ILE 5 4.012 -0.617 0.439 39 HG22 ILE 5 2HG2 ILE 5 5.197 -1.800 0.998 40 HG23 ILE 5 3HG2 ILE 5 4.581 -0.575 2.111 41 HD11 ILE 5 3HD1 ILE 5 2.886 0.265 3.144 42 HD12 ILE 5 1HD1 ILE 5 2.491 -1.086 4.213 43 HD13 ILE 5 2HD1 ILE 5 1.218 -0.009 3.643 44 H TYR 6 H TYR 6 4.005 -2.925 -1.654 45 HA TYR 6 HA TYR 6 6.306 -4.590 -0.959 46 HD1 TYR 6 HD1 TYR 6 2.442 -5.480 -2.050 47 HD2 TYR 6 HD2 TYR 6 5.253 -5.124 -5.246 48 HE1 TYR 6 HE1 TYR 6 0.593 -5.120 -3.627 49 HE2 TYR 6 HE2 TYR 6 3.403 -4.755 -6.830 50 HH TYR 6 HH TYR 6 0.146 -4.189 -5.795 51 HB2 TYR 6 1HB TYR 6 5.990 -5.967 -3.082 52 HB3 TYR 6 2HB TYR 6 4.825 -6.311 -1.811 53 H ARG 7 H ARG 7 7.798 -4.642 -2.953 54 HA ARG 7 HA ARG 7 7.547 -2.286 -4.702 55 HE ARG 7 HE ARG 7 11.517 1.094 -4.963 56 HB2 ARG 7 1HB ARG 7 8.998 -1.697 -2.726 57 HB3 ARG 7 2HB ARG 7 10.090 -2.987 -3.191 58 HG2 ARG 7 1HG ARG 7 10.567 -1.808 -5.328 59 HG3 ARG 7 2HG ARG 7 9.466 -0.519 -4.846 60 HD2 ARG 7 1HD ARG 7 10.879 -0.038 -2.884 61 HD3 ARG 7 2HD ARG 7 11.966 -1.341 -3.350 62 HH11 ARG 7 1HH1 ARG 7 13.719 -1.399 -3.786 63 HH12 ARG 7 2HH1 ARG 7 15.111 -0.651 -4.489 64 HH21 ARG 7 1HH2 ARG 7 13.346 2.052 -5.856 65 HH22 ARG 7 2HH2 ARG 7 14.903 1.310 -5.658 66 HA PRO 8 HA PRO 8 8.188 -6.234 -6.786 67 HB2 PRO 8 1HB PRO 8 6.736 -5.776 -8.989 68 HB3 PRO 8 2HB PRO 8 5.969 -5.864 -7.397 69 HG2 PRO 8 1HG PRO 8 6.728 -3.430 -9.000 70 HG3 PRO 8 2HG PRO 8 5.220 -3.758 -8.120 71 HD2 PRO 8 1HD PRO 8 7.310 -2.242 -7.104 72 HD3 PRO 8 2HD PRO 8 6.110 -3.090 -6.101 73 H ALA 9 H ALA 9 8.801 -7.020 -9.028 74 HA ALA 9 HA ALA 9 11.104 -5.598 -10.123 75 HB1 ALA 9 3HB ALA 9 9.899 -8.280 -10.908 76 HB2 ALA 9 1HB ALA 9 11.233 -8.040 -9.778 77 HB3 ALA 9 2HB ALA 9 11.436 -7.625 -11.482 78 H LYS 10 H LYS 10 7.736 -6.071 -10.803 79 HA LYS 10 HA LYS 10 7.766 -4.015 -12.804 80 HB2 LYS 10 1HB LYS 10 6.683 -5.239 -14.616 81 HB3 LYS 10 2HB LYS 10 8.220 -5.994 -14.251 82 HG2 LYS 10 1HG LYS 10 5.579 -7.076 -13.212 83 HG3 LYS 10 2HG LYS 10 6.259 -7.549 -14.768 84 HD2 LYS 10 1HD LYS 10 7.518 -7.993 -12.031 85 HD3 LYS 10 2HD LYS 10 6.787 -9.222 -13.068 86 HE2 LYS 10 1HE LYS 10 8.537 -8.760 -14.787 87 HE3 LYS 10 2HE LYS 10 9.289 -7.606 -13.683 88 HZ1 LYS 10 3HZ LYS 10 9.555 -9.491 -12.109 89 HZ2 LYS 10 1HZ LYS 10 10.432 -9.674 -13.547 90 HZ3 LYS 10 2HZ LYS 10 8.996 -10.533 -13.311 91 H THR 11 H THR 11 5.640 -3.326 -13.345 92 HA THR 11 HA THR 11 3.260 -4.184 -12.048 93 HB THR 11 HB THR 11 4.430 -3.309 -10.016 94 HG1 THR 11 HG1 THR 11 2.294 -3.073 -9.786 95 HG21 THR 11 3HG2 THR 11 4.873 -0.906 -9.723 96 HG22 THR 11 1HG2 THR 11 4.432 -0.614 -11.409 97 HG23 THR 11 2HG2 THR 11 5.855 -1.584 -11.023 98 H ALA 12 H ALA 12 1.888 -1.677 -12.005 99 HA ALA 12 HA ALA 12 1.425 -0.907 -14.643 100 HB1 ALA 12 3HB ALA 12 1.097 0.782 -12.125 101 HB2 ALA 12 1HB ALA 12 -0.106 -0.333 -12.788 102 HB3 ALA 12 2HB ALA 12 0.351 1.112 -13.690 103 H MET 13 H MET 13 3.058 -0.296 -15.964 104 HA MET 13 HA MET 13 5.502 0.855 -15.067 105 HB2 MET 13 1HB MET 13 4.464 0.501 -17.907 106 HB3 MET 13 2HB MET 13 6.118 0.915 -17.475 107 HG2 MET 13 1HG MET 13 6.352 -1.256 -16.318 108 HG3 MET 13 2HG MET 13 4.704 -1.675 -16.778 109 HE1 MET 13 3HE MET 13 5.064 -1.914 -20.712 110 HE2 MET 13 1HE MET 13 4.592 -0.487 -19.791 111 HE3 MET 13 2HE MET 13 3.952 -2.073 -19.354 112 H GLN 14 H GLN 14 5.254 2.814 -14.133 113 HA GLN 14 HA GLN 14 3.982 5.031 -15.661 114 HB2 GLN 14 1HB GLN 14 4.145 4.608 -12.643 115 HB3 GLN 14 2HB GLN 14 3.517 6.062 -13.409 116 HG2 GLN 14 1HG GLN 14 2.335 3.275 -13.599 117 HG3 GLN 14 2HG GLN 14 1.699 4.619 -12.655 118 HE21 GLN 14 2HE2 GLN 14 1.949 3.198 -15.815 119 HE22 GLN 14 1HE2 GLN 14 0.878 4.285 -16.625 120 H SER 15 H SER 15 6.333 4.526 -12.997 121 HA SER 15 HA SER 15 8.215 6.453 -14.209 122 HG SER 15 HG SER 15 7.504 6.270 -10.404 123 HB2 SER 15 1HB SER 15 8.505 7.444 -11.867 124 HB3 SER 15 2HB SER 15 6.964 7.807 -12.645 125 H GLY 16 H GLY 16 9.786 4.990 -14.650 126 HA2 GLY 16 1HA GLY 16 11.486 3.460 -14.356 127 HA3 GLY 16 2HA GLY 16 11.255 3.589 -12.611 128 H THR 17 H THR 17 9.805 2.238 -11.571 129 HA THR 17 HA THR 17 8.529 0.458 -11.077 130 HB THR 17 HB THR 17 6.467 0.165 -12.581 131 HG1 THR 17 HG1 THR 17 7.754 1.102 -14.453 132 HG21 THR 17 3HG2 THR 17 6.445 1.676 -10.614 133 HG22 THR 17 1HG2 THR 17 5.496 2.349 -11.942 134 HG23 THR 17 2HG2 THR 17 7.109 2.980 -11.604 135 H ALA 18 H ALA 18 10.930 -0.216 -12.650 136 HA ALA 18 HA ALA 18 10.246 -3.003 -13.134 137 HB1 ALA 18 3HB ALA 18 9.917 -1.987 -15.363 138 HB2 ALA 18 1HB ALA 18 11.277 -3.113 -15.356 139 HB3 ALA 18 2HB ALA 18 11.571 -1.373 -15.328 140 H LYS 19 H LYS 19 13.154 -1.202 -14.220 141 HA LYS 19 HA LYS 19 14.966 -2.912 -12.777 142 HB2 LYS 19 1HB LYS 19 15.471 -0.279 -14.240 143 HB3 LYS 19 2HB LYS 19 16.733 -1.352 -13.633 144 HG2 LYS 19 1HG LYS 19 15.957 -3.129 -15.153 145 HG3 LYS 19 2HG LYS 19 14.696 -2.054 -15.769 146 HD2 LYS 19 1HD LYS 19 16.423 -0.505 -16.620 147 HD3 LYS 19 2HD LYS 19 17.693 -1.547 -15.964 148 HE2 LYS 19 1HE LYS 19 15.701 -2.358 -18.106 149 HE3 LYS 19 2HE LYS 19 17.369 -1.869 -18.396 150 HZ1 LYS 19 3HZ LYS 19 16.535 -4.221 -16.782 151 HZ2 LYS 19 1HZ LYS 19 18.125 -3.768 -17.130 152 HZ3 LYS 19 2HZ LYS 19 17.101 -4.281 -18.376 153 H THR 20 H THR 20 14.559 0.636 -12.621 154 HA THR 20 HA THR 20 14.778 0.620 -9.701 155 HB THR 20 HB THR 20 15.880 2.495 -10.815 156 HG1 THR 20 HG1 THR 20 13.554 3.679 -9.713 157 HG21 THR 20 3HG2 THR 20 14.560 2.619 -12.900 158 HG22 THR 20 1HG2 THR 20 14.639 4.198 -12.112 159 HG23 THR 20 2HG2 THR 20 13.173 3.226 -11.992 160 H ASN 21 H ASN 21 12.970 1.119 -8.375 161 HA ASN 21 HA ASN 21 10.330 1.333 -9.606 162 HB2 ASN 21 1HB ASN 21 11.098 -1.193 -9.327 163 HB3 ASN 21 2HB ASN 21 10.698 -0.945 -7.634 164 HD21 ASN 21 2HD2 ASN 21 9.498 -2.567 -9.899 165 HD22 ASN 21 1HD2 ASN 21 7.814 -2.200 -9.847 166 H VAL 22 H VAL 22 8.678 1.812 -8.024 167 HA VAL 22 HA VAL 22 9.656 2.862 -5.419 168 HB VAL 22 HB VAL 22 7.597 4.288 -5.409 169 HG11 VAL 22 1HG1 VAL 22 8.345 5.923 -7.116 170 HG12 VAL 22 2HG1 VAL 22 9.354 4.677 -7.861 171 HG13 VAL 22 3HG1 VAL 22 9.711 5.233 -6.226 172 HG21 VAL 22 3HG2 VAL 22 7.169 3.266 -8.251 173 HG22 VAL 22 1HG2 VAL 22 6.253 4.566 -7.476 174 HG23 VAL 22 2HG2 VAL 22 6.139 2.918 -6.860 175 H TRP 23 H TRP 23 7.483 2.848 -3.884 176 HA TRP 23 HA TRP 23 7.008 -0.013 -3.501 177 HD1 TRP 23 HD1 TRP 23 9.416 2.580 -1.991 178 HE1 TRP 23 HE1 TRP 23 11.285 1.276 -0.829 179 HE3 TRP 23 HE3 TRP 23 6.688 -1.381 -0.247 180 HZ2 TRP 23 HZ2 TRP 23 11.594 -1.126 0.630 181 HZ3 TRP 23 HZ3 TRP 23 7.838 -3.147 1.024 182 HH2 TRP 23 HH2 TRP 23 10.245 -3.017 1.450 183 HB2 TRP 23 1HB TRP 23 6.673 2.396 -1.669 184 HB3 TRP 23 2HB TRP 23 6.066 0.795 -1.247 185 H VAL 24 H VAL 24 5.116 -0.855 -4.039 186 HA VAL 24 HA VAL 24 2.852 0.871 -4.758 187 HB VAL 24 HB VAL 24 3.342 -2.087 -5.349 188 HG11 VAL 24 1HG1 VAL 24 1.445 -1.908 -6.925 189 HG12 VAL 24 2HG1 VAL 24 1.172 -0.242 -6.414 190 HG13 VAL 24 3HG1 VAL 24 0.933 -1.566 -5.270 191 HG21 VAL 24 3HG2 VAL 24 3.618 0.297 -7.214 192 HG22 VAL 24 1HG2 VAL 24 3.803 -1.401 -7.671 193 HG23 VAL 24 2HG2 VAL 24 4.951 -0.655 -6.555 194 H LEU 25 H LEU 25 0.977 0.748 -3.641 195 HA LEU 25 HA LEU 25 0.710 -1.104 -1.360 196 HG LEU 25 HG LEU 25 -0.125 -0.048 0.900 197 HB2 LEU 25 1HB LEU 25 1.009 1.409 -0.821 198 HB3 LEU 25 2HB LEU 25 -0.542 1.681 -1.590 199 HD11 LEU 25 1HD1 LEU 25 0.357 2.292 1.385 200 HD12 LEU 25 2HD1 LEU 25 -1.133 1.777 2.171 201 HD13 LEU 25 3HD1 LEU 25 -1.206 2.776 0.714 202 HD21 LEU 25 3HD2 LEU 25 -2.720 0.922 -0.360 203 HD22 LEU 25 1HD2 LEU 25 -2.580 0.082 1.191 204 HD23 LEU 25 2HD2 LEU 25 -2.144 -0.746 -0.300 205 H GLU 26 H GLU 26 -0.599 -2.601 -2.068 206 HA GLU 26 HA GLU 26 -2.974 -1.828 -3.709 207 HB2 GLU 26 1HB GLU 26 -1.354 -3.591 -4.698 208 HB3 GLU 26 2HB GLU 26 -1.915 -4.680 -3.432 209 HG2 GLU 26 1HG GLU 26 -4.217 -4.518 -4.268 210 HG3 GLU 26 2HG GLU 26 -3.718 -3.332 -5.474 211 H PHE 27 H PHE 27 -4.956 -2.103 -2.714 212 HA PHE 27 HA PHE 27 -5.081 -3.695 -0.239 213 HD1 PHE 27 HD2 PHE 27 -4.494 0.155 -1.713 214 HD2 PHE 27 HD1 PHE 27 -7.848 -0.443 0.873 215 HE1 PHE 27 HE2 PHE 27 -5.483 2.257 -2.486 216 HE2 PHE 27 HE1 PHE 27 -8.821 1.673 0.094 217 HZ PHE 27 HZ PHE 27 -7.639 3.025 -1.586 218 HB2 PHE 27 1HB PHE 27 -5.984 -1.866 1.075 219 HB3 PHE 27 2HB PHE 27 -4.437 -1.389 0.411 220 H ASP 28 H ASP 28 -7.059 -4.418 0.424 221 HA ASP 28 HA ASP 28 -9.343 -4.548 -1.208 222 HB2 ASP 28 1HB ASP 28 -8.798 -5.953 0.841 223 HB3 ASP 28 2HB ASP 28 -9.237 -4.571 1.838 224 H ALA 29 H ALA 29 -10.213 -2.710 -1.998 225 HA ALA 29 HA ALA 29 -9.729 -0.140 -1.155 226 HB1 ALA 29 3HB ALA 29 -11.397 0.570 -2.796 227 HB2 ALA 29 1HB ALA 29 -12.030 -1.079 -2.874 228 HB3 ALA 29 2HB ALA 29 -10.392 -0.734 -3.432 229 H GLU 30 H GLU 30 -10.758 1.408 -0.005 230 HA GLU 30 HA GLU 30 -12.795 0.643 1.933 231 HB2 GLU 30 1HB GLU 30 -12.329 2.868 2.948 232 HB3 GLU 30 2HB GLU 30 -10.867 1.913 2.736 233 HG2 GLU 30 1HG GLU 30 -10.216 3.233 0.805 234 HG3 GLU 30 2HG GLU 30 -11.744 4.114 0.841 235 H VAL 31 H VAL 31 -13.496 0.929 -0.955 236 HA VAL 31 HA VAL 31 -15.053 3.253 -1.367 237 HB VAL 31 HB VAL 31 -14.277 1.934 -3.267 238 HG11 VAL 31 1HG1 VAL 31 -15.159 -0.297 -3.838 239 HG12 VAL 31 2HG1 VAL 31 -16.074 -0.327 -2.329 240 HG13 VAL 31 3HG1 VAL 31 -14.309 -0.316 -2.290 241 HG21 VAL 31 3HG2 VAL 31 -16.312 3.267 -3.603 242 HG22 VAL 31 1HG2 VAL 31 -17.313 1.898 -3.121 243 HG23 VAL 31 2HG2 VAL 31 -16.360 1.816 -4.607 244 HA PRO 32 HA PRO 32 -18.237 2.084 1.570 245 HB2 PRO 32 1HB PRO 32 -19.836 4.261 1.408 246 HB3 PRO 32 2HB PRO 32 -18.190 4.379 2.053 247 HG2 PRO 32 1HG PRO 32 -19.176 5.021 -0.731 248 HG3 PRO 32 2HG PRO 32 -18.129 5.988 0.329 249 HD2 PRO 32 1HD PRO 32 -17.130 4.391 -1.663 250 HD3 PRO 32 2HD PRO 32 -16.240 4.725 -0.160 251 H ARG 33 H ARG 33 -20.775 2.209 1.653 252 HA ARG 33 HA ARG 33 -21.843 0.430 -0.288 253 HE ARG 33 HE ARG 33 -23.220 1.401 4.639 254 HB2 ARG 33 1HB ARG 33 -23.974 0.677 0.918 255 HB3 ARG 33 2HB ARG 33 -22.638 0.463 2.045 256 HG2 ARG 33 1HG ARG 33 -22.641 2.871 2.549 257 HG3 ARG 33 2HG ARG 33 -23.935 3.132 1.375 258 HD2 ARG 33 1HD ARG 33 -24.798 3.068 3.688 259 HD3 ARG 33 2HD ARG 33 -25.461 1.750 2.715 260 HH11 ARG 33 1HH1 ARG 33 -26.207 0.211 3.220 261 HH12 ARG 33 2HH1 ARG 33 -26.259 -1.206 4.214 262 HH21 ARG 33 1HH2 ARG 33 -23.286 -0.484 5.925 263 HH22 ARG 33 2HH2 ARG 33 -24.599 -1.601 5.747 264 H LYS 34 H LYS 34 -21.500 3.829 -0.302 265 HA LYS 34 HA LYS 34 -23.692 4.520 -2.029 266 HB2 LYS 34 1HB LYS 34 -21.219 6.005 -1.070 267 HB3 LYS 34 2HB LYS 34 -22.326 6.720 -2.234 268 HG2 LYS 34 1HG LYS 34 -23.034 5.879 0.600 269 HG3 LYS 34 2HG LYS 34 -22.764 7.532 0.032 270 HD2 LYS 34 1HD LYS 34 -24.698 7.084 -1.637 271 HD3 LYS 34 2HD LYS 34 -25.049 5.652 -0.665 272 HE2 LYS 34 1HE LYS 34 -25.088 8.543 0.283 273 HE3 LYS 34 2HE LYS 34 -26.486 7.502 0.019 274 HZ1 LYS 34 3HZ LYS 34 -25.600 6.037 1.791 275 HZ2 LYS 34 1HZ LYS 34 -26.009 7.583 2.340 276 HZ3 LYS 34 2HZ LYS 34 -24.390 7.175 2.094 277 H ILE 35 H ILE 35 -21.775 2.368 -3.030 278 HA ILE 35 HA ILE 35 -20.484 3.305 -5.341 279 HB ILE 35 HB ILE 35 -20.818 0.973 -6.279 280 HG12 ILE 35 1HG1 ILE 35 -22.125 0.355 -3.586 281 HG13 ILE 35 2HG1 ILE 35 -22.976 0.408 -5.126 282 HG21 ILE 35 1HG2 ILE 35 -19.278 -0.119 -4.705 283 HG22 ILE 35 2HG2 ILE 35 -19.615 1.123 -3.501 284 HG23 ILE 35 3HG2 ILE 35 -18.813 1.555 -5.012 285 HD11 ILE 35 3HD1 ILE 35 -20.811 -1.548 -4.346 286 HD12 ILE 35 1HD1 ILE 35 -21.591 -1.470 -5.929 287 HD13 ILE 35 2HD1 ILE 35 -22.538 -1.875 -4.498 288 H ASP 36 H ASP 36 -21.252 4.107 -7.152 289 HA ASP 36 HA ASP 36 -23.978 4.885 -7.338 290 HB2 ASP 36 1HB ASP 36 -22.224 6.372 -8.131 291 HB3 ASP 36 2HB ASP 36 -21.651 5.165 -9.255 292 HA PRO 37 HA PRO 37 -25.691 1.191 -9.376 293 HB2 PRO 37 1HB PRO 37 -27.841 2.549 -10.591 294 HB3 PRO 37 2HB PRO 37 -27.839 1.937 -8.931 295 HG2 PRO 37 1HG PRO 37 -27.100 4.709 -9.916 296 HG3 PRO 37 2HG PRO 37 -28.211 4.257 -8.594 297 HD2 PRO 37 1HD PRO 37 -25.791 5.014 -7.961 298 HD3 PRO 37 2HD PRO 37 -26.395 3.512 -7.208 299 H ILE 38 H ILE 38 -24.880 4.173 -11.042 300 HA ILE 38 HA ILE 38 -25.015 3.038 -13.723 301 HB ILE 38 HB ILE 38 -23.815 5.722 -12.904 302 HG12 ILE 38 1HG1 ILE 38 -26.078 5.630 -11.975 303 HG13 ILE 38 2HG1 ILE 38 -26.020 6.765 -13.317 304 HG21 ILE 38 1HG2 ILE 38 -24.979 4.804 -15.560 305 HG22 ILE 38 2HG2 ILE 38 -23.273 5.069 -15.197 306 HG23 ILE 38 3HG2 ILE 38 -24.392 6.432 -15.205 307 HD11 ILE 38 3HD1 ILE 38 -28.082 5.504 -13.361 308 HD12 ILE 38 1HD1 ILE 38 -27.200 3.980 -13.384 309 HD13 ILE 38 2HD1 ILE 38 -27.111 5.073 -14.767 310 H MET 39 H MET 39 -22.461 4.339 -11.544 311 HA MET 39 HA MET 39 -20.405 2.677 -12.899 312 HB2 MET 39 1HB MET 39 -20.119 5.610 -12.101 313 HB3 MET 39 2HB MET 39 -18.787 4.588 -12.620 314 HG2 MET 39 1HG MET 39 -19.860 4.338 -14.833 315 HG3 MET 39 2HG MET 39 -21.171 5.398 -14.298 316 HE1 MET 39 3HE MET 39 -20.702 6.925 -16.473 317 HE2 MET 39 1HE MET 39 -19.343 5.907 -16.958 318 HE3 MET 39 2HE MET 39 -19.136 7.652 -16.836 319 H GLY 40 H GLY 40 -20.002 1.205 -11.329 320 HA2 GLY 40 1HA GLY 40 -18.428 1.104 -9.303 321 HA3 GLY 40 2HA GLY 40 -19.667 2.064 -8.500 322 H TYR 41 H TYR 41 -21.925 0.908 -9.555 323 HA TYR 41 HA TYR 41 -21.919 -1.843 -8.469 324 HD1 TYR 41 HD1 TYR 41 -23.347 -2.949 -6.771 325 HD2 TYR 41 HD2 TYR 41 -26.303 -0.955 -9.139 326 HE1 TYR 41 HE1 TYR 41 -24.908 -4.802 -6.385 327 HE2 TYR 41 HE2 TYR 41 -27.865 -2.817 -8.744 328 HH TYR 41 HH TYR 41 -27.376 -5.177 -6.380 329 HB2 TYR 41 1HB TYR 41 -23.401 -0.266 -7.266 330 HB3 TYR 41 2HB TYR 41 -24.223 0.136 -8.772 331 H THR 42 H THR 42 -21.399 -3.040 -10.238 332 HA THR 42 HA THR 42 -23.325 -3.086 -12.491 333 HB THR 42 HB THR 42 -21.470 -3.667 -14.077 334 HG1 THR 42 HG1 THR 42 -19.712 -2.847 -11.998 335 HG21 THR 42 3HG2 THR 42 -21.005 -0.993 -12.702 336 HG22 THR 42 1HG2 THR 42 -22.185 -1.302 -13.978 337 HG23 THR 42 2HG2 THR 42 -20.460 -1.431 -14.324 338 H SER 43 H SER 43 -23.235 -5.242 -13.662 339 HA SER 43 HA SER 43 -23.527 -7.421 -11.873 340 HG SER 43 HG SER 43 -24.142 -9.354 -13.001 341 HB2 SER 43 1HB SER 43 -24.726 -7.230 -14.057 342 HB3 SER 43 2HB SER 43 -23.205 -7.493 -14.910 343 H SER 44 H SER 44 -21.067 -6.904 -14.434 344 HA SER 44 HA SER 44 -19.196 -8.771 -13.243 345 HG SER 44 HG SER 44 -19.607 -9.602 -15.364 346 HB2 SER 44 1HB SER 44 -18.886 -6.877 -15.614 347 HB3 SER 44 2HB SER 44 -17.706 -8.097 -15.126 348 H SER 45 H SER 45 -19.018 -7.824 -11.213 349 HA SER 45 HA SER 45 -16.806 -6.047 -10.871 350 HG SER 45 HG SER 45 -17.123 -3.578 -9.935 351 HB2 SER 45 1HB SER 45 -18.718 -4.398 -11.196 352 HB3 SER 45 2HB SER 45 -19.511 -5.089 -9.786 353 H ASP 46 H ASP 46 -16.798 -5.595 -8.265 354 HA ASP 46 HA ASP 46 -17.462 -8.179 -6.932 355 HB2 ASP 46 1HB ASP 46 -14.967 -7.550 -7.323 356 HB3 ASP 46 2HB ASP 46 -15.203 -6.277 -6.135 357 H MET 47 H MET 47 -17.514 -7.731 -4.383 358 HA MET 47 HA MET 47 -19.391 -5.774 -3.604 359 HB2 MET 47 1HB MET 47 -18.867 -7.805 -2.282 360 HB3 MET 47 2HB MET 47 -17.247 -7.199 -1.970 361 HG2 MET 47 1HG MET 47 -18.239 -5.298 -0.697 362 HG3 MET 47 2HG MET 47 -19.841 -5.997 -0.956 363 HE1 MET 47 3HE MET 47 -19.138 -6.737 2.871 364 HE2 MET 47 1HE MET 47 -20.256 -5.994 1.725 365 HE3 MET 47 2HE MET 47 -18.652 -5.302 1.969 366 H LYS 48 H LYS 48 -15.847 -5.854 -3.525 367 HA LYS 48 HA LYS 48 -15.624 -2.985 -3.891 368 HB2 LYS 48 1HB LYS 48 -14.061 -2.596 -2.002 369 HB3 LYS 48 2HB LYS 48 -15.650 -3.058 -1.423 370 HG2 LYS 48 1HG LYS 48 -13.351 -5.026 -1.625 371 HG3 LYS 48 2HG LYS 48 -13.651 -4.044 -0.189 372 HD2 LYS 48 1HD LYS 48 -15.847 -5.075 0.114 373 HD3 LYS 48 2HD LYS 48 -15.678 -5.971 -1.396 374 HE2 LYS 48 1HE LYS 48 -13.793 -7.226 -0.438 375 HE3 LYS 48 2HE LYS 48 -13.954 -6.331 1.073 376 HZ1 LYS 48 3HZ LYS 48 -16.237 -7.248 1.229 377 HZ2 LYS 48 1HZ LYS 48 -15.018 -8.420 1.309 378 HZ3 LYS 48 2HZ LYS 48 -15.906 -8.224 -0.112 379 H GLN 49 H GLN 49 -13.713 -2.446 -4.926 380 HA GLN 49 HA GLN 49 -12.299 -4.578 -6.283 381 HB2 GLN 49 1HB GLN 49 -11.180 -2.694 -7.502 382 HB3 GLN 49 2HB GLN 49 -12.936 -2.586 -7.530 383 HG2 GLN 49 1HG GLN 49 -12.810 -0.921 -5.666 384 HG3 GLN 49 2HG GLN 49 -11.053 -0.962 -5.806 385 HE21 GLN 49 2HE2 GLN 49 -12.996 1.249 -6.225 386 HE22 GLN 49 1HE2 GLN 49 -12.688 1.839 -7.820 387 H GLN 50 H GLN 50 -9.788 -4.113 -6.603 388 HA GLN 50 HA GLN 50 -8.488 -3.414 -4.047 389 HB2 GLN 50 1HB GLN 50 -6.866 -5.217 -4.220 390 HB3 GLN 50 2HB GLN 50 -8.478 -5.896 -4.220 391 HG2 GLN 50 1HG GLN 50 -6.655 -5.634 -6.636 392 HG3 GLN 50 2HG GLN 50 -6.977 -7.109 -5.729 393 HE21 GLN 50 2HE2 GLN 50 -8.279 -4.798 -7.993 394 HE22 GLN 50 1HE2 GLN 50 -9.610 -5.765 -8.521 395 H VAL 51 H VAL 51 -7.946 -1.380 -4.708 396 HA VAL 51 HA VAL 51 -6.666 -0.920 -7.287 397 HB VAL 51 HB VAL 51 -8.639 0.429 -6.540 398 HG11 VAL 51 1HG1 VAL 51 -8.221 0.520 -4.129 399 HG12 VAL 51 2HG1 VAL 51 -8.447 2.139 -4.789 400 HG13 VAL 51 3HG1 VAL 51 -6.824 1.573 -4.399 401 HG21 VAL 51 3HG2 VAL 51 -7.098 1.378 -8.207 402 HG22 VAL 51 1HG2 VAL 51 -6.134 2.110 -6.916 403 HG23 VAL 51 2HG2 VAL 51 -7.794 2.645 -7.196 404 H LYS 52 H LYS 52 -4.806 0.818 -7.188 405 HA LYS 52 HA LYS 52 -2.993 0.212 -4.959 406 HB2 LYS 52 1HB LYS 52 -1.109 -0.301 -6.501 407 HB3 LYS 52 2HB LYS 52 -2.394 -1.500 -6.552 408 HG2 LYS 52 1HG LYS 52 -3.157 -0.721 -8.688 409 HG3 LYS 52 2HG LYS 52 -2.125 0.708 -8.603 410 HD2 LYS 52 1HD LYS 52 -1.214 -1.039 -10.137 411 HD3 LYS 52 2HD LYS 52 -0.112 -0.653 -8.815 412 HE2 LYS 52 1HE LYS 52 -0.192 -3.079 -9.238 413 HE3 LYS 52 2HE LYS 52 -0.804 -2.704 -7.630 414 HZ1 LYS 52 3HZ LYS 52 -2.422 -3.339 -10.033 415 HZ2 LYS 52 1HZ LYS 52 -3.062 -2.874 -8.543 416 HZ3 LYS 52 2HZ LYS 52 -2.206 -4.322 -8.669 417 H LEU 53 H LEU 53 -1.550 1.687 -4.482 418 HA LEU 53 HA LEU 53 -1.388 4.236 -5.997 419 HG LEU 53 HG LEU 53 -3.165 5.638 -4.770 420 HB2 LEU 53 1HB LEU 53 -1.495 3.835 -2.972 421 HB3 LEU 53 2HB LEU 53 -0.878 5.303 -3.702 422 HD11 LEU 53 1HD1 LEU 53 -4.049 3.371 -4.639 423 HD12 LEU 53 2HD1 LEU 53 -5.103 4.502 -3.799 424 HD13 LEU 53 3HD1 LEU 53 -4.034 3.445 -2.874 425 HD21 LEU 53 3HD2 LEU 53 -3.088 5.623 -1.742 426 HD22 LEU 53 1HD2 LEU 53 -4.183 6.570 -2.752 427 HD23 LEU 53 2HD2 LEU 53 -2.450 6.899 -2.784 428 H THR 54 H THR 54 0.715 5.255 -5.902 429 HA THR 54 HA THR 54 2.939 3.411 -5.193 430 HB THR 54 HB THR 54 4.208 4.632 -7.070 431 HG1 THR 54 HG1 THR 54 3.179 6.064 -8.234 432 HG21 THR 54 3HG2 THR 54 3.268 3.226 -8.854 433 HG22 THR 54 1HG2 THR 54 1.816 2.949 -7.886 434 HG23 THR 54 2HG2 THR 54 3.374 2.322 -7.341 435 H PHE 55 H PHE 55 4.527 4.168 -3.953 436 HA PHE 55 HA PHE 55 4.730 7.029 -3.218 437 HD1 PHE 55 HD1 PHE 55 3.096 7.946 -0.767 438 HD2 PHE 55 HD2 PHE 55 2.504 3.807 -1.705 439 HE1 PHE 55 HE1 PHE 55 0.681 8.180 -0.352 440 HE2 PHE 55 HE2 PHE 55 0.097 4.068 -1.284 441 HZ PHE 55 HZ PHE 55 -0.818 6.249 -0.609 442 HB2 PHE 55 1HB PHE 55 4.764 4.674 -1.259 443 HB3 PHE 55 2HB PHE 55 5.012 6.362 -0.837 444 H GLU 56 H GLU 56 6.901 7.627 -2.567 445 HA GLU 56 HA GLU 56 8.879 6.262 -4.134 446 HB2 GLU 56 1HB GLU 56 9.382 8.540 -2.186 447 HB3 GLU 56 2HB GLU 56 10.396 8.055 -3.536 448 HG2 GLU 56 1HG GLU 56 7.658 9.344 -3.675 449 HG3 GLU 56 2HG GLU 56 9.198 10.082 -4.093 450 H THR 57 H THR 57 8.013 6.168 -0.765 451 HA THR 57 HA THR 57 10.145 4.199 -0.211 452 HB THR 57 HB THR 57 10.487 5.109 2.084 453 HG1 THR 57 HG1 THR 57 9.608 7.214 2.564 454 HG21 THR 57 3HG2 THR 57 11.765 7.147 1.527 455 HG22 THR 57 1HG2 THR 57 10.974 7.226 -0.049 456 HG23 THR 57 2HG2 THR 57 12.051 5.879 0.336 457 H GLN 58 H GLN 58 9.612 2.787 1.643 458 HA GLN 58 HA GLN 58 6.953 1.875 1.718 459 HB2 GLN 58 1HB GLN 58 8.982 0.501 2.304 460 HB3 GLN 58 2HB GLN 58 9.089 1.379 3.828 461 HG2 GLN 58 1HG GLN 58 6.743 0.525 4.365 462 HG3 GLN 58 2HG GLN 58 6.859 -0.480 2.922 463 HE21 GLN 58 2HE2 GLN 58 8.041 -0.003 6.175 464 HE22 GLN 58 1HE2 GLN 58 8.809 -1.539 6.324 465 H GLU 59 H GLU 59 8.751 4.092 3.839 466 HA GLU 59 HA GLU 59 7.084 4.411 6.007 467 HB2 GLU 59 1HB GLU 59 8.636 6.574 4.521 468 HB3 GLU 59 2HB GLU 59 7.958 6.769 6.135 469 HG2 GLU 59 1HG GLU 59 9.439 4.964 6.954 470 HG3 GLU 59 2HG GLU 59 10.129 4.815 5.340 471 H GLN 60 H GLN 60 6.881 6.054 2.862 472 HA GLN 60 HA GLN 60 4.696 7.770 3.550 473 HB2 GLN 60 1HB GLN 60 5.890 7.015 0.849 474 HB3 GLN 60 2HB GLN 60 4.690 8.287 1.086 475 HG2 GLN 60 1HG GLN 60 6.260 9.538 2.502 476 HG3 GLN 60 2HG GLN 60 7.459 8.257 2.343 477 HE21 GLN 60 2HE2 GLN 60 8.532 7.993 0.358 478 HE22 GLN 60 1HE2 GLN 60 8.575 9.265 -0.807 479 H ALA 61 H ALA 61 4.931 4.494 2.176 480 HA ALA 61 HA ALA 61 2.184 4.341 1.324 481 HB1 ALA 61 3HB ALA 61 2.717 1.963 0.918 482 HB2 ALA 61 1HB ALA 61 4.276 2.161 1.731 483 HB3 ALA 61 2HB ALA 61 3.948 3.020 0.222 484 H GLU 62 H GLU 62 4.041 3.494 4.202 485 HA GLU 62 HA GLU 62 1.970 1.698 5.187 486 HB2 GLU 62 1HB GLU 62 3.396 1.182 7.058 487 HB3 GLU 62 2HB GLU 62 4.319 1.081 5.567 488 HG2 GLU 62 1HG GLU 62 5.390 3.209 6.061 489 HG3 GLU 62 2HG GLU 62 4.421 3.396 7.521 490 H ALA 63 H ALA 63 3.358 4.840 6.113 491 HA ALA 63 HA ALA 63 1.665 5.448 8.250 492 HB1 ALA 63 3HB ALA 63 3.766 6.646 7.826 493 HB2 ALA 63 1HB ALA 63 2.417 7.775 7.951 494 HB3 ALA 63 2HB ALA 63 3.081 7.361 6.366 495 H TYR 64 H TYR 64 1.145 5.730 4.780 496 HA TYR 64 HA TYR 64 -1.215 7.316 4.807 497 HD1 TYR 64 HD1 TYR 64 -2.125 8.401 2.381 498 HD2 TYR 64 HD2 TYR 64 -2.225 4.150 1.886 499 HE1 TYR 64 HE1 TYR 64 -4.210 8.594 1.104 500 HE2 TYR 64 HE2 TYR 64 -4.310 4.355 0.606 501 HH TYR 64 HH TYR 64 -6.161 5.892 0.301 502 HB2 TYR 64 1HB TYR 64 -0.024 6.899 2.700 503 HB3 TYR 64 2HB TYR 64 -0.277 5.165 2.848 504 H ALA 65 H ALA 65 -0.740 3.782 4.689 505 HA ALA 65 HA ALA 65 -3.360 2.910 4.951 506 HB1 ALA 65 3HB ALA 65 -2.372 0.752 5.616 507 HB2 ALA 65 1HB ALA 65 -0.821 1.548 5.908 508 HB3 ALA 65 2HB ALA 65 -1.479 1.472 4.273 509 H GLN 66 H GLN 66 -0.979 3.595 7.521 510 HA GLN 66 HA GLN 66 -2.430 2.737 9.774 511 HB2 GLN 66 1HB GLN 66 -0.389 4.999 9.684 512 HB3 GLN 66 2HB GLN 66 -0.891 4.118 11.127 513 HG2 GLN 66 1HG GLN 66 0.218 2.135 10.405 514 HG3 GLN 66 2HG GLN 66 0.482 2.782 8.789 515 HE21 GLN 66 2HE2 GLN 66 2.579 1.767 10.211 516 HE22 GLN 66 1HE2 GLN 66 3.661 3.023 10.680 517 H ARG 67 H ARG 67 -2.197 5.904 8.202 518 HA ARG 67 HA ARG 67 -3.758 7.474 9.943 519 HE ARG 67 HE ARG 67 -4.165 12.219 8.090 520 HB2 ARG 67 1HB ARG 67 -2.156 8.200 8.054 521 HB3 ARG 67 2HB ARG 67 -3.475 7.887 6.937 522 HG2 ARG 67 1HG ARG 67 -4.836 9.627 8.064 523 HG3 ARG 67 2HG ARG 67 -3.506 9.926 9.191 524 HD2 ARG 67 1HD ARG 67 -2.061 10.444 7.152 525 HD3 ARG 67 2HD ARG 67 -3.546 10.419 6.198 526 HH11 ARG 67 1HH1 ARG 67 -1.282 11.922 6.094 527 HH12 ARG 67 2HH1 ARG 67 -0.947 13.623 6.114 528 HH21 ARG 67 1HH2 ARG 67 -3.709 14.454 8.094 529 HH22 ARG 67 2HH2 ARG 67 -2.324 15.053 7.241 530 H LYS 68 H LYS 68 -4.615 5.317 7.308 531 HA LYS 68 HA LYS 68 -7.440 6.069 7.229 532 HB2 LYS 68 1HB LYS 68 -5.776 3.956 5.793 533 HB3 LYS 68 2HB LYS 68 -7.507 4.154 5.541 534 HG2 LYS 68 1HG LYS 68 -5.477 6.350 5.003 535 HG3 LYS 68 2HG LYS 68 -6.022 5.188 3.788 536 HD2 LYS 68 1HD LYS 68 -8.377 5.967 4.174 537 HD3 LYS 68 2HD LYS 68 -7.754 7.200 5.277 538 HE2 LYS 68 1HE LYS 68 -6.579 8.301 3.470 539 HE3 LYS 68 2HE LYS 68 -6.947 6.981 2.354 540 HZ1 LYS 68 3HZ LYS 68 -8.991 8.704 3.637 541 HZ2 LYS 68 1HZ LYS 68 -9.256 7.529 2.449 542 HZ3 LYS 68 2HZ LYS 68 -8.387 8.934 2.080 543 H GLY 69 H GLY 69 -5.365 3.830 8.899 544 HA2 GLY 69 1HA GLY 69 -5.923 2.360 10.606 545 HA3 GLY 69 2HA GLY 69 -7.607 2.374 10.099 546 H ILE 70 H ILE 70 -5.910 2.030 7.344 547 HA ILE 70 HA ILE 70 -6.637 -0.637 6.814 548 HB ILE 70 HB ILE 70 -4.469 1.007 5.425 549 HG12 ILE 70 1HG1 ILE 70 -7.364 0.537 4.593 550 HG13 ILE 70 2HG1 ILE 70 -6.776 2.009 5.354 551 HG21 ILE 70 1HG2 ILE 70 -4.708 -0.527 3.502 552 HG22 ILE 70 2HG2 ILE 70 -5.813 -1.534 4.439 553 HG23 ILE 70 3HG2 ILE 70 -4.127 -1.374 4.938 554 HD11 ILE 70 3HD1 ILE 70 -5.937 0.954 2.647 555 HD12 ILE 70 1HD1 ILE 70 -5.335 2.432 3.407 556 HD13 ILE 70 2HD1 ILE 70 -7.034 2.296 2.957 557 H GLU 71 H GLU 71 -5.978 -2.297 7.951 558 HA GLU 71 HA GLU 71 -3.383 -2.703 9.094 559 HB2 GLU 71 1HB GLU 71 -4.086 -5.140 9.241 560 HB3 GLU 71 2HB GLU 71 -5.201 -4.014 10.008 561 HG2 GLU 71 1HG GLU 71 -6.737 -4.185 8.129 562 HG3 GLU 71 2HG GLU 71 -5.590 -5.179 7.238 563 H TYR 72 H TYR 72 -1.506 -3.666 8.133 564 HA TYR 72 HA TYR 72 -1.707 -4.449 5.294 565 HD1 TYR 72 HD2 TYR 72 -1.163 -0.841 7.494 566 HD2 TYR 72 HD1 TYR 72 2.247 -2.835 5.851 567 HE1 TYR 72 HE2 TYR 72 0.307 0.331 9.086 568 HE2 TYR 72 HE1 TYR 72 3.701 -1.653 7.442 569 HH TYR 72 HH TYR 72 3.689 0.408 8.764 570 HB2 TYR 72 1HB TYR 72 0.086 -2.869 4.646 571 HB3 TYR 72 2HB TYR 72 -1.304 -2.005 5.285 572 H ARG 73 H ARG 73 -0.014 -5.682 4.541 573 HA ARG 73 HA ARG 73 2.063 -6.564 6.463 574 HE ARG 73 HE ARG 73 4.135 -10.990 6.425 575 HB2 ARG 73 1HB ARG 73 0.488 -8.390 5.824 576 HB3 ARG 73 2HB ARG 73 0.837 -8.096 4.124 577 HG2 ARG 73 1HG ARG 73 2.065 -10.053 4.892 578 HG3 ARG 73 2HG ARG 73 3.194 -8.758 4.485 579 HD2 ARG 73 1HD ARG 73 3.314 -8.186 6.937 580 HD3 ARG 73 2HD ARG 73 2.327 -9.610 7.269 581 HH11 ARG 73 1HH1 ARG 73 5.008 -7.644 7.093 582 HH12 ARG 73 2HH1 ARG 73 6.695 -7.993 7.249 583 HH21 ARG 73 1HH2 ARG 73 6.360 -11.431 6.660 584 HH22 ARG 73 2HH2 ARG 73 7.463 -10.142 7.031 585 H VAL 74 H VAL 74 3.931 -5.587 5.941 586 HA VAL 74 HA VAL 74 4.541 -4.738 3.236 587 HB VAL 74 HB VAL 74 6.686 -3.887 4.129 588 HG11 VAL 74 1HG1 VAL 74 5.760 -2.149 5.623 589 HG12 VAL 74 2HG1 VAL 74 4.292 -3.105 5.833 590 HG13 VAL 74 3HG1 VAL 74 4.699 -2.450 4.244 591 HG21 VAL 74 3HG2 VAL 74 7.191 -5.584 5.838 592 HG22 VAL 74 1HG2 VAL 74 5.826 -5.038 6.813 593 HG23 VAL 74 2HG2 VAL 74 7.209 -3.971 6.553 594 H ILE 75 H ILE 75 5.703 -5.746 1.802 595 HA ILE 75 HA ILE 75 7.191 -8.223 2.355 596 HB ILE 75 HB ILE 75 5.830 -7.342 -0.257 597 HG12 ILE 75 1HG1 ILE 75 4.550 -9.616 0.092 598 HG13 ILE 75 2HG1 ILE 75 5.041 -9.467 1.772 599 HG21 ILE 75 1HG2 ILE 75 7.909 -8.501 -0.780 600 HG22 ILE 75 2HG2 ILE 75 6.535 -9.517 -1.218 601 HG23 ILE 75 3HG2 ILE 75 7.451 -9.861 0.251 602 HD11 ILE 75 3HD1 ILE 75 2.791 -8.688 1.451 603 HD12 ILE 75 1HD1 ILE 75 3.318 -7.539 0.221 604 HD13 ILE 75 2HD1 ILE 75 3.823 -7.333 1.901 605 H LEU 76 H LEU 76 9.305 -8.209 1.716 606 HA LEU 76 HA LEU 76 10.664 -5.762 1.415 607 HG LEU 76 HG LEU 76 10.982 -8.275 3.339 608 HB2 LEU 76 1HB LEU 76 11.631 -8.606 0.986 609 HB3 LEU 76 2HB LEU 76 12.688 -7.202 1.055 610 HD11 LEU 76 1HD1 LEU 76 12.960 -9.643 2.876 611 HD12 LEU 76 2HD1 LEU 76 13.107 -8.802 4.416 612 HD13 LEU 76 3HD1 LEU 76 13.995 -8.219 3.004 613 HD21 LEU 76 3HD2 LEU 76 12.823 -5.855 3.310 614 HD22 LEU 76 1HD2 LEU 76 12.035 -6.538 4.734 615 HD23 LEU 76 2HD2 LEU 76 11.063 -5.831 3.450 616 HA PRO 77 HA PRO 77 10.681 -5.011 -2.976 617 HB2 PRO 77 1HB PRO 77 13.176 -3.899 -3.354 618 HB3 PRO 77 2HB PRO 77 11.821 -3.043 -2.622 619 HG2 PRO 77 1HG PRO 77 14.151 -4.389 -1.300 620 HG3 PRO 77 2HG PRO 77 13.379 -2.840 -0.905 621 HD2 PRO 77 1HD PRO 77 12.908 -5.128 0.492 622 HD3 PRO 77 2HD PRO 77 11.674 -3.865 0.307 623 H LYS 78 H LYS 78 11.717 -5.625 -5.041 624 HA LYS 78 HA LYS 78 12.399 -8.358 -5.175 625 HB2 LYS 78 1HB LYS 78 12.838 -8.000 -7.567 626 HB3 LYS 78 2HB LYS 78 11.381 -7.145 -7.083 627 HG2 LYS 78 1HG LYS 78 12.228 -5.104 -7.622 628 HG3 LYS 78 2HG LYS 78 13.799 -5.457 -6.910 629 HD2 LYS 78 1HD LYS 78 14.375 -6.791 -8.962 630 HD3 LYS 78 2HD LYS 78 12.844 -6.280 -9.675 631 HE2 LYS 78 1HE LYS 78 15.198 -4.529 -8.915 632 HE3 LYS 78 2HE LYS 78 14.573 -4.845 -10.535 633 HZ1 LYS 78 3HZ LYS 78 12.493 -3.728 -9.831 634 HZ2 LYS 78 1HZ LYS 78 13.842 -2.712 -9.830 635 HZ3 LYS 78 2HZ LYS 78 13.245 -3.314 -8.368 636 H GLU 79 H GLU 79 14.360 -5.499 -4.891 637 HA GLU 79 HA GLU 79 16.878 -7.018 -5.201 638 HB2 GLU 79 1HB GLU 79 17.972 -4.918 -5.776 639 HB3 GLU 79 2HB GLU 79 16.603 -5.174 -6.841 640 HG2 GLU 79 1HG GLU 79 16.375 -3.383 -4.420 641 HG3 GLU 79 2HG GLU 79 17.092 -2.793 -5.913 642 H ALA 80 H ALA 80 15.161 -6.907 -2.780 643 HA ALA 80 HA ALA 80 16.291 -5.323 -0.733 644 HB1 ALA 80 3HB ALA 80 15.084 -8.102 -0.443 645 HB2 ALA 80 1HB ALA 80 14.176 -6.588 -0.476 646 HB3 ALA 80 2HB ALA 80 15.295 -6.913 0.846 Start of MODEL 12 1 H MET 1 H MET 1 -9.691 -6.282 6.064 2 HA MET 1 HA MET 1 -9.064 -5.413 3.317 3 HB2 MET 1 1HB MET 1 -10.928 -4.088 4.350 4 HB3 MET 1 2HB MET 1 -9.891 -3.724 5.720 5 HG2 MET 1 1HG MET 1 -8.342 -2.539 4.168 6 HG3 MET 1 2HG MET 1 -9.476 -2.827 2.856 7 HE1 MET 1 3HE MET 1 -10.438 -0.151 6.519 8 HE2 MET 1 1HE MET 1 -8.923 -1.037 6.337 9 HE3 MET 1 2HE MET 1 -10.434 -1.910 6.623 10 H SER 2 H SER 2 -6.985 -6.316 3.433 11 HA SER 2 HA SER 2 -5.108 -5.234 5.461 12 HG SER 2 HG SER 2 -5.892 -7.228 6.652 13 HB2 SER 2 1HB SER 2 -4.935 -7.967 4.087 14 HB3 SER 2 2HB SER 2 -3.883 -7.355 5.375 15 H ALA 3 H ALA 3 -3.399 -4.158 4.631 16 HA ALA 3 HA ALA 3 -3.091 -3.949 1.699 17 HB1 ALA 3 3HB ALA 3 -3.628 -1.837 2.824 18 HB2 ALA 3 1HB ALA 3 -1.992 -1.790 2.172 19 HB3 ALA 3 2HB ALA 3 -2.243 -2.025 3.904 20 H LYS 4 H LYS 4 -1.145 -4.419 0.803 21 HA LYS 4 HA LYS 4 1.098 -5.257 2.515 22 HB2 LYS 4 1HB LYS 4 1.748 -6.864 0.754 23 HB3 LYS 4 2HB LYS 4 0.141 -7.213 1.379 24 HG2 LYS 4 1HG LYS 4 -0.809 -6.030 -0.641 25 HG3 LYS 4 2HG LYS 4 0.836 -5.929 -1.276 26 HD2 LYS 4 1HD LYS 4 0.984 -8.420 -1.224 27 HD3 LYS 4 2HD LYS 4 -0.679 -8.494 -0.633 28 HE2 LYS 4 1HE LYS 4 -1.400 -7.324 -2.742 29 HE3 LYS 4 2HE LYS 4 0.263 -7.456 -3.322 30 HZ1 LYS 4 3HZ LYS 4 0.080 -9.860 -3.182 31 HZ2 LYS 4 1HZ LYS 4 -1.127 -9.220 -4.182 32 HZ3 LYS 4 2HZ LYS 4 -1.509 -9.735 -2.618 33 H ILE 5 H ILE 5 2.875 -4.096 2.252 34 HA ILE 5 HA ILE 5 3.058 -2.150 0.023 35 HB ILE 5 HB ILE 5 4.526 -2.012 2.709 36 HG12 ILE 5 1HG1 ILE 5 3.047 0.144 2.985 37 HG13 ILE 5 2HG1 ILE 5 2.003 -0.584 1.775 38 HG21 ILE 5 1HG2 ILE 5 5.241 0.235 1.958 39 HG22 ILE 5 2HG2 ILE 5 4.427 -0.014 0.411 40 HG23 ILE 5 3HG2 ILE 5 5.804 -1.027 0.858 41 HD11 ILE 5 3HD1 ILE 5 1.198 -0.952 4.023 42 HD12 ILE 5 1HD1 ILE 5 2.697 -1.772 4.449 43 HD13 ILE 5 2HD1 ILE 5 1.611 -2.481 3.248 44 H TYR 6 H TYR 6 4.553 -2.653 -1.423 45 HA TYR 6 HA TYR 6 6.994 -4.109 -0.738 46 HD1 TYR 6 HD1 TYR 6 3.087 -4.923 -1.587 47 HD2 TYR 6 HD2 TYR 6 5.834 -5.673 -4.791 48 HE1 TYR 6 HE1 TYR 6 1.226 -4.857 -3.194 49 HE2 TYR 6 HE2 TYR 6 3.967 -5.600 -6.392 50 HH TYR 6 HH TYR 6 1.469 -5.997 -6.341 51 HB2 TYR 6 1HB TYR 6 6.611 -5.839 -2.512 52 HB3 TYR 6 2HB TYR 6 5.446 -5.966 -1.204 53 H ARG 7 H ARG 7 8.341 -4.295 -2.819 54 HA ARG 7 HA ARG 7 7.797 -2.127 -4.751 55 HE ARG 7 HE ARG 7 12.024 1.216 -5.558 56 HB2 ARG 7 1HB ARG 7 9.238 -1.208 -2.946 57 HB3 ARG 7 2HB ARG 7 10.408 -2.489 -3.221 58 HG2 ARG 7 1HG ARG 7 10.809 -1.567 -5.518 59 HG3 ARG 7 2HG ARG 7 9.692 -0.253 -5.152 60 HD2 ARG 7 1HD ARG 7 11.114 0.589 -3.410 61 HD3 ARG 7 2HD ARG 7 12.125 -0.847 -3.452 62 HH11 ARG 7 1HH1 ARG 7 13.868 -1.200 -3.789 63 HH12 ARG 7 2HH1 ARG 7 15.333 -0.891 -4.660 64 HH21 ARG 7 1HH2 ARG 7 13.961 1.630 -6.675 65 HH22 ARG 7 2HH2 ARG 7 15.380 0.704 -6.297 66 HA PRO 8 HA PRO 8 8.918 -6.099 -6.648 67 HB2 PRO 8 1HB PRO 8 7.117 -6.144 -8.638 68 HB3 PRO 8 2HB PRO 8 6.623 -6.321 -6.950 69 HG2 PRO 8 1HG PRO 8 6.420 -3.924 -8.740 70 HG3 PRO 8 2HG PRO 8 5.286 -4.494 -7.502 71 HD2 PRO 8 1HD PRO 8 7.229 -2.454 -7.163 72 HD3 PRO 8 2HD PRO 8 6.339 -3.271 -5.861 73 H ALA 9 H ALA 9 10.075 -6.824 -8.417 74 HA ALA 9 HA ALA 9 11.396 -4.897 -10.167 75 HB1 ALA 9 3HB ALA 9 12.699 -6.709 -9.130 76 HB2 ALA 9 1HB ALA 9 12.745 -6.833 -10.889 77 HB3 ALA 9 2HB ALA 9 11.707 -7.914 -9.951 78 H LYS 10 H LYS 10 8.601 -6.829 -10.273 79 HA LYS 10 HA LYS 10 8.499 -7.397 -13.107 80 HB2 LYS 10 1HB LYS 10 6.317 -8.335 -12.671 81 HB3 LYS 10 2HB LYS 10 7.364 -8.800 -11.336 82 HG2 LYS 10 1HG LYS 10 6.359 -6.878 -10.015 83 HG3 LYS 10 2HG LYS 10 5.205 -6.667 -11.328 84 HD2 LYS 10 1HD LYS 10 4.167 -7.969 -9.569 85 HD3 LYS 10 2HD LYS 10 4.427 -9.026 -10.963 86 HE2 LYS 10 1HE LYS 10 6.420 -9.982 -9.881 87 HE3 LYS 10 2HE LYS 10 6.241 -8.869 -8.521 88 HZ1 LYS 10 3HZ LYS 10 4.170 -9.914 -7.954 89 HZ2 LYS 10 1HZ LYS 10 5.381 -11.086 -8.050 90 HZ3 LYS 10 2HZ LYS 10 4.254 -10.931 -9.301 91 H THR 11 H THR 11 8.185 -4.538 -11.440 92 HA THR 11 HA THR 11 6.042 -3.161 -12.517 93 HB THR 11 HB THR 11 7.572 -1.071 -12.307 94 HG1 THR 11 HG1 THR 11 9.538 -1.460 -11.163 95 HG21 THR 11 3HG2 THR 11 6.049 -1.752 -10.474 96 HG22 THR 11 1HG2 THR 11 7.563 -1.074 -9.858 97 HG23 THR 11 2HG2 THR 11 7.304 -2.817 -9.838 98 H ALA 12 H ALA 12 5.669 -1.976 -14.357 99 HA ALA 12 HA ALA 12 7.229 -2.573 -16.760 100 HB1 ALA 12 3HB ALA 12 4.762 -2.749 -16.817 101 HB2 ALA 12 1HB ALA 12 5.332 -1.513 -17.943 102 HB3 ALA 12 2HB ALA 12 4.617 -1.040 -16.400 103 H MET 13 H MET 13 7.098 -0.427 -18.326 104 HA MET 13 HA MET 13 7.877 1.624 -18.882 105 HB2 MET 13 1HB MET 13 7.032 2.401 -16.056 106 HB3 MET 13 2HB MET 13 7.333 3.525 -17.378 107 HG2 MET 13 1HG MET 13 5.406 2.674 -18.592 108 HG3 MET 13 2HG MET 13 5.143 1.430 -17.361 109 HE1 MET 13 3HE MET 13 2.778 3.342 -18.277 110 HE2 MET 13 1HE MET 13 2.090 3.817 -16.720 111 HE3 MET 13 2HE MET 13 2.593 2.150 -16.988 112 H GLN 14 H GLN 14 9.745 -0.314 -17.670 113 HA GLN 14 HA GLN 14 11.508 1.080 -15.881 114 HB2 GLN 14 1HB GLN 14 11.800 -1.605 -17.277 115 HB3 GLN 14 2HB GLN 14 12.958 -0.968 -16.107 116 HG2 GLN 14 1HG GLN 14 11.102 -0.889 -14.413 117 HG3 GLN 14 2HG GLN 14 10.051 -1.678 -15.587 118 HE21 GLN 14 2HE2 GLN 14 10.844 -2.606 -12.935 119 HE22 GLN 14 1HE2 GLN 14 11.624 -4.131 -13.162 120 H SER 15 H SER 15 12.392 2.846 -16.767 121 HA SER 15 HA SER 15 14.134 2.601 -19.151 122 HG SER 15 HG SER 15 13.920 5.005 -20.418 123 HB2 SER 15 1HB SER 15 12.346 4.414 -19.081 124 HB3 SER 15 2HB SER 15 13.195 5.132 -17.713 125 H GLY 16 H GLY 16 16.012 4.550 -18.640 126 HA2 GLY 16 1HA GLY 16 17.787 3.269 -16.767 127 HA3 GLY 16 2HA GLY 16 18.129 4.691 -17.740 128 H THR 17 H THR 17 16.321 3.640 -14.875 129 HA THR 17 HA THR 17 17.391 5.701 -13.196 130 HB THR 17 HB THR 17 15.633 7.088 -14.202 131 HG1 THR 17 HG1 THR 17 14.745 7.783 -12.324 132 HG21 THR 17 3HG2 THR 17 14.088 5.315 -14.976 133 HG22 THR 17 1HG2 THR 17 13.242 6.549 -14.034 134 HG23 THR 17 2HG2 THR 17 13.628 4.990 -13.303 135 H ALA 18 H ALA 18 16.908 5.289 -10.942 136 HA ALA 18 HA ALA 18 16.406 2.489 -10.331 137 HB1 ALA 18 3HB ALA 18 17.002 4.817 -8.463 138 HB2 ALA 18 1HB ALA 18 18.202 3.733 -9.177 139 HB3 ALA 18 2HB ALA 18 17.021 3.104 -8.026 140 H LYS 19 H LYS 19 14.581 5.362 -10.499 141 HA LYS 19 HA LYS 19 12.586 5.040 -8.535 142 HB2 LYS 19 1HB LYS 19 13.026 7.158 -9.784 143 HB3 LYS 19 2HB LYS 19 12.405 6.418 -11.251 144 HG2 LYS 19 1HG LYS 19 10.691 7.857 -10.388 145 HG3 LYS 19 2HG LYS 19 10.164 6.196 -10.115 146 HD2 LYS 19 1HD LYS 19 9.662 7.472 -8.120 147 HD3 LYS 19 2HD LYS 19 10.996 6.380 -7.745 148 HE2 LYS 19 1HE LYS 19 12.597 8.251 -8.019 149 HE3 LYS 19 2HE LYS 19 11.259 9.339 -8.399 150 HZ1 LYS 19 3HZ LYS 19 11.993 9.497 -6.100 151 HZ2 LYS 19 1HZ LYS 19 11.587 7.879 -5.847 152 HZ3 LYS 19 2HZ LYS 19 10.381 9.006 -6.211 153 H THR 20 H THR 20 13.074 3.410 -11.531 154 HA THR 20 HA THR 20 10.622 2.742 -12.567 155 HB THR 20 HB THR 20 11.750 0.624 -13.399 156 HG1 THR 20 HG1 THR 20 13.373 -0.067 -12.230 157 HG21 THR 20 3HG2 THR 20 12.013 2.762 -14.624 158 HG22 THR 20 1HG2 THR 20 13.464 1.764 -14.728 159 HG23 THR 20 2HG2 THR 20 13.425 3.146 -13.636 160 H ASN 21 H ASN 21 12.304 1.070 -9.929 161 HA ASN 21 HA ASN 21 10.035 -0.701 -9.391 162 HB2 ASN 21 1HB ASN 21 12.562 -0.280 -7.721 163 HB3 ASN 21 2HB ASN 21 11.434 -1.628 -7.611 164 HD21 ASN 21 2HD2 ASN 21 11.452 -3.210 -9.276 165 HD22 ASN 21 1HD2 ASN 21 12.784 -3.369 -10.363 166 H VAL 22 H VAL 22 8.390 0.762 -8.925 167 HA VAL 22 HA VAL 22 8.723 2.700 -6.749 168 HB VAL 22 HB VAL 22 7.424 3.352 -8.744 169 HG11 VAL 22 1HG1 VAL 22 6.475 1.181 -9.379 170 HG12 VAL 22 2HG1 VAL 22 5.199 2.397 -9.242 171 HG13 VAL 22 3HG1 VAL 22 5.428 1.203 -7.958 172 HG21 VAL 22 3HG2 VAL 22 6.904 4.478 -6.627 173 HG22 VAL 22 1HG2 VAL 22 5.706 3.244 -6.239 174 HG23 VAL 22 2HG2 VAL 22 5.446 4.328 -7.610 175 H TRP 23 H TRP 23 7.257 2.636 -4.822 176 HA TRP 23 HA TRP 23 7.025 -0.083 -3.780 177 HD1 TRP 23 HD1 TRP 23 9.274 3.076 -2.936 178 HE1 TRP 23 HE1 TRP 23 11.313 2.227 -1.647 179 HE3 TRP 23 HE3 TRP 23 7.101 -0.832 -0.478 180 HZ2 TRP 23 HZ2 TRP 23 11.944 0.142 0.172 181 HZ3 TRP 23 HZ3 TRP 23 8.484 -2.225 1.009 182 HH2 TRP 23 HH2 TRP 23 10.860 -1.744 1.329 183 HB2 TRP 23 1HB TRP 23 6.623 2.649 -2.490 184 HB3 TRP 23 2HB TRP 23 6.193 1.149 -1.678 185 H VAL 24 H VAL 24 5.172 -1.124 -4.237 186 HA VAL 24 HA VAL 24 2.763 0.409 -4.929 187 HB VAL 24 HB VAL 24 3.281 -2.564 -5.355 188 HG11 VAL 24 1HG1 VAL 24 1.364 -2.435 -6.888 189 HG12 VAL 24 2HG1 VAL 24 1.135 -0.735 -6.482 190 HG13 VAL 24 3HG1 VAL 24 0.899 -1.978 -5.252 191 HG21 VAL 24 3HG2 VAL 24 4.895 -1.266 -6.690 192 HG22 VAL 24 1HG2 VAL 24 3.575 -0.302 -7.369 193 HG23 VAL 24 2HG2 VAL 24 3.686 -2.026 -7.731 194 H LEU 25 H LEU 25 0.922 0.180 -3.838 195 HA LEU 25 HA LEU 25 0.823 -1.309 -1.292 196 HG LEU 25 HG LEU 25 -1.907 0.027 -0.520 197 HB2 LEU 25 1HB LEU 25 0.875 1.159 -0.992 198 HB3 LEU 25 2HB LEU 25 -0.438 1.353 -2.139 199 HD11 LEU 25 1HD1 LEU 25 -0.169 -1.059 0.777 200 HD12 LEU 25 2HD1 LEU 25 -1.219 -0.101 1.818 201 HD13 LEU 25 3HD1 LEU 25 0.383 0.504 1.391 202 HD21 LEU 25 3HD2 LEU 25 -2.375 1.938 0.930 203 HD22 LEU 25 1HD2 LEU 25 -2.108 2.454 -0.736 204 HD23 LEU 25 2HD2 LEU 25 -0.838 2.683 0.474 205 H GLU 26 H GLU 26 -0.351 -3.066 -1.804 206 HA GLU 26 HA GLU 26 -2.849 -2.710 -3.390 207 HB2 GLU 26 1HB GLU 26 -1.083 -4.223 -4.449 208 HB3 GLU 26 2HB GLU 26 -1.285 -5.312 -3.085 209 HG2 GLU 26 1HG GLU 26 -3.640 -5.680 -3.682 210 HG3 GLU 26 2HG GLU 26 -3.507 -4.510 -4.995 211 H PHE 27 H PHE 27 -4.697 -3.199 -2.359 212 HA PHE 27 HA PHE 27 -4.710 -4.918 0.008 213 HD1 PHE 27 HD1 PHE 27 -4.302 -0.735 -0.755 214 HD2 PHE 27 HD2 PHE 27 -8.058 -2.255 0.656 215 HE1 PHE 27 HE1 PHE 27 -5.432 1.306 -1.514 216 HE2 PHE 27 HE2 PHE 27 -9.167 -0.209 -0.121 217 HZ PHE 27 HZ PHE 27 -7.861 1.579 -1.200 218 HB2 PHE 27 1HB PHE 27 -5.973 -3.303 1.363 219 HB3 PHE 27 2HB PHE 27 -4.422 -2.628 0.908 220 H ASP 28 H ASP 28 -6.736 -5.774 0.478 221 HA ASP 28 HA ASP 28 -8.657 -5.794 -1.712 222 HB2 ASP 28 1HB ASP 28 -9.866 -7.481 -0.334 223 HB3 ASP 28 2HB ASP 28 -8.207 -7.945 -0.663 224 H ALA 29 H ALA 29 -10.362 -4.534 -1.765 225 HA ALA 29 HA ALA 29 -10.623 -2.447 0.283 226 HB1 ALA 29 3HB ALA 29 -11.726 -2.565 -2.562 227 HB2 ALA 29 1HB ALA 29 -10.270 -1.705 -2.054 228 HB3 ALA 29 2HB ALA 29 -11.850 -1.185 -1.464 229 H GLU 30 H GLU 30 -12.143 -2.772 1.761 230 HA GLU 30 HA GLU 30 -14.241 -4.733 1.496 231 HB2 GLU 30 1HB GLU 30 -14.807 -4.119 3.834 232 HB3 GLU 30 2HB GLU 30 -13.089 -4.463 3.632 233 HG2 GLU 30 1HG GLU 30 -12.488 -2.168 3.828 234 HG3 GLU 30 2HG GLU 30 -14.158 -1.630 3.653 235 H VAL 31 H VAL 31 -15.033 -3.524 -0.472 236 HA VAL 31 HA VAL 31 -16.963 -1.387 0.186 237 HB VAL 31 HB VAL 31 -15.181 -0.483 -1.240 238 HG11 VAL 31 1HG1 VAL 31 -14.365 -2.538 -2.282 239 HG12 VAL 31 2HG1 VAL 31 -14.691 -1.315 -3.512 240 HG13 VAL 31 3HG1 VAL 31 -15.827 -2.645 -3.269 241 HG21 VAL 31 3HG2 VAL 31 -16.532 0.443 -3.097 242 HG22 VAL 31 1HG2 VAL 31 -17.460 0.390 -1.598 243 HG23 VAL 31 2HG2 VAL 31 -17.744 -0.819 -2.852 244 HA PRO 32 HA PRO 32 -19.890 -4.610 -1.072 245 HB2 PRO 32 1HB PRO 32 -22.211 -3.195 -0.835 246 HB3 PRO 32 2HB PRO 32 -21.289 -3.720 0.584 247 HG2 PRO 32 1HG PRO 32 -21.266 -1.032 -0.794 248 HG3 PRO 32 2HG PRO 32 -21.411 -1.383 0.944 249 HD2 PRO 32 1HD PRO 32 -19.041 -0.668 -0.181 250 HD3 PRO 32 2HD PRO 32 -19.119 -1.814 1.176 251 H ARG 33 H ARG 33 -21.749 -4.767 -2.651 252 HA ARG 33 HA ARG 33 -20.869 -4.060 -5.270 253 HE ARG 33 HE ARG 33 -22.677 -7.627 -3.670 254 HB2 ARG 33 1HB ARG 33 -22.855 -5.289 -6.041 255 HB3 ARG 33 2HB ARG 33 -22.007 -6.175 -4.781 256 HG2 ARG 33 1HG ARG 33 -23.718 -5.174 -3.140 257 HG3 ARG 33 2HG ARG 33 -24.632 -4.692 -4.573 258 HD2 ARG 33 1HD ARG 33 -25.477 -6.808 -3.704 259 HD3 ARG 33 2HD ARG 33 -24.734 -7.067 -5.287 260 HH11 ARG 33 1HH1 ARG 33 -25.995 -8.777 -3.507 261 HH12 ARG 33 2HH1 ARG 33 -25.567 -10.233 -2.670 262 HH21 ARG 33 1HH2 ARG 33 -22.127 -9.540 -2.611 263 HH22 ARG 33 2HH2 ARG 33 -23.363 -10.685 -2.188 264 H LYS 34 H LYS 34 -22.494 -2.189 -3.069 265 HA LYS 34 HA LYS 34 -24.357 -0.693 -4.511 266 HB2 LYS 34 1HB LYS 34 -22.495 0.254 -2.288 267 HB3 LYS 34 2HB LYS 34 -23.953 1.085 -2.818 268 HG2 LYS 34 1HG LYS 34 -23.872 -1.664 -1.534 269 HG3 LYS 34 2HG LYS 34 -24.246 -0.155 -0.692 270 HD2 LYS 34 1HD LYS 34 -26.231 0.150 -2.184 271 HD3 LYS 34 2HD LYS 34 -25.872 -1.400 -2.955 272 HE2 LYS 34 1HE LYS 34 -26.176 -2.528 -0.761 273 HE3 LYS 34 2HE LYS 34 -26.577 -0.972 -0.031 274 HZ1 LYS 34 3HZ LYS 34 -28.469 -0.816 -1.516 275 HZ2 LYS 34 1HZ LYS 34 -28.547 -2.212 -0.572 276 HZ3 LYS 34 2HZ LYS 34 -28.090 -2.317 -2.198 277 H ILE 35 H ILE 35 -23.530 -0.366 -6.611 278 HA ILE 35 HA ILE 35 -21.252 1.328 -7.164 279 HB ILE 35 HB ILE 35 -23.597 0.553 -8.972 280 HG12 ILE 35 1HG1 ILE 35 -20.840 -0.744 -8.782 281 HG13 ILE 35 2HG1 ILE 35 -22.319 -1.428 -8.117 282 HG21 ILE 35 1HG2 ILE 35 -20.870 1.661 -9.740 283 HG22 ILE 35 2HG2 ILE 35 -22.406 2.525 -9.833 284 HG23 ILE 35 3HG2 ILE 35 -22.122 1.129 -10.870 285 HD11 ILE 35 3HD1 ILE 35 -21.706 -2.498 -10.203 286 HD12 ILE 35 1HD1 ILE 35 -21.754 -0.953 -11.048 287 HD13 ILE 35 2HD1 ILE 35 -23.236 -1.642 -10.380 288 H ASP 36 H ASP 36 -21.383 3.533 -7.840 289 HA ASP 36 HA ASP 36 -23.777 4.993 -6.865 290 HB2 ASP 36 1HB ASP 36 -21.727 5.124 -5.404 291 HB3 ASP 36 2HB ASP 36 -20.854 5.876 -6.721 292 HA PRO 37 HA PRO 37 -24.161 6.896 -10.980 293 HB2 PRO 37 1HB PRO 37 -24.831 9.515 -10.033 294 HB3 PRO 37 2HB PRO 37 -25.955 8.224 -10.467 295 HG2 PRO 37 1HG PRO 37 -24.878 8.987 -7.772 296 HG3 PRO 37 2HG PRO 37 -26.508 8.435 -8.213 297 HD2 PRO 37 1HD PRO 37 -24.828 6.768 -6.994 298 HD3 PRO 37 2HD PRO 37 -25.830 6.164 -8.336 299 H ILE 38 H ILE 38 -22.021 8.330 -8.535 300 HA ILE 38 HA ILE 38 -20.532 9.992 -10.377 301 HB ILE 38 HB ILE 38 -19.650 8.944 -7.639 302 HG12 ILE 38 1HG1 ILE 38 -21.044 11.561 -8.365 303 HG13 ILE 38 2HG1 ILE 38 -21.705 10.234 -7.403 304 HG21 ILE 38 1HG2 ILE 38 -18.515 11.234 -9.290 305 HG22 ILE 38 2HG2 ILE 38 -17.738 9.678 -8.986 306 HG23 ILE 38 3HG2 ILE 38 -18.011 10.796 -7.653 307 HD11 ILE 38 3HD1 ILE 38 -21.062 12.091 -5.996 308 HD12 ILE 38 1HD1 ILE 38 -19.411 12.032 -6.607 309 HD13 ILE 38 2HD1 ILE 38 -20.049 10.691 -5.652 310 H MET 39 H MET 39 -19.830 6.912 -8.703 311 HA MET 39 HA MET 39 -17.633 6.346 -10.604 312 HB2 MET 39 1HB MET 39 -16.879 4.698 -8.805 313 HB3 MET 39 2HB MET 39 -16.792 6.395 -8.367 314 HG2 MET 39 1HG MET 39 -18.869 6.163 -7.056 315 HG3 MET 39 2HG MET 39 -18.947 4.462 -7.496 316 HE1 MET 39 3HE MET 39 -15.782 6.648 -6.522 317 HE2 MET 39 1HE MET 39 -15.680 6.304 -4.794 318 HE3 MET 39 2HE MET 39 -17.053 7.204 -5.433 319 H GLY 40 H GLY 40 -18.745 5.460 -12.302 320 HA2 GLY 40 1HA GLY 40 -20.884 3.515 -11.900 321 HA3 GLY 40 2HA GLY 40 -20.391 4.242 -13.416 322 H TYR 41 H TYR 41 -18.361 2.459 -11.096 323 HA TYR 41 HA TYR 41 -17.290 0.773 -13.191 324 HD1 TYR 41 HD2 TYR 41 -16.474 3.187 -10.008 325 HD2 TYR 41 HD1 TYR 41 -14.130 0.808 -12.682 326 HE1 TYR 41 HE2 TYR 41 -14.820 4.996 -10.179 327 HE2 TYR 41 HE1 TYR 41 -12.480 2.617 -12.840 328 HH TYR 41 HH TYR 41 -12.377 5.066 -12.519 329 HB2 TYR 41 1HB TYR 41 -16.815 0.711 -10.176 330 HB3 TYR 41 2HB TYR 41 -15.920 -0.228 -11.362 331 H THR 42 H THR 42 -18.950 -0.593 -13.925 332 HA THR 42 HA THR 42 -20.292 -2.436 -12.118 333 HB THR 42 HB THR 42 -21.150 -3.504 -14.198 334 HG1 THR 42 HG1 THR 42 -20.298 -3.082 -16.097 335 HG21 THR 42 3HG2 THR 42 -22.480 -1.612 -15.051 336 HG22 THR 42 1HG2 THR 42 -21.383 -0.466 -14.275 337 HG23 THR 42 2HG2 THR 42 -22.375 -1.547 -13.293 338 H SER 43 H SER 43 -17.241 -2.220 -13.592 339 HA SER 43 HA SER 43 -16.475 -4.970 -13.696 340 HG SER 43 HG SER 43 -14.030 -2.028 -12.958 341 HB2 SER 43 1HB SER 43 -14.139 -3.966 -13.808 342 HB3 SER 43 2HB SER 43 -15.263 -3.358 -15.025 343 H SER 44 H SER 44 -17.064 -2.876 -11.090 344 HA SER 44 HA SER 44 -15.358 -3.632 -9.057 345 HG SER 44 HG SER 44 -17.757 -1.066 -8.992 346 HB2 SER 44 1HB SER 44 -18.352 -3.070 -8.944 347 HB3 SER 44 2HB SER 44 -17.315 -3.193 -7.518 348 H SER 45 H SER 45 -14.921 -5.503 -8.084 349 HA SER 45 HA SER 45 -15.866 -7.960 -9.112 350 HG SER 45 HG SER 45 -13.614 -7.213 -9.327 351 HB2 SER 45 1HB SER 45 -14.169 -7.474 -6.630 352 HB3 SER 45 2HB SER 45 -14.259 -8.969 -7.569 353 H ASP 46 H ASP 46 -16.880 -9.714 -8.014 354 HA ASP 46 HA ASP 46 -19.086 -9.116 -6.327 355 HB2 ASP 46 1HB ASP 46 -17.794 -11.780 -7.053 356 HB3 ASP 46 2HB ASP 46 -19.290 -11.639 -6.132 357 H MET 47 H MET 47 -15.911 -10.523 -5.719 358 HA MET 47 HA MET 47 -16.221 -10.508 -2.829 359 HB2 MET 47 1HB MET 47 -13.924 -11.334 -2.749 360 HB3 MET 47 2HB MET 47 -14.826 -12.251 -3.943 361 HG2 MET 47 1HG MET 47 -12.858 -10.036 -4.573 362 HG3 MET 47 2HG MET 47 -12.529 -11.763 -4.681 363 HE1 MET 47 3HE MET 47 -15.324 -12.852 -5.995 364 HE2 MET 47 1HE MET 47 -13.729 -13.388 -6.522 365 HE3 MET 47 2HE MET 47 -14.898 -12.796 -7.706 366 H LYS 48 H LYS 48 -14.525 -9.287 -1.527 367 HA LYS 48 HA LYS 48 -14.686 -6.508 -2.046 368 HB2 LYS 48 1HB LYS 48 -13.460 -6.143 0.000 369 HB3 LYS 48 2HB LYS 48 -14.552 -7.484 0.267 370 HG2 LYS 48 1HG LYS 48 -11.558 -7.708 -0.178 371 HG3 LYS 48 2HG LYS 48 -12.365 -7.780 1.385 372 HD2 LYS 48 1HD LYS 48 -13.470 -9.873 0.755 373 HD3 LYS 48 2HD LYS 48 -12.795 -9.776 -0.875 374 HE2 LYS 48 1HE LYS 48 -11.533 -11.369 0.495 375 HE3 LYS 48 2HE LYS 48 -10.512 -9.995 0.068 376 HZ1 LYS 48 3HZ LYS 48 -10.266 -10.639 2.393 377 HZ2 LYS 48 1HZ LYS 48 -11.909 -10.353 2.670 378 HZ3 LYS 48 2HZ LYS 48 -10.881 -9.073 2.261 379 H GLN 49 H GLN 49 -13.738 -5.635 -3.754 380 HA GLN 49 HA GLN 49 -11.824 -6.903 -5.360 381 HB2 GLN 49 1HB GLN 49 -11.934 -4.878 -6.775 382 HB3 GLN 49 2HB GLN 49 -13.539 -5.396 -6.260 383 HG2 GLN 49 1HG GLN 49 -13.505 -3.653 -4.492 384 HG3 GLN 49 2HG GLN 49 -11.931 -3.119 -5.081 385 HE21 GLN 49 2HE2 GLN 49 -15.347 -3.161 -5.680 386 HE22 GLN 49 1HE2 GLN 49 -15.344 -2.005 -6.960 387 H GLN 50 H GLN 50 -9.645 -6.859 -5.460 388 HA GLN 50 HA GLN 50 -8.169 -5.323 -3.465 389 HB2 GLN 50 1HB GLN 50 -6.260 -6.755 -3.898 390 HB3 GLN 50 2HB GLN 50 -7.683 -7.741 -3.642 391 HG2 GLN 50 1HG GLN 50 -6.390 -7.177 -6.329 392 HG3 GLN 50 2HG GLN 50 -6.185 -8.647 -5.385 393 HE21 GLN 50 2HE2 GLN 50 -7.268 -8.163 -8.117 394 HE22 GLN 50 1HE2 GLN 50 -8.817 -8.921 -8.126 395 H VAL 51 H VAL 51 -8.210 -3.185 -4.224 396 HA VAL 51 HA VAL 51 -7.139 -2.536 -6.848 397 HB VAL 51 HB VAL 51 -7.702 -0.194 -6.224 398 HG11 VAL 51 1HG1 VAL 51 -10.006 -2.124 -5.701 399 HG12 VAL 51 2HG1 VAL 51 -9.450 -1.582 -7.287 400 HG13 VAL 51 3HG1 VAL 51 -10.168 -0.426 -6.163 401 HG21 VAL 51 3HG2 VAL 51 -7.265 -0.287 -3.794 402 HG22 VAL 51 1HG2 VAL 51 -8.668 -1.340 -3.567 403 HG23 VAL 51 2HG2 VAL 51 -8.889 0.328 -4.106 404 H LYS 52 H LYS 52 -5.435 -0.722 -6.900 405 HA LYS 52 HA LYS 52 -3.512 -0.895 -4.712 406 HB2 LYS 52 1HB LYS 52 -1.653 -1.669 -6.080 407 HB3 LYS 52 2HB LYS 52 -2.968 -2.838 -6.109 408 HG2 LYS 52 1HG LYS 52 -3.639 -1.733 -8.362 409 HG3 LYS 52 2HG LYS 52 -2.025 -1.010 -8.331 410 HD2 LYS 52 1HD LYS 52 -2.676 -3.976 -8.270 411 HD3 LYS 52 2HD LYS 52 -2.025 -3.089 -9.645 412 HE2 LYS 52 1HE LYS 52 0.066 -2.745 -8.491 413 HE3 LYS 52 2HE LYS 52 -0.602 -3.410 -6.998 414 HZ1 LYS 52 3HZ LYS 52 -0.801 -5.542 -8.045 415 HZ2 LYS 52 1HZ LYS 52 0.796 -4.990 -8.157 416 HZ3 LYS 52 2HZ LYS 52 -0.214 -4.929 -9.509 417 H LEU 53 H LEU 53 -2.109 0.650 -4.585 418 HA LEU 53 HA LEU 53 -2.218 3.040 -6.330 419 HG LEU 53 HG LEU 53 -4.152 4.240 -5.050 420 HB2 LEU 53 1HB LEU 53 -2.055 2.929 -3.269 421 HB3 LEU 53 2HB LEU 53 -1.733 4.373 -4.207 422 HD11 LEU 53 1HD1 LEU 53 -4.665 1.913 -4.506 423 HD12 LEU 53 2HD1 LEU 53 -5.784 3.006 -3.702 424 HD13 LEU 53 3HD1 LEU 53 -4.479 2.251 -2.785 425 HD21 LEU 53 3HD2 LEU 53 -3.413 5.861 -3.371 426 HD22 LEU 53 1HD2 LEU 53 -3.711 4.689 -2.083 427 HD23 LEU 53 2HD2 LEU 53 -5.055 5.318 -3.041 428 H THR 54 H THR 54 -0.142 4.242 -6.325 429 HA THR 54 HA THR 54 2.207 2.652 -5.431 430 HB THR 54 HB THR 54 3.406 3.653 -7.460 431 HG1 THR 54 HG1 THR 54 2.325 4.978 -8.683 432 HG21 THR 54 3HG2 THR 54 1.084 1.778 -8.057 433 HG22 THR 54 1HG2 THR 54 2.676 1.291 -7.461 434 HG23 THR 54 2HG2 THR 54 2.514 2.003 -9.067 435 H PHE 55 H PHE 55 3.659 3.665 -4.255 436 HA PHE 55 HA PHE 55 3.719 6.611 -3.971 437 HD1 PHE 55 HD1 PHE 55 1.616 3.675 -2.268 438 HD2 PHE 55 HD2 PHE 55 2.274 7.783 -1.260 439 HE1 PHE 55 HE1 PHE 55 -0.776 3.955 -1.807 440 HE2 PHE 55 HE2 PHE 55 -0.126 8.049 -0.808 441 HZ PHE 55 HZ PHE 55 -1.657 6.133 -1.082 442 HB2 PHE 55 1HB PHE 55 3.917 4.561 -1.704 443 HB3 PHE 55 2HB PHE 55 4.159 6.295 -1.522 444 H GLU 56 H GLU 56 5.809 7.432 -3.294 445 HA GLU 56 HA GLU 56 7.967 6.154 -4.680 446 HB2 GLU 56 1HB GLU 56 7.982 8.637 -2.911 447 HB3 GLU 56 2HB GLU 56 9.327 8.118 -3.925 448 HG2 GLU 56 1HG GLU 56 7.934 8.413 -5.933 449 HG3 GLU 56 2HG GLU 56 6.579 8.934 -4.929 450 H THR 57 H THR 57 6.968 6.179 -1.334 451 HA THR 57 HA THR 57 9.283 4.471 -0.639 452 HB THR 57 HB THR 57 9.371 5.500 1.647 453 HG1 THR 57 HG1 THR 57 8.343 7.708 1.708 454 HG21 THR 57 3HG2 THR 57 11.000 6.266 -0.042 455 HG22 THR 57 1HG2 THR 57 10.545 7.585 1.041 456 HG23 THR 57 2HG2 THR 57 9.868 7.509 -0.588 457 H GLN 58 H GLN 58 8.931 3.049 1.147 458 HA GLN 58 HA GLN 58 6.499 1.763 1.470 459 HB2 GLN 58 1HB GLN 58 8.549 0.692 2.165 460 HB3 GLN 58 2HB GLN 58 8.911 1.978 3.309 461 HG2 GLN 58 1HG GLN 58 6.951 1.271 4.679 462 HG3 GLN 58 2HG GLN 58 6.676 -0.057 3.551 463 HE21 GLN 58 2HE2 GLN 58 7.379 0.023 6.452 464 HE22 GLN 58 1HE2 GLN 58 8.763 -1.000 6.601 465 H GLU 59 H GLU 59 7.960 4.347 3.378 466 HA GLU 59 HA GLU 59 6.274 4.511 5.549 467 HB2 GLU 59 1HB GLU 59 7.664 6.828 4.144 468 HB3 GLU 59 2HB GLU 59 7.110 6.817 5.817 469 HG2 GLU 59 1HG GLU 59 8.741 5.082 6.376 470 HG3 GLU 59 2HG GLU 59 9.266 5.001 4.692 471 H GLN 60 H GLN 60 5.914 6.083 2.370 472 HA GLN 60 HA GLN 60 3.626 7.674 3.072 473 HB2 GLN 60 1HB GLN 60 4.765 6.902 0.353 474 HB3 GLN 60 2HB GLN 60 3.451 8.056 0.586 475 HG2 GLN 60 1HG GLN 60 4.962 9.510 1.896 476 HG3 GLN 60 2HG GLN 60 6.281 8.370 1.637 477 HE21 GLN 60 2HE2 GLN 60 7.159 8.158 -0.470 478 HE22 GLN 60 1HE2 GLN 60 6.934 9.392 -1.660 479 H ALA 61 H ALA 61 4.036 4.388 1.839 480 HA ALA 61 HA ALA 61 1.316 4.097 0.878 481 HB1 ALA 61 3HB ALA 61 3.538 2.048 1.247 482 HB2 ALA 61 1HB ALA 61 3.184 2.946 -0.231 483 HB3 ALA 61 2HB ALA 61 2.016 1.778 0.390 484 H GLU 62 H GLU 62 3.232 3.073 3.656 485 HA GLU 62 HA GLU 62 1.124 1.601 4.897 486 HB2 GLU 62 1HB GLU 62 2.574 1.355 6.819 487 HB3 GLU 62 2HB GLU 62 3.483 1.066 5.342 488 HG2 GLU 62 1HG GLU 62 4.580 3.205 5.517 489 HG3 GLU 62 2HG GLU 62 3.544 3.682 6.863 490 H ALA 63 H ALA 63 2.387 4.918 5.345 491 HA ALA 63 HA ALA 63 0.738 5.668 7.492 492 HB1 ALA 63 3HB ALA 63 2.716 6.977 6.780 493 HB2 ALA 63 1HB ALA 63 1.273 7.991 6.870 494 HB3 ALA 63 2HB ALA 63 1.876 7.448 5.301 495 H TYR 64 H TYR 64 0.135 5.587 4.009 496 HA TYR 64 HA TYR 64 -2.335 7.003 3.993 497 HD1 TYR 64 HD2 TYR 64 -3.024 8.045 1.313 498 HD2 TYR 64 HD1 TYR 64 -3.455 3.788 1.450 499 HE1 TYR 64 HE2 TYR 64 -5.123 8.210 0.046 500 HE2 TYR 64 HE1 TYR 64 -5.549 3.955 0.187 501 HH TYR 64 HH TYR 64 -6.514 6.734 -1.447 502 HB2 TYR 64 1HB TYR 64 -1.078 6.556 1.905 503 HB3 TYR 64 2HB TYR 64 -1.330 4.826 2.105 504 H ALA 65 H ALA 65 -1.581 3.521 4.038 505 HA ALA 65 HA ALA 65 -4.090 2.419 4.445 506 HB1 ALA 65 3HB ALA 65 -2.891 0.455 5.357 507 HB2 ALA 65 1HB ALA 65 -1.425 1.427 5.524 508 HB3 ALA 65 2HB ALA 65 -2.083 1.091 3.921 509 H GLN 66 H GLN 66 -1.796 3.612 6.899 510 HA GLN 66 HA GLN 66 -3.225 2.893 9.227 511 HB2 GLN 66 1HB GLN 66 -1.010 4.910 8.707 512 HB3 GLN 66 2HB GLN 66 -1.714 4.729 10.313 513 HG2 GLN 66 1HG GLN 66 -1.006 2.414 10.424 514 HG3 GLN 66 2HG GLN 66 -0.435 2.464 8.760 515 HE21 GLN 66 2HE2 GLN 66 1.553 3.415 8.311 516 HE22 GLN 66 1HE2 GLN 66 2.675 3.873 9.537 517 H ARG 67 H ARG 67 -3.120 5.926 7.378 518 HA ARG 67 HA ARG 67 -4.791 7.589 8.853 519 HE ARG 67 HE ARG 67 -3.156 10.113 5.621 520 HB2 ARG 67 1HB ARG 67 -3.447 8.264 6.852 521 HB3 ARG 67 2HB ARG 67 -4.531 7.336 5.821 522 HG2 ARG 67 1HG ARG 67 -6.409 8.901 6.666 523 HG3 ARG 67 2HG ARG 67 -5.115 9.907 7.323 524 HD2 ARG 67 1HD ARG 67 -5.567 9.180 4.409 525 HD3 ARG 67 2HD ARG 67 -5.775 10.764 5.155 526 HH11 ARG 67 1HH1 ARG 67 -5.091 10.482 2.708 527 HH12 ARG 67 2HH1 ARG 67 -3.742 10.960 1.729 528 HH21 ARG 67 1HH2 ARG 67 -1.390 10.681 4.316 529 HH22 ARG 67 2HH2 ARG 67 -1.641 11.064 2.643 530 H LYS 68 H LYS 68 -5.553 4.984 6.580 531 HA LYS 68 HA LYS 68 -8.432 5.478 6.631 532 HB2 LYS 68 1HB LYS 68 -6.787 3.360 5.188 533 HB3 LYS 68 2HB LYS 68 -8.524 3.591 4.999 534 HG2 LYS 68 1HG LYS 68 -6.358 5.573 4.219 535 HG3 LYS 68 2HG LYS 68 -7.300 4.560 3.119 536 HD2 LYS 68 1HD LYS 68 -9.382 5.735 3.853 537 HD3 LYS 68 2HD LYS 68 -8.413 6.767 4.910 538 HE2 LYS 68 1HE LYS 68 -8.918 7.977 2.866 539 HE3 LYS 68 2HE LYS 68 -7.193 7.606 2.884 540 HZ1 LYS 68 3HZ LYS 68 -7.690 5.676 1.452 541 HZ2 LYS 68 1HZ LYS 68 -8.086 7.152 0.728 542 HZ3 LYS 68 2HZ LYS 68 -9.300 6.172 1.367 543 H GLY 69 H GLY 69 -6.110 3.565 8.358 544 HA2 GLY 69 1HA GLY 69 -6.545 2.308 10.267 545 HA3 GLY 69 2HA GLY 69 -8.212 2.077 9.766 546 H ILE 70 H ILE 70 -6.502 1.535 7.092 547 HA ILE 70 HA ILE 70 -6.948 -1.244 6.958 548 HB ILE 70 HB ILE 70 -4.849 0.165 5.236 549 HG12 ILE 70 1HG1 ILE 70 -7.845 0.009 4.656 550 HG13 ILE 70 2HG1 ILE 70 -7.014 1.459 5.204 551 HG21 ILE 70 1HG2 ILE 70 -5.483 -1.548 3.550 552 HG22 ILE 70 2HG2 ILE 70 -6.610 -2.260 4.706 553 HG23 ILE 70 3HG2 ILE 70 -4.876 -2.284 5.036 554 HD11 ILE 70 3HD1 ILE 70 -5.666 1.450 3.131 555 HD12 ILE 70 1HD1 ILE 70 -7.399 1.555 2.816 556 HD13 ILE 70 2HD1 ILE 70 -6.554 0.026 2.580 557 H GLU 71 H GLU 71 -6.052 -2.611 8.281 558 HA GLU 71 HA GLU 71 -3.516 -2.575 9.519 559 HB2 GLU 71 1HB GLU 71 -3.761 -5.094 9.681 560 HB3 GLU 71 2HB GLU 71 -5.115 -4.182 10.345 561 HG2 GLU 71 1HG GLU 71 -6.487 -4.702 8.406 562 HG3 GLU 71 2HG GLU 71 -5.105 -5.413 7.572 563 H TYR 72 H TYR 72 -1.401 -3.405 8.772 564 HA TYR 72 HA TYR 72 -1.267 -4.114 5.917 565 HD1 TYR 72 HD1 TYR 72 -1.048 -0.698 8.495 566 HD2 TYR 72 HD2 TYR 72 2.470 -2.123 6.530 567 HE1 TYR 72 HE1 TYR 72 0.352 0.453 10.154 568 HE2 TYR 72 HE2 TYR 72 3.863 -0.962 8.183 569 HH TYR 72 HH TYR 72 3.630 1.012 9.727 570 HB2 TYR 72 1HB TYR 72 0.285 -2.320 5.420 571 HB3 TYR 72 2HB TYR 72 -1.150 -1.615 6.142 572 H ARG 73 H ARG 73 0.480 -5.281 5.313 573 HA ARG 73 HA ARG 73 2.691 -5.776 7.219 574 HE ARG 73 HE ARG 73 2.599 -8.652 8.543 575 HB2 ARG 73 1HB ARG 73 1.371 -7.821 6.935 576 HB3 ARG 73 2HB ARG 73 1.426 -7.668 5.184 577 HG2 ARG 73 1HG ARG 73 2.940 -9.431 6.061 578 HG3 ARG 73 2HG ARG 73 3.795 -8.190 5.145 579 HD2 ARG 73 1HD ARG 73 5.018 -8.888 7.194 580 HD3 ARG 73 2HD ARG 73 4.607 -7.171 7.206 581 HH11 ARG 73 1HH1 ARG 73 5.915 -7.588 9.021 582 HH12 ARG 73 2HH1 ARG 73 5.775 -7.534 10.745 583 HH21 ARG 73 1HH2 ARG 73 2.419 -8.536 10.802 584 HH22 ARG 73 2HH2 ARG 73 3.801 -8.101 11.754 585 H VAL 74 H VAL 74 4.728 -5.405 6.421 586 HA VAL 74 HA VAL 74 4.956 -4.368 3.659 587 HB VAL 74 HB VAL 74 6.916 -3.096 4.356 588 HG11 VAL 74 1HG1 VAL 74 5.867 -1.471 5.894 589 HG12 VAL 74 2HG1 VAL 74 4.617 -2.649 6.301 590 HG13 VAL 74 3HG1 VAL 74 4.735 -2.019 4.658 591 HG21 VAL 74 3HG2 VAL 74 6.574 -4.274 7.147 592 HG22 VAL 74 1HG2 VAL 74 7.704 -2.984 6.708 593 HG23 VAL 74 2HG2 VAL 74 7.899 -4.599 6.029 594 H ILE 75 H ILE 75 6.336 -5.232 2.278 595 HA ILE 75 HA ILE 75 8.115 -7.465 2.977 596 HB ILE 75 HB ILE 75 6.751 -6.990 0.260 597 HG12 ILE 75 1HG1 ILE 75 5.471 -9.219 0.894 598 HG13 ILE 75 2HG1 ILE 75 5.846 -8.777 2.552 599 HG21 ILE 75 1HG2 ILE 75 7.553 -9.262 -0.313 600 HG22 ILE 75 2HG2 ILE 75 8.360 -9.372 1.253 601 HG23 ILE 75 3HG2 ILE 75 8.883 -8.168 0.072 602 HD11 ILE 75 3HD1 ILE 75 4.579 -6.687 2.263 603 HD12 ILE 75 1HD1 ILE 75 3.595 -8.113 1.939 604 HD13 ILE 75 2HD1 ILE 75 4.211 -7.147 0.599 605 H LEU 76 H LEU 76 10.214 -7.217 2.286 606 HA LEU 76 HA LEU 76 11.155 -4.635 1.476 607 HG LEU 76 HG LEU 76 11.804 -6.394 4.025 608 HB2 LEU 76 1HB LEU 76 12.581 -7.295 1.869 609 HB3 LEU 76 2HB LEU 76 13.410 -5.790 1.512 610 HD11 LEU 76 1HD1 LEU 76 13.946 -7.564 3.984 611 HD12 LEU 76 2HD1 LEU 76 13.951 -6.291 5.200 612 HD13 LEU 76 3HD1 LEU 76 14.798 -6.050 3.668 613 HD21 LEU 76 3HD2 LEU 76 13.294 -3.850 3.287 614 HD22 LEU 76 1HD2 LEU 76 12.558 -4.202 4.856 615 HD23 LEU 76 2HD2 LEU 76 11.543 -4.043 3.424 616 HA PRO 77 HA PRO 77 11.347 -5.220 -2.964 617 HB2 PRO 77 1HB PRO 77 13.572 -3.714 -3.641 618 HB3 PRO 77 2HB PRO 77 11.988 -3.036 -3.272 619 HG2 PRO 77 1HG PRO 77 14.431 -3.163 -1.576 620 HG3 PRO 77 2HG PRO 77 13.163 -1.925 -1.624 621 HD2 PRO 77 1HD PRO 77 13.398 -3.899 0.324 622 HD3 PRO 77 2HD PRO 77 11.904 -3.013 -0.028 623 H LYS 78 H LYS 78 12.953 -5.835 -4.755 624 HA LYS 78 HA LYS 78 13.782 -8.448 -4.258 625 HB2 LYS 78 1HB LYS 78 14.779 -8.352 -6.611 626 HB3 LYS 78 2HB LYS 78 13.084 -7.933 -6.459 627 HG2 LYS 78 1HG LYS 78 13.895 -6.351 -7.986 628 HG3 LYS 78 2HG LYS 78 13.855 -5.456 -6.467 629 HD2 LYS 78 1HD LYS 78 16.279 -5.752 -6.206 630 HD3 LYS 78 2HD LYS 78 16.345 -6.746 -7.664 631 HE2 LYS 78 1HE LYS 78 15.508 -3.821 -7.593 632 HE3 LYS 78 2HE LYS 78 17.107 -4.410 -8.047 633 HZ1 LYS 78 3HZ LYS 78 15.812 -3.996 -10.005 634 HZ2 LYS 78 1HZ LYS 78 14.564 -5.001 -9.463 635 HZ3 LYS 78 2HZ LYS 78 16.063 -5.661 -9.859 636 H GLU 79 H GLU 79 15.676 -5.538 -3.932 637 HA GLU 79 HA GLU 79 18.100 -7.157 -3.399 638 HB2 GLU 79 1HB GLU 79 19.304 -4.846 -3.622 639 HB3 GLU 79 2HB GLU 79 18.804 -5.696 -5.069 640 HG2 GLU 79 1HG GLU 79 18.327 -3.391 -5.413 641 HG3 GLU 79 2HG GLU 79 16.789 -4.216 -5.173 642 H ALA 80 H ALA 80 16.160 -4.455 -2.142 643 HA ALA 80 HA ALA 80 15.849 -3.515 -0.121 644 HB1 ALA 80 3HB ALA 80 16.563 -6.270 0.914 645 HB2 ALA 80 1HB ALA 80 14.970 -5.766 0.342 646 HB3 ALA 80 2HB ALA 80 15.660 -5.030 1.788 Start of MODEL 13 1 H MET 1 H MET 1 -11.049 -5.479 6.296 2 HA MET 1 HA MET 1 -9.522 -5.047 4.485 3 HB2 MET 1 1HB MET 1 -9.628 -2.705 6.443 4 HB3 MET 1 2HB MET 1 -9.449 -2.589 4.696 5 HG2 MET 1 1HG MET 1 -11.697 -3.358 4.348 6 HG3 MET 1 2HG MET 1 -11.867 -3.777 6.051 7 HE1 MET 1 3HE MET 1 -14.173 -2.154 4.798 8 HE2 MET 1 1HE MET 1 -14.376 -0.825 5.937 9 HE3 MET 1 2HE MET 1 -14.061 -2.455 6.534 10 H SER 2 H SER 2 -7.512 -5.815 4.173 11 HA SER 2 HA SER 2 -5.309 -5.079 6.012 12 HG SER 2 HG SER 2 -6.256 -7.328 3.581 13 HB2 SER 2 1HB SER 2 -4.312 -7.319 5.378 14 HB3 SER 2 2HB SER 2 -5.830 -7.442 6.265 15 H ALA 3 H ALA 3 -3.588 -4.076 5.108 16 HA ALA 3 HA ALA 3 -3.595 -3.596 2.189 17 HB1 ALA 3 3HB ALA 3 -3.782 -1.569 3.562 18 HB2 ALA 3 1HB ALA 3 -2.236 -1.595 2.719 19 HB3 ALA 3 2HB ALA 3 -2.309 -1.991 4.437 20 H LYS 4 H LYS 4 -1.858 -4.203 1.006 21 HA LYS 4 HA LYS 4 0.479 -5.452 2.298 22 HB2 LYS 4 1HB LYS 4 0.785 -6.732 0.216 23 HB3 LYS 4 2HB LYS 4 -0.837 -7.002 0.841 24 HG2 LYS 4 1HG LYS 4 -1.675 -5.285 -0.805 25 HG3 LYS 4 2HG LYS 4 -0.054 -5.226 -1.488 26 HD2 LYS 4 1HD LYS 4 -1.367 -6.653 -2.887 27 HD3 LYS 4 2HD LYS 4 -0.265 -7.701 -1.989 28 HE2 LYS 4 1HE LYS 4 -2.051 -8.392 -0.502 29 HE3 LYS 4 2HE LYS 4 -3.150 -7.186 -1.176 30 HZ1 LYS 4 3HZ LYS 4 -2.038 -9.528 -2.622 31 HZ2 LYS 4 1HZ LYS 4 -3.047 -8.348 -3.295 32 HZ3 LYS 4 2HZ LYS 4 -3.620 -9.358 -2.064 33 H ILE 5 H ILE 5 2.321 -4.307 2.114 34 HA ILE 5 HA ILE 5 2.536 -2.197 0.024 35 HB ILE 5 HB ILE 5 4.249 -2.507 2.541 36 HG12 ILE 5 1HG1 ILE 5 2.008 -0.505 2.048 37 HG13 ILE 5 2HG1 ILE 5 1.863 -1.933 3.062 38 HG21 ILE 5 1HG2 ILE 5 5.086 -0.252 1.996 39 HG22 ILE 5 2HG2 ILE 5 4.065 -0.196 0.557 40 HG23 ILE 5 3HG2 ILE 5 5.384 -1.365 0.658 41 HD11 ILE 5 3HD1 ILE 5 3.698 0.412 3.528 42 HD12 ILE 5 1HD1 ILE 5 3.601 -1.034 4.542 43 HD13 ILE 5 2HD1 ILE 5 2.210 0.037 4.393 44 H TYR 6 H TYR 6 3.778 -2.758 -1.610 45 HA TYR 6 HA TYR 6 6.141 -4.460 -1.268 46 HD1 TYR 6 HD1 TYR 6 2.104 -4.823 -1.932 47 HD2 TYR 6 HD2 TYR 6 4.602 -5.503 -5.357 48 HE1 TYR 6 HE1 TYR 6 0.183 -4.447 -3.413 49 HE2 TYR 6 HE2 TYR 6 2.657 -5.119 -6.822 50 HH TYR 6 HH TYR 6 0.151 -5.270 -6.663 51 HB2 TYR 6 1HB TYR 6 5.479 -5.952 -3.159 52 HB3 TYR 6 2HB TYR 6 4.383 -6.107 -1.798 53 H ARG 7 H ARG 7 7.294 -4.544 -3.458 54 HA ARG 7 HA ARG 7 6.819 -2.173 -5.140 55 HE ARG 7 HE ARG 7 11.538 0.112 -6.224 56 HB2 ARG 7 1HB ARG 7 8.422 -1.504 -3.383 57 HB3 ARG 7 2HB ARG 7 9.470 -2.843 -3.798 58 HG2 ARG 7 1HG ARG 7 10.104 -1.817 -5.883 59 HG3 ARG 7 2HG ARG 7 8.830 -0.604 -5.741 60 HD2 ARG 7 1HD ARG 7 9.930 0.413 -3.833 61 HD3 ARG 7 2HD ARG 7 11.130 -0.875 -3.783 62 HH11 ARG 7 1HH1 ARG 7 11.106 1.903 -3.232 63 HH12 ARG 7 2HH1 ARG 7 12.297 3.092 -3.634 64 HH21 ARG 7 1HH2 ARG 7 13.094 1.627 -6.716 65 HH22 ARG 7 2HH2 ARG 7 13.438 2.928 -5.626 66 HA PRO 8 HA PRO 8 7.543 -5.987 -7.515 67 HB2 PRO 8 1HB PRO 8 5.503 -5.786 -9.208 68 HB3 PRO 8 2HB PRO 8 5.186 -5.997 -7.476 69 HG2 PRO 8 1HG PRO 8 5.085 -3.479 -9.134 70 HG3 PRO 8 2HG PRO 8 3.954 -4.034 -7.883 71 HD2 PRO 8 1HD PRO 8 6.062 -2.207 -7.481 72 HD3 PRO 8 2HD PRO 8 5.210 -3.096 -6.198 73 H ALA 9 H ALA 9 8.259 -6.529 -9.637 74 HA ALA 9 HA ALA 9 9.575 -4.485 -11.198 75 HB1 ALA 9 3HB ALA 9 9.221 -7.453 -11.748 76 HB2 ALA 9 1HB ALA 9 10.595 -6.705 -10.934 77 HB3 ALA 9 2HB ALA 9 10.288 -6.363 -12.638 78 H LYS 10 H LYS 10 6.591 -6.333 -11.346 79 HA LYS 10 HA LYS 10 5.614 -4.649 -13.563 80 HB2 LYS 10 1HB LYS 10 4.405 -6.626 -14.516 81 HB3 LYS 10 2HB LYS 10 6.154 -6.751 -14.632 82 HG2 LYS 10 1HG LYS 10 6.241 -8.367 -12.834 83 HG3 LYS 10 2HG LYS 10 4.528 -8.131 -12.471 84 HD2 LYS 10 1HD LYS 10 5.004 -10.239 -13.742 85 HD3 LYS 10 2HD LYS 10 3.874 -9.164 -14.568 86 HE2 LYS 10 1HE LYS 10 5.720 -8.356 -16.019 87 HE3 LYS 10 2HE LYS 10 6.842 -9.440 -15.193 88 HZ1 LYS 10 3HZ LYS 10 5.509 -11.317 -15.977 89 HZ2 LYS 10 1HZ LYS 10 6.110 -10.386 -17.258 90 HZ3 LYS 10 2HZ LYS 10 4.487 -10.254 -16.808 91 H THR 11 H THR 11 3.429 -4.209 -13.512 92 HA THR 11 HA THR 11 1.507 -5.033 -11.625 93 HB THR 11 HB THR 11 3.064 -3.980 -9.958 94 HG1 THR 11 HG1 THR 11 1.097 -3.788 -9.134 95 HG21 THR 11 3HG2 THR 11 2.542 -1.368 -11.422 96 HG22 THR 11 1HG2 THR 11 4.082 -2.234 -11.379 97 HG23 THR 11 2HG2 THR 11 3.412 -1.544 -9.900 98 H ALA 12 H ALA 12 -0.147 -2.915 -11.403 99 HA ALA 12 HA ALA 12 -0.874 -1.904 -13.940 100 HB1 ALA 12 3HB ALA 12 -2.284 -0.303 -12.682 101 HB2 ALA 12 1HB ALA 12 -1.464 -0.755 -11.183 102 HB3 ALA 12 2HB ALA 12 -2.452 -1.940 -12.042 103 H MET 13 H MET 13 0.586 -0.772 -15.104 104 HA MET 13 HA MET 13 2.718 0.810 -13.907 105 HB2 MET 13 1HB MET 13 3.601 0.915 -16.227 106 HB3 MET 13 2HB MET 13 3.221 -0.735 -15.756 107 HG2 MET 13 1HG MET 13 1.155 -0.659 -17.060 108 HG3 MET 13 2HG MET 13 1.475 1.023 -17.496 109 HE1 MET 13 3HE MET 13 1.226 0.544 -20.057 110 HE2 MET 13 1HE MET 13 0.850 -1.149 -19.730 111 HE3 MET 13 2HE MET 13 2.086 -0.734 -20.916 112 H GLN 14 H GLN 14 0.173 1.922 -13.468 113 HA GLN 14 HA GLN 14 0.345 4.522 -14.863 114 HB2 GLN 14 1HB GLN 14 -2.117 4.745 -14.484 115 HB3 GLN 14 2HB GLN 14 -1.712 3.417 -15.565 116 HG2 GLN 14 1HG GLN 14 -2.103 1.787 -13.793 117 HG3 GLN 14 2HG GLN 14 -2.376 3.080 -12.624 118 HE21 GLN 14 2HE2 GLN 14 -4.440 2.250 -12.158 119 HE22 GLN 14 1HE2 GLN 14 -5.773 2.457 -13.233 120 H SER 15 H SER 15 -0.527 6.292 -13.486 121 HA SER 15 HA SER 15 -0.475 7.640 -11.713 122 HG SER 15 HG SER 15 -2.427 6.140 -11.602 123 HB2 SER 15 1HB SER 15 -0.628 5.138 -9.988 124 HB3 SER 15 2HB SER 15 -0.900 6.790 -9.429 125 H GLY 16 H GLY 16 1.455 4.870 -10.488 126 HA2 GLY 16 1HA GLY 16 3.731 6.599 -9.887 127 HA3 GLY 16 2HA GLY 16 3.568 4.890 -9.526 128 H THR 17 H THR 17 3.749 7.012 -12.373 129 HA THR 17 HA THR 17 5.314 5.026 -13.883 130 HB THR 17 HB THR 17 5.049 6.743 -15.766 131 HG1 THR 17 HG1 THR 17 4.663 8.589 -14.463 132 HG21 THR 17 3HG2 THR 17 2.459 5.748 -14.512 133 HG22 THR 17 1HG2 THR 17 3.498 4.819 -15.600 134 HG23 THR 17 2HG2 THR 17 2.665 6.259 -16.190 135 H ALA 18 H ALA 18 6.808 5.660 -11.849 136 HA ALA 18 HA ALA 18 8.518 7.979 -12.256 137 HB1 ALA 18 3HB ALA 18 8.705 5.711 -10.240 138 HB2 ALA 18 1HB ALA 18 7.927 7.274 -9.973 139 HB3 ALA 18 2HB ALA 18 9.672 7.192 -10.223 140 H LYS 19 H LYS 19 10.961 7.573 -12.170 141 HA LYS 19 HA LYS 19 11.796 6.225 -14.517 142 HB2 LYS 19 1HB LYS 19 13.470 7.189 -12.154 143 HB3 LYS 19 2HB LYS 19 14.105 6.766 -13.743 144 HG2 LYS 19 1HG LYS 19 12.919 8.637 -14.763 145 HG3 LYS 19 2HG LYS 19 12.142 9.028 -13.227 146 HD2 LYS 19 1HD LYS 19 15.141 9.136 -13.751 147 HD3 LYS 19 2HD LYS 19 14.063 10.531 -13.772 148 HE2 LYS 19 1HE LYS 19 14.615 8.770 -11.354 149 HE3 LYS 19 2HE LYS 19 15.303 10.368 -11.644 150 HZ1 LYS 19 3HZ LYS 19 13.072 11.294 -11.581 151 HZ2 LYS 19 1HZ LYS 19 13.429 10.482 -10.141 152 HZ3 LYS 19 2HZ LYS 19 12.420 9.763 -11.288 153 H THR 20 H THR 20 12.093 5.395 -11.093 154 HA THR 20 HA THR 20 12.898 2.618 -11.690 155 HB THR 20 HB THR 20 13.179 2.508 -9.153 156 HG1 THR 20 HG1 THR 20 12.678 4.197 -7.964 157 HG21 THR 20 3HG2 THR 20 15.142 2.905 -10.587 158 HG22 THR 20 1HG2 THR 20 15.279 3.805 -9.076 159 HG23 THR 20 2HG2 THR 20 14.827 4.642 -10.563 160 H ASN 21 H ASN 21 11.741 0.892 -10.463 161 HA ASN 21 HA ASN 21 8.903 1.047 -10.363 162 HB2 ASN 21 1HB ASN 21 10.795 -0.909 -8.977 163 HB3 ASN 21 2HB ASN 21 9.052 -1.130 -9.122 164 HD21 ASN 21 2HD2 ASN 21 8.181 -1.705 -11.144 165 HD22 ASN 21 1HD2 ASN 21 9.164 -2.290 -12.439 166 H VAL 22 H VAL 22 7.532 1.492 -8.640 167 HA VAL 22 HA VAL 22 8.754 2.617 -6.170 168 HB VAL 22 HB VAL 22 6.683 4.026 -5.989 169 HG11 VAL 22 1HG1 VAL 22 8.719 4.991 -6.954 170 HG12 VAL 22 2HG1 VAL 22 7.287 5.663 -7.737 171 HG13 VAL 22 3HG1 VAL 22 8.249 4.430 -8.559 172 HG21 VAL 22 3HG2 VAL 22 6.046 2.986 -8.782 173 HG22 VAL 22 1HG2 VAL 22 5.186 4.287 -7.951 174 HG23 VAL 22 2HG2 VAL 22 5.129 2.645 -7.311 175 H TRP 23 H TRP 23 6.795 2.706 -4.411 176 HA TRP 23 HA TRP 23 6.313 -0.115 -3.833 177 HD1 TRP 23 HD1 TRP 23 8.817 2.745 -2.529 178 HE1 TRP 23 HE1 TRP 23 10.843 1.608 -1.451 179 HE3 TRP 23 HE3 TRP 23 6.539 -1.446 -0.692 180 HZ2 TRP 23 HZ2 TRP 23 11.429 -0.761 -0.023 181 HZ3 TRP 23 HZ3 TRP 23 7.898 -3.106 0.508 182 HH2 TRP 23 HH2 TRP 23 10.298 -2.772 0.832 183 HB2 TRP 23 1HB TRP 23 6.129 2.367 -2.080 184 HB3 TRP 23 2HB TRP 23 5.656 0.760 -1.539 185 H VAL 24 H VAL 24 4.386 -0.928 -4.250 186 HA VAL 24 HA VAL 24 2.081 0.825 -4.729 187 HB VAL 24 HB VAL 24 2.438 -2.134 -5.416 188 HG11 VAL 24 1HG1 VAL 24 0.437 -1.828 -6.851 189 HG12 VAL 24 2HG1 VAL 24 0.273 -0.173 -6.264 190 HG13 VAL 24 3HG1 VAL 24 0.068 -1.527 -5.149 191 HG21 VAL 24 3HG2 VAL 24 2.751 -1.416 -7.758 192 HG22 VAL 24 1HG2 VAL 24 4.016 -0.754 -6.718 193 HG23 VAL 24 2HG2 VAL 24 2.687 0.276 -7.258 194 H LEU 25 H LEU 25 0.309 0.678 -3.480 195 HA LEU 25 HA LEU 25 0.289 -1.052 -1.081 196 HG LEU 25 HG LEU 25 -2.174 0.477 0.141 197 HB2 LEU 25 1HB LEU 25 0.666 1.333 -0.549 198 HB3 LEU 25 2HB LEU 25 -0.740 1.789 -1.499 199 HD11 LEU 25 1HD1 LEU 25 0.365 0.398 1.780 200 HD12 LEU 25 2HD1 LEU 25 -0.476 -0.990 1.078 201 HD13 LEU 25 3HD1 LEU 25 -1.249 -0.040 2.344 202 HD21 LEU 25 3HD2 LEU 25 -2.051 2.911 0.256 203 HD22 LEU 25 1HD2 LEU 25 -0.615 2.806 1.282 204 HD23 LEU 25 2HD2 LEU 25 -2.171 2.211 1.870 205 H GLU 26 H GLU 26 -1.112 -2.606 -1.568 206 HA GLU 26 HA GLU 26 -3.713 -1.916 -2.866 207 HB2 GLU 26 1HB GLU 26 -2.314 -3.502 -4.216 208 HB3 GLU 26 2HB GLU 26 -2.320 -4.634 -2.872 209 HG2 GLU 26 1HG GLU 26 -4.784 -4.827 -3.050 210 HG3 GLU 26 2HG GLU 26 -4.763 -3.698 -4.402 211 H PHE 27 H PHE 27 -5.553 -2.310 -1.675 212 HA PHE 27 HA PHE 27 -5.433 -4.076 0.675 213 HD1 PHE 27 HD2 PHE 27 -5.124 -0.174 -0.620 214 HD2 PHE 27 HD1 PHE 27 -8.124 -0.969 2.328 215 HE1 PHE 27 HE2 PHE 27 -6.296 1.895 -1.220 216 HE2 PHE 27 HE1 PHE 27 -9.267 1.115 1.717 217 HZ PHE 27 HZ PHE 27 -8.352 2.550 -0.053 218 HB2 PHE 27 1HB PHE 27 -6.256 -2.385 2.219 219 HB3 PHE 27 2HB PHE 27 -4.783 -1.789 1.473 220 H ASP 28 H ASP 28 -7.449 -4.762 1.455 221 HA ASP 28 HA ASP 28 -9.694 -4.921 -0.258 222 HB2 ASP 28 1HB ASP 28 -9.762 -5.071 2.797 223 HB3 ASP 28 2HB ASP 28 -10.931 -5.762 1.678 224 H ALA 29 H ALA 29 -10.486 -2.990 -1.033 225 HA ALA 29 HA ALA 29 -10.244 -0.540 0.403 226 HB1 ALA 29 3HB ALA 29 -10.160 -0.614 -2.061 227 HB2 ALA 29 1HB ALA 29 -11.391 0.514 -1.486 228 HB3 ALA 29 2HB ALA 29 -11.863 -1.070 -2.107 229 H GLU 30 H GLU 30 -11.733 0.679 1.477 230 HA GLU 30 HA GLU 30 -13.971 -0.671 2.688 231 HB2 GLU 30 1HB GLU 30 -14.256 1.461 3.968 232 HB3 GLU 30 2HB GLU 30 -12.637 0.789 4.089 233 HG2 GLU 30 1HG GLU 30 -11.731 2.463 2.629 234 HG3 GLU 30 2HG GLU 30 -13.336 3.017 2.161 235 H VAL 31 H VAL 31 -14.905 -0.988 0.464 236 HA VAL 31 HA VAL 31 -16.997 0.944 -0.082 237 HB VAL 31 HB VAL 31 -15.155 1.729 -1.546 238 HG11 VAL 31 1HG1 VAL 31 -15.180 -1.019 -2.837 239 HG12 VAL 31 2HG1 VAL 31 -13.900 -0.374 -1.811 240 HG13 VAL 31 3HG1 VAL 31 -14.232 0.372 -3.376 241 HG21 VAL 31 3HG2 VAL 31 -16.361 1.718 -3.712 242 HG22 VAL 31 1HG2 VAL 31 -17.449 2.005 -2.348 243 HG23 VAL 31 2HG2 VAL 31 -17.399 0.418 -3.118 244 HA PRO 32 HA PRO 32 -18.793 -3.233 -0.357 245 HB2 PRO 32 1HB PRO 32 -21.400 -2.551 -0.217 246 HB3 PRO 32 2HB PRO 32 -20.335 -2.345 1.183 247 HG2 PRO 32 1HG PRO 32 -21.230 -0.278 -0.832 248 HG3 PRO 32 2HG PRO 32 -21.201 -0.163 0.942 249 HD2 PRO 32 1HD PRO 32 -19.214 0.866 -0.653 250 HD3 PRO 32 2HD PRO 32 -18.926 0.295 1.004 251 H ARG 33 H ARG 33 -21.162 -3.728 -1.715 252 HA ARG 33 HA ARG 33 -20.574 -3.907 -4.417 253 HE ARG 33 HE ARG 33 -25.536 -1.964 -2.132 254 HB2 ARG 33 1HB ARG 33 -22.804 -4.626 -4.772 255 HB3 ARG 33 2HB ARG 33 -22.403 -5.139 -3.145 256 HG2 ARG 33 1HG ARG 33 -24.111 -2.732 -3.865 257 HG3 ARG 33 2HG ARG 33 -24.715 -4.298 -3.333 258 HD2 ARG 33 1HD ARG 33 -23.837 -3.995 -1.137 259 HD3 ARG 33 2HD ARG 33 -22.868 -2.604 -1.636 260 HH11 ARG 33 1HH1 ARG 33 -23.615 -2.770 0.696 261 HH12 ARG 33 2HH1 ARG 33 -24.465 -1.672 1.732 262 HH21 ARG 33 1HH2 ARG 33 -26.631 -0.526 -0.754 263 HH22 ARG 33 2HH2 ARG 33 -26.177 -0.410 0.913 264 H LYS 34 H LYS 34 -21.770 -1.160 -2.668 265 HA LYS 34 HA LYS 34 -22.566 0.429 -4.942 266 HB2 LYS 34 1HB LYS 34 -23.467 0.773 -2.592 267 HB3 LYS 34 2HB LYS 34 -21.877 1.339 -2.104 268 HG2 LYS 34 1HG LYS 34 -23.336 3.235 -2.448 269 HG3 LYS 34 2HG LYS 34 -22.089 3.244 -3.700 270 HD2 LYS 34 1HD LYS 34 -23.674 2.339 -5.335 271 HD3 LYS 34 2HD LYS 34 -24.905 2.151 -4.085 272 HE2 LYS 34 1HE LYS 34 -25.366 4.135 -5.447 273 HE3 LYS 34 2HE LYS 34 -24.980 4.610 -3.795 274 HZ1 LYS 34 3HZ LYS 34 -23.890 6.048 -5.369 275 HZ2 LYS 34 1HZ LYS 34 -23.138 4.737 -6.125 276 HZ3 LYS 34 2HZ LYS 34 -22.726 5.150 -4.540 277 H ILE 35 H ILE 35 -20.554 -0.186 -6.111 278 HA ILE 35 HA ILE 35 -18.149 1.356 -5.400 279 HB ILE 35 HB ILE 35 -17.114 0.088 -7.397 280 HG12 ILE 35 1HG1 ILE 35 -18.235 -2.191 -7.867 281 HG13 ILE 35 2HG1 ILE 35 -19.702 -1.526 -7.165 282 HG21 ILE 35 1HG2 ILE 35 -16.674 -1.934 -6.060 283 HG22 ILE 35 2HG2 ILE 35 -18.018 -1.528 -4.990 284 HG23 ILE 35 3HG2 ILE 35 -16.607 -0.471 -5.074 285 HD11 ILE 35 3HD1 ILE 35 -19.716 -1.521 -9.595 286 HD12 ILE 35 1HD1 ILE 35 -18.291 -0.486 -9.621 287 HD13 ILE 35 2HD1 ILE 35 -19.811 0.119 -8.956 288 H ASP 36 H ASP 36 -17.060 1.947 -7.828 289 HA ASP 36 HA ASP 36 -18.297 4.354 -8.548 290 HB2 ASP 36 1HB ASP 36 -16.214 2.728 -10.076 291 HB3 ASP 36 2HB ASP 36 -16.631 4.407 -10.418 292 HA PRO 37 HA PRO 37 -21.563 2.699 -11.236 293 HB2 PRO 37 1HB PRO 37 -22.573 5.076 -12.166 294 HB3 PRO 37 2HB PRO 37 -22.889 4.471 -10.536 295 HG2 PRO 37 1HG PRO 37 -20.826 6.482 -11.439 296 HG3 PRO 37 2HG PRO 37 -21.942 6.576 -10.060 297 HD2 PRO 37 1HD PRO 37 -19.358 5.847 -9.731 298 HD3 PRO 37 2HD PRO 37 -20.649 5.123 -8.746 299 H ILE 38 H ILE 38 -18.842 4.495 -12.244 300 HA ILE 38 HA ILE 38 -19.000 4.612 -15.026 301 HB ILE 38 HB ILE 38 -16.556 3.995 -13.298 302 HG12 ILE 38 1HG1 ILE 38 -17.653 6.109 -12.617 303 HG13 ILE 38 2HG1 ILE 38 -16.092 6.436 -13.359 304 HG21 ILE 38 1HG2 ILE 38 -15.184 4.898 -15.162 305 HG22 ILE 38 2HG2 ILE 38 -16.635 5.038 -16.154 306 HG23 ILE 38 3HG2 ILE 38 -16.071 3.448 -15.636 307 HD11 ILE 38 3HD1 ILE 38 -17.739 8.053 -14.059 308 HD12 ILE 38 1HD1 ILE 38 -18.794 6.774 -14.658 309 HD13 ILE 38 2HD1 ILE 38 -17.239 7.077 -15.440 310 H MET 39 H MET 39 -18.072 1.947 -12.886 311 HA MET 39 HA MET 39 -18.223 -0.019 -15.114 312 HB2 MET 39 1HB MET 39 -16.459 -0.095 -12.618 313 HB3 MET 39 2HB MET 39 -16.532 -1.347 -13.853 314 HG2 MET 39 1HG MET 39 -15.580 0.167 -15.505 315 HG3 MET 39 2HG MET 39 -15.626 1.499 -14.350 316 HE1 MET 39 3HE MET 39 -12.931 0.308 -11.709 317 HE2 MET 39 1HE MET 39 -14.657 -0.042 -11.646 318 HE3 MET 39 2HE MET 39 -14.099 1.564 -12.116 319 H GLY 40 H GLY 40 -20.388 0.970 -13.409 320 HA2 GLY 40 1HA GLY 40 -20.806 -0.936 -11.243 321 HA3 GLY 40 2HA GLY 40 -21.799 0.451 -11.639 322 H TYR 41 H TYR 41 -21.500 -1.103 -14.530 323 HA TYR 41 HA TYR 41 -24.152 -2.209 -14.427 324 HD1 TYR 41 HD1 TYR 41 -25.800 -2.488 -16.390 325 HD2 TYR 41 HD2 TYR 41 -22.200 -3.993 -18.160 326 HE1 TYR 41 HE1 TYR 41 -27.117 -4.032 -17.785 327 HE2 TYR 41 HE2 TYR 41 -23.522 -5.525 -19.547 328 HH TYR 41 HH TYR 41 -26.867 -5.264 -19.922 329 HB2 TYR 41 1HB TYR 41 -23.415 -1.160 -16.486 330 HB3 TYR 41 2HB TYR 41 -22.025 -2.232 -16.611 331 H THR 42 H THR 42 -23.957 -3.729 -12.769 332 HA THR 42 HA THR 42 -23.567 -6.415 -13.525 333 HB THR 42 HB THR 42 -21.182 -6.116 -13.307 334 HG1 THR 42 HG1 THR 42 -20.785 -7.714 -11.906 335 HG21 THR 42 3HG2 THR 42 -21.602 -4.868 -10.574 336 HG22 THR 42 1HG2 THR 42 -21.104 -4.007 -12.036 337 HG23 THR 42 2HG2 THR 42 -20.047 -5.226 -11.321 338 H SER 43 H SER 43 -25.226 -7.317 -12.463 339 HA SER 43 HA SER 43 -26.738 -6.015 -10.493 340 HG SER 43 HG SER 43 -27.839 -6.696 -12.416 341 HB2 SER 43 1HB SER 43 -26.765 -8.986 -11.189 342 HB3 SER 43 2HB SER 43 -28.057 -8.093 -10.370 343 H SER 44 H SER 44 -24.585 -8.846 -10.141 344 HA SER 44 HA SER 44 -24.270 -8.324 -7.257 345 HG SER 44 HG SER 44 -23.056 -10.074 -6.243 346 HB2 SER 44 1HB SER 44 -24.711 -10.674 -7.869 347 HB3 SER 44 2HB SER 44 -23.347 -10.675 -8.989 348 H SER 45 H SER 45 -22.929 -6.554 -7.210 349 HA SER 45 HA SER 45 -20.528 -6.323 -8.828 350 HG SER 45 HG SER 45 -22.455 -4.889 -9.060 351 HB2 SER 45 1HB SER 45 -21.558 -4.565 -6.549 352 HB3 SER 45 2HB SER 45 -20.276 -4.138 -7.688 353 H ASP 46 H ASP 46 -18.504 -5.479 -7.395 354 HA ASP 46 HA ASP 46 -17.517 -7.650 -5.836 355 HB2 ASP 46 1HB ASP 46 -16.495 -4.774 -6.064 356 HB3 ASP 46 2HB ASP 46 -15.612 -6.081 -5.282 357 H MET 47 H MET 47 -17.785 -8.077 -3.697 358 HA MET 47 HA MET 47 -19.220 -6.499 -1.843 359 HB2 MET 47 1HB MET 47 -17.131 -8.663 -1.322 360 HB3 MET 47 2HB MET 47 -18.158 -7.959 -0.077 361 HG2 MET 47 1HG MET 47 -19.074 -10.076 -0.695 362 HG3 MET 47 2HG MET 47 -20.148 -8.823 -1.316 363 HE1 MET 47 3HE MET 47 -20.288 -11.861 -2.258 364 HE2 MET 47 1HE MET 47 -20.424 -11.698 -4.009 365 HE3 MET 47 2HE MET 47 -21.342 -10.626 -2.953 366 H LYS 48 H LYS 48 -15.778 -6.806 -2.544 367 HA LYS 48 HA LYS 48 -15.345 -4.023 -1.947 368 HB2 LYS 48 1HB LYS 48 -13.471 -4.292 -0.410 369 HB3 LYS 48 2HB LYS 48 -14.878 -5.065 0.295 370 HG2 LYS 48 1HG LYS 48 -12.692 -6.588 -1.155 371 HG3 LYS 48 2HG LYS 48 -12.662 -6.275 0.577 372 HD2 LYS 48 1HD LYS 48 -14.564 -7.664 0.974 373 HD3 LYS 48 2HD LYS 48 -14.981 -7.722 -0.742 374 HE2 LYS 48 1HE LYS 48 -13.922 -9.834 0.154 375 HE3 LYS 48 2HE LYS 48 -13.095 -9.132 -1.236 376 HZ1 LYS 48 3HZ LYS 48 -11.583 -9.884 0.526 377 HZ2 LYS 48 1HZ LYS 48 -12.253 -8.754 1.585 378 HZ3 LYS 48 2HZ LYS 48 -11.419 -8.234 0.208 379 H GLN 49 H GLN 49 -13.950 -3.242 -3.454 380 HA GLN 49 HA GLN 49 -12.488 -5.135 -5.185 381 HB2 GLN 49 1HB GLN 49 -12.211 -3.143 -6.719 382 HB3 GLN 49 2HB GLN 49 -13.883 -3.612 -6.439 383 HG2 GLN 49 1HG GLN 49 -14.145 -1.750 -4.846 384 HG3 GLN 49 2HG GLN 49 -12.465 -1.281 -5.108 385 HE21 GLN 49 2HE2 GLN 49 -13.056 0.790 -5.848 386 HE22 GLN 49 1HE2 GLN 49 -13.811 1.049 -7.385 387 H GLN 50 H GLN 50 -10.434 -5.548 -4.669 388 HA GLN 50 HA GLN 50 -8.896 -3.950 -2.849 389 HB2 GLN 50 1HB GLN 50 -8.154 -6.381 -4.537 390 HB3 GLN 50 2HB GLN 50 -6.969 -5.548 -3.542 391 HG2 GLN 50 1HG GLN 50 -7.773 -7.495 -2.368 392 HG3 GLN 50 2HG GLN 50 -8.315 -6.044 -1.531 393 HE21 GLN 50 2HE2 GLN 50 -9.840 -7.407 -4.451 394 HE22 GLN 50 1HE2 GLN 50 -11.308 -7.863 -3.670 395 H VAL 51 H VAL 51 -8.669 -1.875 -3.703 396 HA VAL 51 HA VAL 51 -7.548 -1.451 -6.346 397 HB VAL 51 HB VAL 51 -7.977 0.921 -5.955 398 HG11 VAL 51 1HG1 VAL 51 -9.889 -0.410 -6.742 399 HG12 VAL 51 2HG1 VAL 51 -10.439 0.912 -5.713 400 HG13 VAL 51 3HG1 VAL 51 -10.376 -0.733 -5.075 401 HG21 VAL 51 3HG2 VAL 51 -7.379 1.112 -3.583 402 HG22 VAL 51 1HG2 VAL 51 -8.794 0.164 -3.120 403 HG23 VAL 51 2HG2 VAL 51 -8.997 1.764 -3.838 404 H LYS 52 H LYS 52 -5.798 0.387 -6.380 405 HA LYS 52 HA LYS 52 -3.834 -0.047 -4.257 406 HB2 LYS 52 1HB LYS 52 -2.027 -0.536 -5.896 407 HB3 LYS 52 2HB LYS 52 -3.251 -1.795 -5.799 408 HG2 LYS 52 1HG LYS 52 -4.239 -1.062 -7.903 409 HG3 LYS 52 2HG LYS 52 -3.120 0.304 -7.989 410 HD2 LYS 52 1HD LYS 52 -2.421 -1.562 -9.467 411 HD3 LYS 52 2HD LYS 52 -1.214 -1.220 -8.226 412 HE2 LYS 52 1HE LYS 52 -1.510 -3.643 -8.533 413 HE3 LYS 52 2HE LYS 52 -2.009 -3.157 -6.915 414 HZ1 LYS 52 3HZ LYS 52 -3.580 -4.692 -7.850 415 HZ2 LYS 52 1HZ LYS 52 -3.795 -3.721 -9.216 416 HZ3 LYS 52 2HZ LYS 52 -4.312 -3.174 -7.703 417 H LEU 53 H LEU 53 -2.300 1.421 -4.052 418 HA LEU 53 HA LEU 53 -2.450 3.984 -5.540 419 HG LEU 53 HG LEU 53 -3.647 5.120 -2.060 420 HB2 LEU 53 1HB LEU 53 -1.643 3.648 -2.609 421 HB3 LEU 53 2HB LEU 53 -1.787 5.153 -3.488 422 HD11 LEU 53 1HD1 LEU 53 -4.266 5.778 -4.327 423 HD12 LEU 53 2HD1 LEU 53 -5.614 5.049 -3.459 424 HD13 LEU 53 3HD1 LEU 53 -4.753 4.117 -4.685 425 HD21 LEU 53 3HD2 LEU 53 -3.522 2.802 -1.322 426 HD22 LEU 53 1HD2 LEU 53 -4.243 2.255 -2.841 427 HD23 LEU 53 2HD2 LEU 53 -5.176 3.254 -1.722 428 H THR 54 H THR 54 -0.310 5.012 -5.805 429 HA THR 54 HA THR 54 2.010 3.217 -5.323 430 HB THR 54 HB THR 54 3.013 4.442 -7.381 431 HG1 THR 54 HG1 THR 54 1.376 6.059 -7.508 432 HG21 THR 54 3HG2 THR 54 1.948 2.898 -8.985 433 HG22 THR 54 1HG2 THR 54 0.671 2.547 -7.813 434 HG23 THR 54 2HG2 THR 54 2.340 2.078 -7.471 435 H PHE 55 H PHE 55 3.594 4.030 -4.181 436 HA PHE 55 HA PHE 55 3.867 6.928 -3.632 437 HD1 PHE 55 HD1 PHE 55 2.676 7.983 -1.022 438 HD2 PHE 55 HD2 PHE 55 1.776 3.861 -1.728 439 HE1 PHE 55 HE1 PHE 55 0.359 8.358 -0.290 440 HE2 PHE 55 HE2 PHE 55 -0.538 4.250 -0.995 441 HZ PHE 55 HZ PHE 55 -1.251 6.492 -0.271 442 HB2 PHE 55 1HB PHE 55 4.108 4.630 -1.621 443 HB3 PHE 55 2HB PHE 55 4.487 6.311 -1.273 444 H GLU 56 H GLU 56 6.069 7.571 -3.183 445 HA GLU 56 HA GLU 56 8.035 6.256 -4.776 446 HB2 GLU 56 1HB GLU 56 8.529 8.382 -2.649 447 HB3 GLU 56 2HB GLU 56 9.617 7.941 -3.960 448 HG2 GLU 56 1HG GLU 56 6.906 9.266 -4.252 449 HG3 GLU 56 2HG GLU 56 8.473 10.055 -4.411 450 H THR 57 H THR 57 7.258 6.113 -1.352 451 HA THR 57 HA THR 57 9.428 4.190 -0.837 452 HB THR 57 HB THR 57 9.835 5.245 1.415 453 HG1 THR 57 HG1 THR 57 9.061 7.496 1.592 454 HG21 THR 57 3HG2 THR 57 10.361 7.132 -0.925 455 HG22 THR 57 1HG2 THR 57 11.385 5.777 -0.439 456 HG23 THR 57 2HG2 THR 57 11.190 7.161 0.635 457 H GLN 58 H GLN 58 9.066 2.815 0.952 458 HA GLN 58 HA GLN 58 6.551 1.730 1.401 459 HB2 GLN 58 1HB GLN 58 8.648 0.550 1.869 460 HB3 GLN 58 2HB GLN 58 9.037 1.685 3.157 461 HG2 GLN 58 1HG GLN 58 7.070 0.862 4.441 462 HG3 GLN 58 2HG GLN 58 6.746 -0.313 3.163 463 HE21 GLN 58 2HE2 GLN 58 8.372 -1.870 2.739 464 HE22 GLN 58 1HE2 GLN 58 9.417 -2.425 3.992 465 H GLU 59 H GLU 59 8.401 3.964 3.362 466 HA GLU 59 HA GLU 59 6.863 4.351 5.583 467 HB2 GLU 59 1HB GLU 59 8.461 6.478 4.099 468 HB3 GLU 59 2HB GLU 59 7.826 6.670 5.726 469 HG2 GLU 59 1HG GLU 59 10.101 6.137 6.009 470 HG3 GLU 59 2HG GLU 59 9.224 4.660 6.401 471 H GLN 60 H GLN 60 6.411 5.976 2.437 472 HA GLN 60 HA GLN 60 4.290 7.704 3.314 473 HB2 GLN 60 1HB GLN 60 5.174 6.892 0.513 474 HB3 GLN 60 2HB GLN 60 3.950 8.114 0.849 475 HG2 GLN 60 1HG GLN 60 5.625 9.469 2.055 476 HG3 GLN 60 2HG GLN 60 6.854 8.255 1.712 477 HE21 GLN 60 2HE2 GLN 60 7.634 8.047 -0.413 478 HE22 GLN 60 1HE2 GLN 60 7.394 9.285 -1.594 479 H ALA 61 H ALA 61 4.364 4.400 1.979 480 HA ALA 61 HA ALA 61 1.561 4.282 1.345 481 HB1 ALA 61 3HB ALA 61 3.612 2.058 1.677 482 HB2 ALA 61 1HB ALA 61 3.208 2.888 0.170 483 HB3 ALA 61 2HB ALA 61 1.998 1.882 0.971 484 H GLU 62 H GLU 62 3.611 3.160 4.020 485 HA GLU 62 HA GLU 62 1.506 2.011 5.542 486 HB2 GLU 62 1HB GLU 62 3.083 1.780 7.360 487 HB3 GLU 62 2HB GLU 62 3.906 1.393 5.851 488 HG2 GLU 62 1HG GLU 62 4.989 3.574 5.847 489 HG3 GLU 62 2HG GLU 62 4.121 4.038 7.307 490 H ALA 63 H ALA 63 2.986 5.264 5.529 491 HA ALA 63 HA ALA 63 1.695 6.442 7.651 492 HB1 ALA 63 3HB ALA 63 3.403 7.587 6.294 493 HB2 ALA 63 1HB ALA 63 1.958 8.584 6.468 494 HB3 ALA 63 2HB ALA 63 2.263 7.725 4.954 495 H TYR 64 H TYR 64 0.445 5.853 4.379 496 HA TYR 64 HA TYR 64 -2.023 7.229 4.665 497 HD1 TYR 64 HD2 TYR 64 -3.225 8.191 2.608 498 HD2 TYR 64 HD1 TYR 64 -3.248 3.980 1.863 499 HE1 TYR 64 HE2 TYR 64 -5.459 8.370 1.594 500 HE2 TYR 64 HE1 TYR 64 -5.473 4.166 0.854 501 HH TYR 64 HH TYR 64 -7.368 5.593 0.844 502 HB2 TYR 64 1HB TYR 64 -1.011 6.666 2.459 503 HB3 TYR 64 2HB TYR 64 -1.284 4.957 2.768 504 H ALA 65 H ALA 65 -1.321 3.710 4.608 505 HA ALA 65 HA ALA 65 -3.743 2.656 5.342 506 HB1 ALA 65 3HB ALA 65 -2.498 0.657 6.064 507 HB2 ALA 65 1HB ALA 65 -1.000 1.595 6.109 508 HB3 ALA 65 2HB ALA 65 -1.824 1.315 4.572 509 H GLN 66 H GLN 66 -1.121 3.576 7.597 510 HA GLN 66 HA GLN 66 -2.388 2.787 9.991 511 HB2 GLN 66 1HB GLN 66 -0.056 4.656 9.457 512 HB3 GLN 66 2HB GLN 66 -0.641 4.353 11.096 513 HG2 GLN 66 1HG GLN 66 -0.168 1.984 10.883 514 HG3 GLN 66 2HG GLN 66 0.291 2.186 9.194 515 HE21 GLN 66 2HE2 GLN 66 2.278 3.119 8.706 516 HE22 GLN 66 1HE2 GLN 66 3.537 3.261 9.871 517 H ARG 67 H ARG 67 -2.234 5.922 8.343 518 HA ARG 67 HA ARG 67 -3.582 7.587 10.116 519 HE ARG 67 HE ARG 67 -5.731 11.419 7.282 520 HB2 ARG 67 1HB ARG 67 -2.489 8.377 8.053 521 HB3 ARG 67 2HB ARG 67 -3.650 7.499 7.068 522 HG2 ARG 67 1HG ARG 67 -5.456 8.992 7.928 523 HG3 ARG 67 2HG ARG 67 -4.237 9.906 8.822 524 HD2 ARG 67 1HD ARG 67 -3.106 10.445 6.670 525 HD3 ARG 67 2HD ARG 67 -4.370 9.563 5.806 526 HH11 ARG 67 1HH1 ARG 67 -3.187 11.633 4.857 527 HH12 ARG 67 2HH1 ARG 67 -3.682 13.204 4.320 528 HH21 ARG 67 1HH2 ARG 67 -6.349 13.476 6.563 529 HH22 ARG 67 2HH2 ARG 67 -5.482 14.234 5.267 530 H LYS 68 H LYS 68 -4.838 5.155 7.861 531 HA LYS 68 HA LYS 68 -7.642 5.854 8.360 532 HB2 LYS 68 1HB LYS 68 -6.480 3.672 6.587 533 HB3 LYS 68 2HB LYS 68 -8.155 4.215 6.614 534 HG2 LYS 68 1HG LYS 68 -5.740 5.776 5.644 535 HG3 LYS 68 2HG LYS 68 -7.055 5.122 4.667 536 HD2 LYS 68 1HD LYS 68 -8.632 6.677 5.930 537 HD3 LYS 68 2HD LYS 68 -7.206 7.416 6.666 538 HE2 LYS 68 1HE LYS 68 -7.942 8.751 4.761 539 HE3 LYS 68 2HE LYS 68 -6.383 8.010 4.383 540 HZ1 LYS 68 3HZ LYS 68 -7.911 7.839 2.529 541 HZ2 LYS 68 1HZ LYS 68 -9.048 7.035 3.488 542 HZ3 LYS 68 2HZ LYS 68 -7.565 6.298 3.137 543 H GLY 69 H GLY 69 -5.245 3.632 9.561 544 HA2 GLY 69 1HA GLY 69 -5.508 2.267 11.431 545 HA3 GLY 69 2HA GLY 69 -7.242 2.187 11.152 546 H ILE 70 H ILE 70 -5.812 1.744 8.246 547 HA ILE 70 HA ILE 70 -6.527 -0.986 7.981 548 HB ILE 70 HB ILE 70 -4.458 0.275 6.126 549 HG12 ILE 70 1HG1 ILE 70 -7.476 0.634 5.863 550 HG13 ILE 70 2HG1 ILE 70 -6.386 1.884 6.449 551 HG21 ILE 70 1HG2 ILE 70 -6.664 -1.770 5.636 552 HG22 ILE 70 2HG2 ILE 70 -4.943 -2.130 5.796 553 HG23 ILE 70 3HG2 ILE 70 -5.522 -1.183 4.424 554 HD11 ILE 70 3HD1 ILE 70 -5.243 1.910 4.284 555 HD12 ILE 70 1HD1 ILE 70 -6.970 2.234 4.119 556 HD13 ILE 70 2HD1 ILE 70 -6.328 0.645 3.693 557 H GLU 71 H GLU 71 -5.626 -2.529 9.157 558 HA GLU 71 HA GLU 71 -2.944 -2.792 10.024 559 HB2 GLU 71 1HB GLU 71 -3.394 -5.274 10.148 560 HB3 GLU 71 2HB GLU 71 -4.546 -4.285 11.029 561 HG2 GLU 71 1HG GLU 71 -5.342 -5.005 8.242 562 HG3 GLU 71 2HG GLU 71 -5.216 -6.357 9.361 563 H TYR 72 H TYR 72 -1.053 -3.779 8.994 564 HA TYR 72 HA TYR 72 -1.294 -4.536 6.181 565 HD1 TYR 72 HD1 TYR 72 -0.732 -1.207 8.656 566 HD2 TYR 72 HD2 TYR 72 2.457 -2.355 6.049 567 HE1 TYR 72 HE1 TYR 72 0.879 -0.030 10.093 568 HE2 TYR 72 HE2 TYR 72 4.057 -1.167 7.482 569 HH TYR 72 HH TYR 72 4.016 0.714 9.124 570 HB2 TYR 72 1HB TYR 72 0.184 -2.769 5.372 571 HB3 TYR 72 2HB TYR 72 -1.144 -2.009 6.239 572 H ARG 73 H ARG 73 0.511 -5.610 5.369 573 HA ARG 73 HA ARG 73 2.912 -5.881 7.058 574 HE ARG 73 HE ARG 73 2.686 -10.222 5.051 575 HB2 ARG 73 1HB ARG 73 1.338 -7.935 7.164 576 HB3 ARG 73 2HB ARG 73 1.756 -8.230 5.488 577 HG2 ARG 73 1HG ARG 73 3.937 -8.016 7.578 578 HG3 ARG 73 2HG ARG 73 3.015 -9.506 7.418 579 HD2 ARG 73 1HD ARG 73 4.647 -8.203 5.208 580 HD3 ARG 73 2HD ARG 73 5.145 -9.597 6.173 581 HH11 ARG 73 1HH1 ARG 73 5.907 -9.527 3.818 582 HH12 ARG 73 2HH1 ARG 73 5.718 -10.565 2.441 583 HH21 ARG 73 1HH2 ARG 73 2.456 -11.554 3.268 584 HH22 ARG 73 2HH2 ARG 73 3.755 -11.716 2.132 585 H VAL 74 H VAL 74 4.851 -6.111 5.863 586 HA VAL 74 HA VAL 74 4.681 -4.983 3.138 587 HB VAL 74 HB VAL 74 6.853 -3.929 3.492 588 HG11 VAL 74 1HG1 VAL 74 4.874 -2.683 4.255 589 HG12 VAL 74 2HG1 VAL 74 6.274 -2.305 5.254 590 HG13 VAL 74 3HG1 VAL 74 5.025 -3.390 5.867 591 HG21 VAL 74 3HG2 VAL 74 6.909 -5.202 6.261 592 HG22 VAL 74 1HG2 VAL 74 8.078 -4.029 5.644 593 HG23 VAL 74 2HG2 VAL 74 7.956 -5.628 4.906 594 H ILE 75 H ILE 75 5.734 -5.850 1.493 595 HA ILE 75 HA ILE 75 7.337 -8.299 1.752 596 HB ILE 75 HB ILE 75 5.958 -7.209 -0.769 597 HG12 ILE 75 1HG1 ILE 75 4.398 -9.298 -0.464 598 HG13 ILE 75 2HG1 ILE 75 4.922 -9.286 1.211 599 HG21 ILE 75 1HG2 ILE 75 7.907 -8.606 -1.262 600 HG22 ILE 75 2HG2 ILE 75 6.427 -9.429 -1.754 601 HG23 ILE 75 3HG2 ILE 75 7.252 -9.914 -0.271 602 HD11 ILE 75 3HD1 ILE 75 2.758 -8.227 0.920 603 HD12 ILE 75 1HD1 ILE 75 3.452 -7.054 -0.201 604 HD13 ILE 75 2HD1 ILE 75 3.944 -7.058 1.495 605 H LEU 76 H LEU 76 9.429 -8.251 0.847 606 HA LEU 76 HA LEU 76 10.762 -5.760 0.606 607 HG LEU 76 HG LEU 76 11.433 -8.577 2.195 608 HB2 LEU 76 1HB LEU 76 11.688 -8.542 -0.206 609 HB3 LEU 76 2HB LEU 76 12.729 -7.127 -0.143 610 HD11 LEU 76 1HD1 LEU 76 13.719 -8.931 2.953 611 HD12 LEU 76 2HD1 LEU 76 14.345 -8.045 1.560 612 HD13 LEU 76 3HD1 LEU 76 13.494 -9.576 1.326 613 HD21 LEU 76 3HD2 LEU 76 12.905 -5.920 2.296 614 HD22 LEU 76 1HD2 LEU 76 12.437 -6.894 3.695 615 HD23 LEU 76 2HD2 LEU 76 11.199 -6.195 2.658 616 HA PRO 77 HA PRO 77 10.187 -4.645 -3.666 617 HB2 PRO 77 1HB PRO 77 12.572 -3.398 -4.269 618 HB3 PRO 77 2HB PRO 77 11.307 -2.669 -3.276 619 HG2 PRO 77 1HG PRO 77 13.811 -4.076 -2.407 620 HG3 PRO 77 2HG PRO 77 13.100 -2.572 -1.787 621 HD2 PRO 77 1HD PRO 77 12.804 -4.941 -0.498 622 HD3 PRO 77 2HD PRO 77 11.525 -3.710 -0.487 623 H LYS 78 H LYS 78 11.060 -4.843 -5.865 624 HA LYS 78 HA LYS 78 12.077 -7.436 -6.509 625 HB2 LYS 78 1HB LYS 78 12.023 -6.539 -8.892 626 HB3 LYS 78 2HB LYS 78 10.503 -6.474 -8.022 627 HG2 LYS 78 1HG LYS 78 10.555 -4.431 -9.160 628 HG3 LYS 78 2HG LYS 78 11.066 -4.006 -7.534 629 HD2 LYS 78 1HD LYS 78 12.412 -2.790 -9.130 630 HD3 LYS 78 2HD LYS 78 13.435 -3.972 -8.323 631 HE2 LYS 78 1HE LYS 78 12.200 -4.458 -11.046 632 HE3 LYS 78 2HE LYS 78 13.776 -3.702 -10.832 633 HZ1 LYS 78 3HZ LYS 78 14.480 -5.720 -9.624 634 HZ2 LYS 78 1HZ LYS 78 14.069 -6.014 -11.236 635 HZ3 LYS 78 2HZ LYS 78 13.003 -6.444 -10.011 636 H GLU 79 H GLU 79 13.554 -4.433 -5.839 637 HA GLU 79 HA GLU 79 16.150 -5.169 -7.018 638 HB2 GLU 79 1HB GLU 79 16.731 -2.769 -6.515 639 HB3 GLU 79 2HB GLU 79 15.404 -2.993 -7.646 640 HG2 GLU 79 1HG GLU 79 14.058 -2.773 -5.225 641 HG3 GLU 79 2HG GLU 79 15.427 -1.691 -4.984 642 H ALA 80 H ALA 80 14.649 -5.903 -4.259 643 HA ALA 80 HA ALA 80 16.646 -5.360 -2.252 644 HB1 ALA 80 3HB ALA 80 14.318 -5.814 -1.603 645 HB2 ALA 80 1HB ALA 80 15.405 -6.995 -0.873 646 HB3 ALA 80 2HB ALA 80 14.424 -7.440 -2.272 Start of MODEL 14 1 H MET 1 H MET 1 -11.249 -2.914 4.087 2 HA MET 1 HA MET 1 -9.478 -3.752 2.721 3 HB2 MET 1 1HB MET 1 -8.882 -1.055 4.020 4 HB3 MET 1 2HB MET 1 -8.140 -1.609 2.522 5 HG2 MET 1 1HG MET 1 -10.360 -1.697 1.456 6 HG3 MET 1 2HG MET 1 -11.102 -1.146 2.953 7 HE1 MET 1 3HE MET 1 -9.987 2.574 3.177 8 HE2 MET 1 1HE MET 1 -9.346 1.188 4.053 9 HE3 MET 1 2HE MET 1 -11.086 1.343 3.798 10 H SER 2 H SER 2 -7.376 -4.519 2.494 11 HA SER 2 HA SER 2 -5.642 -4.689 4.875 12 HG SER 2 HG SER 2 -7.153 -8.082 3.179 13 HB2 SER 2 1HB SER 2 -5.295 -7.162 4.261 14 HB3 SER 2 2HB SER 2 -6.859 -6.767 4.968 15 H ALA 3 H ALA 3 -3.711 -3.835 4.210 16 HA ALA 3 HA ALA 3 -3.308 -3.510 1.288 17 HB1 ALA 3 3HB ALA 3 -3.700 -1.421 2.530 18 HB2 ALA 3 1HB ALA 3 -2.077 -1.468 1.848 19 HB3 ALA 3 2HB ALA 3 -2.317 -1.767 3.572 20 H LYS 4 H LYS 4 -1.408 -4.137 0.383 21 HA LYS 4 HA LYS 4 0.737 -5.271 2.064 22 HB2 LYS 4 1HB LYS 4 1.363 -6.683 0.158 23 HB3 LYS 4 2HB LYS 4 -0.317 -6.959 0.588 24 HG2 LYS 4 1HG LYS 4 -1.024 -5.549 -1.329 25 HG3 LYS 4 2HG LYS 4 0.666 -5.311 -1.762 26 HD2 LYS 4 1HD LYS 4 -0.266 -7.023 -3.196 27 HD3 LYS 4 2HD LYS 4 0.888 -7.784 -2.100 28 HE2 LYS 4 1HE LYS 4 -1.009 -8.526 -0.665 29 HE3 LYS 4 2HE LYS 4 -2.137 -7.802 -1.808 30 HZ1 LYS 4 3HZ LYS 4 -1.330 -9.326 -3.491 31 HZ2 LYS 4 1HZ LYS 4 -1.932 -10.156 -2.152 32 HZ3 LYS 4 2HZ LYS 4 -0.266 -10.021 -2.380 33 H ILE 5 H ILE 5 2.682 -4.278 1.943 34 HA ILE 5 HA ILE 5 3.119 -2.198 -0.142 35 HB ILE 5 HB ILE 5 4.543 -2.378 2.557 36 HG12 ILE 5 1HG1 ILE 5 2.294 -0.466 1.797 37 HG13 ILE 5 2HG1 ILE 5 2.062 -1.909 2.774 38 HG21 ILE 5 1HG2 ILE 5 4.444 -0.135 0.487 39 HG22 ILE 5 2HG2 ILE 5 5.812 -1.220 0.764 40 HG23 ILE 5 3HG2 ILE 5 5.312 -0.087 2.024 41 HD11 ILE 5 3HD1 ILE 5 2.191 0.063 4.144 42 HD12 ILE 5 1HD1 ILE 5 3.781 0.458 3.485 43 HD13 ILE 5 2HD1 ILE 5 3.563 -0.995 4.470 44 H TYR 6 H TYR 6 4.635 -2.668 -1.550 45 HA TYR 6 HA TYR 6 6.992 -4.250 -0.894 46 HD1 TYR 6 HD1 TYR 6 3.069 -4.983 -1.913 47 HD2 TYR 6 HD2 TYR 6 5.928 -5.447 -5.059 48 HE1 TYR 6 HE1 TYR 6 1.273 -4.801 -3.573 49 HE2 TYR 6 HE2 TYR 6 4.124 -5.261 -6.719 50 HH TYR 6 HH TYR 6 0.929 -4.263 -5.900 51 HB2 TYR 6 1HB TYR 6 6.616 -5.850 -2.785 52 HB3 TYR 6 2HB TYR 6 5.412 -6.028 -1.519 53 H ARG 7 H ARG 7 8.369 -4.398 -2.946 54 HA ARG 7 HA ARG 7 7.925 -2.147 -4.816 55 HE ARG 7 HE ARG 7 11.566 1.528 -5.496 56 HB2 ARG 7 1HB ARG 7 9.552 -1.460 -2.993 57 HB3 ARG 7 2HB ARG 7 10.640 -2.715 -3.561 58 HG2 ARG 7 1HG ARG 7 10.855 -1.578 -5.741 59 HG3 ARG 7 2HG ARG 7 9.695 -0.355 -5.227 60 HD2 ARG 7 1HD ARG 7 11.242 0.336 -3.416 61 HD3 ARG 7 2HD ARG 7 12.398 -0.869 -3.964 62 HH11 ARG 7 1HH1 ARG 7 13.989 -0.965 -4.942 63 HH12 ARG 7 2HH1 ARG 7 15.209 -0.131 -5.847 64 HH21 ARG 7 1HH2 ARG 7 13.188 2.589 -6.679 65 HH22 ARG 7 2HH2 ARG 7 14.759 1.866 -6.833 66 HA PRO 8 HA PRO 8 8.563 -6.070 -7.039 67 HB2 PRO 8 1HB PRO 8 7.015 -5.548 -9.187 68 HB3 PRO 8 2HB PRO 8 6.303 -5.836 -7.591 69 HG2 PRO 8 1HG PRO 8 6.802 -3.222 -9.003 70 HG3 PRO 8 2HG PRO 8 5.373 -3.740 -8.085 71 HD2 PRO 8 1HD PRO 8 7.386 -2.134 -7.046 72 HD3 PRO 8 2HD PRO 8 6.314 -3.150 -6.057 73 H ALA 9 H ALA 9 9.426 -6.739 -9.182 74 HA ALA 9 HA ALA 9 11.713 -5.211 -9.988 75 HB1 ALA 9 3HB ALA 9 11.722 -7.669 -9.996 76 HB2 ALA 9 1HB ALA 9 12.105 -7.030 -11.598 77 HB3 ALA 9 2HB ALA 9 10.498 -7.685 -11.268 78 H LYS 10 H LYS 10 8.529 -5.832 -11.379 79 HA LYS 10 HA LYS 10 8.952 -3.568 -13.230 80 HB2 LYS 10 1HB LYS 10 6.957 -4.544 -14.540 81 HB3 LYS 10 2HB LYS 10 8.516 -5.308 -14.729 82 HG2 LYS 10 1HG LYS 10 6.363 -6.407 -12.893 83 HG3 LYS 10 2HG LYS 10 6.486 -6.845 -14.596 84 HD2 LYS 10 1HD LYS 10 8.481 -7.423 -12.379 85 HD3 LYS 10 2HD LYS 10 7.556 -8.589 -13.332 86 HE2 LYS 10 1HE LYS 10 9.721 -6.750 -14.417 87 HE3 LYS 10 2HE LYS 10 9.939 -8.460 -14.024 88 HZ1 LYS 10 3HZ LYS 10 9.588 -8.165 -16.385 89 HZ2 LYS 10 1HZ LYS 10 8.120 -7.370 -16.116 90 HZ3 LYS 10 2HZ LYS 10 8.279 -9.007 -15.726 91 H THR 11 H THR 11 7.861 -1.866 -12.795 92 HA THR 11 HA THR 11 5.586 -1.882 -10.887 93 HB THR 11 HB THR 11 7.787 0.242 -11.085 94 HG1 THR 11 HG1 THR 11 7.922 -2.154 -9.904 95 HG21 THR 11 3HG2 THR 11 5.660 1.115 -10.200 96 HG22 THR 11 1HG2 THR 11 6.881 1.053 -8.928 97 HG23 THR 11 2HG2 THR 11 5.615 -0.174 -8.996 98 H ALA 12 H ALA 12 3.781 -1.011 -11.825 99 HA ALA 12 HA ALA 12 3.884 0.447 -14.332 100 HB1 ALA 12 3HB ALA 12 1.527 -0.189 -12.519 101 HB2 ALA 12 1HB ALA 12 2.080 -1.161 -13.887 102 HB3 ALA 12 2HB ALA 12 1.422 0.451 -14.162 103 H MET 13 H MET 13 3.223 2.647 -14.646 104 HA MET 13 HA MET 13 3.667 4.393 -12.326 105 HB2 MET 13 1HB MET 13 4.057 6.191 -13.886 106 HB3 MET 13 2HB MET 13 4.958 4.789 -14.435 107 HG2 MET 13 1HG MET 13 2.386 5.855 -15.625 108 HG3 MET 13 2HG MET 13 4.001 5.970 -16.325 109 HE1 MET 13 3HE MET 13 1.401 4.863 -17.882 110 HE2 MET 13 1HE MET 13 2.082 3.471 -18.718 111 HE3 MET 13 2HE MET 13 2.992 4.982 -18.638 112 H GLN 14 H GLN 14 2.010 5.201 -11.232 113 HA GLN 14 HA GLN 14 -0.724 5.008 -12.178 114 HB2 GLN 14 1HB GLN 14 -0.090 4.507 -9.812 115 HB3 GLN 14 2HB GLN 14 0.369 6.190 -9.590 116 HG2 GLN 14 1HG GLN 14 -1.819 5.799 -8.610 117 HG3 GLN 14 2HG GLN 14 -1.976 6.877 -9.994 118 HE21 GLN 14 2HE2 GLN 14 -2.620 3.653 -8.776 119 HE22 GLN 14 1HE2 GLN 14 -3.763 3.205 -9.993 120 H SER 15 H SER 15 1.686 7.544 -11.649 121 HA SER 15 HA SER 15 0.246 9.353 -13.419 122 HG SER 15 HG SER 15 -0.634 11.549 -12.598 123 HB2 SER 15 1HB SER 15 -0.707 9.843 -11.134 124 HB3 SER 15 2HB SER 15 0.912 10.270 -10.580 125 H GLY 16 H GLY 16 2.361 8.225 -14.271 126 HA2 GLY 16 1HA GLY 16 4.506 8.445 -15.072 127 HA3 GLY 16 2HA GLY 16 4.435 10.138 -14.595 128 H THR 17 H THR 17 4.118 7.311 -12.525 129 HA THR 17 HA THR 17 6.136 8.444 -10.692 130 HB THR 17 HB THR 17 4.835 7.035 -8.984 131 HG1 THR 17 HG1 THR 17 3.414 5.717 -9.806 132 HG21 THR 17 3HG2 THR 17 2.939 8.598 -8.820 133 HG22 THR 17 1HG2 THR 17 3.240 9.168 -10.465 134 HG23 THR 17 2HG2 THR 17 4.425 9.470 -9.192 135 H ALA 18 H ALA 18 6.636 6.438 -13.004 136 HA ALA 18 HA ALA 18 8.229 4.554 -11.394 137 HB1 ALA 18 3HB ALA 18 6.140 3.334 -11.909 138 HB2 ALA 18 1HB ALA 18 7.535 2.603 -12.705 139 HB3 ALA 18 2HB ALA 18 6.406 3.595 -13.633 140 H LYS 19 H LYS 19 9.998 5.841 -12.026 141 HA LYS 19 HA LYS 19 10.866 5.910 -14.798 142 HB2 LYS 19 1HB LYS 19 12.948 6.937 -13.880 143 HB3 LYS 19 2HB LYS 19 11.488 7.770 -13.368 144 HG2 LYS 19 1HG LYS 19 11.639 6.605 -11.154 145 HG3 LYS 19 2HG LYS 19 13.161 5.880 -11.675 146 HD2 LYS 19 1HD LYS 19 13.612 7.830 -10.266 147 HD3 LYS 19 2HD LYS 19 14.145 8.159 -11.917 148 HE2 LYS 19 1HE LYS 19 12.032 9.435 -12.313 149 HE3 LYS 19 2HE LYS 19 11.563 9.142 -10.637 150 HZ1 LYS 19 3HZ LYS 19 12.532 11.321 -10.909 151 HZ2 LYS 19 1HZ LYS 19 13.959 10.654 -11.531 152 HZ3 LYS 19 2HZ LYS 19 13.519 10.368 -9.926 153 H THR 20 H THR 20 11.651 4.136 -11.839 154 HA THR 20 HA THR 20 12.706 1.898 -13.429 155 HB THR 20 HB THR 20 14.380 1.449 -11.533 156 HG1 THR 20 HG1 THR 20 14.870 3.812 -10.617 157 HG21 THR 20 3HG2 THR 20 15.161 2.367 -13.693 158 HG22 THR 20 1HG2 THR 20 16.084 3.037 -12.345 159 HG23 THR 20 2HG2 THR 20 14.832 4.006 -13.122 160 H ASN 21 H ASN 21 12.347 2.387 -9.903 161 HA ASN 21 HA ASN 21 9.947 0.711 -9.781 162 HB2 ASN 21 1HB ASN 21 12.550 -0.009 -8.340 163 HB3 ASN 21 2HB ASN 21 10.983 -0.678 -7.903 164 HD21 ASN 21 2HD2 ASN 21 10.022 -1.058 -10.600 165 HD22 ASN 21 1HD2 ASN 21 10.946 -2.341 -11.285 166 H VAL 22 H VAL 22 8.583 1.612 -8.346 167 HA VAL 22 HA VAL 22 9.661 2.897 -5.891 168 HB VAL 22 HB VAL 22 7.520 4.217 -5.757 169 HG11 VAL 22 1HG1 VAL 22 8.114 5.942 -7.411 170 HG12 VAL 22 2HG1 VAL 22 9.160 4.787 -8.237 171 HG13 VAL 22 3HG1 VAL 22 9.547 5.303 -6.599 172 HG21 VAL 22 3HG2 VAL 22 6.098 4.475 -7.763 173 HG22 VAL 22 1HG2 VAL 22 6.098 2.806 -7.187 174 HG23 VAL 22 2HG2 VAL 22 7.054 3.251 -8.603 175 H TRP 23 H TRP 23 7.573 2.853 -4.249 176 HA TRP 23 HA TRP 23 7.228 -0.020 -3.795 177 HD1 TRP 23 HD1 TRP 23 9.531 2.797 -2.533 178 HE1 TRP 23 HE1 TRP 23 11.541 1.800 -1.306 179 HE3 TRP 23 HE3 TRP 23 7.252 -1.223 -0.332 180 HZ2 TRP 23 HZ2 TRP 23 12.118 -0.402 0.370 181 HZ3 TRP 23 HZ3 TRP 23 8.604 -2.733 1.067 182 HH2 TRP 23 HH2 TRP 23 10.991 -2.334 1.409 183 HB2 TRP 23 1HB TRP 23 6.800 2.399 -1.988 184 HB3 TRP 23 2HB TRP 23 6.386 0.751 -1.519 185 H VAL 24 H VAL 24 5.257 -0.941 -4.097 186 HA VAL 24 HA VAL 24 2.974 0.748 -4.857 187 HB VAL 24 HB VAL 24 3.417 -2.253 -5.268 188 HG11 VAL 24 1HG1 VAL 24 1.457 -2.155 -6.785 189 HG12 VAL 24 2HG1 VAL 24 1.207 -0.459 -6.366 190 HG13 VAL 24 3HG1 VAL 24 1.011 -1.708 -5.134 191 HG21 VAL 24 3HG2 VAL 24 3.788 -1.694 -7.651 192 HG22 VAL 24 1HG2 VAL 24 4.986 -0.906 -6.621 193 HG23 VAL 24 2HG2 VAL 24 3.639 0.024 -7.281 194 H LEU 25 H LEU 25 1.140 0.746 -3.691 195 HA LEU 25 HA LEU 25 0.867 -0.931 -1.271 196 HG LEU 25 HG LEU 25 -1.717 0.571 -0.329 197 HB2 LEU 25 1HB LEU 25 1.143 1.496 -0.809 198 HB3 LEU 25 2HB LEU 25 -0.181 1.870 -1.899 199 HD11 LEU 25 1HD1 LEU 25 -0.956 0.188 1.972 200 HD12 LEU 25 2HD1 LEU 25 0.683 0.664 1.517 201 HD13 LEU 25 3HD1 LEU 25 -0.051 -0.783 0.816 202 HD21 LEU 25 3HD2 LEU 25 -0.341 3.009 0.839 203 HD22 LEU 25 1HD2 LEU 25 -1.927 2.383 1.304 204 HD23 LEU 25 2HD2 LEU 25 -1.676 3.018 -0.319 205 H GLU 26 H GLU 26 -0.442 -2.545 -1.871 206 HA GLU 26 HA GLU 26 -2.805 -1.969 -3.597 207 HB2 GLU 26 1HB GLU 26 -0.966 -3.372 -4.666 208 HB3 GLU 26 2HB GLU 26 -1.275 -4.615 -3.459 209 HG2 GLU 26 1HG GLU 26 -3.561 -4.907 -4.299 210 HG3 GLU 26 2HG GLU 26 -3.331 -3.580 -5.440 211 H PHE 27 H PHE 27 -4.760 -2.526 -2.698 212 HA PHE 27 HA PHE 27 -4.788 -4.271 -0.313 213 HD1 PHE 27 HD1 PHE 27 -4.351 -0.132 -1.083 214 HD2 PHE 27 HD2 PHE 27 -8.203 -1.641 -0.002 215 HE1 PHE 27 HE1 PHE 27 -5.411 1.888 -1.986 216 HE2 PHE 27 HE2 PHE 27 -9.251 0.382 -0.918 217 HZ PHE 27 HZ PHE 27 -7.852 2.145 -1.906 218 HB2 PHE 27 1HB PHE 27 -6.175 -2.644 0.935 219 HB3 PHE 27 2HB PHE 27 -4.593 -1.991 0.556 220 H ASP 28 H ASP 28 -6.735 -5.287 0.165 221 HA ASP 28 HA ASP 28 -8.667 -5.747 -1.789 222 HB2 ASP 28 1HB ASP 28 -8.181 -7.215 0.174 223 HB3 ASP 28 2HB ASP 28 -8.905 -6.014 1.239 224 H ALA 29 H ALA 29 -9.506 -3.911 -2.632 225 HA ALA 29 HA ALA 29 -10.563 -1.734 -1.088 226 HB1 ALA 29 3HB ALA 29 -11.302 -0.847 -3.270 227 HB2 ALA 29 1HB ALA 29 -10.855 -2.373 -4.040 228 HB3 ALA 29 2HB ALA 29 -9.613 -1.360 -3.313 229 H GLU 30 H GLU 30 -12.189 -2.313 0.208 230 HA GLU 30 HA GLU 30 -14.191 -4.225 -0.381 231 HB2 GLU 30 1HB GLU 30 -15.290 -3.400 1.731 232 HB3 GLU 30 2HB GLU 30 -13.620 -3.919 1.916 233 HG2 GLU 30 1HG GLU 30 -12.897 -1.539 1.889 234 HG3 GLU 30 2HG GLU 30 -14.583 -1.045 1.762 235 H VAL 31 H VAL 31 -15.276 -3.775 -2.209 236 HA VAL 31 HA VAL 31 -16.996 -1.366 -2.259 237 HB VAL 31 HB VAL 31 -15.537 -1.391 -4.190 238 HG11 VAL 31 1HG1 VAL 31 -15.469 -3.188 -5.877 239 HG12 VAL 31 2HG1 VAL 31 -16.549 -4.171 -4.883 240 HG13 VAL 31 3HG1 VAL 31 -14.934 -3.769 -4.296 241 HG21 VAL 31 3HG2 VAL 31 -17.814 -0.566 -4.563 242 HG22 VAL 31 1HG2 VAL 31 -18.355 -2.185 -5.014 243 HG23 VAL 31 2HG2 VAL 31 -17.195 -1.326 -6.029 244 HA PRO 32 HA PRO 32 -20.248 -4.587 -1.647 245 HB2 PRO 32 1HB PRO 32 -21.782 -3.195 0.055 246 HB3 PRO 32 2HB PRO 32 -20.253 -3.892 0.613 247 HG2 PRO 32 1HG PRO 32 -20.850 -1.049 -0.204 248 HG3 PRO 32 2HG PRO 32 -19.954 -1.638 1.214 249 HD2 PRO 32 1HD PRO 32 -18.742 -0.792 -1.137 250 HD3 PRO 32 2HD PRO 32 -18.000 -1.921 0.013 251 H ARG 33 H ARG 33 -22.843 -3.285 -1.383 252 HA ARG 33 HA ARG 33 -23.688 -2.752 -3.960 253 HE ARG 33 HE ARG 33 -24.904 0.265 0.899 254 HB2 ARG 33 1HB ARG 33 -25.777 -2.021 -3.054 255 HB3 ARG 33 2HB ARG 33 -25.166 -3.253 -1.961 256 HG2 ARG 33 1HG ARG 33 -24.953 -0.262 -1.463 257 HG3 ARG 33 2HG ARG 33 -26.238 -1.288 -0.830 258 HD2 ARG 33 1HD ARG 33 -24.682 -2.513 0.539 259 HD3 ARG 33 2HD ARG 33 -23.299 -1.731 -0.232 260 HH11 ARG 33 1HH1 ARG 33 -22.951 -2.435 2.040 261 HH12 ARG 33 2HH1 ARG 33 -22.478 -1.629 3.497 262 HH21 ARG 33 1HH2 ARG 33 -24.292 1.296 2.806 263 HH22 ARG 33 2HH2 ARG 33 -23.255 0.490 3.940 264 H LYS 34 H LYS 34 -21.654 -0.685 -2.231 265 HA LYS 34 HA LYS 34 -22.403 1.896 -2.990 266 HB2 LYS 34 1HB LYS 34 -19.659 0.697 -2.466 267 HB3 LYS 34 2HB LYS 34 -19.873 2.404 -2.831 268 HG2 LYS 34 1HG LYS 34 -20.935 0.905 -0.424 269 HG3 LYS 34 2HG LYS 34 -19.662 2.128 -0.452 270 HD2 LYS 34 1HD LYS 34 -22.618 2.545 -1.008 271 HD3 LYS 34 2HD LYS 34 -21.724 3.109 0.406 272 HE2 LYS 34 1HE LYS 34 -21.409 4.081 -2.461 273 HE3 LYS 34 2HE LYS 34 -22.118 4.976 -1.119 274 HZ1 LYS 34 3HZ LYS 34 -19.951 5.033 -0.053 275 HZ2 LYS 34 1HZ LYS 34 -19.853 5.680 -1.612 276 HZ3 LYS 34 2HZ LYS 34 -19.276 4.125 -1.306 277 H ILE 35 H ILE 35 -21.441 -0.633 -5.087 278 HA ILE 35 HA ILE 35 -20.485 0.793 -7.281 279 HB ILE 35 HB ILE 35 -21.877 -0.995 -8.687 280 HG12 ILE 35 1HG1 ILE 35 -22.120 -3.178 -7.239 281 HG13 ILE 35 2HG1 ILE 35 -22.166 -2.105 -5.851 282 HG21 ILE 35 1HG2 ILE 35 -19.579 -1.809 -6.873 283 HG22 ILE 35 2HG2 ILE 35 -19.445 -1.005 -8.437 284 HG23 ILE 35 3HG2 ILE 35 -20.073 -2.650 -8.345 285 HD11 ILE 35 3HD1 ILE 35 -24.369 -2.855 -6.554 286 HD12 ILE 35 1HD1 ILE 35 -24.139 -2.098 -8.130 287 HD13 ILE 35 2HD1 ILE 35 -24.212 -1.106 -6.672 288 H ASP 36 H ASP 36 -21.235 2.718 -7.774 289 HA ASP 36 HA ASP 36 -23.682 3.799 -7.056 290 HB2 ASP 36 1HB ASP 36 -21.774 4.771 -9.230 291 HB3 ASP 36 2HB ASP 36 -23.069 5.732 -8.524 292 HA PRO 37 HA PRO 37 -26.586 2.405 -10.298 293 HB2 PRO 37 1HB PRO 37 -28.401 4.540 -9.969 294 HB3 PRO 37 2HB PRO 37 -28.427 3.025 -9.061 295 HG2 PRO 37 1HG PRO 37 -27.232 5.676 -8.295 296 HG3 PRO 37 2HG PRO 37 -28.156 4.533 -7.297 297 HD2 PRO 37 1HD PRO 37 -25.491 4.674 -7.081 298 HD3 PRO 37 2HD PRO 37 -26.306 3.094 -7.014 299 H ILE 38 H ILE 38 -24.914 5.423 -10.174 300 HA ILE 38 HA ILE 38 -25.482 6.555 -12.681 301 HB ILE 38 HB ILE 38 -22.811 6.572 -11.186 302 HG12 ILE 38 1HG1 ILE 38 -24.631 7.348 -9.705 303 HG13 ILE 38 2HG1 ILE 38 -23.573 8.685 -10.127 304 HG21 ILE 38 1HG2 ILE 38 -22.554 7.380 -13.485 305 HG22 ILE 38 2HG2 ILE 38 -22.379 8.719 -12.352 306 HG23 ILE 38 3HG2 ILE 38 -23.879 8.526 -13.264 307 HD11 ILE 38 3HD1 ILE 38 -25.242 9.473 -11.752 308 HD12 ILE 38 1HD1 ILE 38 -25.891 9.373 -10.116 309 HD13 ILE 38 2HD1 ILE 38 -26.301 8.134 -11.301 310 H MET 39 H MET 39 -23.174 4.027 -11.706 311 HA MET 39 HA MET 39 -22.762 3.232 -14.540 312 HB2 MET 39 1HB MET 39 -20.988 2.670 -12.113 313 HB3 MET 39 2HB MET 39 -20.708 2.056 -13.735 314 HG2 MET 39 1HG MET 39 -20.431 4.403 -14.536 315 HG3 MET 39 2HG MET 39 -20.608 4.952 -12.867 316 HE1 MET 39 3HE MET 39 -18.780 1.653 -14.068 317 HE2 MET 39 1HE MET 39 -17.126 2.228 -14.267 318 HE3 MET 39 2HE MET 39 -18.392 2.795 -15.353 319 H GLY 40 H GLY 40 -24.501 1.856 -14.803 320 HA2 GLY 40 1HA GLY 40 -25.580 0.071 -12.916 321 HA3 GLY 40 2HA GLY 40 -25.798 -0.029 -14.654 322 H TYR 41 H TYR 41 -24.197 -1.322 -11.909 323 HA TYR 41 HA TYR 41 -22.811 -3.382 -13.539 324 HD1 TYR 41 HD1 TYR 41 -20.413 -3.749 -14.110 325 HD2 TYR 41 HD2 TYR 41 -20.288 -3.595 -9.839 326 HE1 TYR 41 HE1 TYR 41 -18.655 -5.465 -14.098 327 HE2 TYR 41 HE2 TYR 41 -18.528 -5.309 -9.829 328 HH TYR 41 HH TYR 41 -17.720 -7.123 -11.306 329 HB2 TYR 41 1HB TYR 41 -21.232 -1.638 -12.589 330 HB3 TYR 41 2HB TYR 41 -21.742 -2.108 -10.972 331 H THR 42 H THR 42 -25.435 -3.089 -11.914 332 HA THR 42 HA THR 42 -25.234 -4.721 -9.581 333 HB THR 42 HB THR 42 -27.783 -4.696 -9.714 334 HG1 THR 42 HG1 THR 42 -27.581 -4.324 -12.159 335 HG21 THR 42 3HG2 THR 42 -27.989 -2.307 -9.179 336 HG22 THR 42 1HG2 THR 42 -26.412 -1.981 -9.904 337 HG23 THR 42 2HG2 THR 42 -26.528 -2.969 -8.443 338 H SER 43 H SER 43 -25.260 -5.584 -12.862 339 HA SER 43 HA SER 43 -26.565 -8.120 -12.745 340 HG SER 43 HG SER 43 -26.766 -7.082 -15.829 341 HB2 SER 43 1HB SER 43 -24.450 -7.115 -14.696 342 HB3 SER 43 2HB SER 43 -25.506 -8.511 -14.941 343 H SER 44 H SER 44 -23.457 -7.034 -11.635 344 HA SER 44 HA SER 44 -22.762 -9.766 -10.801 345 HG SER 44 HG SER 44 -22.286 -10.198 -13.000 346 HB2 SER 44 1HB SER 44 -20.819 -7.933 -12.278 347 HB3 SER 44 2HB SER 44 -20.386 -9.465 -11.512 348 H SER 45 H SER 45 -23.019 -9.392 -8.633 349 HA SER 45 HA SER 45 -21.566 -7.194 -7.316 350 HG SER 45 HG SER 45 -23.411 -7.469 -4.472 351 HB2 SER 45 1HB SER 45 -23.883 -7.699 -6.550 352 HB3 SER 45 2HB SER 45 -23.387 -9.330 -6.108 353 H ASP 46 H ASP 46 -19.470 -7.845 -7.759 354 HA ASP 46 HA ASP 46 -18.459 -10.461 -7.036 355 HB2 ASP 46 1HB ASP 46 -17.024 -7.933 -7.967 356 HB3 ASP 46 2HB ASP 46 -16.255 -9.506 -7.745 357 H MET 47 H MET 47 -17.068 -10.951 -5.357 358 HA MET 47 HA MET 47 -17.386 -9.431 -2.939 359 HB2 MET 47 1HB MET 47 -15.807 -11.950 -3.562 360 HB3 MET 47 2HB MET 47 -15.802 -11.197 -1.969 361 HG2 MET 47 1HG MET 47 -17.374 -13.058 -2.044 362 HG3 MET 47 2HG MET 47 -18.232 -11.538 -1.794 363 HE1 MET 47 3HE MET 47 -20.800 -13.617 -3.908 364 HE2 MET 47 1HE MET 47 -20.545 -12.685 -2.432 365 HE3 MET 47 2HE MET 47 -19.713 -14.227 -2.659 366 H LYS 48 H LYS 48 -16.495 -7.481 -3.362 367 HA LYS 48 HA LYS 48 -15.006 -5.829 -3.242 368 HB2 LYS 48 1HB LYS 48 -13.177 -7.980 -2.107 369 HB3 LYS 48 2HB LYS 48 -12.766 -6.275 -2.146 370 HG2 LYS 48 1HG LYS 48 -13.490 -6.620 0.043 371 HG3 LYS 48 2HG LYS 48 -14.886 -5.886 -0.741 372 HD2 LYS 48 1HD LYS 48 -15.545 -7.734 0.753 373 HD3 LYS 48 2HD LYS 48 -15.961 -8.076 -0.926 374 HE2 LYS 48 1HE LYS 48 -15.027 -10.050 0.266 375 HE3 LYS 48 2HE LYS 48 -14.073 -9.592 -1.144 376 HZ1 LYS 48 3HZ LYS 48 -12.523 -8.460 0.362 377 HZ2 LYS 48 1HZ LYS 48 -12.651 -10.115 0.695 378 HZ3 LYS 48 2HZ LYS 48 -13.430 -8.994 1.689 379 H GLN 49 H GLN 49 -12.409 -5.437 -3.782 380 HA GLN 49 HA GLN 49 -11.483 -6.887 -6.141 381 HB2 GLN 49 1HB GLN 49 -11.205 -4.787 -7.470 382 HB3 GLN 49 2HB GLN 49 -12.899 -5.135 -7.141 383 HG2 GLN 49 1HG GLN 49 -12.925 -3.459 -5.351 384 HG3 GLN 49 2HG GLN 49 -11.212 -3.138 -5.611 385 HE21 GLN 49 2HE2 GLN 49 -11.638 -0.947 -6.003 386 HE22 GLN 49 1HE2 GLN 49 -12.346 -0.401 -7.479 387 H GLN 50 H GLN 50 -9.302 -5.387 -6.807 388 HA GLN 50 HA GLN 50 -8.013 -4.414 -4.359 389 HB2 GLN 50 1HB GLN 50 -5.964 -5.660 -4.673 390 HB3 GLN 50 2HB GLN 50 -7.296 -6.796 -4.586 391 HG2 GLN 50 1HG GLN 50 -5.891 -5.942 -7.139 392 HG3 GLN 50 2HG GLN 50 -5.579 -7.432 -6.260 393 HE21 GLN 50 2HE2 GLN 50 -6.512 -6.951 -9.029 394 HE22 GLN 50 1HE2 GLN 50 -7.984 -7.843 -9.186 395 H VAL 51 H VAL 51 -7.600 -2.302 -4.845 396 HA VAL 51 HA VAL 51 -6.395 -1.643 -7.443 397 HB VAL 51 HB VAL 51 -6.986 0.711 -6.903 398 HG11 VAL 51 1HG1 VAL 51 -9.382 -1.160 -6.732 399 HG12 VAL 51 2HG1 VAL 51 -8.595 -0.611 -8.213 400 HG13 VAL 51 3HG1 VAL 51 -9.438 0.547 -7.185 401 HG21 VAL 51 3HG2 VAL 51 -8.468 1.254 -4.989 402 HG22 VAL 51 1HG2 VAL 51 -6.908 0.626 -4.452 403 HG23 VAL 51 2HG2 VAL 51 -8.335 -0.412 -4.418 404 H LYS 52 H LYS 52 -4.763 0.237 -7.197 405 HA LYS 52 HA LYS 52 -3.053 -0.074 -4.886 406 HB2 LYS 52 1HB LYS 52 -1.045 -0.657 -6.415 407 HB3 LYS 52 2HB LYS 52 -2.169 -1.917 -5.957 408 HG2 LYS 52 1HG LYS 52 -1.667 -2.324 -8.210 409 HG3 LYS 52 2HG LYS 52 -3.284 -1.620 -8.210 410 HD2 LYS 52 1HD LYS 52 -2.361 0.553 -8.903 411 HD3 LYS 52 2HD LYS 52 -0.720 -0.100 -8.817 412 HE2 LYS 52 1HE LYS 52 -1.272 -1.715 -10.608 413 HE3 LYS 52 2HE LYS 52 -2.905 -1.046 -10.705 414 HZ1 LYS 52 3HZ LYS 52 -1.470 -0.159 -12.415 415 HZ2 LYS 52 1HZ LYS 52 -0.394 0.437 -11.258 416 HZ3 LYS 52 2HZ LYS 52 -1.962 1.067 -11.367 417 H LEU 53 H LEU 53 -1.386 1.299 -4.692 418 HA LEU 53 HA LEU 53 -1.446 3.826 -6.241 419 HG LEU 53 HG LEU 53 -3.338 4.907 -4.738 420 HB2 LEU 53 1HB LEU 53 -1.101 3.508 -3.213 421 HB3 LEU 53 2HB LEU 53 -0.852 5.003 -4.095 422 HD11 LEU 53 1HD1 LEU 53 -3.804 2.559 -4.271 423 HD12 LEU 53 2HD1 LEU 53 -4.835 3.599 -3.298 424 HD13 LEU 53 3HD1 LEU 53 -3.443 2.802 -2.561 425 HD21 LEU 53 3HD2 LEU 53 -4.076 5.860 -2.597 426 HD22 LEU 53 1HD2 LEU 53 -2.468 6.443 -3.028 427 HD23 LEU 53 2HD2 LEU 53 -2.651 5.194 -1.794 428 H THR 54 H THR 54 0.666 4.920 -6.237 429 HA THR 54 HA THR 54 3.002 3.215 -5.590 430 HB THR 54 HB THR 54 4.115 4.590 -7.506 431 HG1 THR 54 HG1 THR 54 1.951 5.894 -7.521 432 HG21 THR 54 3HG2 THR 54 3.313 3.057 -9.254 433 HG22 THR 54 1HG2 THR 54 1.946 2.586 -8.239 434 HG23 THR 54 2HG2 THR 54 3.595 2.187 -7.746 435 H PHE 55 H PHE 55 4.422 4.075 -4.274 436 HA PHE 55 HA PHE 55 4.613 6.988 -3.752 437 HD1 PHE 55 HD1 PHE 55 3.113 8.071 -1.400 438 HD2 PHE 55 HD2 PHE 55 2.451 3.874 -1.891 439 HE1 PHE 55 HE1 PHE 55 0.726 8.379 -0.918 440 HE2 PHE 55 HE2 PHE 55 0.063 4.199 -1.412 441 HZ PHE 55 HZ PHE 55 -0.803 6.452 -0.923 442 HB2 PHE 55 1HB PHE 55 4.718 4.738 -1.670 443 HB3 PHE 55 2HB PHE 55 5.006 6.443 -1.340 444 H GLU 56 H GLU 56 6.767 7.651 -3.180 445 HA GLU 56 HA GLU 56 8.802 6.286 -4.660 446 HB2 GLU 56 1HB GLU 56 9.224 8.549 -2.648 447 HB3 GLU 56 2HB GLU 56 10.365 8.017 -3.875 448 HG2 GLU 56 1HG GLU 56 9.479 9.960 -4.799 449 HG3 GLU 56 2HG GLU 56 8.543 8.694 -5.591 450 H THR 57 H THR 57 7.815 6.252 -1.328 451 HA THR 57 HA THR 57 9.961 4.371 -0.574 452 HB THR 57 HB THR 57 10.058 5.460 1.702 453 HG1 THR 57 HG1 THR 57 9.199 7.750 1.625 454 HG21 THR 57 3HG2 THR 57 11.789 6.061 0.030 455 HG22 THR 57 1HG2 THR 57 11.407 7.425 1.086 456 HG23 THR 57 2HG2 THR 57 10.765 7.376 -0.557 457 H GLN 58 H GLN 58 9.390 2.949 1.171 458 HA GLN 58 HA GLN 58 6.782 1.945 1.357 459 HB2 GLN 58 1HB GLN 58 8.705 0.613 2.036 460 HB3 GLN 58 2HB GLN 58 9.118 1.763 3.304 461 HG2 GLN 58 1HG GLN 58 6.909 1.195 4.406 462 HG3 GLN 58 2HG GLN 58 6.723 -0.089 3.213 463 HE21 GLN 58 2HE2 GLN 58 7.023 -0.075 6.166 464 HE22 GLN 58 1HE2 GLN 58 8.288 -1.208 6.481 465 H GLU 59 H GLU 59 8.515 4.290 3.351 466 HA GLU 59 HA GLU 59 6.915 4.587 5.551 467 HB2 GLU 59 1HB GLU 59 8.404 6.801 4.088 468 HB3 GLU 59 2HB GLU 59 7.851 6.872 5.761 469 HG2 GLU 59 1HG GLU 59 9.354 4.962 6.300 470 HG3 GLU 59 2HG GLU 59 9.948 4.992 4.638 471 H GLN 60 H GLN 60 6.525 6.208 2.405 472 HA GLN 60 HA GLN 60 4.372 7.921 3.182 473 HB2 GLN 60 1HB GLN 60 5.286 7.003 0.428 474 HB3 GLN 60 2HB GLN 60 4.097 8.272 0.714 475 HG2 GLN 60 1HG GLN 60 5.796 9.634 1.851 476 HG3 GLN 60 2HG GLN 60 6.991 8.359 1.619 477 HE21 GLN 60 2HE2 GLN 60 7.832 8.002 -0.471 478 HE22 GLN 60 1HE2 GLN 60 7.672 9.179 -1.725 479 H ALA 61 H ALA 61 4.503 4.593 1.899 480 HA ALA 61 HA ALA 61 1.714 4.399 1.243 481 HB1 ALA 61 3HB ALA 61 3.808 2.225 1.644 482 HB2 ALA 61 1HB ALA 61 3.426 3.026 0.117 483 HB3 ALA 61 2HB ALA 61 2.219 2.006 0.901 484 H GLU 62 H GLU 62 3.749 3.351 3.955 485 HA GLU 62 HA GLU 62 1.644 2.034 5.352 486 HB2 GLU 62 1HB GLU 62 3.208 1.666 7.152 487 HB3 GLU 62 2HB GLU 62 3.991 1.362 5.609 488 HG2 GLU 62 1HG GLU 62 5.125 3.538 5.755 489 HG3 GLU 62 2HG GLU 62 4.350 3.841 7.309 490 H ALA 63 H ALA 63 3.141 5.257 5.757 491 HA ALA 63 HA ALA 63 1.759 6.078 8.027 492 HB1 ALA 63 3HB ALA 63 3.689 7.280 7.074 493 HB2 ALA 63 1HB ALA 63 2.320 8.365 7.326 494 HB3 ALA 63 2HB ALA 63 2.702 7.784 5.703 495 H TYR 64 H TYR 64 0.750 6.005 4.648 496 HA TYR 64 HA TYR 64 -1.680 7.454 4.941 497 HD1 TYR 64 HD1 TYR 64 -3.404 8.039 3.658 498 HD2 TYR 64 HD2 TYR 64 -2.393 4.723 1.156 499 HE1 TYR 64 HE1 TYR 64 -5.635 8.141 2.628 500 HE2 TYR 64 HE2 TYR 64 -4.615 4.828 0.118 501 HH TYR 64 HH TYR 64 -6.746 7.464 0.563 502 HB2 TYR 64 1HB TYR 64 -0.714 7.074 2.715 503 HB3 TYR 64 2HB TYR 64 -0.884 5.330 2.908 504 H ALA 65 H ALA 65 -1.039 3.918 4.796 505 HA ALA 65 HA ALA 65 -3.571 2.942 5.339 506 HB1 ALA 65 3HB ALA 65 -0.914 1.705 6.138 507 HB2 ALA 65 1HB ALA 65 -1.704 1.543 4.569 508 HB3 ALA 65 2HB ALA 65 -2.455 0.847 6.006 509 H GLN 66 H GLN 66 -1.038 3.768 7.684 510 HA GLN 66 HA GLN 66 -2.288 2.938 10.061 511 HB2 GLN 66 1HB GLN 66 -0.093 4.989 9.536 512 HB3 GLN 66 2HB GLN 66 -0.614 4.560 11.164 513 HG2 GLN 66 1HG GLN 66 0.102 2.248 10.827 514 HG3 GLN 66 2HG GLN 66 0.521 2.590 9.152 515 HE21 GLN 66 2HE2 GLN 66 2.439 3.731 8.708 516 HE22 GLN 66 1HE2 GLN 66 3.670 3.964 9.895 517 H ARG 67 H ARG 67 -2.180 6.090 8.433 518 HA ARG 67 HA ARG 67 -3.638 7.699 10.187 519 HE ARG 67 HE ARG 67 -1.743 10.428 7.303 520 HB2 ARG 67 1HB ARG 67 -2.349 8.409 8.146 521 HB3 ARG 67 2HB ARG 67 -3.641 7.777 7.140 522 HG2 ARG 67 1HG ARG 67 -5.189 9.464 8.237 523 HG3 ARG 67 2HG ARG 67 -3.766 10.146 9.036 524 HD2 ARG 67 1HD ARG 67 -4.400 10.070 6.073 525 HD3 ARG 67 2HD ARG 67 -4.097 11.481 7.090 526 HH11 ARG 67 1HH1 ARG 67 -3.662 10.434 4.339 527 HH12 ARG 67 2HH1 ARG 67 -2.278 10.268 3.311 528 HH21 ARG 67 1HH2 ARG 67 0.031 10.133 5.944 529 HH22 ARG 67 2HH2 ARG 67 -0.184 10.086 4.227 530 H LYS 68 H LYS 68 -4.738 5.344 7.804 531 HA LYS 68 HA LYS 68 -7.559 6.139 8.049 532 HB2 LYS 68 1HB LYS 68 -6.445 3.868 6.368 533 HB3 LYS 68 2HB LYS 68 -7.992 4.681 6.187 534 HG2 LYS 68 1HG LYS 68 -5.245 5.715 5.489 535 HG3 LYS 68 2HG LYS 68 -6.571 5.358 4.394 536 HD2 LYS 68 1HD LYS 68 -6.452 7.641 6.401 537 HD3 LYS 68 2HD LYS 68 -6.252 7.774 4.655 538 HE2 LYS 68 1HE LYS 68 -8.773 7.059 6.172 539 HE3 LYS 68 2HE LYS 68 -8.467 8.482 5.175 540 HZ1 LYS 68 3HZ LYS 68 -8.697 5.685 4.197 541 HZ2 LYS 68 1HZ LYS 68 -8.327 7.021 3.233 542 HZ3 LYS 68 2HZ LYS 68 -9.836 6.917 3.987 543 H GLY 69 H GLY 69 -5.362 3.909 9.469 544 HA2 GLY 69 1HA GLY 69 -5.757 2.380 11.161 545 HA3 GLY 69 2HA GLY 69 -7.481 2.418 10.818 546 H ILE 70 H ILE 70 -5.982 2.096 7.916 547 HA ILE 70 HA ILE 70 -6.840 -0.490 7.345 548 HB ILE 70 HB ILE 70 -4.577 0.970 5.899 549 HG12 ILE 70 1HG1 ILE 70 -7.553 0.852 5.220 550 HG13 ILE 70 2HG1 ILE 70 -6.749 2.229 5.962 551 HG21 ILE 70 1HG2 ILE 70 -6.272 -1.375 4.934 552 HG22 ILE 70 2HG2 ILE 70 -4.557 -1.437 5.348 553 HG23 ILE 70 3HG2 ILE 70 -5.093 -0.493 3.958 554 HD11 ILE 70 3HD1 ILE 70 -6.212 1.133 3.200 555 HD12 ILE 70 1HD1 ILE 70 -5.364 2.493 3.945 556 HD13 ILE 70 2HD1 ILE 70 -7.090 2.605 3.607 557 H GLU 71 H GLU 71 -6.249 -2.310 8.267 558 HA GLU 71 HA GLU 71 -3.754 -2.978 9.403 559 HB2 GLU 71 1HB GLU 71 -4.411 -5.377 9.055 560 HB3 GLU 71 2HB GLU 71 -5.637 -4.429 9.891 561 HG2 GLU 71 1HG GLU 71 -7.075 -4.414 7.995 562 HG3 GLU 71 2HG GLU 71 -5.788 -4.919 6.904 563 H TYR 72 H TYR 72 -1.759 -3.578 8.426 564 HA TYR 72 HA TYR 72 -1.765 -4.261 5.584 565 HD1 TYR 72 HD2 TYR 72 -1.212 -0.803 8.081 566 HD2 TYR 72 HD1 TYR 72 2.057 -2.383 5.834 567 HE1 TYR 72 HE2 TYR 72 0.369 0.357 9.557 568 HE2 TYR 72 HE1 TYR 72 3.637 -1.213 7.303 569 HH TYR 72 HH TYR 72 3.708 0.679 8.830 570 HB2 TYR 72 1HB TYR 72 -0.205 -2.535 4.944 571 HB3 TYR 72 2HB TYR 72 -1.545 -1.753 5.762 572 H ARG 73 H ARG 73 -0.060 -5.429 4.897 573 HA ARG 73 HA ARG 73 2.049 -6.186 6.827 574 HE ARG 73 HE ARG 73 0.606 -9.923 8.929 575 HB2 ARG 73 1HB ARG 73 0.540 -7.802 4.754 576 HB3 ARG 73 2HB ARG 73 2.196 -8.256 5.137 577 HG2 ARG 73 1HG ARG 73 -0.064 -8.063 7.164 578 HG3 ARG 73 2HG ARG 73 0.537 -9.555 6.431 579 HD2 ARG 73 1HD ARG 73 2.803 -9.040 7.399 580 HD3 ARG 73 2HD ARG 73 2.083 -7.665 8.241 581 HH11 ARG 73 1HH1 ARG 73 3.890 -8.740 9.422 582 HH12 ARG 73 2HH1 ARG 73 4.117 -9.642 10.884 583 HH21 ARG 73 1HH2 ARG 73 0.950 -11.110 10.849 584 HH22 ARG 73 2HH2 ARG 73 2.457 -10.967 11.692 585 H VAL 74 H VAL 74 3.940 -5.364 6.336 586 HA VAL 74 HA VAL 74 4.695 -4.473 3.686 587 HB VAL 74 HB VAL 74 6.374 -4.776 6.224 588 HG11 VAL 74 1HG1 VAL 74 8.033 -3.297 5.100 589 HG12 VAL 74 2HG1 VAL 74 7.081 -3.356 3.617 590 HG13 VAL 74 3HG1 VAL 74 7.832 -4.827 4.240 591 HG21 VAL 74 3HG2 VAL 74 5.083 -2.282 5.041 592 HG22 VAL 74 1HG2 VAL 74 6.136 -2.324 6.454 593 HG23 VAL 74 2HG2 VAL 74 4.564 -3.125 6.505 594 H ILE 75 H ILE 75 5.441 -5.784 2.197 595 HA ILE 75 HA ILE 75 6.919 -8.257 2.833 596 HB ILE 75 HB ILE 75 5.659 -7.467 0.135 597 HG12 ILE 75 1HG1 ILE 75 4.198 -9.597 0.587 598 HG13 ILE 75 2HG1 ILE 75 4.685 -9.439 2.269 599 HG21 ILE 75 1HG2 ILE 75 7.702 -8.792 -0.149 600 HG22 ILE 75 2HG2 ILE 75 6.295 -9.752 -0.601 601 HG23 ILE 75 3HG2 ILE 75 7.091 -10.035 0.948 602 HD11 ILE 75 3HD1 ILE 75 3.151 -7.395 0.668 603 HD12 ILE 75 1HD1 ILE 75 3.613 -7.251 2.366 604 HD13 ILE 75 2HD1 ILE 75 2.486 -8.510 1.862 605 H LEU 76 H LEU 76 9.078 -7.928 2.687 606 HA LEU 76 HA LEU 76 10.322 -5.608 1.740 607 HG LEU 76 HG LEU 76 10.793 -7.643 4.287 608 HB2 LEU 76 1HB LEU 76 11.483 -8.395 2.094 609 HB3 LEU 76 2HB LEU 76 12.440 -6.943 1.828 610 HD11 LEU 76 1HD1 LEU 76 12.935 -7.461 5.457 611 HD12 LEU 76 2HD1 LEU 76 13.751 -7.094 3.937 612 HD13 LEU 76 3HD1 LEU 76 13.000 -8.674 4.179 613 HD21 LEU 76 3HD2 LEU 76 11.460 -5.456 5.241 614 HD22 LEU 76 1HD2 LEU 76 10.387 -5.277 3.854 615 HD23 LEU 76 2HD2 LEU 76 12.118 -4.975 3.675 616 HA PRO 77 HA PRO 77 10.289 -6.044 -2.660 617 HB2 PRO 77 1HB PRO 77 12.674 -4.876 -3.399 618 HB3 PRO 77 2HB PRO 77 11.268 -3.961 -2.848 619 HG2 PRO 77 1HG PRO 77 13.697 -4.808 -1.286 620 HG3 PRO 77 2HG PRO 77 12.866 -3.237 -1.296 621 HD2 PRO 77 1HD PRO 77 12.481 -5.046 0.681 622 HD3 PRO 77 2HD PRO 77 11.165 -3.991 0.119 623 H LYS 78 H LYS 78 11.303 -7.077 -4.481 624 HA LYS 78 HA LYS 78 12.303 -9.646 -4.076 625 HB2 LYS 78 1HB LYS 78 12.569 -9.804 -6.456 626 HB3 LYS 78 2HB LYS 78 11.191 -8.752 -6.185 627 HG2 LYS 78 1HG LYS 78 13.988 -7.787 -6.880 628 HG3 LYS 78 2HG LYS 78 12.690 -8.012 -8.051 629 HD2 LYS 78 1HD LYS 78 11.383 -6.225 -7.011 630 HD3 LYS 78 2HD LYS 78 12.549 -6.082 -5.693 631 HE2 LYS 78 1HE LYS 78 14.253 -5.273 -7.256 632 HE3 LYS 78 2HE LYS 78 13.149 -5.498 -8.615 633 HZ1 LYS 78 3HZ LYS 78 12.786 -3.599 -6.362 634 HZ2 LYS 78 1HZ LYS 78 11.688 -3.830 -7.629 635 HZ3 LYS 78 2HZ LYS 78 13.225 -3.205 -7.948 636 H GLU 79 H GLU 79 13.984 -6.625 -4.332 637 HA GLU 79 HA GLU 79 16.589 -7.625 -4.992 638 HB2 GLU 79 1HB GLU 79 17.269 -5.256 -4.760 639 HB3 GLU 79 2HB GLU 79 15.793 -5.400 -5.712 640 HG2 GLU 79 1HG GLU 79 14.587 -4.963 -3.417 641 HG3 GLU 79 2HG GLU 79 16.146 -4.325 -2.920 642 H ALA 80 H ALA 80 14.813 -7.126 -2.039 643 HA ALA 80 HA ALA 80 17.009 -6.655 -0.260 644 HB1 ALA 80 3HB ALA 80 14.740 -5.858 0.235 645 HB2 ALA 80 1HB ALA 80 15.333 -6.904 1.526 646 HB3 ALA 80 2HB ALA 80 14.167 -7.521 0.352 Start of MODEL 15 1 H MET 1 H MET 1 -10.156 -3.659 6.154 2 HA MET 1 HA MET 1 -10.044 -3.621 3.752 3 HB2 MET 1 1HB MET 1 -9.061 -0.758 4.152 4 HB3 MET 1 2HB MET 1 -9.106 -1.623 2.613 5 HG2 MET 1 1HG MET 1 -10.947 -0.098 2.705 6 HG3 MET 1 2HG MET 1 -11.585 -1.735 2.799 7 HE1 MET 1 3HE MET 1 -14.100 0.316 5.025 8 HE2 MET 1 1HE MET 1 -13.933 -0.762 3.640 9 HE3 MET 1 2HE MET 1 -13.293 0.882 3.564 10 H SER 2 H SER 2 -7.979 -4.276 2.821 11 HA SER 2 HA SER 2 -5.832 -4.408 4.858 12 HG SER 2 HG SER 2 -7.999 -6.087 4.814 13 HB2 SER 2 1HB SER 2 -6.683 -6.510 2.811 14 HB3 SER 2 2HB SER 2 -5.367 -6.672 3.983 15 H ALA 3 H ALA 3 -3.986 -3.480 4.219 16 HA ALA 3 HA ALA 3 -3.735 -2.603 1.404 17 HB1 ALA 3 3HB ALA 3 -2.539 -1.473 3.963 18 HB2 ALA 3 1HB ALA 3 -3.868 -0.789 3.015 19 HB3 ALA 3 2HB ALA 3 -2.244 -0.855 2.338 20 H LYS 4 H LYS 4 -2.136 -3.478 0.229 21 HA LYS 4 HA LYS 4 -0.032 -5.044 1.575 22 HB2 LYS 4 1HB LYS 4 0.162 -6.370 -0.505 23 HB3 LYS 4 2HB LYS 4 -1.426 -6.516 0.227 24 HG2 LYS 4 1HG LYS 4 -2.390 -5.055 -1.463 25 HG3 LYS 4 2HG LYS 4 -0.792 -4.755 -2.156 26 HD2 LYS 4 1HD LYS 4 -0.604 -7.161 -2.747 27 HD3 LYS 4 2HD LYS 4 -2.204 -7.454 -2.058 28 HE2 LYS 4 1HE LYS 4 -3.203 -5.954 -3.744 29 HE3 LYS 4 2HE LYS 4 -1.603 -5.644 -4.422 30 HZ1 LYS 4 3HZ LYS 4 -2.806 -7.289 -5.691 31 HZ2 LYS 4 1HZ LYS 4 -2.960 -8.281 -4.330 32 HZ3 LYS 4 2HZ LYS 4 -1.433 -7.980 -4.989 33 H ILE 5 H ILE 5 1.865 -4.159 1.481 34 HA ILE 5 HA ILE 5 2.438 -1.925 -0.376 35 HB ILE 5 HB ILE 5 3.665 -2.640 2.331 36 HG12 ILE 5 1HG1 ILE 5 2.006 -0.192 1.598 37 HG13 ILE 5 2HG1 ILE 5 1.320 -1.629 2.349 38 HG21 ILE 5 1HG2 ILE 5 4.981 -0.559 2.149 39 HG22 ILE 5 2HG2 ILE 5 4.333 -0.277 0.533 40 HG23 ILE 5 3HG2 ILE 5 5.373 -1.672 0.830 41 HD11 ILE 5 3HD1 ILE 5 2.794 -1.267 4.295 42 HD12 ILE 5 1HD1 ILE 5 1.704 0.084 3.988 43 HD13 ILE 5 2HD1 ILE 5 3.402 0.206 3.530 44 H TYR 6 H TYR 6 3.831 -2.407 -1.933 45 HA TYR 6 HA TYR 6 6.029 -4.270 -1.584 46 HD1 TYR 6 HD1 TYR 6 2.014 -4.585 -2.285 47 HD2 TYR 6 HD2 TYR 6 4.516 -5.045 -5.728 48 HE1 TYR 6 HE1 TYR 6 0.099 -4.113 -3.734 49 HE2 TYR 6 HE2 TYR 6 2.587 -4.565 -7.178 50 HH TYR 6 HH TYR 6 -0.400 -3.349 -5.947 51 HB2 TYR 6 1HB TYR 6 5.368 -5.667 -3.560 52 HB3 TYR 6 2HB TYR 6 4.269 -5.854 -2.201 53 H ARG 7 H ARG 7 7.103 -4.451 -3.856 54 HA ARG 7 HA ARG 7 7.001 -1.919 -5.353 55 HE ARG 7 HE ARG 7 12.334 -0.437 -6.056 56 HB2 ARG 7 1HB ARG 7 8.611 -1.625 -3.481 57 HB3 ARG 7 2HB ARG 7 9.508 -3.027 -4.030 58 HG2 ARG 7 1HG ARG 7 10.123 -1.814 -6.109 59 HG3 ARG 7 2HG ARG 7 9.200 -0.418 -5.555 60 HD2 ARG 7 1HD ARG 7 10.659 -0.161 -3.621 61 HD3 ARG 7 2HD ARG 7 11.531 -1.624 -4.052 62 HH11 ARG 7 1HH1 ARG 7 11.096 1.540 -3.440 63 HH12 ARG 7 2HH1 ARG 7 12.131 2.882 -3.784 64 HH21 ARG 7 1HH2 ARG 7 13.728 1.331 -6.481 65 HH22 ARG 7 2HH2 ARG 7 13.622 2.761 -5.514 66 HA PRO 8 HA PRO 8 7.113 -5.565 -8.115 67 HB2 PRO 8 1HB PRO 8 6.304 -3.583 -10.211 68 HB3 PRO 8 2HB PRO 8 5.499 -5.072 -9.697 69 HG2 PRO 8 1HG PRO 8 4.505 -2.651 -9.065 70 HG3 PRO 8 2HG PRO 8 4.389 -4.021 -7.937 71 HD2 PRO 8 1HD PRO 8 6.346 -1.710 -7.923 72 HD3 PRO 8 2HD PRO 8 5.447 -2.438 -6.569 73 H ALA 9 H ALA 9 8.889 -6.310 -9.145 74 HA ALA 9 HA ALA 9 11.172 -4.819 -9.859 75 HB1 ALA 9 3HB ALA 9 11.251 -7.229 -9.367 76 HB2 ALA 9 1HB ALA 9 11.937 -6.900 -10.959 77 HB3 ALA 9 2HB ALA 9 10.312 -7.576 -10.820 78 H LYS 10 H LYS 10 8.361 -5.881 -11.660 79 HA LYS 10 HA LYS 10 8.691 -3.715 -13.557 80 HB2 LYS 10 1HB LYS 10 8.398 -5.135 -15.555 81 HB3 LYS 10 2HB LYS 10 9.888 -5.529 -14.707 82 HG2 LYS 10 1HG LYS 10 8.692 -7.506 -13.680 83 HG3 LYS 10 2HG LYS 10 7.318 -7.154 -14.734 84 HD2 LYS 10 1HD LYS 10 10.144 -7.889 -15.607 85 HD3 LYS 10 2HD LYS 10 8.709 -8.908 -15.733 86 HE2 LYS 10 1HE LYS 10 7.739 -7.420 -17.404 87 HE3 LYS 10 2HE LYS 10 9.044 -6.254 -17.183 88 HZ1 LYS 10 3HZ LYS 10 10.598 -7.891 -18.031 89 HZ2 LYS 10 1HZ LYS 10 9.370 -7.573 -19.151 90 HZ3 LYS 10 2HZ LYS 10 9.338 -8.998 -18.249 91 H THR 11 H THR 11 6.650 -3.220 -14.606 92 HA THR 11 HA THR 11 4.214 -4.404 -13.563 93 HB THR 11 HB THR 11 4.911 -3.143 -11.592 94 HG1 THR 11 HG1 THR 11 2.800 -2.879 -11.582 95 HG21 THR 11 3HG2 THR 11 5.255 -0.701 -11.610 96 HG22 THR 11 1HG2 THR 11 5.076 -0.682 -13.366 97 HG23 THR 11 2HG2 THR 11 6.443 -1.521 -12.625 98 H ALA 12 H ALA 12 2.303 -2.847 -14.108 99 HA ALA 12 HA ALA 12 2.520 -2.007 -16.913 100 HB1 ALA 12 3HB ALA 12 0.079 -2.275 -15.114 101 HB2 ALA 12 1HB ALA 12 0.671 -3.501 -16.237 102 HB3 ALA 12 2HB ALA 12 0.058 -1.966 -16.854 103 H MET 13 H MET 13 3.029 -0.503 -14.000 104 HA MET 13 HA MET 13 1.650 1.968 -14.212 105 HB2 MET 13 1HB MET 13 4.322 1.414 -12.830 106 HB3 MET 13 2HB MET 13 3.327 2.846 -12.596 107 HG2 MET 13 1HG MET 13 2.517 0.029 -11.860 108 HG3 MET 13 2HG MET 13 3.145 1.245 -10.742 109 HE1 MET 13 3HE MET 13 1.130 1.242 -9.066 110 HE2 MET 13 1HE MET 13 0.535 -0.159 -9.955 111 HE3 MET 13 2HE MET 13 -0.553 1.181 -9.590 112 H GLN 14 H GLN 14 1.828 2.822 -16.303 113 HA GLN 14 HA GLN 14 4.362 3.270 -17.604 114 HB2 GLN 14 1HB GLN 14 1.649 4.479 -18.294 115 HB3 GLN 14 2HB GLN 14 3.077 4.448 -19.329 116 HG2 GLN 14 1HG GLN 14 2.936 1.958 -19.385 117 HG3 GLN 14 2HG GLN 14 1.459 2.047 -18.422 118 HE21 GLN 14 2HE2 GLN 14 0.109 1.166 -19.962 119 HE22 GLN 14 1HE2 GLN 14 -0.267 1.931 -21.467 120 H SER 15 H SER 15 5.728 4.671 -16.673 121 HA SER 15 HA SER 15 5.026 7.403 -16.072 122 HG SER 15 HG SER 15 4.593 8.084 -13.463 123 HB2 SER 15 1HB SER 15 4.201 6.059 -14.051 124 HB3 SER 15 2HB SER 15 5.876 5.606 -13.743 125 H GLY 16 H GLY 16 7.132 8.273 -14.647 126 HA2 GLY 16 1HA GLY 16 9.446 7.805 -16.365 127 HA3 GLY 16 2HA GLY 16 9.291 9.013 -15.101 128 H THR 17 H THR 17 8.697 5.557 -14.636 129 HA THR 17 HA THR 17 10.768 5.418 -12.588 130 HB THR 17 HB THR 17 9.752 3.103 -12.181 131 HG1 THR 17 HG1 THR 17 8.775 2.618 -14.093 132 HG21 THR 17 3HG2 THR 17 7.682 3.939 -11.127 133 HG22 THR 17 1HG2 THR 17 7.799 5.435 -12.056 134 HG23 THR 17 2HG2 THR 17 9.016 5.056 -10.834 135 H ALA 18 H ALA 18 12.504 5.667 -14.134 136 HA ALA 18 HA ALA 18 13.122 3.421 -15.928 137 HB1 ALA 18 3HB ALA 18 14.639 6.009 -15.396 138 HB2 ALA 18 1HB ALA 18 13.504 5.727 -16.716 139 HB3 ALA 18 2HB ALA 18 15.018 4.825 -16.653 140 H LYS 19 H LYS 19 14.258 1.743 -15.222 141 HA LYS 19 HA LYS 19 15.695 0.371 -14.199 142 HB2 LYS 19 1HB LYS 19 17.464 1.985 -14.743 143 HB3 LYS 19 2HB LYS 19 17.106 2.914 -13.290 144 HG2 LYS 19 1HG LYS 19 17.851 1.049 -11.879 145 HG3 LYS 19 2HG LYS 19 18.146 0.061 -13.315 146 HD2 LYS 19 1HD LYS 19 19.896 1.660 -14.052 147 HD3 LYS 19 2HD LYS 19 19.605 2.647 -12.616 148 HE2 LYS 19 1HE LYS 19 20.340 0.780 -11.177 149 HE3 LYS 19 2HE LYS 19 20.579 -0.235 -12.601 150 HZ1 LYS 19 3HZ LYS 19 22.291 1.288 -13.359 151 HZ2 LYS 19 1HZ LYS 19 22.654 0.711 -11.813 152 HZ3 LYS 19 2HZ LYS 19 22.052 2.274 -12.007 153 H THR 20 H THR 20 15.615 3.008 -11.755 154 HA THR 20 HA THR 20 15.036 1.177 -9.624 155 HB THR 20 HB THR 20 14.817 3.314 -8.243 156 HG1 THR 20 HG1 THR 20 14.229 4.802 -9.798 157 HG21 THR 20 3HG2 THR 20 17.371 2.978 -9.862 158 HG22 THR 20 1HG2 THR 20 16.961 2.107 -8.381 159 HG23 THR 20 2HG2 THR 20 17.235 3.851 -8.333 160 H ASN 21 H ASN 21 13.147 0.651 -8.795 161 HA ASN 21 HA ASN 21 10.689 1.343 -10.199 162 HB2 ASN 21 1HB ASN 21 11.194 -0.689 -7.968 163 HB3 ASN 21 2HB ASN 21 9.774 -0.614 -9.011 164 HD21 ASN 21 2HD2 ASN 21 9.963 -1.330 -11.188 165 HD22 ASN 21 1HD2 ASN 21 11.308 -2.271 -11.723 166 H VAL 22 H VAL 22 8.703 1.178 -8.516 167 HA VAL 22 HA VAL 22 9.125 3.021 -6.235 168 HB VAL 22 HB VAL 22 8.212 4.251 -8.244 169 HG11 VAL 22 1HG1 VAL 22 6.919 2.458 -9.309 170 HG12 VAL 22 2HG1 VAL 22 5.899 3.868 -9.020 171 HG13 VAL 22 3HG1 VAL 22 5.771 2.459 -7.966 172 HG21 VAL 22 3HG2 VAL 22 7.730 5.090 -5.994 173 HG22 VAL 22 1HG2 VAL 22 6.285 4.078 -5.905 174 HG23 VAL 22 2HG2 VAL 22 6.368 5.402 -7.070 175 H TRP 23 H TRP 23 7.340 2.803 -4.610 176 HA TRP 23 HA TRP 23 6.622 -0.013 -4.285 177 HD1 TRP 23 HD1 TRP 23 9.191 2.489 -2.783 178 HE1 TRP 23 HE1 TRP 23 11.055 1.209 -1.577 179 HE3 TRP 23 HE3 TRP 23 6.446 -1.393 -0.904 180 HZ2 TRP 23 HZ2 TRP 23 11.347 -1.136 -0.050 181 HZ3 TRP 23 HZ3 TRP 23 7.594 -3.130 0.414 182 HH2 TRP 23 HH2 TRP 23 10.005 -3.001 0.828 183 HB2 TRP 23 1HB TRP 23 6.448 2.355 -2.358 184 HB3 TRP 23 2HB TRP 23 5.831 0.749 -1.979 185 H VAL 24 H VAL 24 4.514 -0.696 -4.619 186 HA VAL 24 HA VAL 24 2.398 1.311 -5.010 187 HB VAL 24 HB VAL 24 2.362 -1.685 -5.645 188 HG11 VAL 24 1HG1 VAL 24 0.331 0.479 -6.345 189 HG12 VAL 24 2HG1 VAL 24 0.094 -0.833 -5.188 190 HG13 VAL 24 3HG1 VAL 24 0.276 -1.198 -6.903 191 HG21 VAL 24 3HG2 VAL 24 3.936 -0.520 -7.127 192 HG22 VAL 24 1HG2 VAL 24 2.692 0.667 -7.544 193 HG23 VAL 24 2HG2 VAL 24 2.496 -1.022 -8.022 194 H LEU 25 H LEU 25 0.758 1.412 -3.634 195 HA LEU 25 HA LEU 25 0.493 -0.430 -1.346 196 HG LEU 25 HG LEU 25 0.270 0.920 1.027 197 HB2 LEU 25 1HB LEU 25 1.170 2.060 -0.943 198 HB3 LEU 25 2HB LEU 25 -0.436 2.490 -1.498 199 HD11 LEU 25 1HD1 LEU 25 -0.975 3.658 0.656 200 HD12 LEU 25 2HD1 LEU 25 0.681 3.319 1.172 201 HD13 LEU 25 3HD1 LEU 25 -0.671 2.848 2.195 202 HD21 LEU 25 3HD2 LEU 25 -2.122 0.981 1.609 203 HD22 LEU 25 1HD2 LEU 25 -1.824 0.011 0.168 204 HD23 LEU 25 2HD2 LEU 25 -2.500 1.634 0.011 205 H GLU 26 H GLU 26 -1.090 -1.743 -1.972 206 HA GLU 26 HA GLU 26 -3.435 -0.646 -3.452 207 HB2 GLU 26 1HB GLU 26 -1.923 -2.265 -4.748 208 HB3 GLU 26 2HB GLU 26 -2.445 -3.523 -3.636 209 HG2 GLU 26 1HG GLU 26 -4.801 -3.151 -4.347 210 HG3 GLU 26 2HG GLU 26 -4.250 -1.917 -5.478 211 H PHE 27 H PHE 27 -5.373 -0.944 -2.455 212 HA PHE 27 HA PHE 27 -5.729 -3.027 -0.484 213 HD1 PHE 27 HD2 PHE 27 -4.420 1.014 -0.307 214 HD2 PHE 27 HD1 PHE 27 -8.247 0.021 1.337 215 HE1 PHE 27 HE2 PHE 27 -5.038 3.390 -0.279 216 HE2 PHE 27 HE1 PHE 27 -8.845 2.399 1.368 217 HZ PHE 27 HZ PHE 27 -7.247 4.093 0.564 218 HB2 PHE 27 1HB PHE 27 -6.497 -1.619 1.332 219 HB3 PHE 27 2HB PHE 27 -4.858 -1.190 0.906 220 H ASP 28 H ASP 28 -7.859 -3.365 0.139 221 HA ASP 28 HA ASP 28 -9.882 -3.266 -1.797 222 HB2 ASP 28 1HB ASP 28 -10.281 -3.228 1.242 223 HB3 ASP 28 2HB ASP 28 -11.437 -3.798 0.043 224 H ALA 29 H ALA 29 -10.483 -1.298 -2.695 225 HA ALA 29 HA ALA 29 -10.191 1.254 -1.888 226 HB1 ALA 29 3HB ALA 29 -11.003 0.606 -4.116 227 HB2 ALA 29 1HB ALA 29 -11.997 1.897 -3.427 228 HB3 ALA 29 2HB ALA 29 -12.587 0.232 -3.437 229 H GLU 30 H GLU 30 -10.850 2.481 -0.290 230 HA GLU 30 HA GLU 30 -12.711 1.613 1.688 231 HB2 GLU 30 1HB GLU 30 -12.226 3.912 2.723 232 HB3 GLU 30 2HB GLU 30 -10.859 2.824 2.528 233 HG2 GLU 30 1HG GLU 30 -10.136 4.052 0.520 234 HG3 GLU 30 2HG GLU 30 -11.523 5.132 0.673 235 H VAL 31 H VAL 31 -14.514 1.318 0.353 236 HA VAL 31 HA VAL 31 -16.332 3.581 0.242 237 HB VAL 31 HB VAL 31 -15.367 3.632 -2.034 238 HG11 VAL 31 1HG1 VAL 31 -15.526 1.732 -3.608 239 HG12 VAL 31 2HG1 VAL 31 -16.171 0.717 -2.317 240 HG13 VAL 31 3HG1 VAL 31 -14.524 1.335 -2.207 241 HG21 VAL 31 3HG2 VAL 31 -17.772 4.139 -1.842 242 HG22 VAL 31 1HG2 VAL 31 -18.166 2.437 -2.096 243 HG23 VAL 31 2HG2 VAL 31 -17.423 3.376 -3.395 244 HA PRO 32 HA PRO 32 -18.916 0.114 1.739 245 HB2 PRO 32 1HB PRO 32 -21.340 1.402 1.691 246 HB3 PRO 32 2HB PRO 32 -20.134 1.689 2.953 247 HG2 PRO 32 1HG PRO 32 -20.674 3.300 0.455 248 HG3 PRO 32 2HG PRO 32 -20.459 3.876 2.124 249 HD2 PRO 32 1HD PRO 32 -18.436 3.979 0.349 250 HD3 PRO 32 2HD PRO 32 -18.133 3.597 2.059 251 H ARG 33 H ARG 33 -21.372 -0.586 0.895 252 HA ARG 33 HA ARG 33 -20.971 -1.545 -1.767 253 HE ARG 33 HE ARG 33 -24.980 -2.355 -1.869 254 HB2 ARG 33 1HB ARG 33 -23.186 -2.635 -1.507 255 HB3 ARG 33 2HB ARG 33 -22.082 -2.967 -0.194 256 HG2 ARG 33 1HG ARG 33 -24.184 -2.727 0.824 257 HG3 ARG 33 2HG ARG 33 -23.346 -1.215 1.168 258 HD2 ARG 33 1HD ARG 33 -25.767 -0.959 0.537 259 HD3 ARG 33 2HD ARG 33 -24.653 -0.040 -0.476 260 HH11 ARG 33 1HH1 ARG 33 -27.335 -0.135 -0.520 261 HH12 ARG 33 2HH1 ARG 33 -28.450 -0.333 -1.832 262 HH21 ARG 33 1HH2 ARG 33 -26.432 -2.593 -3.594 263 HH22 ARG 33 2HH2 ARG 33 -27.938 -1.728 -3.581 264 H LYS 34 H LYS 34 -21.855 1.469 -0.854 265 HA LYS 34 HA LYS 34 -23.676 2.243 -2.898 266 HB2 LYS 34 1HB LYS 34 -21.565 3.922 -1.458 267 HB3 LYS 34 2HB LYS 34 -22.949 4.543 -2.353 268 HG2 LYS 34 1HG LYS 34 -23.092 2.893 0.196 269 HG3 LYS 34 2HG LYS 34 -23.271 4.644 0.103 270 HD2 LYS 34 1HD LYS 34 -25.135 2.608 -1.198 271 HD3 LYS 34 2HD LYS 34 -25.463 3.478 0.302 272 HE2 LYS 34 1HE LYS 34 -25.442 5.615 -0.919 273 HE3 LYS 34 2HE LYS 34 -25.082 4.766 -2.426 274 HZ1 LYS 34 3HZ LYS 34 -27.533 4.472 -0.780 275 HZ2 LYS 34 1HZ LYS 34 -27.194 3.586 -2.184 276 HZ3 LYS 34 2HZ LYS 34 -27.408 5.263 -2.269 277 H ILE 35 H ILE 35 -22.720 0.956 -4.593 278 HA ILE 35 HA ILE 35 -20.458 2.218 -6.037 279 HB ILE 35 HB ILE 35 -19.923 -0.069 -6.960 280 HG12 ILE 35 1HG1 ILE 35 -21.921 -1.047 -4.859 281 HG13 ILE 35 2HG1 ILE 35 -22.117 -1.152 -6.601 282 HG21 ILE 35 1HG2 ILE 35 -19.704 0.121 -3.935 283 HG22 ILE 35 2HG2 ILE 35 -18.594 0.839 -5.105 284 HG23 ILE 35 3HG2 ILE 35 -18.725 -0.915 -4.978 285 HD11 ILE 35 3HD1 ILE 35 -20.266 -2.738 -6.715 286 HD12 ILE 35 1HD1 ILE 35 -21.547 -3.293 -5.639 287 HD13 ILE 35 2HD1 ILE 35 -20.059 -2.630 -4.965 288 H ASP 36 H ASP 36 -20.606 1.805 -8.448 289 HA ASP 36 HA ASP 36 -23.190 2.355 -9.496 290 HB2 ASP 36 1HB ASP 36 -20.622 1.482 -10.886 291 HB3 ASP 36 2HB ASP 36 -22.080 1.951 -11.755 292 HA PRO 37 HA PRO 37 -24.617 -2.023 -9.603 293 HB2 PRO 37 1HB PRO 37 -27.015 -1.455 -10.899 294 HB3 PRO 37 2HB PRO 37 -26.785 -1.371 -9.150 295 HG2 PRO 37 1HG PRO 37 -26.698 0.854 -11.183 296 HG3 PRO 37 2HG PRO 37 -27.470 0.829 -9.582 297 HD2 PRO 37 1HD PRO 37 -25.100 2.046 -9.953 298 HD3 PRO 37 2HD PRO 37 -25.430 1.150 -8.455 299 H ILE 38 H ILE 38 -24.128 0.245 -12.182 300 HA ILE 38 HA ILE 38 -24.393 -1.385 -14.471 301 HB ILE 38 HB ILE 38 -22.539 0.999 -14.003 302 HG12 ILE 38 1HG1 ILE 38 -24.908 1.577 -13.610 303 HG13 ILE 38 2HG1 ILE 38 -24.306 2.378 -15.052 304 HG21 ILE 38 1HG2 ILE 38 -21.809 -0.251 -15.983 305 HG22 ILE 38 2HG2 ILE 38 -22.517 1.290 -16.463 306 HG23 ILE 38 3HG2 ILE 38 -23.441 -0.202 -16.654 307 HD11 ILE 38 3HD1 ILE 38 -26.080 -0.064 -14.984 308 HD12 ILE 38 1HD1 ILE 38 -25.475 0.729 -16.443 309 HD13 ILE 38 2HD1 ILE 38 -26.568 1.586 -15.360 310 H MET 39 H MET 39 -21.612 -0.718 -12.342 311 HA MET 39 HA MET 39 -19.975 -2.786 -13.737 312 HB2 MET 39 1HB MET 39 -19.055 -0.289 -12.236 313 HB3 MET 39 2HB MET 39 -17.988 -1.480 -12.974 314 HG2 MET 39 1HG MET 39 -18.915 -0.914 -15.198 315 HG3 MET 39 2HG MET 39 -19.952 0.296 -14.445 316 HE1 MET 39 3HE MET 39 -19.050 2.521 -13.309 317 HE2 MET 39 1HE MET 39 -17.338 2.929 -13.168 318 HE3 MET 39 2HE MET 39 -18.005 1.587 -12.238 319 H GLY 40 H GLY 40 -21.900 -2.829 -11.309 320 HA2 GLY 40 1HA GLY 40 -20.186 -3.462 -9.035 321 HA3 GLY 40 2HA GLY 40 -21.941 -3.422 -9.061 322 H TYR 41 H TYR 41 -19.661 -5.237 -11.074 323 HA TYR 41 HA TYR 41 -19.988 -7.713 -9.697 324 HD1 TYR 41 HD2 TYR 41 -21.794 -5.496 -12.596 325 HD2 TYR 41 HD1 TYR 41 -20.943 -9.536 -13.711 326 HE1 TYR 41 HE2 TYR 41 -22.027 -4.898 -14.966 327 HE2 TYR 41 HE1 TYR 41 -21.176 -8.938 -16.079 328 HH TYR 41 HH TYR 41 -22.270 -7.218 -17.453 329 HB2 TYR 41 1HB TYR 41 -21.095 -9.030 -11.423 330 HB3 TYR 41 2HB TYR 41 -22.135 -7.688 -10.984 331 H THR 42 H THR 42 -18.927 -5.992 -12.598 332 HA THR 42 HA THR 42 -16.715 -7.790 -13.150 333 HB THR 42 HB THR 42 -16.111 -5.925 -14.846 334 HG1 THR 42 HG1 THR 42 -17.567 -4.286 -15.127 335 HG21 THR 42 3HG2 THR 42 -17.910 -6.520 -16.421 336 HG22 THR 42 1HG2 THR 42 -18.863 -7.195 -15.099 337 HG23 THR 42 2HG2 THR 42 -17.335 -7.947 -15.561 338 H SER 43 H SER 43 -16.741 -4.243 -12.591 339 HA SER 43 HA SER 43 -14.003 -4.143 -11.758 340 HG SER 43 HG SER 43 -14.862 -1.392 -13.556 341 HB2 SER 43 1HB SER 43 -16.172 -2.009 -11.523 342 HB3 SER 43 2HB SER 43 -14.423 -1.740 -11.480 343 H SER 44 H SER 44 -17.121 -3.804 -10.104 344 HA SER 44 HA SER 44 -15.806 -4.155 -7.479 345 HG SER 44 HG SER 44 -16.183 -1.795 -7.736 346 HB2 SER 44 1HB SER 44 -18.625 -3.160 -8.086 347 HB3 SER 44 2HB SER 44 -17.830 -3.172 -6.509 348 H SER 45 H SER 45 -15.521 -6.406 -7.887 349 HA SER 45 HA SER 45 -17.596 -8.237 -8.494 350 HG SER 45 HG SER 45 -15.640 -8.497 -9.812 351 HB2 SER 45 1HB SER 45 -14.944 -8.736 -7.074 352 HB3 SER 45 2HB SER 45 -15.942 -9.956 -7.887 353 H ASP 46 H ASP 46 -16.619 -6.719 -5.527 354 HA ASP 46 HA ASP 46 -18.660 -8.218 -3.991 355 HB2 ASP 46 1HB ASP 46 -17.180 -8.286 -2.069 356 HB3 ASP 46 2HB ASP 46 -16.311 -8.963 -3.437 357 H MET 47 H MET 47 -18.072 -6.493 -1.614 358 HA MET 47 HA MET 47 -19.871 -4.406 -1.852 359 HB2 MET 47 1HB MET 47 -19.125 -5.258 0.303 360 HB3 MET 47 2HB MET 47 -17.483 -4.720 -0.009 361 HG2 MET 47 1HG MET 47 -18.152 -2.399 0.174 362 HG3 MET 47 2HG MET 47 -19.847 -2.859 0.336 363 HE1 MET 47 3HE MET 47 -20.005 -4.404 3.909 364 HE2 MET 47 1HE MET 47 -19.934 -5.247 2.358 365 HE3 MET 47 2HE MET 47 -20.931 -3.802 2.536 366 H LYS 48 H LYS 48 -16.622 -4.481 -2.987 367 HA LYS 48 HA LYS 48 -16.515 -1.633 -3.648 368 HB2 LYS 48 1HB LYS 48 -14.320 -1.449 -2.350 369 HB3 LYS 48 2HB LYS 48 -15.763 -1.623 -1.347 370 HG2 LYS 48 1HG LYS 48 -15.133 -4.229 -1.547 371 HG3 LYS 48 2HG LYS 48 -13.523 -3.564 -1.817 372 HD2 LYS 48 1HD LYS 48 -13.491 -2.539 0.347 373 HD3 LYS 48 2HD LYS 48 -15.236 -2.795 0.557 374 HE2 LYS 48 1HE LYS 48 -13.534 -4.401 1.776 375 HE3 LYS 48 2HE LYS 48 -14.993 -5.063 1.043 376 HZ1 LYS 48 3HZ LYS 48 -12.949 -6.342 0.563 377 HZ2 LYS 48 1HZ LYS 48 -12.339 -5.031 -0.303 378 HZ3 LYS 48 2HZ LYS 48 -13.741 -5.811 -0.827 379 H GLN 49 H GLN 49 -13.985 -1.341 -4.363 380 HA GLN 49 HA GLN 49 -13.202 -3.597 -6.125 381 HB2 GLN 49 1HB GLN 49 -12.497 -1.924 -7.821 382 HB3 GLN 49 2HB GLN 49 -14.223 -1.825 -7.495 383 HG2 GLN 49 1HG GLN 49 -13.839 0.147 -6.051 384 HG3 GLN 49 2HG GLN 49 -12.108 0.054 -6.388 385 HE21 GLN 49 2HE2 GLN 49 -12.011 2.108 -7.360 386 HE22 GLN 49 1HE2 GLN 49 -12.756 2.459 -8.878 387 H GLN 50 H GLN 50 -10.773 -2.380 -7.002 388 HA GLN 50 HA GLN 50 -9.225 -2.222 -4.481 389 HB2 GLN 50 1HB GLN 50 -7.266 -2.916 -5.703 390 HB3 GLN 50 2HB GLN 50 -8.561 -4.038 -6.083 391 HG2 GLN 50 1HG GLN 50 -7.665 -1.773 -7.893 392 HG3 GLN 50 2HG GLN 50 -7.109 -3.437 -8.032 393 HE21 GLN 50 2HE2 GLN 50 -8.578 -5.017 -8.795 394 HE22 GLN 50 1HE2 GLN 50 -10.010 -4.585 -9.656 395 H VAL 51 H VAL 51 -7.586 -0.675 -4.289 396 HA VAL 51 HA VAL 51 -7.453 1.574 -6.191 397 HB VAL 51 HB VAL 51 -9.060 2.312 -4.435 398 HG11 VAL 51 1HG1 VAL 51 -8.357 2.674 -2.112 399 HG12 VAL 51 2HG1 VAL 51 -6.788 1.946 -2.461 400 HG13 VAL 51 3HG1 VAL 51 -8.253 0.966 -2.551 401 HG21 VAL 51 3HG2 VAL 51 -6.415 3.815 -4.287 402 HG22 VAL 51 1HG2 VAL 51 -7.996 4.464 -3.839 403 HG23 VAL 51 2HG2 VAL 51 -7.663 4.030 -5.516 404 H LYS 52 H LYS 52 -5.407 2.539 -6.298 405 HA LYS 52 HA LYS 52 -3.290 1.411 -4.590 406 HB2 LYS 52 1HB LYS 52 -1.890 0.979 -6.640 407 HB3 LYS 52 2HB LYS 52 -3.286 -0.071 -6.444 408 HG2 LYS 52 1HG LYS 52 -4.524 1.434 -8.088 409 HG3 LYS 52 2HG LYS 52 -2.979 2.230 -8.400 410 HD2 LYS 52 1HD LYS 52 -3.451 0.522 -10.106 411 HD3 LYS 52 2HD LYS 52 -2.022 0.084 -9.166 412 HE2 LYS 52 1HE LYS 52 -3.384 -1.476 -7.826 413 HE3 LYS 52 2HE LYS 52 -4.821 -1.035 -8.754 414 HZ1 LYS 52 3HZ LYS 52 -3.802 -1.944 -10.715 415 HZ2 LYS 52 1HZ LYS 52 -3.809 -3.106 -9.491 416 HZ3 LYS 52 2HZ LYS 52 -2.377 -2.293 -9.872 417 H LEU 53 H LEU 53 -1.789 2.725 -4.019 418 HA LEU 53 HA LEU 53 -1.428 5.390 -5.266 419 HG LEU 53 HG LEU 53 -3.273 6.288 -3.538 420 HB2 LEU 53 1HB LEU 53 -1.025 4.631 -2.324 421 HB3 LEU 53 2HB LEU 53 -0.724 6.208 -3.028 422 HD11 LEU 53 1HD1 LEU 53 -4.733 4.940 -2.093 423 HD12 LEU 53 2HD1 LEU 53 -3.334 4.046 -1.490 424 HD13 LEU 53 3HD1 LEU 53 -3.803 3.918 -3.187 425 HD21 LEU 53 3HD2 LEU 53 -2.202 7.667 -1.797 426 HD22 LEU 53 1HD2 LEU 53 -2.368 6.347 -0.634 427 HD23 LEU 53 2HD2 LEU 53 -3.805 7.136 -1.294 428 H THR 54 H THR 54 0.829 6.085 -5.406 429 HA THR 54 HA THR 54 2.814 3.910 -4.969 430 HB THR 54 HB THR 54 4.119 5.012 -6.871 431 HG1 THR 54 HG1 THR 54 3.057 6.996 -7.008 432 HG21 THR 54 3HG2 THR 54 1.409 3.823 -7.589 433 HG22 THR 54 1HG2 THR 54 2.876 2.904 -7.223 434 HG23 THR 54 2HG2 THR 54 2.807 3.924 -8.660 435 H PHE 55 H PHE 55 4.584 4.324 -3.786 436 HA PHE 55 HA PHE 55 5.275 7.082 -2.937 437 HD1 PHE 55 HD1 PHE 55 2.629 4.311 -1.477 438 HD2 PHE 55 HD2 PHE 55 4.194 8.061 -0.126 439 HE1 PHE 55 HE1 PHE 55 0.382 5.013 -0.783 440 HE2 PHE 55 HE2 PHE 55 1.936 8.747 0.560 441 HZ PHE 55 HZ PHE 55 0.025 7.221 0.233 442 HB2 PHE 55 1HB PHE 55 5.063 4.625 -1.110 443 HB3 PHE 55 2HB PHE 55 5.699 6.191 -0.623 444 H GLU 56 H GLU 56 7.508 7.336 -2.397 445 HA GLU 56 HA GLU 56 9.273 5.851 -4.092 446 HB2 GLU 56 1HB GLU 56 9.983 7.890 -1.941 447 HB3 GLU 56 2HB GLU 56 11.039 7.346 -3.242 448 HG2 GLU 56 1HG GLU 56 9.559 8.355 -4.909 449 HG3 GLU 56 2HG GLU 56 8.431 8.844 -3.644 450 H THR 57 H THR 57 8.467 5.609 -0.700 451 HA THR 57 HA THR 57 10.365 3.363 -0.340 452 HB THR 57 HB THR 57 10.816 4.116 2.006 453 HG1 THR 57 HG1 THR 57 10.224 6.366 2.481 454 HG21 THR 57 3HG2 THR 57 11.550 6.238 -0.051 455 HG22 THR 57 1HG2 THR 57 12.453 4.757 0.267 456 HG23 THR 57 2HG2 THR 57 12.333 6.000 1.513 457 H GLN 58 H GLN 58 9.751 1.856 1.354 458 HA GLN 58 HA GLN 58 7.065 1.167 1.667 459 HB2 GLN 58 1HB GLN 58 8.857 -0.435 2.080 460 HB3 GLN 58 2HB GLN 58 9.479 0.532 3.412 461 HG2 GLN 58 1HG GLN 58 7.273 0.096 4.616 462 HG3 GLN 58 2HG GLN 58 6.893 -1.050 3.331 463 HE21 GLN 58 2HE2 GLN 58 7.424 -1.367 6.268 464 HE22 GLN 58 1HE2 GLN 58 8.612 -2.618 6.353 465 H GLU 59 H GLU 59 9.207 3.073 3.740 466 HA GLU 59 HA GLU 59 7.664 3.250 6.042 467 HB2 GLU 59 1HB GLU 59 9.599 5.363 5.012 468 HB3 GLU 59 2HB GLU 59 9.060 5.158 6.679 469 HG2 GLU 59 1HG GLU 59 10.116 2.836 6.597 470 HG3 GLU 59 2HG GLU 59 10.842 3.314 5.066 471 H GLN 60 H GLN 60 7.551 5.249 3.119 472 HA GLN 60 HA GLN 60 5.699 7.199 4.148 473 HB2 GLN 60 1HB GLN 60 6.487 6.501 1.295 474 HB3 GLN 60 2HB GLN 60 5.466 7.869 1.737 475 HG2 GLN 60 1HG GLN 60 7.331 8.838 3.039 476 HG3 GLN 60 2HG GLN 60 8.359 7.483 2.567 477 HE21 GLN 60 2HE2 GLN 60 9.013 7.315 0.370 478 HE22 GLN 60 1HE2 GLN 60 8.975 8.687 -0.680 479 H ALA 61 H ALA 61 5.352 4.053 2.502 480 HA ALA 61 HA ALA 61 2.600 4.446 1.757 481 HB1 ALA 61 3HB ALA 61 4.085 2.993 0.450 482 HB2 ALA 61 1HB ALA 61 2.711 2.077 1.067 483 HB3 ALA 61 2HB ALA 61 4.297 1.915 1.831 484 H GLU 62 H GLU 62 4.333 2.729 4.339 485 HA GLU 62 HA GLU 62 1.979 1.809 5.643 486 HB2 GLU 62 1HB GLU 62 3.412 1.178 7.516 487 HB3 GLU 62 2HB GLU 62 4.119 0.687 5.981 488 HG2 GLU 62 1HG GLU 62 5.680 2.569 6.069 489 HG3 GLU 62 2HG GLU 62 4.950 3.123 7.576 490 H ALA 63 H ALA 63 3.937 4.756 6.002 491 HA ALA 63 HA ALA 63 2.809 5.898 8.239 492 HB1 ALA 63 3HB ALA 63 3.403 8.080 7.251 493 HB2 ALA 63 1HB ALA 63 3.576 7.323 5.663 494 HB3 ALA 63 2HB ALA 63 4.679 6.893 6.972 495 H TYR 64 H TYR 64 1.483 5.739 4.961 496 HA TYR 64 HA TYR 64 -0.790 7.405 5.327 497 HD1 TYR 64 HD2 TYR 64 -2.030 8.331 2.699 498 HD2 TYR 64 HD1 TYR 64 -2.353 4.079 3.063 499 HE1 TYR 64 HE2 TYR 64 -4.281 8.403 1.701 500 HE2 TYR 64 HE1 TYR 64 -4.587 4.156 2.070 501 HH TYR 64 HH TYR 64 -5.806 6.793 0.444 502 HB2 TYR 64 1HB TYR 64 0.011 6.893 3.087 503 HB3 TYR 64 2HB TYR 64 -0.175 5.166 3.355 504 H ALA 65 H ALA 65 -0.553 3.840 5.177 505 HA ALA 65 HA ALA 65 -3.128 3.150 5.863 506 HB1 ALA 65 3HB ALA 65 -1.482 1.583 4.934 507 HB2 ALA 65 1HB ALA 65 -2.220 0.926 6.399 508 HB3 ALA 65 2HB ALA 65 -0.589 1.600 6.454 509 H GLN 66 H GLN 66 -0.368 3.536 8.094 510 HA GLN 66 HA GLN 66 -1.641 2.736 10.479 511 HB2 GLN 66 1HB GLN 66 0.823 4.469 10.034 512 HB3 GLN 66 2HB GLN 66 0.301 3.923 11.629 513 HG2 GLN 66 1HG GLN 66 0.637 1.596 10.987 514 HG3 GLN 66 2HG GLN 66 1.044 2.074 9.342 515 HE21 GLN 66 2HE2 GLN 66 3.055 3.094 8.966 516 HE22 GLN 66 1HE2 GLN 66 4.364 2.961 10.080 517 H ARG 67 H ARG 67 -1.179 5.939 9.003 518 HA ARG 67 HA ARG 67 -2.264 7.639 10.915 519 HE ARG 67 HE ARG 67 -4.059 11.858 8.585 520 HB2 ARG 67 1HB ARG 67 -1.186 8.465 8.881 521 HB3 ARG 67 2HB ARG 67 -2.441 7.761 7.873 522 HG2 ARG 67 1HG ARG 67 -4.090 9.332 8.769 523 HG3 ARG 67 2HG ARG 67 -2.878 10.013 9.866 524 HD2 ARG 67 1HD ARG 67 -1.562 10.792 7.928 525 HD3 ARG 67 2HD ARG 67 -2.756 10.088 6.827 526 HH11 ARG 67 1HH1 ARG 67 -1.823 12.018 5.879 527 HH12 ARG 67 2HH1 ARG 67 -2.347 13.596 5.392 528 HH21 ARG 67 1HH2 ARG 67 -4.736 13.909 7.939 529 HH22 ARG 67 2HH2 ARG 67 -3.989 14.678 6.573 530 H LYS 68 H LYS 68 -3.903 5.540 8.612 531 HA LYS 68 HA LYS 68 -6.561 6.587 9.297 532 HB2 LYS 68 1HB LYS 68 -5.670 4.590 7.212 533 HB3 LYS 68 2HB LYS 68 -7.341 5.095 7.478 534 HG2 LYS 68 1HG LYS 68 -6.406 7.519 7.098 535 HG3 LYS 68 2HG LYS 68 -5.031 6.682 6.357 536 HD2 LYS 68 1HD LYS 68 -6.508 5.591 4.759 537 HD3 LYS 68 2HD LYS 68 -7.928 6.264 5.563 538 HE2 LYS 68 1HE LYS 68 -7.218 8.537 4.927 539 HE3 LYS 68 2HE LYS 68 -5.783 7.872 4.139 540 HZ1 LYS 68 3HZ LYS 68 -7.215 6.681 2.604 541 HZ2 LYS 68 1HZ LYS 68 -7.536 8.339 2.553 542 HZ3 LYS 68 2HZ LYS 68 -8.596 7.296 3.357 543 H GLY 69 H GLY 69 -4.459 3.990 10.229 544 HA2 GLY 69 1HA GLY 69 -4.844 2.316 11.762 545 HA3 GLY 69 2HA GLY 69 -6.574 2.619 11.690 546 H ILE 70 H ILE 70 -5.389 2.454 8.577 547 HA ILE 70 HA ILE 70 -6.653 0.066 7.860 548 HB ILE 70 HB ILE 70 -4.375 1.430 6.347 549 HG12 ILE 70 1HG1 ILE 70 -7.400 1.689 5.998 550 HG13 ILE 70 2HG1 ILE 70 -6.352 2.912 6.704 551 HG21 ILE 70 1HG2 ILE 70 -5.204 0.235 4.341 552 HG22 ILE 70 2HG2 ILE 70 -6.392 -0.613 5.334 553 HG23 ILE 70 3HG2 ILE 70 -4.668 -0.901 5.582 554 HD11 ILE 70 3HD1 ILE 70 -5.205 3.153 4.529 555 HD12 ILE 70 1HD1 ILE 70 -6.932 3.501 4.439 556 HD13 ILE 70 2HD1 ILE 70 -6.313 1.963 3.831 557 H GLU 71 H GLU 71 -6.218 -1.856 8.578 558 HA GLU 71 HA GLU 71 -3.763 -2.914 9.458 559 HB2 GLU 71 1HB GLU 71 -4.733 -5.193 8.976 560 HB3 GLU 71 2HB GLU 71 -5.725 -4.186 10.018 561 HG2 GLU 71 1HG GLU 71 -6.360 -4.186 7.082 562 HG3 GLU 71 2HG GLU 71 -6.725 -5.649 7.986 563 H TYR 72 H TYR 72 -1.936 -3.696 8.287 564 HA TYR 72 HA TYR 72 -2.185 -3.926 5.373 565 HD1 TYR 72 HD2 TYR 72 -1.127 -1.106 8.379 566 HD2 TYR 72 HD1 TYR 72 1.884 -2.584 5.733 567 HE1 TYR 72 HE2 TYR 72 0.613 -0.399 9.960 568 HE2 TYR 72 HE1 TYR 72 3.623 -1.879 7.313 569 HH TYR 72 HH TYR 72 3.929 -0.269 9.121 570 HB2 TYR 72 1HB TYR 72 -0.391 -2.356 4.941 571 HB3 TYR 72 2HB TYR 72 -1.602 -1.549 5.918 572 H ARG 73 H ARG 73 -0.877 -5.356 4.451 573 HA ARG 73 HA ARG 73 1.192 -6.772 6.004 574 HE ARG 73 HE ARG 73 0.403 -9.001 6.842 575 HB2 ARG 73 1HB ARG 73 -0.598 -8.166 4.997 576 HB3 ARG 73 2HB ARG 73 -0.248 -7.500 3.407 577 HG2 ARG 73 1HG ARG 73 0.685 -9.752 3.647 578 HG3 ARG 73 2HG ARG 73 1.974 -8.565 3.428 579 HD2 ARG 73 1HD ARG 73 2.477 -10.295 5.178 580 HD3 ARG 73 2HD ARG 73 2.530 -8.642 5.792 581 HH11 ARG 73 1HH1 ARG 73 1.889 -11.962 5.654 582 HH12 ARG 73 2HH1 ARG 73 0.951 -12.982 6.697 583 HH21 ARG 73 1HH2 ARG 73 -0.823 -10.341 8.172 584 HH22 ARG 73 2HH2 ARG 73 -0.580 -12.058 8.129 585 H VAL 74 H VAL 74 3.222 -6.070 5.618 586 HA VAL 74 HA VAL 74 3.982 -4.789 3.117 587 HB VAL 74 HB VAL 74 5.702 -5.618 5.510 588 HG11 VAL 74 1HG1 VAL 74 7.483 -4.213 4.508 589 HG12 VAL 74 2HG1 VAL 74 6.471 -3.917 3.093 590 HG13 VAL 74 3HG1 VAL 74 7.054 -5.550 3.434 591 HG21 VAL 74 3HG2 VAL 74 4.661 -2.863 4.712 592 HG22 VAL 74 1HG2 VAL 74 5.757 -3.198 6.053 593 HG23 VAL 74 2HG2 VAL 74 4.107 -3.822 6.087 594 H ILE 75 H ILE 75 4.569 -5.918 1.408 595 HA ILE 75 HA ILE 75 5.780 -8.601 1.563 596 HB ILE 75 HB ILE 75 4.542 -7.173 -0.862 597 HG12 ILE 75 1HG1 ILE 75 2.871 -9.175 -0.755 598 HG13 ILE 75 2HG1 ILE 75 3.433 -9.401 0.895 599 HG21 ILE 75 1HG2 ILE 75 5.694 -9.983 -0.686 600 HG22 ILE 75 2HG2 ILE 75 6.404 -8.612 -1.542 601 HG23 ILE 75 3HG2 ILE 75 4.872 -9.294 -2.088 602 HD11 ILE 75 3HD1 ILE 75 2.098 -6.931 -0.205 603 HD12 ILE 75 1HD1 ILE 75 2.642 -7.157 1.460 604 HD13 ILE 75 2HD1 ILE 75 1.352 -8.165 0.808 605 H LEU 76 H LEU 76 7.954 -8.654 1.204 606 HA LEU 76 HA LEU 76 9.394 -6.262 0.535 607 HG LEU 76 HG LEU 76 9.592 -8.017 3.160 608 HB2 LEU 76 1HB LEU 76 10.344 -9.088 1.093 609 HB3 LEU 76 2HB LEU 76 11.431 -7.752 0.751 610 HD11 LEU 76 1HD1 LEU 76 11.613 -9.378 3.311 611 HD12 LEU 76 2HD1 LEU 76 11.654 -8.052 4.466 612 HD13 LEU 76 3HD1 LEU 76 12.615 -7.959 2.988 613 HD21 LEU 76 3HD2 LEU 76 10.538 -5.872 3.944 614 HD22 LEU 76 1HD2 LEU 76 9.595 -5.687 2.466 615 HD23 LEU 76 2HD2 LEU 76 11.360 -5.672 2.393 616 HA PRO 77 HA PRO 77 9.806 -7.169 -3.869 617 HB2 PRO 77 1HB PRO 77 11.432 -5.154 -4.561 618 HB3 PRO 77 2HB PRO 77 9.796 -4.834 -3.974 619 HG2 PRO 77 1HG PRO 77 12.398 -4.669 -2.479 620 HG3 PRO 77 2HG PRO 77 11.041 -3.522 -2.487 621 HD2 PRO 77 1HD PRO 77 11.446 -5.448 -0.526 622 HD3 PRO 77 2HD PRO 77 9.868 -4.735 -0.902 623 H LYS 78 H LYS 78 11.892 -6.983 -5.472 624 HA LYS 78 HA LYS 78 13.589 -9.167 -4.862 625 HB2 LYS 78 1HB LYS 78 14.530 -8.902 -7.036 626 HB3 LYS 78 2HB LYS 78 12.831 -8.495 -7.180 627 HG2 LYS 78 1HG LYS 78 15.121 -6.496 -7.079 628 HG3 LYS 78 2HG LYS 78 14.292 -7.036 -8.538 629 HD2 LYS 78 1HD LYS 78 12.141 -6.087 -7.450 630 HD3 LYS 78 2HD LYS 78 13.217 -5.288 -6.297 631 HE2 LYS 78 1HE LYS 78 13.218 -4.923 -9.318 632 HE3 LYS 78 2HE LYS 78 12.610 -3.773 -8.131 633 HZ1 LYS 78 3HZ LYS 78 14.852 -3.497 -7.290 634 HZ2 LYS 78 1HZ LYS 78 14.794 -3.165 -8.948 635 HZ3 LYS 78 2HZ LYS 78 15.444 -4.628 -8.406 636 H GLU 79 H GLU 79 13.842 -5.944 -3.936 637 HA GLU 79 HA GLU 79 16.780 -6.020 -3.611 638 HB2 GLU 79 1HB GLU 79 16.484 -3.463 -3.383 639 HB3 GLU 79 2HB GLU 79 16.282 -4.167 -4.980 640 HG2 GLU 79 1HG GLU 79 13.769 -4.159 -4.521 641 HG3 GLU 79 2HG GLU 79 14.123 -3.165 -3.116 642 H ALA 80 H ALA 80 14.041 -4.425 -1.897 643 HA ALA 80 HA ALA 80 13.285 -4.386 0.184 644 HB1 ALA 80 3HB ALA 80 14.717 -7.022 0.541 645 HB2 ALA 80 1HB ALA 80 13.079 -6.807 -0.092 646 HB3 ALA 80 2HB ALA 80 13.447 -6.379 1.585 Start of MODEL 16 1 H MET 1 H MET 1 -9.959 -3.285 6.571 2 HA MET 1 HA MET 1 -9.718 -2.888 4.223 3 HB2 MET 1 1HB MET 1 -8.084 -0.417 4.970 4 HB3 MET 1 2HB MET 1 -8.506 -0.967 3.350 5 HG2 MET 1 1HG MET 1 -9.846 0.948 3.888 6 HG3 MET 1 2HG MET 1 -10.906 -0.468 3.876 7 HE1 MET 1 3HE MET 1 -12.779 1.014 5.230 8 HE2 MET 1 1HE MET 1 -11.680 2.389 5.274 9 HE3 MET 1 2HE MET 1 -12.428 1.818 6.764 10 H SER 2 H SER 2 -7.643 -3.561 3.187 11 HA SER 2 HA SER 2 -5.669 -4.527 5.158 12 HG SER 2 HG SER 2 -6.995 -6.733 2.383 13 HB2 SER 2 1HB SER 2 -5.892 -6.860 4.235 14 HB3 SER 2 2HB SER 2 -7.305 -6.324 5.144 15 H ALA 3 H ALA 3 -3.924 -3.556 4.295 16 HA ALA 3 HA ALA 3 -3.660 -3.343 1.350 17 HB1 ALA 3 3HB ALA 3 -2.074 -1.499 1.784 18 HB2 ALA 3 1HB ALA 3 -2.300 -1.700 3.526 19 HB3 ALA 3 2HB ALA 3 -3.648 -1.176 2.513 20 H LYS 4 H LYS 4 -1.821 -4.066 0.388 21 HA LYS 4 HA LYS 4 0.323 -5.278 1.999 22 HB2 LYS 4 1HB LYS 4 0.876 -6.610 -0.075 23 HB3 LYS 4 2HB LYS 4 -0.653 -7.044 0.674 24 HG2 LYS 4 1HG LYS 4 -1.880 -5.792 -1.041 25 HG3 LYS 4 2HG LYS 4 -0.361 -5.270 -1.772 26 HD2 LYS 4 1HD LYS 4 0.183 -7.575 -2.374 27 HD3 LYS 4 2HD LYS 4 -1.260 -8.174 -1.545 28 HE2 LYS 4 1HE LYS 4 -1.235 -6.334 -3.967 29 HE3 LYS 4 2HE LYS 4 -1.579 -8.064 -3.993 30 HZ1 LYS 4 3HZ LYS 4 -3.589 -6.705 -4.036 31 HZ2 LYS 4 1HZ LYS 4 -3.187 -6.029 -2.536 32 HZ3 LYS 4 2HZ LYS 4 -3.538 -7.677 -2.648 33 H ILE 5 H ILE 5 2.198 -4.223 1.835 34 HA ILE 5 HA ILE 5 2.501 -2.040 -0.153 35 HB ILE 5 HB ILE 5 3.780 -2.342 2.607 36 HG12 ILE 5 1HG1 ILE 5 1.821 -0.214 1.641 37 HG13 ILE 5 2HG1 ILE 5 1.333 -1.642 2.547 38 HG21 ILE 5 1HG2 ILE 5 4.829 -0.133 2.217 39 HG22 ILE 5 2HG2 ILE 5 4.169 -0.094 0.583 40 HG23 ILE 5 3HG2 ILE 5 5.374 -1.311 1.014 41 HD11 ILE 5 3HD1 ILE 5 3.147 0.558 3.514 42 HD12 ILE 5 1HD1 ILE 5 2.713 -0.889 4.431 43 HD13 ILE 5 2HD1 ILE 5 1.470 0.279 3.984 44 H TYR 6 H TYR 6 4.014 -2.419 -1.638 45 HA TYR 6 HA TYR 6 6.297 -4.147 -1.141 46 HD1 TYR 6 HD1 TYR 6 2.326 -4.931 -1.861 47 HD2 TYR 6 HD2 TYR 6 4.886 -4.865 -5.287 48 HE1 TYR 6 HE1 TYR 6 0.383 -4.571 -3.306 49 HE2 TYR 6 HE2 TYR 6 2.927 -4.499 -6.733 50 HH TYR 6 HH TYR 6 -0.153 -3.688 -5.487 51 HB2 TYR 6 1HB TYR 6 5.754 -5.628 -3.122 52 HB3 TYR 6 2HB TYR 6 4.672 -5.853 -1.758 53 H ARG 7 H ARG 7 7.563 -4.304 -3.244 54 HA ARG 7 HA ARG 7 7.295 -1.822 -4.845 55 HE ARG 7 HE ARG 7 11.682 0.326 -6.194 56 HB2 ARG 7 1HB ARG 7 9.165 -1.777 -3.152 57 HB3 ARG 7 2HB ARG 7 9.915 -3.117 -4.011 58 HG2 ARG 7 1HG ARG 7 10.290 -1.749 -5.971 59 HG3 ARG 7 2HG ARG 7 9.296 -0.444 -5.312 60 HD2 ARG 7 1HD ARG 7 10.897 -0.106 -3.498 61 HD3 ARG 7 2HD ARG 7 11.874 -1.436 -4.097 62 HH11 ARG 7 1HH1 ARG 7 12.986 0.449 -2.930 63 HH12 ARG 7 2HH1 ARG 7 14.066 1.758 -3.285 64 HH21 ARG 7 1HH2 ARG 7 13.104 2.035 -6.641 65 HH22 ARG 7 2HH2 ARG 7 14.139 2.651 -5.390 66 HA PRO 8 HA PRO 8 6.726 -5.378 -7.623 67 HB2 PRO 8 1HB PRO 8 5.550 -4.015 -9.685 68 HB3 PRO 8 2HB PRO 8 4.692 -4.407 -8.187 69 HG2 PRO 8 1HG PRO 8 6.059 -1.830 -8.963 70 HG3 PRO 8 2HG PRO 8 4.436 -2.061 -8.274 71 HD2 PRO 8 1HD PRO 8 6.548 -1.353 -6.736 72 HD3 PRO 8 2HD PRO 8 5.269 -2.421 -6.117 73 H ALA 9 H ALA 9 8.354 -6.234 -8.719 74 HA ALA 9 HA ALA 9 10.358 -4.842 -10.205 75 HB1 ALA 9 3HB ALA 9 11.046 -7.102 -10.938 76 HB2 ALA 9 1HB ALA 9 9.557 -7.777 -10.263 77 HB3 ALA 9 2HB ALA 9 10.761 -7.051 -9.199 78 H LYS 10 H LYS 10 7.515 -6.826 -11.120 79 HA LYS 10 HA LYS 10 7.456 -5.670 -13.815 80 HB2 LYS 10 1HB LYS 10 5.505 -7.163 -14.199 81 HB3 LYS 10 2HB LYS 10 6.949 -8.037 -13.717 82 HG2 LYS 10 1HG LYS 10 6.066 -8.393 -11.482 83 HG3 LYS 10 2HG LYS 10 4.672 -7.365 -11.819 84 HD2 LYS 10 1HD LYS 10 5.291 -10.010 -13.211 85 HD3 LYS 10 2HD LYS 10 4.101 -9.784 -11.925 86 HE2 LYS 10 1HE LYS 10 2.810 -8.253 -13.388 87 HE3 LYS 10 2HE LYS 10 4.010 -8.459 -14.666 88 HZ1 LYS 10 3HZ LYS 10 3.445 -10.828 -14.706 89 HZ2 LYS 10 1HZ LYS 10 2.118 -9.846 -15.068 90 HZ3 LYS 10 2HZ LYS 10 2.246 -10.566 -13.545 91 H THR 11 H THR 11 6.464 -3.801 -14.159 92 HA THR 11 HA THR 11 3.984 -3.022 -12.905 93 HB THR 11 HB THR 11 5.599 -2.379 -11.127 94 HG1 THR 11 HG1 THR 11 3.740 -1.069 -11.502 95 HG21 THR 11 3HG2 THR 11 7.623 -1.973 -12.478 96 HG22 THR 11 1HG2 THR 11 7.240 -0.564 -11.484 97 HG23 THR 11 2HG2 THR 11 6.865 -0.554 -13.209 98 H ALA 12 H ALA 12 3.224 -0.900 -13.765 99 HA ALA 12 HA ALA 12 3.618 -0.555 -16.554 100 HB1 ALA 12 3HB ALA 12 1.499 0.054 -15.452 101 HB2 ALA 12 1HB ALA 12 2.183 1.448 -16.292 102 HB3 ALA 12 2HB ALA 12 2.317 1.321 -14.536 103 H MET 13 H MET 13 5.630 -0.026 -17.198 104 HA MET 13 HA MET 13 7.528 1.429 -15.714 105 HB2 MET 13 1HB MET 13 8.919 1.375 -17.787 106 HB3 MET 13 2HB MET 13 8.272 -0.197 -17.354 107 HG2 MET 13 1HG MET 13 6.584 -0.018 -19.120 108 HG3 MET 13 2HG MET 13 7.163 1.597 -19.530 109 HE1 MET 13 3HE MET 13 9.430 -1.566 -18.579 110 HE2 MET 13 1HE MET 13 9.697 -2.246 -20.183 111 HE3 MET 13 2HE MET 13 8.082 -2.264 -19.478 112 H GLN 14 H GLN 14 7.832 3.546 -15.458 113 HA GLN 14 HA GLN 14 6.241 5.570 -16.641 114 HB2 GLN 14 1HB GLN 14 7.282 5.805 -14.415 115 HB3 GLN 14 2HB GLN 14 8.889 5.736 -15.118 116 HG2 GLN 14 1HG GLN 14 6.970 7.946 -15.879 117 HG3 GLN 14 2HG GLN 14 7.895 8.037 -14.384 118 HE21 GLN 14 2HE2 GLN 14 7.988 9.741 -16.787 119 HE22 GLN 14 1HE2 GLN 14 9.634 9.729 -17.310 120 H SER 15 H SER 15 9.721 4.887 -17.008 121 HA SER 15 HA SER 15 9.851 4.834 -19.801 122 HG SER 15 HG SER 15 11.721 6.332 -20.722 123 HB2 SER 15 1HB SER 15 9.360 7.305 -19.616 124 HB3 SER 15 2HB SER 15 10.818 7.514 -18.645 125 H GLY 16 H GLY 16 11.586 5.952 -16.897 126 HA2 GLY 16 1HA GLY 16 13.379 4.241 -16.189 127 HA3 GLY 16 2HA GLY 16 14.078 4.580 -17.770 128 H THR 17 H THR 17 13.137 7.420 -17.558 129 HA THR 17 HA THR 17 15.413 8.624 -16.367 130 HB THR 17 HB THR 17 14.254 9.703 -18.230 131 HG1 THR 17 HG1 THR 17 15.314 10.961 -16.400 132 HG21 THR 17 3HG2 THR 17 12.069 10.818 -17.961 133 HG22 THR 17 1HG2 THR 17 11.928 10.174 -16.323 134 HG23 THR 17 2HG2 THR 17 11.915 9.078 -17.707 135 H ALA 18 H ALA 18 12.128 8.040 -15.185 136 HA ALA 18 HA ALA 18 12.734 9.144 -12.533 137 HB1 ALA 18 3HB ALA 18 10.193 7.850 -13.595 138 HB2 ALA 18 1HB ALA 18 10.502 9.582 -13.482 139 HB3 ALA 18 2HB ALA 18 10.382 8.613 -12.013 140 H LYS 19 H LYS 19 11.681 7.501 -10.743 141 HA LYS 19 HA LYS 19 13.706 5.524 -10.477 142 HB2 LYS 19 1HB LYS 19 11.177 5.844 -8.808 143 HB3 LYS 19 2HB LYS 19 12.620 4.940 -8.347 144 HG2 LYS 19 1HG LYS 19 13.913 7.115 -8.432 145 HG3 LYS 19 2HG LYS 19 12.380 7.950 -8.705 146 HD2 LYS 19 1HD LYS 19 13.131 6.316 -6.240 147 HD3 LYS 19 2HD LYS 19 13.016 8.074 -6.333 148 HE2 LYS 19 1HE LYS 19 10.716 6.107 -6.631 149 HE3 LYS 19 2HE LYS 19 11.036 7.141 -5.238 150 HZ1 LYS 19 3HZ LYS 19 10.691 9.074 -6.671 151 HZ2 LYS 19 1HZ LYS 19 9.316 8.086 -6.618 152 HZ3 LYS 19 2HZ LYS 19 10.331 8.056 -7.966 153 H THR 20 H THR 20 10.446 5.372 -11.662 154 HA THR 20 HA THR 20 9.070 3.859 -12.512 155 HB THR 20 HB THR 20 9.939 1.901 -13.769 156 HG1 THR 20 HG1 THR 20 12.522 2.687 -12.859 157 HG21 THR 20 3HG2 THR 20 11.531 4.442 -14.240 158 HG22 THR 20 1HG2 THR 20 9.915 4.103 -14.869 159 HG23 THR 20 2HG2 THR 20 11.295 3.146 -15.412 160 H ASN 21 H ASN 21 11.376 1.548 -10.958 161 HA ASN 21 HA ASN 21 9.272 0.139 -9.594 162 HB2 ASN 21 1HB ASN 21 12.250 0.079 -8.934 163 HB3 ASN 21 2HB ASN 21 11.049 -1.122 -8.471 164 HD21 ASN 21 2HD2 ASN 21 10.111 -2.440 -10.210 165 HD22 ASN 21 1HD2 ASN 21 11.014 -2.720 -11.653 166 H VAL 22 H VAL 22 8.168 1.789 -8.545 167 HA VAL 22 HA VAL 22 9.400 2.904 -6.083 168 HB VAL 22 HB VAL 22 7.509 4.466 -6.004 169 HG11 VAL 22 1HG1 VAL 22 9.453 5.149 -7.342 170 HG12 VAL 22 2HG1 VAL 22 7.967 5.811 -8.024 171 HG13 VAL 22 3HG1 VAL 22 8.742 4.418 -8.786 172 HG21 VAL 22 3HG2 VAL 22 5.733 3.031 -6.938 173 HG22 VAL 22 1HG2 VAL 22 6.474 3.127 -8.537 174 HG23 VAL 22 2HG2 VAL 22 5.793 4.572 -7.789 175 H TRP 23 H TRP 23 7.388 3.020 -4.310 176 HA TRP 23 HA TRP 23 6.827 0.175 -3.845 177 HD1 TRP 23 HD1 TRP 23 9.484 2.668 -2.646 178 HE1 TRP 23 HE1 TRP 23 11.407 1.328 -1.625 179 HE3 TRP 23 HE3 TRP 23 6.801 -1.142 -0.527 180 HZ2 TRP 23 HZ2 TRP 23 11.768 -1.039 -0.123 181 HZ3 TRP 23 HZ3 TRP 23 8.013 -2.918 0.676 182 HH2 TRP 23 HH2 TRP 23 10.447 -2.863 0.874 183 HB2 TRP 23 1HB TRP 23 6.770 2.608 -2.002 184 HB3 TRP 23 2HB TRP 23 6.159 1.025 -1.517 185 H VAL 24 H VAL 24 4.817 -0.577 -4.208 186 HA VAL 24 HA VAL 24 2.563 1.280 -4.571 187 HB VAL 24 HB VAL 24 2.920 -1.630 -5.423 188 HG11 VAL 24 1HG1 VAL 24 0.707 -1.441 -6.542 189 HG12 VAL 24 2HG1 VAL 24 0.471 0.143 -5.806 190 HG13 VAL 24 3HG1 VAL 24 0.557 -1.297 -4.790 191 HG21 VAL 24 3HG2 VAL 24 2.806 -0.719 -7.709 192 HG22 VAL 24 1HG2 VAL 24 4.136 0.011 -6.802 193 HG23 VAL 24 2HG2 VAL 24 2.638 0.915 -7.060 194 H LEU 25 H LEU 25 0.796 1.189 -3.332 195 HA LEU 25 HA LEU 25 0.623 -0.713 -1.082 196 HG LEU 25 HG LEU 25 -0.589 0.170 1.046 197 HB2 LEU 25 1HB LEU 25 1.048 1.670 -0.396 198 HB3 LEU 25 2HB LEU 25 -0.401 2.175 -1.244 199 HD11 LEU 25 1HD1 LEU 25 -0.968 2.009 2.616 200 HD12 LEU 25 2HD1 LEU 25 -0.593 3.186 1.355 201 HD13 LEU 25 3HD1 LEU 25 0.656 2.082 1.936 202 HD21 LEU 25 3HD2 LEU 25 -2.856 1.123 1.337 203 HD22 LEU 25 1HD2 LEU 25 -2.635 0.470 -0.287 204 HD23 LEU 25 2HD2 LEU 25 -2.579 2.214 -0.024 205 H GLU 26 H GLU 26 -0.784 -2.160 -1.763 206 HA GLU 26 HA GLU 26 -3.179 -1.311 -3.319 207 HB2 GLU 26 1HB GLU 26 -1.460 -2.809 -4.531 208 HB3 GLU 26 2HB GLU 26 -1.913 -4.091 -3.418 209 HG2 GLU 26 1HG GLU 26 -4.236 -4.007 -4.226 210 HG3 GLU 26 2HG GLU 26 -3.827 -2.664 -5.296 211 H PHE 27 H PHE 27 -5.111 -1.797 -2.401 212 HA PHE 27 HA PHE 27 -5.272 -3.735 -0.184 213 HD1 PHE 27 HD1 PHE 27 -4.738 0.470 -0.748 214 HD2 PHE 27 HD2 PHE 27 -8.459 -1.000 0.780 215 HE1 PHE 27 HE1 PHE 27 -5.839 2.563 -1.391 216 HE2 PHE 27 HE2 PHE 27 -9.547 1.102 0.128 217 HZ PHE 27 HZ PHE 27 -8.239 2.888 -0.952 218 HB2 PHE 27 1HB PHE 27 -6.392 -2.153 1.308 219 HB3 PHE 27 2HB PHE 27 -4.838 -1.477 0.855 220 H ASP 28 H ASP 28 -7.381 -4.506 0.177 221 HA ASP 28 HA ASP 28 -9.330 -4.015 -1.970 222 HB2 ASP 28 1HB ASP 28 -8.893 -6.366 -1.252 223 HB3 ASP 28 2HB ASP 28 -9.413 -5.960 0.381 224 H ALA 29 H ALA 29 -10.983 -2.614 -1.675 225 HA ALA 29 HA ALA 29 -11.215 -1.143 0.812 226 HB1 ALA 29 3HB ALA 29 -12.882 -0.939 -1.707 227 HB2 ALA 29 1HB ALA 29 -11.428 -0.006 -1.347 228 HB3 ALA 29 2HB ALA 29 -12.877 0.205 -0.358 229 H GLU 30 H GLU 30 -13.166 -0.799 1.894 230 HA GLU 30 HA GLU 30 -14.650 -3.169 2.557 231 HB2 GLU 30 1HB GLU 30 -15.436 -1.913 4.442 232 HB3 GLU 30 2HB GLU 30 -13.752 -1.472 4.212 233 HG2 GLU 30 1HG GLU 30 -16.214 0.188 3.640 234 HG3 GLU 30 2HG GLU 30 -14.935 0.515 4.796 235 H VAL 31 H VAL 31 -15.031 -1.173 0.001 236 HA VAL 31 HA VAL 31 -17.602 -0.361 -0.260 237 HB VAL 31 HB VAL 31 -15.909 -0.070 -2.013 238 HG11 VAL 31 1HG1 VAL 31 -16.286 -3.000 -2.717 239 HG12 VAL 31 2HG1 VAL 31 -14.850 -2.287 -1.977 240 HG13 VAL 31 3HG1 VAL 31 -15.313 -1.832 -3.620 241 HG21 VAL 31 3HG2 VAL 31 -17.333 -0.353 -4.018 242 HG22 VAL 31 1HG2 VAL 31 -18.265 0.265 -2.652 243 HG23 VAL 31 2HG2 VAL 31 -18.399 -1.431 -3.114 244 HA PRO 32 HA PRO 32 -20.100 -4.173 0.143 245 HB2 PRO 32 1HB PRO 32 -22.557 -3.084 -0.343 246 HB3 PRO 32 2HB PRO 32 -21.700 -2.828 1.186 247 HG2 PRO 32 1HG PRO 32 -21.829 -1.019 -1.231 248 HG3 PRO 32 2HG PRO 32 -22.069 -0.606 0.481 249 HD2 PRO 32 1HD PRO 32 -19.704 -0.157 -0.765 250 HD3 PRO 32 2HD PRO 32 -19.774 -0.636 0.946 251 H ARG 33 H ARG 33 -21.639 -5.388 -1.236 252 HA ARG 33 HA ARG 33 -20.855 -5.631 -3.937 253 HE ARG 33 HE ARG 33 -24.785 -8.069 -4.281 254 HB2 ARG 33 1HB ARG 33 -22.759 -7.222 -4.155 255 HB3 ARG 33 2HB ARG 33 -21.782 -7.533 -2.722 256 HG2 ARG 33 1HG ARG 33 -23.471 -6.465 -1.299 257 HG3 ARG 33 2HG ARG 33 -24.443 -6.062 -2.718 258 HD2 ARG 33 1HD ARG 33 -23.757 -8.890 -1.828 259 HD3 ARG 33 2HD ARG 33 -25.279 -8.063 -1.489 260 HH11 ARG 33 1HH1 ARG 33 -25.730 -10.314 -1.741 261 HH12 ARG 33 2HH1 ARG 33 -26.648 -11.313 -2.818 262 HH21 ARG 33 1HH2 ARG 33 -26.020 -9.374 -5.648 263 HH22 ARG 33 2HH2 ARG 33 -26.831 -10.775 -5.025 264 H LYS 34 H LYS 34 -23.263 -3.664 -2.391 265 HA LYS 34 HA LYS 34 -24.840 -3.072 -4.732 266 HB2 LYS 34 1HB LYS 34 -24.768 -1.640 -2.034 267 HB3 LYS 34 2HB LYS 34 -26.034 -1.521 -3.251 268 HG2 LYS 34 1HG LYS 34 -25.337 -4.002 -1.640 269 HG3 LYS 34 2HG LYS 34 -26.726 -2.941 -1.371 270 HD2 LYS 34 1HD LYS 34 -27.578 -3.541 -3.650 271 HD3 LYS 34 2HD LYS 34 -26.220 -4.658 -3.841 272 HE2 LYS 34 1HE LYS 34 -28.254 -5.857 -3.159 273 HE3 LYS 34 2HE LYS 34 -27.019 -5.967 -1.903 274 HZ1 LYS 34 3HZ LYS 34 -28.157 -4.240 -0.669 275 HZ2 LYS 34 1HZ LYS 34 -29.223 -5.512 -0.990 276 HZ3 LYS 34 2HZ LYS 34 -29.321 -4.078 -1.882 277 H ILE 35 H ILE 35 -23.651 -2.127 -6.306 278 HA ILE 35 HA ILE 35 -22.270 0.449 -5.774 279 HB ILE 35 HB ILE 35 -20.748 -0.149 -7.732 280 HG12 ILE 35 1HG1 ILE 35 -22.016 -2.910 -7.370 281 HG13 ILE 35 2HG1 ILE 35 -22.078 -1.904 -8.814 282 HG21 ILE 35 1HG2 ILE 35 -19.227 -1.566 -6.408 283 HG22 ILE 35 2HG2 ILE 35 -20.544 -1.967 -5.304 284 HG23 ILE 35 3HG2 ILE 35 -19.956 -0.306 -5.408 285 HD11 ILE 35 3HD1 ILE 35 -19.654 -2.215 -9.113 286 HD12 ILE 35 1HD1 ILE 35 -20.543 -3.738 -9.111 287 HD13 ILE 35 2HD1 ILE 35 -19.624 -3.257 -7.685 288 H ASP 36 H ASP 36 -21.907 1.532 -8.147 289 HA ASP 36 HA ASP 36 -24.428 2.492 -8.909 290 HB2 ASP 36 1HB ASP 36 -22.444 3.847 -9.230 291 HB3 ASP 36 2HB ASP 36 -21.767 2.666 -10.330 292 HA PRO 37 HA PRO 37 -25.926 -0.848 -11.657 293 HB2 PRO 37 1HB PRO 37 -27.893 0.745 -12.861 294 HB3 PRO 37 2HB PRO 37 -28.088 -0.088 -11.312 295 HG2 PRO 37 1HG PRO 37 -27.150 2.762 -11.813 296 HG3 PRO 37 2HG PRO 37 -28.449 2.195 -10.725 297 HD2 PRO 37 1HD PRO 37 -26.114 2.731 -9.681 298 HD3 PRO 37 2HD PRO 37 -26.863 1.172 -9.240 299 H ILE 38 H ILE 38 -24.764 2.300 -12.713 300 HA ILE 38 HA ILE 38 -25.008 1.733 -15.552 301 HB ILE 38 HB ILE 38 -23.616 4.097 -14.208 302 HG12 ILE 38 1HG1 ILE 38 -26.551 3.721 -14.961 303 HG13 ILE 38 2HG1 ILE 38 -25.878 4.064 -13.365 304 HG21 ILE 38 1HG2 ILE 38 -24.025 5.262 -16.368 305 HG22 ILE 38 2HG2 ILE 38 -24.698 3.774 -17.038 306 HG23 ILE 38 3HG2 ILE 38 -22.995 3.840 -16.566 307 HD11 ILE 38 3HD1 ILE 38 -26.993 5.997 -14.297 308 HD12 ILE 38 1HD1 ILE 38 -25.944 5.966 -15.716 309 HD13 ILE 38 2HD1 ILE 38 -25.269 6.310 -14.122 310 H MET 39 H MET 39 -22.079 3.005 -13.882 311 HA MET 39 HA MET 39 -20.427 1.449 -15.755 312 HB2 MET 39 1HB MET 39 -18.626 2.980 -15.222 313 HB3 MET 39 2HB MET 39 -20.074 3.909 -15.578 314 HG2 MET 39 1HG MET 39 -20.424 4.305 -13.186 315 HG3 MET 39 2HG MET 39 -19.005 3.332 -12.806 316 HE1 MET 39 3HE MET 39 -16.143 5.581 -14.446 317 HE2 MET 39 1HE MET 39 -17.037 4.318 -15.291 318 HE3 MET 39 2HE MET 39 -16.482 4.052 -13.637 319 H GLY 40 H GLY 40 -21.658 0.804 -12.801 320 HA2 GLY 40 1HA GLY 40 -19.455 -0.097 -11.243 321 HA3 GLY 40 2HA GLY 40 -21.123 -0.615 -11.066 322 H TYR 41 H TYR 41 -20.905 -1.467 -14.061 323 HA TYR 41 HA TYR 41 -20.290 -4.187 -13.866 324 HD1 TYR 41 HD2 TYR 41 -21.277 -5.870 -15.707 325 HD2 TYR 41 HD1 TYR 41 -18.787 -3.234 -17.981 326 HE1 TYR 41 HE2 TYR 41 -20.615 -7.741 -17.160 327 HE2 TYR 41 HE1 TYR 41 -18.126 -5.104 -19.428 328 HH TYR 41 HH TYR 41 -18.004 -7.542 -19.363 329 HB2 TYR 41 1HB TYR 41 -21.568 -3.243 -15.742 330 HB3 TYR 41 2HB TYR 41 -20.169 -2.318 -16.272 331 H THR 42 H THR 42 -18.258 -1.422 -14.661 332 HA THR 42 HA THR 42 -15.807 -3.042 -14.329 333 HB THR 42 HB THR 42 -14.708 -0.967 -15.419 334 HG1 THR 42 HG1 THR 42 -16.376 0.520 -15.260 335 HG21 THR 42 3HG2 THR 42 -15.283 -1.662 -17.724 336 HG22 THR 42 1HG2 THR 42 -16.658 -2.580 -17.111 337 HG23 THR 42 2HG2 THR 42 -15.014 -3.068 -16.690 338 H SER 43 H SER 43 -15.448 -2.998 -12.179 339 HA SER 43 HA SER 43 -16.273 -1.003 -10.355 340 HG SER 43 HG SER 43 -14.998 -1.315 -8.274 341 HB2 SER 43 1HB SER 43 -15.931 -3.391 -9.748 342 HB3 SER 43 2HB SER 43 -14.196 -3.202 -9.977 343 H SER 44 H SER 44 -13.503 -1.139 -12.383 344 HA SER 44 HA SER 44 -11.651 0.417 -10.925 345 HG SER 44 HG SER 44 -9.536 0.453 -12.514 346 HB2 SER 44 1HB SER 44 -11.108 -0.968 -12.950 347 HB3 SER 44 2HB SER 44 -11.943 0.223 -13.951 348 H SER 45 H SER 45 -12.810 2.138 -9.970 349 HA SER 45 HA SER 45 -13.399 4.465 -11.665 350 HG SER 45 HG SER 45 -15.068 3.018 -12.455 351 HB2 SER 45 1HB SER 45 -15.450 3.246 -9.745 352 HB3 SER 45 2HB SER 45 -15.641 4.770 -10.615 353 H ASP 46 H ASP 46 -14.312 6.265 -9.957 354 HA ASP 46 HA ASP 46 -12.299 6.709 -7.947 355 HB2 ASP 46 1HB ASP 46 -14.835 8.216 -8.692 356 HB3 ASP 46 2HB ASP 46 -13.769 8.744 -7.392 357 H MET 47 H MET 47 -15.457 5.207 -7.958 358 HA MET 47 HA MET 47 -16.004 5.144 -5.206 359 HB2 MET 47 1HB MET 47 -16.458 3.020 -7.344 360 HB3 MET 47 2HB MET 47 -17.004 2.817 -5.684 361 HG2 MET 47 1HG MET 47 -18.856 3.521 -6.996 362 HG3 MET 47 2HG MET 47 -18.403 4.869 -5.955 363 HE1 MET 47 3HE MET 47 -20.298 4.944 -8.659 364 HE2 MET 47 1HE MET 47 -19.783 6.504 -9.297 365 HE3 MET 47 2HE MET 47 -20.054 6.306 -7.567 366 H LYS 48 H LYS 48 -15.070 4.111 -3.526 367 HA LYS 48 HA LYS 48 -12.562 3.046 -3.429 368 HB2 LYS 48 1HB LYS 48 -13.255 1.900 -1.274 369 HB3 LYS 48 2HB LYS 48 -13.563 3.625 -1.351 370 HG2 LYS 48 1HG LYS 48 -15.776 1.687 -2.024 371 HG3 LYS 48 2HG LYS 48 -15.342 1.955 -0.340 372 HD2 LYS 48 1HD LYS 48 -16.311 4.070 -2.312 373 HD3 LYS 48 2HD LYS 48 -17.232 3.374 -0.978 374 HE2 LYS 48 1HE LYS 48 -14.753 5.119 -0.740 375 HE3 LYS 48 2HE LYS 48 -16.408 5.580 -0.342 376 HZ1 LYS 48 3HZ LYS 48 -16.393 3.909 1.422 377 HZ2 LYS 48 1HZ LYS 48 -15.154 5.035 1.640 378 HZ3 LYS 48 2HZ LYS 48 -14.802 3.493 1.046 379 H GLN 49 H GLN 49 -11.608 1.115 -3.722 380 HA GLN 49 HA GLN 49 -12.992 -1.347 -4.360 381 HB2 GLN 49 1HB GLN 49 -12.073 -1.474 -6.690 382 HB3 GLN 49 2HB GLN 49 -13.249 -0.172 -6.514 383 HG2 GLN 49 1HG GLN 49 -11.515 1.494 -6.445 384 HG3 GLN 49 2HG GLN 49 -10.259 0.264 -6.326 385 HE21 GLN 49 2HE2 GLN 49 -10.704 2.447 -8.299 386 HE22 GLN 49 1HE2 GLN 49 -10.684 1.665 -9.839 387 H GLN 50 H GLN 50 -10.863 -2.598 -5.729 388 HA GLN 50 HA GLN 50 -8.882 -2.955 -3.682 389 HB2 GLN 50 1HB GLN 50 -7.917 -4.622 -5.247 390 HB3 GLN 50 2HB GLN 50 -9.632 -4.875 -4.958 391 HG2 GLN 50 1HG GLN 50 -10.204 -3.957 -7.131 392 HG3 GLN 50 2HG GLN 50 -8.533 -3.476 -7.419 393 HE21 GLN 50 2HE2 GLN 50 -10.271 -5.228 -9.015 394 HE22 GLN 50 1HE2 GLN 50 -9.445 -6.740 -9.143 395 H VAL 51 H VAL 51 -8.353 -0.376 -3.915 396 HA VAL 51 HA VAL 51 -7.205 0.596 -6.297 397 HB VAL 51 HB VAL 51 -7.032 1.884 -3.524 398 HG11 VAL 51 1HG1 VAL 51 -5.765 3.075 -5.264 399 HG12 VAL 51 2HG1 VAL 51 -7.147 4.037 -4.738 400 HG13 VAL 51 3HG1 VAL 51 -7.208 3.172 -6.276 401 HG21 VAL 51 3HG2 VAL 51 -9.365 1.197 -3.839 402 HG22 VAL 51 1HG2 VAL 51 -9.417 2.040 -5.389 403 HG23 VAL 51 2HG2 VAL 51 -9.212 2.955 -3.892 404 H LYS 52 H LYS 52 -5.075 1.563 -6.495 405 HA LYS 52 HA LYS 52 -3.017 0.655 -4.592 406 HB2 LYS 52 1HB LYS 52 -1.410 0.327 -6.459 407 HB3 LYS 52 2HB LYS 52 -2.743 -0.819 -6.489 408 HG2 LYS 52 1HG LYS 52 -3.802 0.366 -8.321 409 HG3 LYS 52 2HG LYS 52 -2.599 1.659 -8.244 410 HD2 LYS 52 1HD LYS 52 -1.902 -1.244 -8.845 411 HD3 LYS 52 2HD LYS 52 -2.261 -0.056 -10.100 412 HE2 LYS 52 1HE LYS 52 -0.008 0.160 -8.074 413 HE3 LYS 52 2HE LYS 52 0.177 -0.366 -9.747 414 HZ1 LYS 52 3HZ LYS 52 0.773 1.933 -9.554 415 HZ2 LYS 52 1HZ LYS 52 -0.710 2.311 -8.831 416 HZ3 LYS 52 2HZ LYS 52 -0.660 1.820 -10.444 417 H LEU 53 H LEU 53 -1.598 2.144 -4.007 418 HA LEU 53 HA LEU 53 -1.541 4.802 -5.330 419 HG LEU 53 HG LEU 53 -3.466 5.639 -3.744 420 HB2 LEU 53 1HB LEU 53 -1.174 4.207 -2.349 421 HB3 LEU 53 2HB LEU 53 -0.951 5.773 -3.106 422 HD11 LEU 53 1HD1 LEU 53 -4.895 4.260 -2.309 423 HD12 LEU 53 2HD1 LEU 53 -3.475 3.503 -1.585 424 HD13 LEU 53 3HD1 LEU 53 -3.836 3.253 -3.294 425 HD21 LEU 53 3HD2 LEU 53 -2.590 7.170 -2.036 426 HD22 LEU 53 1HD2 LEU 53 -2.707 5.896 -0.815 427 HD23 LEU 53 2HD2 LEU 53 -4.170 6.538 -1.574 428 H THR 54 H THR 54 0.581 5.720 -5.556 429 HA THR 54 HA THR 54 2.816 3.807 -5.144 430 HB THR 54 HB THR 54 3.920 5.125 -7.060 431 HG1 THR 54 HG1 THR 54 2.023 6.766 -6.836 432 HG21 THR 54 3HG2 THR 54 2.741 3.864 -8.827 433 HG22 THR 54 1HG2 THR 54 1.414 3.525 -7.711 434 HG23 THR 54 2HG2 THR 54 3.022 2.861 -7.404 435 H PHE 55 H PHE 55 4.413 4.457 -3.890 436 HA PHE 55 HA PHE 55 4.708 7.284 -3.054 437 HD1 PHE 55 HD2 PHE 55 3.633 8.049 -0.275 438 HD2 PHE 55 HD1 PHE 55 2.564 4.109 -1.551 439 HE1 PHE 55 HE2 PHE 55 1.327 8.419 0.493 440 HE2 PHE 55 HE1 PHE 55 0.258 4.488 -0.778 441 HZ PHE 55 HZ PHE 55 -0.360 6.641 0.246 442 HB2 PHE 55 1HB PHE 55 4.936 4.761 -1.326 443 HB3 PHE 55 2HB PHE 55 5.370 6.379 -0.786 444 H GLU 56 H GLU 56 6.890 7.883 -2.512 445 HA GLU 56 HA GLU 56 8.962 6.930 -4.114 446 HB2 GLU 56 1HB GLU 56 9.264 8.450 -1.487 447 HB3 GLU 56 2HB GLU 56 10.411 8.419 -2.824 448 HG2 GLU 56 1HG GLU 56 7.634 9.643 -2.900 449 HG3 GLU 56 2HG GLU 56 9.137 10.538 -2.691 450 H THR 57 H THR 57 8.126 6.150 -0.769 451 HA THR 57 HA THR 57 10.128 3.996 -0.649 452 HB THR 57 HB THR 57 10.685 4.660 1.733 453 HG1 THR 57 HG1 THR 57 10.255 7.040 2.096 454 HG21 THR 57 3HG2 THR 57 11.434 6.744 -0.352 455 HG22 THR 57 1HG2 THR 57 12.279 5.220 -0.066 456 HG23 THR 57 2HG2 THR 57 12.269 6.472 1.179 457 H GLN 58 H GLN 58 9.712 2.538 1.204 458 HA GLN 58 HA GLN 58 7.058 1.682 1.513 459 HB2 GLN 58 1HB GLN 58 9.064 0.254 1.874 460 HB3 GLN 58 2HB GLN 58 9.441 1.164 3.332 461 HG2 GLN 58 1HG GLN 58 7.203 0.390 4.266 462 HG3 GLN 58 2HG GLN 58 7.067 -0.669 2.865 463 HE21 GLN 58 2HE2 GLN 58 9.954 -1.309 2.844 464 HE22 GLN 58 1HE2 GLN 58 10.200 -2.379 4.169 465 H GLU 59 H GLU 59 9.093 3.825 3.443 466 HA GLU 59 HA GLU 59 7.672 3.906 5.820 467 HB2 GLU 59 1HB GLU 59 9.249 6.222 4.637 468 HB3 GLU 59 2HB GLU 59 8.917 5.923 6.343 469 HG2 GLU 59 1HG GLU 59 10.803 4.451 4.496 470 HG3 GLU 59 2HG GLU 59 11.180 5.312 5.984 471 H GLN 60 H GLN 60 7.294 5.865 2.899 472 HA GLN 60 HA GLN 60 5.343 7.639 3.960 473 HB2 GLN 60 1HB GLN 60 5.997 6.963 1.063 474 HB3 GLN 60 2HB GLN 60 5.015 8.333 1.588 475 HG2 GLN 60 1HG GLN 60 6.983 9.260 2.791 476 HG3 GLN 60 2HG GLN 60 7.955 7.906 2.211 477 HE21 GLN 60 2HE2 GLN 60 9.378 9.279 1.111 478 HE22 GLN 60 1HE2 GLN 60 8.934 10.113 -0.333 479 H ALA 61 H ALA 61 5.149 4.480 2.447 480 HA ALA 61 HA ALA 61 2.323 4.564 1.880 481 HB1 ALA 61 3HB ALA 61 4.261 2.219 1.947 482 HB2 ALA 61 1HB ALA 61 3.863 3.200 0.534 483 HB3 ALA 61 2HB ALA 61 2.624 2.193 1.282 484 H GLU 62 H GLU 62 4.392 3.195 4.401 485 HA GLU 62 HA GLU 62 2.272 1.873 5.790 486 HB2 GLU 62 1HB GLU 62 3.939 1.360 7.511 487 HB3 GLU 62 2HB GLU 62 4.557 1.041 5.900 488 HG2 GLU 62 1HG GLU 62 6.416 2.108 6.664 489 HG3 GLU 62 2HG GLU 62 5.521 3.545 6.242 490 H ALA 63 H ALA 63 3.970 4.980 6.324 491 HA ALA 63 HA ALA 63 2.590 5.909 8.536 492 HB1 ALA 63 3HB ALA 63 4.530 7.062 7.550 493 HB2 ALA 63 1HB ALA 63 3.178 8.171 7.771 494 HB3 ALA 63 2HB ALA 63 3.551 7.543 6.162 495 H TYR 64 H TYR 64 1.582 5.885 5.133 496 HA TYR 64 HA TYR 64 -0.776 7.445 5.378 497 HD1 TYR 64 HD2 TYR 64 -2.040 8.397 3.045 498 HD2 TYR 64 HD1 TYR 64 -1.962 4.140 2.665 499 HE1 TYR 64 HE2 TYR 64 -4.267 8.438 2.000 500 HE2 TYR 64 HE1 TYR 64 -4.184 4.184 1.627 501 HH TYR 64 HH TYR 64 -5.630 6.994 0.464 502 HB2 TYR 64 1HB TYR 64 0.163 7.026 3.176 503 HB3 TYR 64 2HB TYR 64 0.029 5.285 3.390 504 H ALA 65 H ALA 65 -0.343 3.902 5.187 505 HA ALA 65 HA ALA 65 -2.930 3.061 5.577 506 HB1 ALA 65 3HB ALA 65 -0.382 1.643 6.422 507 HB2 ALA 65 1HB ALA 65 -1.102 1.608 4.810 508 HB3 ALA 65 2HB ALA 65 -1.956 0.878 6.172 509 H GLN 66 H GLN 66 -0.436 3.487 8.093 510 HA GLN 66 HA GLN 66 -1.929 2.673 10.339 511 HB2 GLN 66 1HB GLN 66 0.402 4.627 10.192 512 HB3 GLN 66 2HB GLN 66 -0.236 3.953 11.693 513 HG2 GLN 66 1HG GLN 66 0.420 1.704 10.987 514 HG3 GLN 66 2HG GLN 66 0.997 2.335 9.446 515 HE21 GLN 66 2HE2 GLN 66 2.869 3.675 9.441 516 HE22 GLN 66 1HE2 GLN 66 4.023 3.585 10.720 517 H ARG 67 H ARG 67 -1.477 5.877 8.893 518 HA ARG 67 HA ARG 67 -2.862 7.477 10.746 519 HE ARG 67 HE ARG 67 -0.331 10.657 8.787 520 HB2 ARG 67 1HB ARG 67 -1.296 8.217 8.910 521 HB3 ARG 67 2HB ARG 67 -2.569 7.901 7.741 522 HG2 ARG 67 1HG ARG 67 -3.964 9.657 8.838 523 HG3 ARG 67 2HG ARG 67 -2.633 9.986 9.953 524 HD2 ARG 67 1HD ARG 67 -2.643 10.377 6.937 525 HD3 ARG 67 2HD ARG 67 -2.548 11.627 8.179 526 HH11 ARG 67 1HH1 ARG 67 -1.539 10.187 5.513 527 HH12 ARG 67 2HH1 ARG 67 0.040 9.940 4.839 528 HH21 ARG 67 1HH2 ARG 67 1.730 10.309 7.880 529 HH22 ARG 67 2HH2 ARG 67 1.889 10.009 6.177 530 H LYS 68 H LYS 68 -3.983 5.463 8.095 531 HA LYS 68 HA LYS 68 -6.761 6.421 8.287 532 HB2 LYS 68 1HB LYS 68 -5.509 4.335 6.444 533 HB3 LYS 68 2HB LYS 68 -7.162 4.938 6.338 534 HG2 LYS 68 1HG LYS 68 -4.633 6.557 5.884 535 HG3 LYS 68 2HG LYS 68 -5.732 5.963 4.634 536 HD2 LYS 68 1HD LYS 68 -7.541 7.390 5.534 537 HD3 LYS 68 2HD LYS 68 -6.466 7.968 6.813 538 HE2 LYS 68 1HE LYS 68 -4.979 8.954 5.072 539 HE3 LYS 68 2HE LYS 68 -6.117 8.425 3.826 540 HZ1 LYS 68 3HZ LYS 68 -6.455 10.734 4.433 541 HZ2 LYS 68 1HZ LYS 68 -6.729 10.305 6.040 542 HZ3 LYS 68 2HZ LYS 68 -7.813 9.812 4.837 543 H GLY 69 H GLY 69 -4.772 3.988 9.671 544 HA2 GLY 69 1HA GLY 69 -5.340 2.415 11.267 545 HA3 GLY 69 2HA GLY 69 -7.041 2.586 10.860 546 H ILE 70 H ILE 70 -5.451 2.283 8.022 547 HA ILE 70 HA ILE 70 -6.357 -0.295 7.379 548 HB ILE 70 HB ILE 70 -4.109 1.217 5.976 549 HG12 ILE 70 1HG1 ILE 70 -7.111 1.185 5.389 550 HG13 ILE 70 2HG1 ILE 70 -6.237 2.528 6.114 551 HG21 ILE 70 1HG2 ILE 70 -4.140 -1.156 5.330 552 HG22 ILE 70 2HG2 ILE 70 -4.684 -0.149 3.989 553 HG23 ILE 70 3HG2 ILE 70 -5.861 -1.047 4.951 554 HD11 ILE 70 3HD1 ILE 70 -6.696 2.960 3.785 555 HD12 ILE 70 1HD1 ILE 70 -5.882 1.472 3.304 556 HD13 ILE 70 2HD1 ILE 70 -4.957 2.797 4.018 557 H GLU 71 H GLU 71 -5.770 -2.083 8.341 558 HA GLU 71 HA GLU 71 -3.201 -2.777 9.378 559 HB2 GLU 71 1HB GLU 71 -4.016 -5.176 9.184 560 HB3 GLU 71 2HB GLU 71 -5.079 -4.117 10.106 561 HG2 GLU 71 1HG GLU 71 -6.573 -3.922 8.148 562 HG3 GLU 71 2HG GLU 71 -5.497 -4.962 7.218 563 H TYR 72 H TYR 72 -1.322 -3.649 8.288 564 HA TYR 72 HA TYR 72 -1.575 -4.102 5.393 565 HD1 TYR 72 HD1 TYR 72 -0.813 -0.839 7.975 566 HD2 TYR 72 HD2 TYR 72 2.470 -2.717 5.990 567 HE1 TYR 72 HE1 TYR 72 0.736 0.121 9.614 568 HE2 TYR 72 HE2 TYR 72 4.018 -1.753 7.635 569 HH TYR 72 HH TYR 72 4.099 0.180 9.195 570 HB2 TYR 72 1HB TYR 72 0.278 -2.566 4.875 571 HB3 TYR 72 2HB TYR 72 -1.053 -1.715 5.643 572 H ARG 73 H ARG 73 -0.165 -5.471 4.495 573 HA ARG 73 HA ARG 73 1.890 -6.809 6.139 574 HE ARG 73 HE ARG 73 0.505 -10.144 6.414 575 HB2 ARG 73 1HB ARG 73 0.050 -8.253 5.258 576 HB3 ARG 73 2HB ARG 73 0.425 -7.736 3.619 577 HG2 ARG 73 1HG ARG 73 1.324 -9.956 4.010 578 HG3 ARG 73 2HG ARG 73 2.655 -8.816 3.799 579 HD2 ARG 73 1HD ARG 73 3.046 -10.449 5.647 580 HD3 ARG 73 2HD ARG 73 3.060 -8.771 6.202 581 HH11 ARG 73 1HH1 ARG 73 3.460 -9.330 8.130 582 HH12 ARG 73 2HH1 ARG 73 2.736 -9.505 9.693 583 HH21 ARG 73 1HH2 ARG 73 -0.423 -10.367 8.445 584 HH22 ARG 73 2HH2 ARG 73 0.526 -10.104 9.871 585 H VAL 74 H VAL 74 3.845 -5.827 5.715 586 HA VAL 74 HA VAL 74 4.439 -4.742 3.075 587 HB VAL 74 HB VAL 74 6.677 -4.101 4.009 588 HG11 VAL 74 1HG1 VAL 74 4.811 -2.516 4.103 589 HG12 VAL 74 2HG1 VAL 74 5.835 -2.338 5.527 590 HG13 VAL 74 3HG1 VAL 74 4.288 -3.182 5.655 591 HG21 VAL 74 3HG2 VAL 74 6.961 -5.888 5.686 592 HG22 VAL 74 1HG2 VAL 74 5.634 -5.221 6.639 593 HG23 VAL 74 2HG2 VAL 74 7.125 -4.296 6.428 594 H ILE 75 H ILE 75 5.431 -5.735 1.539 595 HA ILE 75 HA ILE 75 7.105 -8.130 1.927 596 HB ILE 75 HB ILE 75 5.482 -7.418 -0.588 597 HG12 ILE 75 1HG1 ILE 75 4.316 -9.723 -0.032 598 HG13 ILE 75 2HG1 ILE 75 4.892 -9.440 1.603 599 HG21 ILE 75 1HG2 ILE 75 6.215 -9.612 -1.471 600 HG22 ILE 75 2HG2 ILE 75 7.213 -9.857 -0.037 601 HG23 ILE 75 3HG2 ILE 75 7.581 -8.538 -1.151 602 HD11 ILE 75 3HD1 ILE 75 2.586 -8.766 1.325 603 HD12 ILE 75 1HD1 ILE 75 3.036 -7.648 0.040 604 HD13 ILE 75 2HD1 ILE 75 3.596 -7.368 1.692 605 H LEU 76 H LEU 76 9.189 -7.709 1.362 606 HA LEU 76 HA LEU 76 9.980 -5.162 0.265 607 HG LEU 76 HG LEU 76 10.743 -6.856 3.027 608 HB2 LEU 76 1HB LEU 76 11.625 -7.642 0.912 609 HB3 LEU 76 2HB LEU 76 12.281 -6.058 0.527 610 HD11 LEU 76 1HD1 LEU 76 12.781 -6.165 4.200 611 HD12 LEU 76 2HD1 LEU 76 13.550 -5.773 2.658 612 HD13 LEU 76 3HD1 LEU 76 13.115 -7.444 3.030 613 HD21 LEU 76 3HD2 LEU 76 9.908 -4.664 2.377 614 HD22 LEU 76 1HD2 LEU 76 11.551 -4.052 2.178 615 HD23 LEU 76 2HD2 LEU 76 10.956 -4.502 3.780 616 HA PRO 77 HA PRO 77 10.325 -6.274 -4.097 617 HB2 PRO 77 1HB PRO 77 12.827 -5.245 -4.800 618 HB3 PRO 77 2HB PRO 77 11.347 -4.291 -4.688 619 HG2 PRO 77 1HG PRO 77 13.561 -4.593 -2.684 620 HG3 PRO 77 2HG PRO 77 12.653 -3.136 -3.137 621 HD2 PRO 77 1HD PRO 77 12.129 -4.505 -0.855 622 HD3 PRO 77 2HD PRO 77 10.836 -3.695 -1.758 623 H LYS 78 H LYS 78 11.784 -7.489 -5.629 624 HA LYS 78 HA LYS 78 12.196 -10.047 -4.451 625 HB2 LYS 78 1HB LYS 78 12.829 -10.654 -6.923 626 HB3 LYS 78 2HB LYS 78 11.192 -10.160 -6.546 627 HG2 LYS 78 1HG LYS 78 11.790 -9.113 -8.597 628 HG3 LYS 78 2HG LYS 78 11.743 -7.861 -7.365 629 HD2 LYS 78 1HD LYS 78 13.643 -7.462 -8.796 630 HD3 LYS 78 2HD LYS 78 14.234 -7.966 -7.213 631 HE2 LYS 78 1HE LYS 78 14.712 -10.202 -8.059 632 HE3 LYS 78 2HE LYS 78 13.979 -9.806 -9.617 633 HZ1 LYS 78 3HZ LYS 78 16.419 -9.704 -9.607 634 HZ2 LYS 78 1HZ LYS 78 16.359 -8.437 -8.490 635 HZ3 LYS 78 2HZ LYS 78 15.707 -8.234 -10.039 636 H GLU 79 H GLU 79 14.361 -7.774 -4.042 637 HA GLU 79 HA GLU 79 16.671 -9.569 -4.064 638 HB2 GLU 79 1HB GLU 79 18.078 -7.733 -5.104 639 HB3 GLU 79 2HB GLU 79 16.896 -8.460 -6.189 640 HG2 GLU 79 1HG GLU 79 15.366 -6.493 -5.693 641 HG3 GLU 79 2HG GLU 79 16.718 -5.746 -4.837 642 H ALA 80 H ALA 80 14.786 -8.019 -2.113 643 HA ALA 80 HA ALA 80 16.821 -6.433 -0.631 644 HB1 ALA 80 3HB ALA 80 13.798 -6.311 -0.456 645 HB2 ALA 80 1HB ALA 80 14.828 -5.185 -1.335 646 HB3 ALA 80 2HB ALA 80 14.933 -5.282 0.423 Start of MODEL 17 1 H MET 1 H MET 1 -9.583 -5.948 7.486 2 HA MET 1 HA MET 1 -9.312 -6.732 5.248 3 HB2 MET 1 1HB MET 1 -9.430 -3.777 4.479 4 HB3 MET 1 2HB MET 1 -9.081 -5.115 3.382 5 HG2 MET 1 1HG MET 1 -11.357 -4.412 3.051 6 HG3 MET 1 2HG MET 1 -11.372 -6.005 3.809 7 HE1 MET 1 3HE MET 1 -14.566 -4.396 5.430 8 HE2 MET 1 1HE MET 1 -13.920 -5.788 4.559 9 HE3 MET 1 2HE MET 1 -14.024 -4.216 3.763 10 H SER 2 H SER 2 -7.117 -6.772 4.303 11 HA SER 2 HA SER 2 -5.100 -5.372 5.966 12 HG SER 2 HG SER 2 -4.742 -8.432 3.953 13 HB2 SER 2 1HB SER 2 -3.745 -7.495 5.742 14 HB3 SER 2 2HB SER 2 -5.237 -7.709 6.657 15 H ALA 3 H ALA 3 -3.559 -4.299 4.857 16 HA ALA 3 HA ALA 3 -3.541 -4.458 1.898 17 HB1 ALA 3 3HB ALA 3 -2.560 -2.203 1.962 18 HB2 ALA 3 1HB ALA 3 -2.601 -2.222 3.728 19 HB3 ALA 3 2HB ALA 3 -4.106 -2.251 2.806 20 H LYS 4 H LYS 4 -1.625 -4.848 0.846 21 HA LYS 4 HA LYS 4 0.728 -5.601 2.453 22 HB2 LYS 4 1HB LYS 4 1.394 -7.126 0.663 23 HB3 LYS 4 2HB LYS 4 -0.254 -7.511 1.141 24 HG2 LYS 4 1HG LYS 4 -1.111 -6.329 -0.856 25 HG3 LYS 4 2HG LYS 4 0.536 -5.916 -1.315 26 HD2 LYS 4 1HD LYS 4 -0.024 -7.739 -2.702 27 HD3 LYS 4 2HD LYS 4 0.985 -8.450 -1.445 28 HE2 LYS 4 1HE LYS 4 -2.050 -8.511 -1.417 29 HE3 LYS 4 2HE LYS 4 -1.054 -9.795 -2.091 30 HZ1 LYS 4 3HZ LYS 4 -0.061 -10.097 0.100 31 HZ2 LYS 4 1HZ LYS 4 -1.732 -10.331 0.133 32 HZ3 LYS 4 2HZ LYS 4 -1.071 -8.901 0.737 33 H ILE 5 H ILE 5 2.446 -4.304 2.185 34 HA ILE 5 HA ILE 5 2.534 -2.410 -0.090 35 HB ILE 5 HB ILE 5 4.065 -2.227 2.547 36 HG12 ILE 5 1HG1 ILE 5 1.659 -0.605 1.624 37 HG13 ILE 5 2HG1 ILE 5 1.608 -1.882 2.831 38 HG21 ILE 5 1HG2 ILE 5 5.247 -1.178 0.639 39 HG22 ILE 5 2HG2 ILE 5 4.698 0.036 1.796 40 HG23 ILE 5 3HG2 ILE 5 3.818 -0.200 0.282 41 HD11 ILE 5 3HD1 ILE 5 3.061 0.747 3.039 42 HD12 ILE 5 1HD1 ILE 5 3.140 -0.551 4.238 43 HD13 ILE 5 2HD1 ILE 5 1.608 0.249 3.903 44 H TYR 6 H TYR 6 3.936 -2.888 -1.569 45 HA TYR 6 HA TYR 6 6.523 -4.097 -0.977 46 HD1 TYR 6 HD2 TYR 6 2.630 -5.200 -1.865 47 HD2 TYR 6 HD1 TYR 6 5.519 -5.847 -4.951 48 HE1 TYR 6 HE2 TYR 6 0.824 -5.363 -3.526 49 HE2 TYR 6 HE1 TYR 6 3.716 -6.019 -6.603 50 HH TYR 6 HH TYR 6 1.299 -6.618 -6.617 51 HB2 TYR 6 1HB TYR 6 6.245 -5.863 -2.686 52 HB3 TYR 6 2HB TYR 6 5.075 -6.060 -1.397 53 H ARG 7 H ARG 7 7.737 -4.196 -3.172 54 HA ARG 7 HA ARG 7 6.911 -2.096 -5.065 55 HE ARG 7 HE ARG 7 11.047 0.645 -6.746 56 HB2 ARG 7 1HB ARG 7 8.402 -0.990 -3.419 57 HB3 ARG 7 2HB ARG 7 9.641 -2.193 -3.715 58 HG2 ARG 7 1HG ARG 7 9.782 -1.349 -6.104 59 HG3 ARG 7 2HG ARG 7 8.656 -0.074 -5.654 60 HD2 ARG 7 1HD ARG 7 10.201 0.919 -4.147 61 HD3 ARG 7 2HD ARG 7 11.237 -0.508 -4.142 62 HH11 ARG 7 1HH1 ARG 7 12.655 1.142 -3.666 63 HH12 ARG 7 2HH1 ARG 7 14.049 1.873 -4.384 64 HH21 ARG 7 1HH2 ARG 7 12.855 1.624 -7.654 65 HH22 ARG 7 2HH2 ARG 7 14.170 2.122 -6.642 66 HA PRO 8 HA PRO 8 8.068 -6.046 -7.010 67 HB2 PRO 8 1HB PRO 8 6.493 -5.863 -9.223 68 HB3 PRO 8 2HB PRO 8 5.826 -6.211 -7.621 69 HG2 PRO 8 1HG PRO 8 5.908 -3.593 -9.110 70 HG3 PRO 8 2HG PRO 8 4.573 -4.307 -8.181 71 HD2 PRO 8 1HD PRO 8 6.252 -2.359 -7.189 72 HD3 PRO 8 2HD PRO 8 5.414 -3.542 -6.164 73 H ALA 9 H ALA 9 8.702 -6.655 -9.374 74 HA ALA 9 HA ALA 9 10.786 -4.794 -10.282 75 HB1 ALA 9 3HB ALA 9 10.278 -7.688 -11.052 76 HB2 ALA 9 1HB ALA 9 11.432 -7.123 -9.839 77 HB3 ALA 9 2HB ALA 9 11.670 -6.717 -11.543 78 H LYS 10 H LYS 10 7.599 -5.169 -10.965 79 HA LYS 10 HA LYS 10 7.879 -3.778 -13.517 80 HB2 LYS 10 1HB LYS 10 6.270 -5.116 -14.716 81 HB3 LYS 10 2HB LYS 10 7.514 -6.199 -14.110 82 HG2 LYS 10 1HG LYS 10 6.043 -7.013 -12.355 83 HG3 LYS 10 2HG LYS 10 4.822 -5.805 -12.759 84 HD2 LYS 10 1HD LYS 10 4.198 -8.017 -13.643 85 HD3 LYS 10 2HD LYS 10 4.468 -6.867 -14.956 86 HE2 LYS 10 1HE LYS 10 5.464 -9.035 -15.497 87 HE3 LYS 10 2HE LYS 10 6.722 -7.809 -15.305 88 HZ1 LYS 10 3HZ LYS 10 7.345 -9.864 -14.207 89 HZ2 LYS 10 1HZ LYS 10 5.930 -9.835 -13.276 90 HZ3 LYS 10 2HZ LYS 10 7.112 -8.650 -13.054 91 H THR 11 H THR 11 6.005 -2.580 -14.097 92 HA THR 11 HA THR 11 3.705 -2.455 -12.262 93 HB THR 11 HB THR 11 3.717 0.113 -12.436 94 HG1 THR 11 HG1 THR 11 5.511 1.141 -13.124 95 HG21 THR 11 3HG2 THR 11 6.026 -1.080 -10.852 96 HG22 THR 11 1HG2 THR 11 4.349 -0.976 -10.304 97 HG23 THR 11 2HG2 THR 11 5.285 0.497 -10.572 98 H ALA 12 H ALA 12 5.178 -0.977 -15.132 99 HA ALA 12 HA ALA 12 3.385 -2.274 -16.970 100 HB1 ALA 12 3HB ALA 12 3.290 0.772 -16.775 101 HB2 ALA 12 1HB ALA 12 1.971 -0.328 -16.364 102 HB3 ALA 12 2HB ALA 12 2.525 -0.202 -18.035 103 H MET 13 H MET 13 5.268 0.738 -16.986 104 HA MET 13 HA MET 13 7.706 -0.592 -17.904 105 HB2 MET 13 1HB MET 13 6.498 1.827 -19.346 106 HB3 MET 13 2HB MET 13 8.163 1.296 -19.546 107 HG2 MET 13 1HG MET 13 5.696 -0.285 -20.316 108 HG3 MET 13 2HG MET 13 6.773 0.572 -21.418 109 HE1 MET 13 3HE MET 13 10.048 -1.576 -21.237 110 HE2 MET 13 1HE MET 13 9.696 -0.103 -20.340 111 HE3 MET 13 2HE MET 13 9.237 -0.233 -22.039 112 H GLN 14 H GLN 14 9.603 0.981 -17.564 113 HA GLN 14 HA GLN 14 9.386 2.273 -15.004 114 HB2 GLN 14 1HB GLN 14 11.474 1.139 -15.756 115 HB3 GLN 14 2HB GLN 14 11.684 2.357 -17.009 116 HG2 GLN 14 1HG GLN 14 11.831 4.096 -15.169 117 HG3 GLN 14 2HG GLN 14 11.812 2.773 -14.006 118 HE21 GLN 14 2HE2 GLN 14 13.525 2.771 -17.123 119 HE22 GLN 14 1HE2 GLN 14 15.109 2.732 -16.442 120 H SER 15 H SER 15 7.837 3.892 -15.237 121 HA SER 15 HA SER 15 8.713 6.439 -16.269 122 HG SER 15 HG SER 15 7.371 7.393 -18.636 123 HB2 SER 15 1HB SER 15 7.765 5.345 -18.329 124 HB3 SER 15 2HB SER 15 6.221 5.151 -17.499 125 H GLY 16 H GLY 16 7.726 8.085 -15.156 126 HA2 GLY 16 1HA GLY 16 6.520 9.156 -13.533 127 HA3 GLY 16 2HA GLY 16 5.249 7.966 -13.783 128 H THR 17 H THR 17 8.546 7.186 -12.824 129 HA THR 17 HA THR 17 7.623 6.297 -10.152 130 HB THR 17 HB THR 17 9.365 4.437 -10.414 131 HG1 THR 17 HG1 THR 17 9.900 3.989 -12.688 132 HG21 THR 17 3HG2 THR 17 6.973 3.918 -10.763 133 HG22 THR 17 1HG2 THR 17 7.987 2.982 -11.863 134 HG23 THR 17 2HG2 THR 17 7.109 4.394 -12.459 135 H ALA 18 H ALA 18 8.949 6.769 -8.418 136 HA ALA 18 HA ALA 18 10.879 8.817 -8.505 137 HB1 ALA 18 3HB ALA 18 10.507 6.692 -6.363 138 HB2 ALA 18 1HB ALA 18 9.632 8.221 -6.462 139 HB3 ALA 18 2HB ALA 18 11.372 8.220 -6.164 140 H LYS 19 H LYS 19 11.239 5.290 -8.415 141 HA LYS 19 HA LYS 19 13.726 5.389 -9.887 142 HB2 LYS 19 1HB LYS 19 14.527 5.709 -7.523 143 HB3 LYS 19 2HB LYS 19 13.735 4.208 -7.057 144 HG2 LYS 19 1HG LYS 19 15.248 2.958 -8.591 145 HG3 LYS 19 2HG LYS 19 16.052 4.471 -9.017 146 HD2 LYS 19 1HD LYS 19 15.979 3.203 -6.245 147 HD3 LYS 19 2HD LYS 19 17.353 3.208 -7.352 148 HE2 LYS 19 1HE LYS 19 16.102 5.676 -6.097 149 HE3 LYS 19 2HE LYS 19 17.599 4.907 -5.577 150 HZ1 LYS 19 3HZ LYS 19 17.120 6.188 -8.215 151 HZ2 LYS 19 1HZ LYS 19 18.545 5.400 -7.762 152 HZ3 LYS 19 2HZ LYS 19 18.059 6.805 -6.959 153 H THR 20 H THR 20 13.675 3.676 -11.239 154 HA THR 20 HA THR 20 12.983 1.856 -12.367 155 HB THR 20 HB THR 20 13.105 -0.352 -11.170 156 HG1 THR 20 HG1 THR 20 14.029 0.144 -8.850 157 HG21 THR 20 3HG2 THR 20 15.181 0.682 -12.017 158 HG22 THR 20 1HG2 THR 20 15.478 -0.202 -10.519 159 HG23 THR 20 2HG2 THR 20 15.370 1.560 -10.495 160 H ASN 21 H ASN 21 11.257 0.792 -9.447 161 HA ASN 21 HA ASN 21 8.651 1.200 -10.773 162 HB2 ASN 21 1HB ASN 21 9.320 -1.133 -8.921 163 HB3 ASN 21 2HB ASN 21 7.805 -0.862 -9.785 164 HD21 ASN 21 2HD2 ASN 21 11.133 -1.762 -10.080 165 HD22 ASN 21 1HD2 ASN 21 11.018 -2.503 -11.633 166 H VAL 22 H VAL 22 6.940 1.639 -9.305 167 HA VAL 22 HA VAL 22 7.779 3.003 -6.840 168 HB VAL 22 HB VAL 22 5.281 3.654 -6.737 169 HG11 VAL 22 1HG1 VAL 22 7.012 5.216 -7.457 170 HG12 VAL 22 2HG1 VAL 22 5.558 5.440 -8.432 171 HG13 VAL 22 3HG1 VAL 22 6.946 4.575 -9.097 172 HG21 VAL 22 3HG2 VAL 22 4.023 3.507 -8.864 173 HG22 VAL 22 1HG2 VAL 22 4.396 1.906 -8.222 174 HG23 VAL 22 2HG2 VAL 22 5.330 2.554 -9.574 175 H TRP 23 H TRP 23 6.088 2.767 -5.005 176 HA TRP 23 HA TRP 23 6.166 -0.026 -4.148 177 HD1 TRP 23 HD1 TRP 23 8.222 3.180 -3.396 178 HE1 TRP 23 HE1 TRP 23 10.395 2.555 -2.202 179 HE3 TRP 23 HE3 TRP 23 6.523 -0.780 -0.639 180 HZ2 TRP 23 HZ2 TRP 23 11.304 0.616 -0.338 181 HZ3 TRP 23 HZ3 TRP 23 8.104 -1.979 0.819 182 HH2 TRP 23 HH2 TRP 23 10.450 -1.305 0.966 183 HB2 TRP 23 1HB TRP 23 5.601 2.571 -2.660 184 HB3 TRP 23 2HB TRP 23 5.380 0.985 -1.926 185 H VAL 24 H VAL 24 4.369 -1.207 -4.360 186 HA VAL 24 HA VAL 24 1.853 0.138 -5.068 187 HB VAL 24 HB VAL 24 2.628 -2.793 -5.441 188 HG11 VAL 24 1HG1 VAL 24 0.235 -1.222 -6.459 189 HG12 VAL 24 2HG1 VAL 24 0.204 -2.488 -5.228 190 HG13 VAL 24 3HG1 VAL 24 0.624 -2.886 -6.893 191 HG21 VAL 24 3HG2 VAL 24 2.567 -0.548 -7.502 192 HG22 VAL 24 1HG2 VAL 24 2.847 -2.259 -7.852 193 HG23 VAL 24 2HG2 VAL 24 4.013 -1.351 -6.886 194 H LEU 25 H LEU 25 0.036 -0.181 -3.925 195 HA LEU 25 HA LEU 25 0.142 -1.595 -1.333 196 HG LEU 25 HG LEU 25 -2.564 -0.347 -0.390 197 HB2 LEU 25 1HB LEU 25 0.127 0.871 -1.111 198 HB3 LEU 25 2HB LEU 25 -1.271 0.984 -2.169 199 HD11 LEU 25 1HD1 LEU 25 -0.157 0.336 1.314 200 HD12 LEU 25 2HD1 LEU 25 -0.680 -1.281 0.830 201 HD13 LEU 25 3HD1 LEU 25 -1.694 -0.313 1.896 202 HD21 LEU 25 3HD2 LEU 25 -2.901 2.045 -0.699 203 HD22 LEU 25 1HD2 LEU 25 -1.533 2.401 0.361 204 HD23 LEU 25 2HD2 LEU 25 -2.981 1.626 1.009 205 H GLU 26 H GLU 26 -0.955 -3.400 -1.703 206 HA GLU 26 HA GLU 26 -3.475 -3.332 -3.292 207 HB2 GLU 26 1HB GLU 26 -1.679 -4.598 -4.441 208 HB3 GLU 26 2HB GLU 26 -1.445 -5.612 -3.025 209 HG2 GLU 26 1HG GLU 26 -3.682 -6.581 -3.320 210 HG3 GLU 26 2HG GLU 26 -3.991 -5.495 -4.676 211 H PHE 27 H PHE 27 -5.260 -3.982 -2.217 212 HA PHE 27 HA PHE 27 -5.043 -5.600 0.217 213 HD1 PHE 27 HD1 PHE 27 -4.985 -1.408 -0.626 214 HD2 PHE 27 HD2 PHE 27 -8.553 -3.174 0.948 215 HE1 PHE 27 HE1 PHE 27 -6.285 0.549 -1.337 216 HE2 PHE 27 HE2 PHE 27 -9.843 -1.217 0.215 217 HZ PHE 27 HZ PHE 27 -8.711 0.650 -0.924 218 HB2 PHE 27 1HB PHE 27 -6.382 -4.056 1.576 219 HB3 PHE 27 2HB PHE 27 -4.906 -3.284 1.050 220 H ASP 28 H ASP 28 -7.008 -6.573 0.866 221 HA ASP 28 HA ASP 28 -8.907 -7.227 -1.107 222 HB2 ASP 28 1HB ASP 28 -8.598 -8.632 0.892 223 HB3 ASP 28 2HB ASP 28 -9.182 -7.327 1.926 224 H ALA 29 H ALA 29 -10.138 -5.772 -2.065 225 HA ALA 29 HA ALA 29 -10.319 -3.099 -1.338 226 HB1 ALA 29 3HB ALA 29 -10.568 -3.927 -3.639 227 HB2 ALA 29 1HB ALA 29 -11.913 -2.885 -3.181 228 HB3 ALA 29 2HB ALA 29 -12.130 -4.636 -3.222 229 H GLU 30 H GLU 30 -11.510 -2.084 0.145 230 HA GLU 30 HA GLU 30 -13.888 -3.270 1.362 231 HB2 GLU 30 1HB GLU 30 -13.817 -1.271 2.847 232 HB3 GLU 30 2HB GLU 30 -12.281 -2.129 2.818 233 HG2 GLU 30 1HG GLU 30 -11.286 -0.447 1.383 234 HG3 GLU 30 2HG GLU 30 -12.840 0.365 1.184 235 H VAL 31 H VAL 31 -14.006 -2.596 -1.474 236 HA VAL 31 HA VAL 31 -16.059 -0.492 -1.513 237 HB VAL 31 HB VAL 31 -13.955 0.482 -2.361 238 HG11 VAL 31 1HG1 VAL 31 -12.910 -0.248 -4.485 239 HG12 VAL 31 2HG1 VAL 31 -13.982 -1.651 -4.523 240 HG13 VAL 31 3HG1 VAL 31 -12.796 -1.484 -3.230 241 HG21 VAL 31 3HG2 VAL 31 -14.818 1.385 -4.486 242 HG22 VAL 31 1HG2 VAL 31 -16.081 1.295 -3.256 243 HG23 VAL 31 2HG2 VAL 31 -16.022 0.096 -4.550 244 HA PRO 32 HA PRO 32 -18.146 -3.620 -4.157 245 HB2 PRO 32 1HB PRO 32 -20.656 -2.808 -3.732 246 HB3 PRO 32 2HB PRO 32 -19.769 -3.622 -2.435 247 HG2 PRO 32 1HG PRO 32 -20.276 -0.672 -2.820 248 HG3 PRO 32 2HG PRO 32 -20.400 -1.636 -1.332 249 HD2 PRO 32 1HD PRO 32 -18.177 -0.107 -2.029 250 HD3 PRO 32 2HD PRO 32 -18.141 -1.478 -0.901 251 H ARG 33 H ARG 33 -20.424 -2.591 -5.544 252 HA ARG 33 HA ARG 33 -19.532 -1.112 -7.715 253 HE ARG 33 HE ARG 33 -24.199 -0.487 -4.251 254 HB2 ARG 33 1HB ARG 33 -21.839 -0.721 -8.318 255 HB3 ARG 33 2HB ARG 33 -21.715 -2.330 -7.633 256 HG2 ARG 33 1HG ARG 33 -22.754 0.094 -6.117 257 HG3 ARG 33 2HG ARG 33 -23.773 -1.067 -6.966 258 HD2 ARG 33 1HD ARG 33 -23.044 -2.853 -5.485 259 HD3 ARG 33 2HD ARG 33 -21.911 -1.765 -4.680 260 HH11 ARG 33 1HH1 ARG 33 -23.525 -3.925 -3.893 261 HH12 ARG 33 2HH1 ARG 33 -24.611 -4.121 -2.559 262 HH21 ARG 33 1HH2 ARG 33 -25.585 -0.742 -2.487 263 HH22 ARG 33 2HH2 ARG 33 -25.784 -2.304 -1.755 264 H LYS 34 H LYS 34 -20.560 0.087 -4.559 265 HA LYS 34 HA LYS 34 -20.814 2.843 -5.368 266 HB2 LYS 34 1HB LYS 34 -22.034 1.707 -3.387 267 HB3 LYS 34 2HB LYS 34 -20.525 1.868 -2.500 268 HG2 LYS 34 1HG LYS 34 -22.023 3.699 -1.928 269 HG3 LYS 34 2HG LYS 34 -20.628 4.339 -2.809 270 HD2 LYS 34 1HD LYS 34 -21.976 4.416 -4.888 271 HD3 LYS 34 2HD LYS 34 -23.364 3.752 -4.023 272 HE2 LYS 34 1HE LYS 34 -23.590 6.176 -4.309 273 HE3 LYS 34 2HE LYS 34 -23.431 5.774 -2.599 274 HZ1 LYS 34 3HZ LYS 34 -22.093 7.696 -3.219 275 HZ2 LYS 34 1HZ LYS 34 -21.234 6.767 -4.342 276 HZ3 LYS 34 2HZ LYS 34 -21.114 6.429 -2.688 277 H ILE 35 H ILE 35 -18.950 3.510 -6.258 278 HA ILE 35 HA ILE 35 -16.371 2.925 -4.971 279 HB ILE 35 HB ILE 35 -15.423 3.599 -7.252 280 HG12 ILE 35 1HG1 ILE 35 -17.139 3.242 -9.205 281 HG13 ILE 35 2HG1 ILE 35 -18.380 3.607 -8.017 282 HG21 ILE 35 1HG2 ILE 35 -15.956 1.417 -8.285 283 HG22 ILE 35 2HG2 ILE 35 -17.269 1.197 -7.126 284 HG23 ILE 35 3HG2 ILE 35 -15.598 1.272 -6.561 285 HD11 ILE 35 3HD1 ILE 35 -17.464 5.834 -7.731 286 HD12 ILE 35 1HD1 ILE 35 -17.824 5.505 -9.424 287 HD13 ILE 35 2HD1 ILE 35 -16.156 5.461 -8.856 288 H ASP 36 H ASP 36 -14.763 4.521 -4.684 289 HA ASP 36 HA ASP 36 -15.645 7.219 -4.174 290 HB2 ASP 36 1HB ASP 36 -12.898 5.896 -4.092 291 HB3 ASP 36 2HB ASP 36 -13.096 7.622 -3.816 292 HA PRO 37 HA PRO 37 -14.686 8.944 -8.266 293 HB2 PRO 37 1HB PRO 37 -14.328 11.579 -7.600 294 HB3 PRO 37 2HB PRO 37 -15.923 10.820 -7.672 295 HG2 PRO 37 1HG PRO 37 -14.179 11.315 -5.259 296 HG3 PRO 37 2HG PRO 37 -15.916 11.626 -5.457 297 HD2 PRO 37 1HD PRO 37 -15.025 9.416 -4.176 298 HD3 PRO 37 2HD PRO 37 -16.490 9.368 -5.181 299 H ILE 38 H ILE 38 -12.526 8.754 -5.634 300 HA ILE 38 HA ILE 38 -10.162 9.895 -6.677 301 HB ILE 38 HB ILE 38 -10.409 7.478 -4.817 302 HG12 ILE 38 1HG1 ILE 38 -11.623 9.387 -3.859 303 HG13 ILE 38 2HG1 ILE 38 -10.161 9.085 -2.930 304 HG21 ILE 38 1HG2 ILE 38 -8.052 9.355 -5.228 305 HG22 ILE 38 2HG2 ILE 38 -8.148 7.670 -5.741 306 HG23 ILE 38 3HG2 ILE 38 -8.140 8.066 -4.024 307 HD11 ILE 38 3HD1 ILE 38 -10.572 11.454 -3.210 308 HD12 ILE 38 1HD1 ILE 38 -10.554 11.281 -4.962 309 HD13 ILE 38 2HD1 ILE 38 -9.080 10.992 -4.030 310 H MET 39 H MET 39 -10.754 6.368 -6.388 311 HA MET 39 HA MET 39 -9.143 5.849 -8.798 312 HB2 MET 39 1HB MET 39 -10.235 3.898 -6.714 313 HB3 MET 39 2HB MET 39 -9.114 3.504 -8.011 314 HG2 MET 39 1HG MET 39 -7.421 4.977 -6.981 315 HG3 MET 39 2HG MET 39 -8.541 5.333 -5.665 316 HE1 MET 39 3HE MET 39 -8.848 1.773 -3.947 317 HE2 MET 39 1HE MET 39 -9.907 2.409 -5.203 318 HE3 MET 39 2HE MET 39 -9.371 3.457 -3.888 319 H GLY 40 H GLY 40 -11.978 4.172 -7.416 320 HA2 GLY 40 1HA GLY 40 -14.066 3.734 -8.177 321 HA3 GLY 40 2HA GLY 40 -13.902 5.134 -9.216 322 H TYR 41 H TYR 41 -11.705 2.413 -9.544 323 HA TYR 41 HA TYR 41 -12.800 1.930 -12.233 324 HD1 TYR 41 HD1 TYR 41 -9.742 2.200 -9.394 325 HD2 TYR 41 HD2 TYR 41 -9.521 -0.969 -12.255 326 HE1 TYR 41 HE1 TYR 41 -8.141 0.997 -7.954 327 HE2 TYR 41 HE2 TYR 41 -7.936 -2.165 -10.825 328 HH TYR 41 HH TYR 41 -6.310 -1.640 -9.078 329 HB2 TYR 41 1HB TYR 41 -10.679 0.998 -12.847 330 HB3 TYR 41 2HB TYR 41 -10.356 2.479 -11.969 331 H THR 42 H THR 42 -13.583 0.745 -9.383 332 HA THR 42 HA THR 42 -13.584 -2.109 -9.922 333 HB THR 42 HB THR 42 -15.072 -0.606 -7.712 334 HG1 THR 42 HG1 THR 42 -12.417 -1.647 -7.785 335 HG21 THR 42 3HG2 THR 42 -14.929 -2.742 -6.466 336 HG22 THR 42 1HG2 THR 42 -14.134 -3.504 -7.845 337 HG23 THR 42 2HG2 THR 42 -15.809 -2.965 -7.980 338 H SER 43 H SER 43 -14.592 -1.345 -12.094 339 HA SER 43 HA SER 43 -17.416 -0.854 -12.226 340 HG SER 43 HG SER 43 -15.790 0.604 -13.137 341 HB2 SER 43 1HB SER 43 -15.501 -1.784 -14.409 342 HB3 SER 43 2HB SER 43 -17.111 -1.092 -14.659 343 H SER 44 H SER 44 -15.519 -3.600 -11.686 344 HA SER 44 HA SER 44 -16.886 -5.759 -12.770 345 HG SER 44 HG SER 44 -14.769 -5.829 -9.275 346 HB2 SER 44 1HB SER 44 -15.932 -6.990 -10.712 347 HB3 SER 44 2HB SER 44 -14.757 -6.103 -11.683 348 H SER 45 H SER 45 -17.454 -4.031 -9.703 349 HA SER 45 HA SER 45 -19.216 -3.783 -8.306 350 HG SER 45 HG SER 45 -22.511 -3.521 -9.636 351 HB2 SER 45 1HB SER 45 -20.443 -3.105 -10.343 352 HB3 SER 45 2HB SER 45 -20.831 -4.785 -10.695 353 H ASP 46 H ASP 46 -17.845 -6.532 -8.706 354 HA ASP 46 HA ASP 46 -19.968 -8.434 -7.993 355 HB2 ASP 46 1HB ASP 46 -18.378 -8.948 -9.847 356 HB3 ASP 46 2HB ASP 46 -17.041 -8.899 -8.704 357 H MET 47 H MET 47 -20.262 -7.482 -5.891 358 HA MET 47 HA MET 47 -20.153 -7.364 -3.652 359 HB2 MET 47 1HB MET 47 -18.369 -9.792 -4.028 360 HB3 MET 47 2HB MET 47 -18.779 -9.186 -2.425 361 HG2 MET 47 1HG MET 47 -20.218 -11.064 -3.091 362 HG3 MET 47 2HG MET 47 -21.157 -9.588 -2.857 363 HE1 MET 47 3HE MET 47 -22.445 -12.063 -4.337 364 HE2 MET 47 1HE MET 47 -23.178 -11.289 -5.741 365 HE3 MET 47 2HE MET 47 -23.268 -10.510 -4.162 366 H LYS 48 H LYS 48 -16.766 -8.342 -4.106 367 HA LYS 48 HA LYS 48 -15.721 -5.698 -4.285 368 HB2 LYS 48 1HB LYS 48 -14.404 -5.549 -2.265 369 HB3 LYS 48 2HB LYS 48 -16.073 -5.803 -1.789 370 HG2 LYS 48 1HG LYS 48 -13.997 -8.019 -1.870 371 HG3 LYS 48 2HG LYS 48 -14.344 -7.066 -0.432 372 HD2 LYS 48 1HD LYS 48 -16.499 -8.647 -1.869 373 HD3 LYS 48 2HD LYS 48 -15.466 -9.387 -0.650 374 HE2 LYS 48 1HE LYS 48 -17.597 -8.712 0.328 375 HE3 LYS 48 2HE LYS 48 -16.291 -7.755 1.022 376 HZ1 LYS 48 3HZ LYS 48 -16.914 -5.916 -0.349 377 HZ2 LYS 48 1HZ LYS 48 -18.281 -6.462 0.474 378 HZ3 LYS 48 2HZ LYS 48 -18.072 -6.836 -1.160 379 H GLN 49 H GLN 49 -13.626 -5.729 -5.086 380 HA GLN 49 HA GLN 49 -12.424 -8.365 -5.699 381 HB2 GLN 49 1HB GLN 49 -11.160 -7.172 -7.437 382 HB3 GLN 49 2HB GLN 49 -12.879 -6.847 -7.618 383 HG2 GLN 49 1HG GLN 49 -12.620 -4.633 -6.674 384 HG3 GLN 49 2HG GLN 49 -10.926 -4.944 -6.292 385 HE21 GLN 49 2HE2 GLN 49 -10.312 -6.259 -8.813 386 HE22 GLN 49 1HE2 GLN 49 -10.293 -5.029 -10.021 387 H GLN 50 H GLN 50 -9.731 -7.356 -6.044 388 HA GLN 50 HA GLN 50 -9.022 -6.101 -3.448 389 HB2 GLN 50 1HB GLN 50 -7.352 -8.072 -5.092 390 HB3 GLN 50 2HB GLN 50 -6.799 -7.232 -3.644 391 HG2 GLN 50 1HG GLN 50 -8.419 -8.413 -2.274 392 HG3 GLN 50 2HG GLN 50 -9.129 -9.169 -3.699 393 HE21 GLN 50 2HE2 GLN 50 -7.953 -10.790 -4.780 394 HE22 GLN 50 1HE2 GLN 50 -6.669 -11.649 -4.003 395 H VAL 51 H VAL 51 -8.887 -3.878 -4.117 396 HA VAL 51 HA VAL 51 -7.755 -3.215 -6.682 397 HB VAL 51 HB VAL 51 -8.216 -0.861 -6.024 398 HG11 VAL 51 1HG1 VAL 51 -10.593 -2.694 -5.554 399 HG12 VAL 51 2HG1 VAL 51 -10.009 -2.132 -7.121 400 HG13 VAL 51 3HG1 VAL 51 -10.678 -0.979 -5.966 401 HG21 VAL 51 3HG2 VAL 51 -9.398 -0.335 -3.914 402 HG22 VAL 51 1HG2 VAL 51 -7.798 -1.015 -3.599 403 HG23 VAL 51 2HG2 VAL 51 -9.238 -2.016 -3.401 404 H LYS 52 H LYS 52 -6.080 -1.487 -6.783 405 HA LYS 52 HA LYS 52 -4.144 -1.490 -4.608 406 HB2 LYS 52 1HB LYS 52 -2.281 -2.274 -6.007 407 HB3 LYS 52 2HB LYS 52 -3.541 -3.488 -5.843 408 HG2 LYS 52 1HG LYS 52 -4.382 -2.637 -8.151 409 HG3 LYS 52 2HG LYS 52 -2.793 -1.873 -8.283 410 HD2 LYS 52 1HD LYS 52 -3.372 -4.831 -7.923 411 HD3 LYS 52 2HD LYS 52 -2.748 -4.048 -9.373 412 HE2 LYS 52 1HE LYS 52 -0.671 -3.521 -8.213 413 HE3 LYS 52 2HE LYS 52 -1.310 -4.200 -6.717 414 HZ1 LYS 52 3HZ LYS 52 -0.839 -5.716 -9.211 415 HZ2 LYS 52 1HZ LYS 52 -1.386 -6.352 -7.743 416 HZ3 LYS 52 2HZ LYS 52 0.176 -5.706 -7.859 417 H LEU 53 H LEU 53 -2.726 0.096 -4.615 418 HA LEU 53 HA LEU 53 -3.124 2.419 -6.417 419 HG LEU 53 HG LEU 53 -5.062 3.302 -4.841 420 HB2 LEU 53 1HB LEU 53 -2.509 2.454 -3.418 421 HB3 LEU 53 2HB LEU 53 -2.581 3.867 -4.454 422 HD11 LEU 53 1HD1 LEU 53 -4.650 1.505 -2.429 423 HD12 LEU 53 2HD1 LEU 53 -5.075 0.978 -4.061 424 HD13 LEU 53 3HD1 LEU 53 -6.202 1.964 -3.136 425 HD21 LEU 53 3HD2 LEU 53 -4.202 4.057 -2.035 426 HD22 LEU 53 1HD2 LEU 53 -5.770 4.399 -2.773 427 HD23 LEU 53 2HD2 LEU 53 -4.312 5.153 -3.415 428 H THR 54 H THR 54 -1.152 3.721 -6.712 429 HA THR 54 HA THR 54 1.388 2.371 -5.989 430 HB THR 54 HB THR 54 2.276 3.518 -8.127 431 HG1 THR 54 HG1 THR 54 0.455 4.892 -8.459 432 HG21 THR 54 3HG2 THR 54 0.216 1.304 -8.454 433 HG22 THR 54 1HG2 THR 54 1.912 1.079 -8.008 434 HG23 THR 54 2HG2 THR 54 1.494 1.703 -9.607 435 H PHE 55 H PHE 55 2.898 3.547 -5.006 436 HA PHE 55 HA PHE 55 2.699 6.496 -4.776 437 HD1 PHE 55 HD2 PHE 55 1.190 7.713 -2.644 438 HD2 PHE 55 HD1 PHE 55 0.986 3.452 -2.333 439 HE1 PHE 55 HE2 PHE 55 -1.203 7.863 -2.109 440 HE2 PHE 55 HE1 PHE 55 -1.407 3.614 -1.802 441 HZ PHE 55 HZ PHE 55 -2.503 5.815 -1.688 442 HB2 PHE 55 1HB PHE 55 3.133 4.545 -2.463 443 HB3 PHE 55 2HB PHE 55 3.261 6.295 -2.335 444 H GLU 56 H GLU 56 4.734 7.532 -4.288 445 HA GLU 56 HA GLU 56 6.996 6.460 -5.628 446 HB2 GLU 56 1HB GLU 56 6.851 8.776 -3.656 447 HB3 GLU 56 2HB GLU 56 8.220 8.440 -4.700 448 HG2 GLU 56 1HG GLU 56 5.479 8.948 -5.865 449 HG3 GLU 56 2HG GLU 56 6.516 10.289 -5.383 450 H THR 57 H THR 57 5.983 6.383 -2.275 451 HA THR 57 HA THR 57 8.356 4.829 -1.473 452 HB THR 57 HB THR 57 8.330 6.063 0.762 453 HG1 THR 57 HG1 THR 57 7.361 8.287 0.485 454 HG21 THR 57 3HG2 THR 57 9.617 8.022 -0.024 455 HG22 THR 57 1HG2 THR 57 9.031 7.757 -1.670 456 HG23 THR 57 2HG2 THR 57 10.082 6.565 -0.903 457 H GLN 58 H GLN 58 8.056 3.562 0.418 458 HA GLN 58 HA GLN 58 5.679 2.188 0.876 459 HB2 GLN 58 1HB GLN 58 7.834 1.310 1.590 460 HB3 GLN 58 2HB GLN 58 8.101 2.680 2.661 461 HG2 GLN 58 1HG GLN 58 6.134 1.895 4.029 462 HG3 GLN 58 2HG GLN 58 6.077 0.453 3.014 463 HE21 GLN 58 2HE2 GLN 58 6.632 0.873 5.909 464 HE22 GLN 58 1HE2 GLN 58 8.117 0.033 6.194 465 H GLU 59 H GLU 59 7.070 4.998 2.485 466 HA GLU 59 HA GLU 59 5.557 5.374 4.719 467 HB2 GLU 59 1HB GLU 59 6.542 7.558 2.834 468 HB3 GLU 59 2HB GLU 59 6.173 7.759 4.547 469 HG2 GLU 59 1HG GLU 59 8.023 6.246 5.127 470 HG3 GLU 59 2HG GLU 59 8.387 6.023 3.413 471 H GLN 60 H GLN 60 4.793 6.532 1.444 472 HA GLN 60 HA GLN 60 2.411 7.951 2.149 473 HB2 GLN 60 1HB GLN 60 3.476 6.977 -0.529 474 HB3 GLN 60 2HB GLN 60 2.056 8.008 -0.353 475 HG2 GLN 60 1HG GLN 60 3.433 9.779 0.637 476 HG3 GLN 60 2HG GLN 60 4.860 8.747 0.529 477 HE21 GLN 60 2HE2 GLN 60 5.840 8.441 -1.476 478 HE22 GLN 60 1HE2 GLN 60 5.433 9.405 -2.851 479 H ALA 61 H ALA 61 3.060 4.585 1.193 480 HA ALA 61 HA ALA 61 0.347 3.914 0.544 481 HB1 ALA 61 3HB ALA 61 1.218 1.613 0.424 482 HB2 ALA 61 1HB ALA 61 2.746 2.146 1.138 483 HB3 ALA 61 2HB ALA 61 2.259 2.738 -0.452 484 H GLU 62 H GLU 62 2.484 3.427 3.340 485 HA GLU 62 HA GLU 62 0.570 2.037 4.915 486 HB2 GLU 62 1HB GLU 62 2.121 2.297 6.799 487 HB3 GLU 62 2HB GLU 62 2.941 1.746 5.348 488 HG2 GLU 62 1HG GLU 62 3.819 4.012 4.976 489 HG3 GLU 62 2HG GLU 62 2.990 4.569 6.429 490 H ALA 63 H ALA 63 1.565 5.472 4.834 491 HA ALA 63 HA ALA 63 -0.063 6.390 6.895 492 HB1 ALA 63 3HB ALA 63 0.776 7.873 4.388 493 HB2 ALA 63 1HB ALA 63 1.726 7.723 5.867 494 HB3 ALA 63 2HB ALA 63 0.199 8.611 5.887 495 H TYR 64 H TYR 64 -0.883 5.725 3.492 496 HA TYR 64 HA TYR 64 -3.511 6.827 3.520 497 HD1 TYR 64 HD2 TYR 64 -4.712 7.374 1.003 498 HD2 TYR 64 HD1 TYR 64 -4.272 3.137 1.327 499 HE1 TYR 64 HE2 TYR 64 -6.921 7.061 -0.029 500 HE2 TYR 64 HE1 TYR 64 -6.478 2.823 0.291 501 HH TYR 64 HH TYR 64 -8.544 4.036 -0.086 502 HB2 TYR 64 1HB TYR 64 -2.410 6.269 1.383 503 HB3 TYR 64 2HB TYR 64 -2.369 4.563 1.818 504 H ALA 65 H ALA 65 -2.390 3.446 3.838 505 HA ALA 65 HA ALA 65 -4.759 2.167 4.434 506 HB1 ALA 65 3HB ALA 65 -3.357 0.373 5.384 507 HB2 ALA 65 1HB ALA 65 -1.981 1.478 5.448 508 HB3 ALA 65 2HB ALA 65 -2.660 1.005 3.888 509 H GLN 66 H GLN 66 -2.451 3.600 6.755 510 HA GLN 66 HA GLN 66 -3.790 2.868 9.134 511 HB2 GLN 66 1HB GLN 66 -1.694 4.992 8.564 512 HB3 GLN 66 2HB GLN 66 -2.324 4.706 10.186 513 HG2 GLN 66 1HG GLN 66 -1.496 2.412 10.142 514 HG3 GLN 66 2HG GLN 66 -0.932 2.623 8.484 515 HE21 GLN 66 2HE2 GLN 66 0.964 3.825 8.109 516 HE22 GLN 66 1HE2 GLN 66 2.050 4.243 9.381 517 H ARG 67 H ARG 67 -3.873 5.863 7.203 518 HA ARG 67 HA ARG 67 -5.648 7.454 8.661 519 HE ARG 67 HE ARG 67 -7.618 11.015 5.329 520 HB2 ARG 67 1HB ARG 67 -4.428 8.272 6.704 521 HB3 ARG 67 2HB ARG 67 -5.254 7.127 5.659 522 HG2 ARG 67 1HG ARG 67 -7.396 8.346 6.073 523 HG3 ARG 67 2HG ARG 67 -6.502 9.532 7.031 524 HD2 ARG 67 1HD ARG 67 -5.136 10.093 5.042 525 HD3 ARG 67 2HD ARG 67 -6.031 8.899 4.097 526 HH11 ARG 67 1HH1 ARG 67 -6.008 9.899 2.390 527 HH12 ARG 67 2HH1 ARG 67 -6.880 10.991 1.364 528 HH21 ARG 67 1HH2 ARG 67 -8.736 12.442 3.954 529 HH22 ARG 67 2HH2 ARG 67 -8.428 12.429 2.249 530 H LYS 68 H LYS 68 -6.283 4.710 6.526 531 HA LYS 68 HA LYS 68 -9.191 4.991 6.605 532 HB2 LYS 68 1HB LYS 68 -7.316 2.943 5.348 533 HB3 LYS 68 2HB LYS 68 -9.071 2.845 5.237 534 HG2 LYS 68 1HG LYS 68 -7.392 5.140 4.162 535 HG3 LYS 68 2HG LYS 68 -8.004 3.785 3.203 536 HD2 LYS 68 1HD LYS 68 -10.332 4.445 3.770 537 HD3 LYS 68 2HD LYS 68 -9.716 5.811 4.704 538 HE2 LYS 68 1HE LYS 68 -8.787 6.811 2.660 539 HE3 LYS 68 2HE LYS 68 -9.311 5.409 1.720 540 HZ1 LYS 68 3HZ LYS 68 -11.101 7.297 3.160 541 HZ2 LYS 68 1HZ LYS 68 -11.608 5.941 2.279 542 HZ3 LYS 68 2HZ LYS 68 -10.856 7.228 1.487 543 H GLY 69 H GLY 69 -6.669 3.384 8.419 544 HA2 GLY 69 1HA GLY 69 -6.930 2.178 10.397 545 HA3 GLY 69 2HA GLY 69 -8.608 1.843 9.996 546 H ILE 70 H ILE 70 -6.983 1.301 7.248 547 HA ILE 70 HA ILE 70 -7.152 -1.535 7.325 548 HB ILE 70 HB ILE 70 -5.446 0.054 5.349 549 HG12 ILE 70 1HG1 ILE 70 -8.370 -0.782 5.043 550 HG13 ILE 70 2HG1 ILE 70 -7.831 0.855 5.398 551 HG21 ILE 70 1HG2 ILE 70 -5.799 -1.888 3.836 552 HG22 ILE 70 2HG2 ILE 70 -6.672 -2.721 5.125 553 HG23 ILE 70 3HG2 ILE 70 -4.958 -2.352 5.315 554 HD11 ILE 70 3HD1 ILE 70 -6.671 0.933 3.223 555 HD12 ILE 70 1HD1 ILE 70 -8.399 0.625 3.053 556 HD13 ILE 70 2HD1 ILE 70 -7.248 -0.697 2.867 557 H GLU 71 H GLU 71 -6.039 -2.634 8.711 558 HA GLU 71 HA GLU 71 -3.377 -2.311 9.645 559 HB2 GLU 71 1HB GLU 71 -3.441 -4.842 10.004 560 HB3 GLU 71 2HB GLU 71 -4.733 -3.940 10.791 561 HG2 GLU 71 1HG GLU 71 -6.305 -4.613 9.044 562 HG3 GLU 71 2HG GLU 71 -5.011 -5.411 8.153 563 H TYR 72 H TYR 72 -1.318 -3.052 8.736 564 HA TYR 72 HA TYR 72 -1.417 -4.031 5.956 565 HD1 TYR 72 HD2 TYR 72 -1.007 -0.466 8.238 566 HD2 TYR 72 HD1 TYR 72 2.302 -1.894 5.942 567 HE1 TYR 72 HE2 TYR 72 0.541 0.839 9.637 568 HE2 TYR 72 HE1 TYR 72 3.841 -0.598 7.341 569 HH TYR 72 HH TYR 72 3.730 1.460 8.783 570 HB2 TYR 72 1HB TYR 72 0.052 -2.278 5.142 571 HB3 TYR 72 2HB TYR 72 -1.322 -1.517 5.930 572 H ARG 73 H ARG 73 0.280 -5.228 5.299 573 HA ARG 73 HA ARG 73 2.558 -5.729 7.123 574 HE ARG 73 HE ARG 73 4.720 -10.188 7.055 575 HB2 ARG 73 1HB ARG 73 1.108 -7.714 6.859 576 HB3 ARG 73 2HB ARG 73 1.201 -7.585 5.110 577 HG2 ARG 73 1HG ARG 73 2.629 -9.394 5.908 578 HG3 ARG 73 2HG ARG 73 3.606 -8.122 5.177 579 HD2 ARG 73 1HD ARG 73 4.217 -7.287 7.399 580 HD3 ARG 73 2HD ARG 73 3.194 -8.508 8.160 581 HH11 ARG 73 1HH1 ARG 73 5.941 -6.972 7.824 582 HH12 ARG 73 2HH1 ARG 73 7.563 -7.525 8.093 583 HH21 ARG 73 1HH2 ARG 73 6.853 -10.889 7.399 584 HH22 ARG 73 2HH2 ARG 73 8.080 -9.756 7.863 585 H VAL 74 H VAL 74 4.523 -5.228 6.294 586 HA VAL 74 HA VAL 74 4.737 -4.398 3.463 587 HB VAL 74 HB VAL 74 6.684 -3.782 5.747 588 HG11 VAL 74 1HG1 VAL 74 7.701 -2.164 4.159 589 HG12 VAL 74 2HG1 VAL 74 6.565 -2.662 2.905 590 HG13 VAL 74 3HG1 VAL 74 7.768 -3.805 3.508 591 HG21 VAL 74 3HG2 VAL 74 4.538 -2.644 6.132 592 HG22 VAL 74 1HG2 VAL 74 4.571 -1.982 4.494 593 HG23 VAL 74 2HG2 VAL 74 5.780 -1.476 5.676 594 H ILE 75 H ILE 75 5.969 -5.498 2.127 595 HA ILE 75 HA ILE 75 7.761 -7.659 3.042 596 HB ILE 75 HB ILE 75 6.238 -7.473 0.375 597 HG12 ILE 75 1HG1 ILE 75 5.159 -9.698 1.235 598 HG13 ILE 75 2HG1 ILE 75 5.742 -9.232 2.826 599 HG21 ILE 75 1HG2 ILE 75 8.126 -9.647 1.374 600 HG22 ILE 75 2HG2 ILE 75 8.433 -8.508 0.060 601 HG23 ILE 75 3HG2 ILE 75 7.170 -9.725 -0.109 602 HD11 ILE 75 3HD1 ILE 75 3.396 -8.690 2.524 603 HD12 ILE 75 1HD1 ILE 75 3.783 -7.683 1.129 604 HD13 ILE 75 2HD1 ILE 75 4.345 -7.220 2.737 605 H LEU 76 H LEU 76 9.866 -7.164 2.659 606 HA LEU 76 HA LEU 76 10.709 -4.796 1.436 607 HG LEU 76 HG LEU 76 11.500 -6.117 4.196 608 HB2 LEU 76 1HB LEU 76 12.272 -7.282 2.184 609 HB3 LEU 76 2HB LEU 76 13.029 -5.818 1.584 610 HD11 LEU 76 1HD1 LEU 76 13.651 -5.602 5.241 611 HD12 LEU 76 2HD1 LEU 76 14.418 -5.510 3.651 612 HD13 LEU 76 3HD1 LEU 76 13.763 -7.044 4.231 613 HD21 LEU 76 3HD2 LEU 76 12.070 -3.752 4.634 614 HD22 LEU 76 1HD2 LEU 76 10.989 -3.922 3.253 615 HD23 LEU 76 2HD2 LEU 76 12.706 -3.596 2.994 616 HA PRO 77 HA PRO 77 10.751 -6.053 -2.854 617 HB2 PRO 77 1HB PRO 77 11.867 -3.852 -3.940 618 HB3 PRO 77 2HB PRO 77 10.269 -3.806 -3.183 619 HG2 PRO 77 1HG PRO 77 12.923 -2.964 -2.051 620 HG3 PRO 77 2HG PRO 77 11.360 -2.126 -1.970 621 HD2 PRO 77 1HD PRO 77 12.386 -3.677 0.067 622 HD3 PRO 77 2HD PRO 77 10.651 -3.395 -0.168 623 H LYS 78 H LYS 78 12.253 -5.969 -4.769 624 HA LYS 78 HA LYS 78 14.520 -7.579 -4.369 625 HB2 LYS 78 1HB LYS 78 14.900 -7.125 -6.890 626 HB3 LYS 78 2HB LYS 78 13.396 -7.884 -6.409 627 HG2 LYS 78 1HG LYS 78 12.682 -6.353 -8.005 628 HG3 LYS 78 2HG LYS 78 12.375 -5.500 -6.498 629 HD2 LYS 78 1HD LYS 78 13.319 -3.949 -8.085 630 HD3 LYS 78 2HD LYS 78 14.525 -4.247 -6.829 631 HE2 LYS 78 1HE LYS 78 15.670 -5.854 -8.344 632 HE3 LYS 78 2HE LYS 78 14.469 -5.516 -9.592 633 HZ1 LYS 78 3HZ LYS 78 16.469 -3.638 -8.464 634 HZ2 LYS 78 1HZ LYS 78 15.208 -3.160 -9.487 635 HZ3 LYS 78 2HZ LYS 78 16.387 -4.242 -10.041 636 H GLU 79 H GLU 79 14.255 -4.107 -4.406 637 HA GLU 79 HA GLU 79 17.165 -3.912 -3.865 638 HB2 GLU 79 1HB GLU 79 17.117 -1.620 -4.899 639 HB3 GLU 79 2HB GLU 79 16.839 -2.926 -6.041 640 HG2 GLU 79 1HG GLU 79 14.368 -2.444 -5.873 641 HG3 GLU 79 2HG GLU 79 14.773 -1.023 -4.909 642 H ALA 80 H ALA 80 15.663 -4.506 -1.865 643 HA ALA 80 HA ALA 80 14.359 -2.520 -0.365 644 HB1 ALA 80 3HB ALA 80 15.883 -4.958 0.618 645 HB2 ALA 80 1HB ALA 80 14.193 -4.922 0.108 646 HB3 ALA 80 2HB ALA 80 14.696 -4.035 1.547 Start of MODEL 18 1 H MET 1 H MET 1 -11.079 -2.482 3.598 2 HA MET 1 HA MET 1 -9.123 -3.078 2.338 3 HB2 MET 1 1HB MET 1 -8.774 -0.714 4.235 4 HB3 MET 1 2HB MET 1 -7.812 -0.953 2.782 5 HG2 MET 1 1HG MET 1 -9.757 -0.665 1.384 6 HG3 MET 1 2HG MET 1 -10.818 -0.625 2.787 7 HE1 MET 1 3HE MET 1 -10.017 2.840 4.391 8 HE2 MET 1 1HE MET 1 -9.423 1.249 4.869 9 HE3 MET 1 2HE MET 1 -11.109 1.456 4.386 10 H SER 2 H SER 2 -7.304 -4.242 2.354 11 HA SER 2 HA SER 2 -5.603 -4.396 4.768 12 HG SER 2 HG SER 2 -6.930 -6.449 5.546 13 HB2 SER 2 1HB SER 2 -6.212 -6.669 2.807 14 HB3 SER 2 2HB SER 2 -5.139 -6.763 4.208 15 H ALA 3 H ALA 3 -3.652 -3.485 4.250 16 HA ALA 3 HA ALA 3 -3.137 -2.907 1.383 17 HB1 ALA 3 3HB ALA 3 -1.783 -1.020 2.200 18 HB2 ALA 3 1HB ALA 3 -2.118 -1.477 3.873 19 HB3 ALA 3 2HB ALA 3 -3.427 -0.928 2.824 20 H LYS 4 H LYS 4 -1.393 -3.803 0.474 21 HA LYS 4 HA LYS 4 0.650 -5.123 2.134 22 HB2 LYS 4 1HB LYS 4 1.102 -6.614 0.193 23 HB3 LYS 4 2HB LYS 4 -0.528 -6.806 0.816 24 HG2 LYS 4 1HG LYS 4 -1.412 -5.483 -1.059 25 HG3 LYS 4 2HG LYS 4 0.225 -5.262 -1.685 26 HD2 LYS 4 1HD LYS 4 0.437 -7.669 -2.095 27 HD3 LYS 4 2HD LYS 4 -1.127 -7.972 -1.333 28 HE2 LYS 4 1HE LYS 4 -0.682 -6.399 -3.898 29 HE3 LYS 4 2HE LYS 4 -1.306 -8.047 -3.783 30 HZ1 LYS 4 3HZ LYS 4 -3.098 -6.460 -4.065 31 HZ2 LYS 4 1HZ LYS 4 -2.616 -5.617 -2.683 32 HZ3 LYS 4 2HZ LYS 4 -3.207 -7.191 -2.542 33 H ILE 5 H ILE 5 2.583 -4.201 2.054 34 HA ILE 5 HA ILE 5 3.094 -2.104 0.011 35 HB ILE 5 HB ILE 5 4.530 -2.413 2.698 36 HG12 ILE 5 1HG1 ILE 5 3.350 -0.131 3.194 37 HG13 ILE 5 2HG1 ILE 5 2.244 -0.580 1.903 38 HG21 ILE 5 1HG2 ILE 5 5.552 -0.223 2.162 39 HG22 ILE 5 2HG2 ILE 5 4.715 -0.206 0.608 40 HG23 ILE 5 3HG2 ILE 5 5.940 -1.436 0.935 41 HD11 ILE 5 3HD1 ILE 5 1.545 -2.529 3.144 42 HD12 ILE 5 1HD1 ILE 5 1.357 -1.058 4.099 43 HD13 ILE 5 2HD1 ILE 5 2.706 -2.148 4.422 44 H TYR 6 H TYR 6 4.484 -2.709 -1.476 45 HA TYR 6 HA TYR 6 6.702 -4.514 -0.883 46 HD1 TYR 6 HD2 TYR 6 2.700 -5.020 -2.004 47 HD2 TYR 6 HD1 TYR 6 5.668 -5.270 -5.084 48 HE1 TYR 6 HE2 TYR 6 0.985 -4.611 -3.706 49 HE2 TYR 6 HE1 TYR 6 3.936 -4.857 -6.771 50 HH TYR 6 HH TYR 6 1.509 -5.108 -7.024 51 HB2 TYR 6 1HB TYR 6 6.195 -6.000 -2.812 52 HB3 TYR 6 2HB TYR 6 4.947 -6.094 -1.582 53 H ARG 7 H ARG 7 7.967 -4.722 -3.061 54 HA ARG 7 HA ARG 7 7.930 -2.219 -4.592 55 HE ARG 7 HE ARG 7 12.457 0.163 -4.992 56 HB2 ARG 7 1HB ARG 7 9.403 -1.922 -2.598 57 HB3 ARG 7 2HB ARG 7 10.353 -3.306 -3.115 58 HG2 ARG 7 1HG ARG 7 11.068 -2.064 -5.136 59 HG3 ARG 7 2HG ARG 7 10.083 -0.686 -4.629 60 HD2 ARG 7 1HD ARG 7 11.399 -0.465 -2.585 61 HD3 ARG 7 2HD ARG 7 12.349 -1.878 -3.026 62 HH11 ARG 7 1HH1 ARG 7 13.834 -0.828 -1.933 63 HH12 ARG 7 2HH1 ARG 7 15.279 0.098 -2.150 64 HH21 ARG 7 1HH2 ARG 7 14.301 1.444 -5.213 65 HH22 ARG 7 2HH2 ARG 7 15.530 1.389 -3.994 66 HA PRO 8 HA PRO 8 8.486 -5.844 -7.284 67 HB2 PRO 8 1HB PRO 8 7.552 -4.235 -9.540 68 HB3 PRO 8 2HB PRO 8 6.733 -5.567 -8.724 69 HG2 PRO 8 1HG PRO 8 5.937 -2.909 -8.600 70 HG3 PRO 8 2HG PRO 8 5.487 -4.157 -7.422 71 HD2 PRO 8 1HD PRO 8 7.575 -2.012 -7.226 72 HD3 PRO 8 2HD PRO 8 6.532 -2.699 -5.957 73 H ALA 9 H ALA 9 10.497 -6.298 -8.059 74 HA ALA 9 HA ALA 9 12.405 -4.385 -8.955 75 HB1 ALA 9 3HB ALA 9 13.709 -6.351 -9.698 76 HB2 ALA 9 1HB ALA 9 12.298 -7.386 -9.455 77 HB3 ALA 9 2HB ALA 9 13.061 -6.595 -8.076 78 H LYS 10 H LYS 10 9.857 -6.174 -10.479 79 HA LYS 10 HA LYS 10 10.632 -5.585 -13.223 80 HB2 LYS 10 1HB LYS 10 8.547 -6.931 -13.771 81 HB3 LYS 10 2HB LYS 10 9.791 -7.793 -12.890 82 HG2 LYS 10 1HG LYS 10 7.794 -8.516 -11.899 83 HG3 LYS 10 2HG LYS 10 8.418 -7.321 -10.768 84 HD2 LYS 10 1HD LYS 10 5.996 -7.101 -11.030 85 HD3 LYS 10 2HD LYS 10 6.810 -5.657 -11.638 86 HE2 LYS 10 1HE LYS 10 4.958 -6.364 -13.119 87 HE3 LYS 10 2HE LYS 10 6.511 -6.448 -13.950 88 HZ1 LYS 10 3HZ LYS 10 6.540 -8.839 -13.551 89 HZ2 LYS 10 1HZ LYS 10 5.154 -8.392 -14.410 90 HZ3 LYS 10 2HZ LYS 10 5.050 -8.752 -12.761 91 H THR 11 H THR 11 9.302 -3.586 -10.983 92 HA THR 11 HA THR 11 6.920 -2.645 -12.256 93 HB THR 11 HB THR 11 7.480 -2.225 -9.826 94 HG1 THR 11 HG1 THR 11 5.856 -1.043 -11.068 95 HG21 THR 11 3HG2 THR 11 9.217 0.032 -10.891 96 HG22 THR 11 1HG2 THR 11 9.814 -1.409 -10.065 97 HG23 THR 11 2HG2 THR 11 8.796 -0.256 -9.200 98 H ALA 12 H ALA 12 10.290 -1.953 -12.669 99 HA ALA 12 HA ALA 12 9.913 -0.573 -15.160 100 HB1 ALA 12 3HB ALA 12 11.092 1.510 -14.528 101 HB2 ALA 12 1HB ALA 12 11.133 0.985 -12.842 102 HB3 ALA 12 2HB ALA 12 9.590 1.334 -13.620 103 H MET 13 H MET 13 12.036 -0.133 -16.195 104 HA MET 13 HA MET 13 13.802 -2.334 -15.990 105 HB2 MET 13 1HB MET 13 15.191 -1.111 -17.693 106 HB3 MET 13 2HB MET 13 13.501 -1.239 -18.138 107 HG2 MET 13 1HG MET 13 13.131 1.096 -17.499 108 HG3 MET 13 2HG MET 13 14.812 1.236 -16.989 109 HE1 MET 13 3HE MET 13 13.503 0.627 -21.390 110 HE2 MET 13 1HE MET 13 12.369 0.773 -20.046 111 HE3 MET 13 2HE MET 13 13.402 -0.652 -20.182 112 H GLN 14 H GLN 14 15.051 -2.667 -14.273 113 HA GLN 14 HA GLN 14 15.989 -0.751 -12.434 114 HB2 GLN 14 1HB GLN 14 16.888 -3.600 -12.971 115 HB3 GLN 14 2HB GLN 14 17.413 -2.651 -11.582 116 HG2 GLN 14 1HG GLN 14 15.152 -2.546 -10.724 117 HG3 GLN 14 2HG GLN 14 14.517 -3.331 -12.168 118 HE21 GLN 14 2HE2 GLN 14 14.796 -5.563 -12.417 119 HE22 GLN 14 1HE2 GLN 14 15.318 -6.585 -11.129 120 H SER 15 H SER 15 17.318 0.835 -13.084 121 HA SER 15 HA SER 15 19.376 0.425 -15.134 122 HG SER 15 HG SER 15 20.381 3.292 -14.855 123 HB2 SER 15 1HB SER 15 17.745 2.325 -15.269 124 HB3 SER 15 2HB SER 15 18.410 2.982 -13.777 125 H GLY 16 H GLY 16 19.793 -0.723 -12.456 126 HA2 GLY 16 1HA GLY 16 21.458 -0.985 -10.910 127 HA3 GLY 16 2HA GLY 16 22.443 0.111 -11.868 128 H THR 17 H THR 17 19.317 0.900 -10.480 129 HA THR 17 HA THR 17 20.479 2.553 -8.364 130 HB THR 17 HB THR 17 20.407 4.128 -10.233 131 HG1 THR 17 HG1 THR 17 19.484 5.678 -9.091 132 HG21 THR 17 3HG2 THR 17 17.458 3.468 -10.514 133 HG22 THR 17 1HG2 THR 17 18.729 3.039 -11.664 134 HG23 THR 17 2HG2 THR 17 18.322 4.734 -11.389 135 H ALA 18 H ALA 18 18.905 3.289 -6.839 136 HA ALA 18 HA ALA 18 16.868 1.363 -6.204 137 HB1 ALA 18 3HB ALA 18 17.564 4.007 -4.880 138 HB2 ALA 18 1HB ALA 18 18.254 2.437 -4.468 139 HB3 ALA 18 2HB ALA 18 16.538 2.747 -4.187 140 H LYS 19 H LYS 19 16.946 4.518 -7.742 141 HA LYS 19 HA LYS 19 14.319 5.407 -7.232 142 HB2 LYS 19 1HB LYS 19 16.020 6.959 -8.016 143 HB3 LYS 19 2HB LYS 19 16.231 6.059 -9.510 144 HG2 LYS 19 1HG LYS 19 14.998 8.143 -9.888 145 HG3 LYS 19 2HG LYS 19 14.012 6.733 -10.277 146 HD2 LYS 19 1HD LYS 19 12.917 6.992 -7.995 147 HD3 LYS 19 2HD LYS 19 13.795 8.515 -7.817 148 HE2 LYS 19 1HE LYS 19 12.669 9.407 -9.816 149 HE3 LYS 19 2HE LYS 19 11.837 7.868 -10.047 150 HZ1 LYS 19 3HZ LYS 19 10.420 9.485 -8.993 151 HZ2 LYS 19 1HZ LYS 19 11.519 9.686 -7.728 152 HZ3 LYS 19 2HZ LYS 19 10.724 8.211 -7.924 153 H THR 20 H THR 20 15.568 3.277 -9.798 154 HA THR 20 HA THR 20 13.217 3.285 -11.435 155 HB THR 20 HB THR 20 14.315 1.173 -12.461 156 HG1 THR 20 HG1 THR 20 15.638 0.966 -10.363 157 HG21 THR 20 3HG2 THR 20 16.053 2.475 -13.601 158 HG22 THR 20 1HG2 THR 20 15.944 3.735 -12.369 159 HG23 THR 20 2HG2 THR 20 14.577 3.428 -13.443 160 H ASN 21 H ASN 21 13.718 1.881 -8.428 161 HA ASN 21 HA ASN 21 11.276 0.251 -8.777 162 HB2 ASN 21 1HB ASN 21 13.660 -0.410 -6.994 163 HB3 ASN 21 2HB ASN 21 12.106 -1.229 -6.907 164 HD21 ASN 21 2HD2 ASN 21 11.770 -1.247 -9.872 165 HD22 ASN 21 1HD2 ASN 21 12.864 -2.451 -10.442 166 H VAL 22 H VAL 22 9.751 1.480 -7.909 167 HA VAL 22 HA VAL 22 10.187 2.779 -5.276 168 HB VAL 22 HB VAL 22 8.161 4.111 -5.753 169 HG11 VAL 22 1HG1 VAL 22 10.323 5.025 -6.441 170 HG12 VAL 22 2HG1 VAL 22 9.079 5.514 -7.591 171 HG13 VAL 22 3HG1 VAL 22 10.205 4.216 -8.006 172 HG21 VAL 22 3HG2 VAL 22 7.053 4.036 -7.981 173 HG22 VAL 22 1HG2 VAL 22 6.905 2.497 -7.125 174 HG23 VAL 22 2HG2 VAL 22 8.072 2.667 -8.437 175 H TRP 23 H TRP 23 8.111 2.695 -3.894 176 HA TRP 23 HA TRP 23 7.483 -0.148 -3.532 177 HD1 TRP 23 HD1 TRP 23 9.985 2.462 -2.072 178 HE1 TRP 23 HE1 TRP 23 11.876 1.261 -0.822 179 HE3 TRP 23 HE3 TRP 23 7.342 -1.502 -0.213 180 HZ2 TRP 23 HZ2 TRP 23 12.223 -1.077 0.725 181 HZ3 TRP 23 HZ3 TRP 23 8.529 -3.190 1.129 182 HH2 TRP 23 HH2 TRP 23 10.923 -2.980 1.585 183 HB2 TRP 23 1HB TRP 23 7.228 2.250 -1.660 184 HB3 TRP 23 2HB TRP 23 6.660 0.632 -1.256 185 H VAL 24 H VAL 24 5.476 -0.860 -3.905 186 HA VAL 24 HA VAL 24 3.336 1.026 -4.632 187 HB VAL 24 HB VAL 24 3.534 -1.994 -5.081 188 HG11 VAL 24 1HG1 VAL 24 1.549 -1.749 -6.552 189 HG12 VAL 24 2HG1 VAL 24 1.415 -0.052 -6.090 190 HG13 VAL 24 3HG1 VAL 24 1.174 -1.317 -4.882 191 HG21 VAL 24 3HG2 VAL 24 3.876 -1.450 -7.466 192 HG22 VAL 24 1HG2 VAL 24 5.155 -0.747 -6.470 193 HG23 VAL 24 2HG2 VAL 24 3.854 0.274 -7.090 194 H LEU 25 H LEU 25 1.505 1.164 -3.489 195 HA LEU 25 HA LEU 25 1.034 -0.466 -1.076 196 HG LEU 25 HG LEU 25 -0.300 2.652 0.707 197 HB2 LEU 25 1HB LEU 25 1.407 2.053 -0.814 198 HB3 LEU 25 2HB LEU 25 -0.017 2.333 -1.788 199 HD11 LEU 25 1HD1 LEU 25 -2.492 1.650 0.896 200 HD12 LEU 25 2HD1 LEU 25 -2.157 0.571 -0.463 201 HD13 LEU 25 3HD1 LEU 25 -2.264 2.315 -0.719 202 HD21 LEU 25 3HD2 LEU 25 -0.535 0.711 2.162 203 HD22 LEU 25 1HD2 LEU 25 1.086 0.795 1.474 204 HD23 LEU 25 2HD2 LEU 25 -0.082 -0.365 0.836 205 H GLU 26 H GLU 26 -0.269 -2.061 -1.742 206 HA GLU 26 HA GLU 26 -2.421 -1.534 -3.710 207 HB2 GLU 26 1HB GLU 26 -0.223 -3.344 -3.830 208 HB3 GLU 26 2HB GLU 26 -1.553 -4.356 -3.320 209 HG2 GLU 26 1HG GLU 26 -1.454 -2.696 -5.839 210 HG3 GLU 26 2HG GLU 26 -1.188 -4.428 -5.742 211 H PHE 27 H PHE 27 -4.458 -1.777 -2.772 212 HA PHE 27 HA PHE 27 -4.713 -3.515 -0.396 213 HD1 PHE 27 HD1 PHE 27 -4.079 0.380 -1.631 214 HD2 PHE 27 HD2 PHE 27 -7.758 -0.406 0.413 215 HE1 PHE 27 HE1 PHE 27 -5.035 2.450 -2.542 216 HE2 PHE 27 HE2 PHE 27 -8.705 1.670 -0.510 217 HZ PHE 27 HZ PHE 27 -7.346 3.102 -1.985 218 HB2 PHE 27 1HB PHE 27 -5.865 -1.775 0.884 219 HB3 PHE 27 2HB PHE 27 -4.258 -1.226 0.433 220 H ASP 28 H ASP 28 -6.720 -4.340 0.020 221 HA ASP 28 HA ASP 28 -8.655 -4.709 -1.906 222 HB2 ASP 28 1HB ASP 28 -8.314 -6.050 0.181 223 HB3 ASP 28 2HB ASP 28 -8.972 -4.717 1.123 224 H ALA 29 H ALA 29 -9.287 -2.824 -2.905 225 HA ALA 29 HA ALA 29 -10.040 -0.422 -1.518 226 HB1 ALA 29 3HB ALA 29 -8.885 -0.395 -3.697 227 HB2 ALA 29 1HB ALA 29 -10.421 0.477 -3.758 228 HB3 ALA 29 2HB ALA 29 -10.293 -1.144 -4.450 229 H GLU 30 H GLU 30 -11.799 -0.981 -0.246 230 HA GLU 30 HA GLU 30 -14.280 -1.994 -1.336 231 HB2 GLU 30 1HB GLU 30 -15.174 -1.619 0.969 232 HB3 GLU 30 2HB GLU 30 -13.715 -2.599 0.948 233 HG2 GLU 30 1HG GLU 30 -12.387 -0.624 1.638 234 HG3 GLU 30 2HG GLU 30 -13.856 0.343 1.682 235 H VAL 31 H VAL 31 -14.003 -0.202 -3.001 236 HA VAL 31 HA VAL 31 -14.612 2.500 -2.411 237 HB VAL 31 HB VAL 31 -13.410 1.901 -4.451 238 HG11 VAL 31 1HG1 VAL 31 -15.928 0.494 -5.417 239 HG12 VAL 31 2HG1 VAL 31 -14.424 -0.286 -4.932 240 HG13 VAL 31 3HG1 VAL 31 -14.456 0.742 -6.365 241 HG21 VAL 31 3HG2 VAL 31 -14.677 4.007 -4.502 242 HG22 VAL 31 1HG2 VAL 31 -16.096 3.164 -5.128 243 HG23 VAL 31 2HG2 VAL 31 -14.634 3.281 -6.110 244 HA PRO 32 HA PRO 32 -19.147 1.855 -2.092 245 HB2 PRO 32 1HB PRO 32 -19.846 4.364 -1.388 246 HB3 PRO 32 2HB PRO 32 -19.046 3.278 -0.242 247 HG2 PRO 32 1HG PRO 32 -17.820 5.442 -1.959 248 HG3 PRO 32 2HG PRO 32 -17.593 5.161 -0.215 249 HD2 PRO 32 1HD PRO 32 -15.795 4.291 -2.064 250 HD3 PRO 32 2HD PRO 32 -16.125 3.371 -0.576 251 H ARG 33 H ARG 33 -19.961 1.558 -4.086 252 HA ARG 33 HA ARG 33 -19.728 3.631 -6.175 253 HE ARG 33 HE ARG 33 -20.271 -1.124 -6.971 254 HB2 ARG 33 1HB ARG 33 -20.849 0.842 -6.621 255 HB3 ARG 33 2HB ARG 33 -20.131 1.941 -7.788 256 HG2 ARG 33 1HG ARG 33 -18.323 0.561 -7.581 257 HG3 ARG 33 2HG ARG 33 -17.983 1.576 -6.164 258 HD2 ARG 33 1HD ARG 33 -17.802 -0.872 -5.696 259 HD3 ARG 33 2HD ARG 33 -19.001 -0.052 -4.685 260 HH11 ARG 33 1HH1 ARG 33 -18.767 -2.274 -4.011 261 HH12 ARG 33 2HH1 ARG 33 -19.802 -3.658 -3.892 262 HH21 ARG 33 1HH2 ARG 33 -21.615 -2.930 -6.778 263 HH22 ARG 33 2HH2 ARG 33 -21.410 -4.025 -5.453 264 H LYS 34 H LYS 34 -22.030 1.616 -4.444 265 HA LYS 34 HA LYS 34 -24.191 1.767 -3.879 266 HB2 LYS 34 1HB LYS 34 -23.907 4.736 -4.517 267 HB3 LYS 34 2HB LYS 34 -25.183 4.011 -3.544 268 HG2 LYS 34 1HG LYS 34 -22.226 4.091 -2.847 269 HG3 LYS 34 2HG LYS 34 -23.483 5.106 -2.136 270 HD2 LYS 34 1HD LYS 34 -23.290 2.074 -1.891 271 HD3 LYS 34 2HD LYS 34 -22.830 3.239 -0.649 272 HE2 LYS 34 1HE LYS 34 -25.639 2.830 -1.741 273 HE3 LYS 34 2HE LYS 34 -25.042 2.283 -0.174 274 HZ1 LYS 34 3HZ LYS 34 -24.692 4.564 0.474 275 HZ2 LYS 34 1HZ LYS 34 -26.301 4.339 0.011 276 HZ3 LYS 34 2HZ LYS 34 -25.224 5.124 -1.029 277 H ILE 35 H ILE 35 -25.073 0.473 -5.473 278 HA ILE 35 HA ILE 35 -25.299 1.216 -8.177 279 HB ILE 35 HB ILE 35 -26.801 -0.839 -8.418 280 HG12 ILE 35 1HG1 ILE 35 -26.507 -2.429 -6.252 281 HG13 ILE 35 2HG1 ILE 35 -26.459 -0.897 -5.397 282 HG21 ILE 35 1HG2 ILE 35 -24.385 -0.918 -8.816 283 HG22 ILE 35 2HG2 ILE 35 -24.922 -2.419 -8.062 284 HG23 ILE 35 3HG2 ILE 35 -24.079 -1.205 -7.099 285 HD11 ILE 35 3HD1 ILE 35 -28.670 -1.884 -5.354 286 HD12 ILE 35 1HD1 ILE 35 -28.731 -1.892 -7.118 287 HD13 ILE 35 2HD1 ILE 35 -28.691 -0.361 -6.239 288 H ASP 36 H ASP 36 -26.843 2.085 -9.381 289 HA ASP 36 HA ASP 36 -29.176 3.345 -8.037 290 HB2 ASP 36 1HB ASP 36 -27.245 4.896 -8.596 291 HB3 ASP 36 2HB ASP 36 -27.417 4.473 -10.287 292 HA PRO 37 HA PRO 37 -31.961 1.489 -11.186 293 HB2 PRO 37 1HB PRO 37 -33.156 4.027 -11.935 294 HB3 PRO 37 2HB PRO 37 -33.819 2.793 -10.860 295 HG2 PRO 37 1HG PRO 37 -32.263 5.258 -10.196 296 HG3 PRO 37 2HG PRO 37 -33.541 4.452 -9.263 297 HD2 PRO 37 1HD PRO 37 -31.007 4.256 -8.477 298 HD3 PRO 37 2HD PRO 37 -32.050 2.815 -8.415 299 H ILE 38 H ILE 38 -30.135 4.450 -12.041 300 HA ILE 38 HA ILE 38 -30.400 4.134 -14.894 301 HB ILE 38 HB ILE 38 -28.389 5.841 -13.365 302 HG12 ILE 38 1HG1 ILE 38 -30.667 6.411 -12.660 303 HG13 ILE 38 2HG1 ILE 38 -30.004 7.716 -13.636 304 HG21 ILE 38 1HG2 ILE 38 -27.723 5.591 -15.703 305 HG22 ILE 38 2HG2 ILE 38 -28.296 7.236 -15.427 306 HG23 ILE 38 3HG2 ILE 38 -29.333 6.067 -16.248 307 HD11 ILE 38 3HD1 ILE 38 -32.335 7.324 -14.154 308 HD12 ILE 38 1HD1 ILE 38 -31.995 5.644 -14.560 309 HD13 ILE 38 2HD1 ILE 38 -31.333 6.945 -15.555 310 H MET 39 H MET 39 -28.003 3.137 -12.482 311 HA MET 39 HA MET 39 -25.980 2.183 -14.221 312 HB2 MET 39 1HB MET 39 -26.762 1.167 -11.448 313 HB3 MET 39 2HB MET 39 -25.326 0.648 -12.321 314 HG2 MET 39 1HG MET 39 -24.502 2.988 -12.301 315 HG3 MET 39 2HG MET 39 -25.909 3.443 -11.333 316 HE1 MET 39 3HE MET 39 -23.021 3.604 -8.684 317 HE2 MET 39 1HE MET 39 -24.377 4.465 -9.414 318 HE3 MET 39 2HE MET 39 -22.949 4.090 -10.379 319 H GLY 40 H GLY 40 -28.707 0.439 -12.696 320 HA2 GLY 40 1HA GLY 40 -30.203 -1.021 -13.659 321 HA3 GLY 40 2HA GLY 40 -29.327 -0.921 -15.171 322 H TYR 41 H TYR 41 -26.786 -1.825 -13.778 323 HA TYR 41 HA TYR 41 -27.214 -4.622 -14.450 324 HD1 TYR 41 HD1 TYR 41 -25.204 -1.217 -13.445 325 HD2 TYR 41 HD2 TYR 41 -22.780 -4.732 -13.658 326 HE1 TYR 41 HE1 TYR 41 -23.478 -0.119 -12.085 327 HE2 TYR 41 HE2 TYR 41 -21.061 -3.632 -12.300 328 HH TYR 41 HH TYR 41 -20.324 -1.418 -11.712 329 HB2 TYR 41 1HB TYR 41 -24.837 -4.752 -14.771 330 HB3 TYR 41 2HB TYR 41 -25.330 -3.201 -15.422 331 H THR 42 H THR 42 -28.498 -4.271 -12.116 332 HA THR 42 HA THR 42 -27.057 -4.356 -9.700 333 HB THR 42 HB THR 42 -29.860 -5.491 -10.154 334 HG1 THR 42 HG1 THR 42 -29.139 -2.764 -9.694 335 HG21 THR 42 3HG2 THR 42 -30.306 -4.657 -7.868 336 HG22 THR 42 1HG2 THR 42 -28.636 -4.090 -7.737 337 HG23 THR 42 2HG2 THR 42 -28.979 -5.817 -7.857 338 H SER 43 H SER 43 -27.936 -6.934 -11.955 339 HA SER 43 HA SER 43 -27.357 -9.140 -10.189 340 HG SER 43 HG SER 43 -28.472 -8.654 -13.903 341 HB2 SER 43 1HB SER 43 -27.386 -10.496 -12.328 342 HB3 SER 43 2HB SER 43 -28.841 -9.536 -12.059 343 H SER 44 H SER 44 -25.506 -7.352 -12.664 344 HA SER 44 HA SER 44 -23.120 -9.012 -12.246 345 HG SER 44 HG SER 44 -24.004 -9.588 -14.325 346 HB2 SER 44 1HB SER 44 -23.629 -6.798 -14.274 347 HB3 SER 44 2HB SER 44 -22.214 -7.856 -14.241 348 H SER 45 H SER 45 -24.304 -6.601 -10.545 349 HA SER 45 HA SER 45 -22.075 -4.836 -10.253 350 HG SER 45 HG SER 45 -24.281 -6.486 -8.172 351 HB2 SER 45 1HB SER 45 -23.279 -4.074 -8.218 352 HB3 SER 45 2HB SER 45 -24.345 -4.172 -9.618 353 H ASP 46 H ASP 46 -20.215 -5.974 -9.937 354 HA ASP 46 HA ASP 46 -19.993 -8.268 -8.212 355 HB2 ASP 46 1HB ASP 46 -17.641 -8.310 -8.957 356 HB3 ASP 46 2HB ASP 46 -18.723 -8.107 -10.325 357 H MET 47 H MET 47 -18.035 -8.348 -6.724 358 HA MET 47 HA MET 47 -18.480 -6.561 -4.537 359 HB2 MET 47 1HB MET 47 -16.783 -7.909 -3.361 360 HB3 MET 47 2HB MET 47 -17.936 -8.952 -4.178 361 HG2 MET 47 1HG MET 47 -16.295 -9.374 -5.968 362 HG3 MET 47 2HG MET 47 -15.150 -8.291 -5.176 363 HE1 MET 47 3HE MET 47 -16.514 -12.342 -3.373 364 HE2 MET 47 1HE MET 47 -17.061 -11.736 -4.937 365 HE3 MET 47 2HE MET 47 -17.583 -10.942 -3.450 366 H LYS 48 H LYS 48 -16.404 -5.755 -3.344 367 HA LYS 48 HA LYS 48 -15.191 -3.634 -4.679 368 HB2 LYS 48 1HB LYS 48 -13.827 -3.326 -2.726 369 HB3 LYS 48 2HB LYS 48 -15.392 -3.889 -2.177 370 HG2 LYS 48 1HG LYS 48 -12.936 -5.656 -2.434 371 HG3 LYS 48 2HG LYS 48 -13.428 -4.853 -0.942 372 HD2 LYS 48 1HD LYS 48 -15.503 -6.140 -0.884 373 HD3 LYS 48 2HD LYS 48 -15.137 -6.860 -2.458 374 HE2 LYS 48 1HE LYS 48 -13.528 -7.263 0.090 375 HE3 LYS 48 2HE LYS 48 -14.653 -8.422 -0.621 376 HZ1 LYS 48 3HZ LYS 48 -13.220 -8.430 -2.633 377 HZ2 LYS 48 1HZ LYS 48 -12.446 -9.016 -1.248 378 HZ3 LYS 48 2HZ LYS 48 -12.100 -7.465 -1.806 379 H GLN 49 H GLN 49 -13.195 -3.281 -5.566 380 HA GLN 49 HA GLN 49 -11.629 -5.621 -6.454 381 HB2 GLN 49 1HB GLN 49 -10.666 -4.080 -8.147 382 HB3 GLN 49 2HB GLN 49 -12.419 -4.175 -8.258 383 HG2 GLN 49 1HG GLN 49 -12.644 -2.007 -7.153 384 HG3 GLN 49 2HG GLN 49 -10.892 -1.913 -6.938 385 HE21 GLN 49 2HE2 GLN 49 -10.816 0.044 -8.130 386 HE22 GLN 49 1HE2 GLN 49 -10.982 0.075 -9.848 387 H GLN 50 H GLN 50 -9.186 -4.378 -6.943 388 HA GLN 50 HA GLN 50 -8.286 -3.195 -4.413 389 HB2 GLN 50 1HB GLN 50 -6.385 -4.697 -4.223 390 HB3 GLN 50 2HB GLN 50 -7.862 -5.640 -4.253 391 HG2 GLN 50 1HG GLN 50 -5.937 -5.325 -6.580 392 HG3 GLN 50 2HG GLN 50 -6.014 -6.707 -5.494 393 HE21 GLN 50 2HE2 GLN 50 -7.531 -5.074 -8.162 394 HE22 GLN 50 1HE2 GLN 50 -8.599 -6.359 -8.607 395 H VAL 51 H VAL 51 -7.337 -1.283 -4.898 396 HA VAL 51 HA VAL 51 -6.068 -0.902 -7.518 397 HB VAL 51 HB VAL 51 -6.417 1.506 -7.197 398 HG11 VAL 51 1HG1 VAL 51 -8.213 0.242 -8.288 399 HG12 VAL 51 2HG1 VAL 51 -8.877 1.592 -7.368 400 HG13 VAL 51 3HG1 VAL 51 -8.987 -0.049 -6.727 401 HG21 VAL 51 3HG2 VAL 51 -7.731 0.813 -4.541 402 HG22 VAL 51 1HG2 VAL 51 -7.716 2.413 -5.288 403 HG23 VAL 51 2HG2 VAL 51 -6.206 1.672 -4.757 404 H LYS 52 H LYS 52 -4.310 0.916 -7.379 405 HA LYS 52 HA LYS 52 -2.456 0.260 -5.198 406 HB2 LYS 52 1HB LYS 52 -0.617 -0.120 -6.878 407 HB3 LYS 52 2HB LYS 52 -1.854 -1.359 -6.810 408 HG2 LYS 52 1HG LYS 52 -2.862 -0.550 -8.870 409 HG3 LYS 52 2HG LYS 52 -1.719 0.794 -8.932 410 HD2 LYS 52 1HD LYS 52 -1.110 -1.086 -10.468 411 HD3 LYS 52 2HD LYS 52 0.147 -0.725 -9.284 412 HE2 LYS 52 1HE LYS 52 -0.186 -3.166 -9.594 413 HE3 LYS 52 2HE LYS 52 -0.518 -2.662 -7.938 414 HZ1 LYS 52 3HZ LYS 52 -2.152 -4.231 -8.820 415 HZ2 LYS 52 1HZ LYS 52 -2.582 -3.120 -10.018 416 HZ3 LYS 52 2HZ LYS 52 -2.863 -2.760 -8.386 417 H LEU 53 H LEU 53 -1.005 1.699 -4.710 418 HA LEU 53 HA LEU 53 -0.918 4.362 -6.006 419 HG LEU 53 HG LEU 53 -2.948 3.478 -3.669 420 HB2 LEU 53 1HB LEU 53 -0.498 3.661 -3.059 421 HB3 LEU 53 2HB LEU 53 -0.488 5.278 -3.750 422 HD11 LEU 53 1HD1 LEU 53 -3.748 4.860 -1.824 423 HD12 LEU 53 2HD1 LEU 53 -2.231 5.764 -1.812 424 HD13 LEU 53 3HD1 LEU 53 -2.242 4.048 -1.398 425 HD21 LEU 53 3HD2 LEU 53 -2.702 6.438 -4.289 426 HD22 LEU 53 1HD2 LEU 53 -4.203 5.517 -4.196 427 HD23 LEU 53 2HD2 LEU 53 -3.030 5.157 -5.461 428 H THR 54 H THR 54 1.277 5.284 -6.051 429 HA THR 54 HA THR 54 3.468 3.413 -5.339 430 HB THR 54 HB THR 54 4.776 4.683 -7.205 431 HG1 THR 54 HG1 THR 54 2.122 5.175 -8.124 432 HG21 THR 54 3HG2 THR 54 4.098 2.307 -7.423 433 HG22 THR 54 1HG2 THR 54 3.978 3.158 -8.966 434 HG23 THR 54 2HG2 THR 54 2.520 2.813 -8.034 435 H PHE 55 H PHE 55 4.915 4.133 -4.021 436 HA PHE 55 HA PHE 55 5.294 6.985 -3.380 437 HD1 PHE 55 HD2 PHE 55 3.995 8.087 -0.830 438 HD2 PHE 55 HD1 PHE 55 2.815 4.081 -1.769 439 HE1 PHE 55 HE2 PHE 55 1.659 8.649 -0.322 440 HE2 PHE 55 HE1 PHE 55 0.481 4.657 -1.252 441 HZ PHE 55 HZ PHE 55 -0.103 6.939 -0.531 442 HB2 PHE 55 1HB PHE 55 5.193 4.646 -1.408 443 HB3 PHE 55 2HB PHE 55 5.670 6.285 -0.987 444 H GLU 56 H GLU 56 7.455 7.479 -2.678 445 HA GLU 56 HA GLU 56 9.505 6.125 -4.114 446 HB2 GLU 56 1HB GLU 56 9.673 8.267 -1.958 447 HB3 GLU 56 2HB GLU 56 11.039 7.742 -2.933 448 HG2 GLU 56 1HG GLU 56 8.510 8.985 -4.068 449 HG3 GLU 56 2HG GLU 56 9.979 9.880 -3.696 450 H THR 57 H THR 57 8.398 5.908 -0.781 451 HA THR 57 HA THR 57 10.417 3.844 -0.164 452 HB THR 57 HB THR 57 10.602 4.800 2.187 453 HG1 THR 57 HG1 THR 57 9.975 7.104 2.302 454 HG21 THR 57 3HG2 THR 57 12.199 6.604 1.615 455 HG22 THR 57 1HG2 THR 57 11.573 6.655 -0.035 456 HG23 THR 57 2HG2 THR 57 12.418 5.218 0.547 457 H GLN 58 H GLN 58 9.833 2.408 1.548 458 HA GLN 58 HA GLN 58 7.234 1.461 1.706 459 HB2 GLN 58 1HB GLN 58 9.163 0.079 2.334 460 HB3 GLN 58 2HB GLN 58 9.535 1.141 3.686 461 HG2 GLN 58 1HG GLN 58 7.389 0.473 4.764 462 HG3 GLN 58 2HG GLN 58 7.084 -0.632 3.426 463 HE21 GLN 58 2HE2 GLN 58 7.472 -1.057 6.346 464 HE22 GLN 58 1HE2 GLN 58 8.708 -2.257 6.466 465 H GLU 59 H GLU 59 8.981 3.567 3.939 466 HA GLU 59 HA GLU 59 7.242 3.834 6.037 467 HB2 GLU 59 1HB GLU 59 9.039 5.998 4.864 468 HB3 GLU 59 2HB GLU 59 8.311 6.059 6.470 469 HG2 GLU 59 1HG GLU 59 9.520 3.960 7.050 470 HG3 GLU 59 2HG GLU 59 10.313 4.014 5.479 471 H GLN 60 H GLN 60 7.109 5.623 2.971 472 HA GLN 60 HA GLN 60 5.047 7.452 3.774 473 HB2 GLN 60 1HB GLN 60 6.096 6.704 1.016 474 HB3 GLN 60 2HB GLN 60 4.944 8.005 1.320 475 HG2 GLN 60 1HG GLN 60 6.643 9.139 2.747 476 HG3 GLN 60 2HG GLN 60 7.797 7.864 2.344 477 HE21 GLN 60 2HE2 GLN 60 8.604 7.748 0.195 478 HE22 GLN 60 1HE2 GLN 60 8.498 9.106 -0.870 479 H ALA 61 H ALA 61 5.030 4.221 2.317 480 HA ALA 61 HA ALA 61 2.278 4.327 1.417 481 HB1 ALA 61 3HB ALA 61 4.243 2.010 1.603 482 HB2 ALA 61 1HB ALA 61 3.972 3.029 0.187 483 HB3 ALA 61 2HB ALA 61 2.684 1.975 0.772 484 H GLU 62 H GLU 62 4.123 2.872 4.043 485 HA GLU 62 HA GLU 62 1.915 1.489 5.209 486 HB2 GLU 62 1HB GLU 62 3.386 0.886 7.038 487 HB3 GLU 62 2HB GLU 62 4.228 0.677 5.509 488 HG2 GLU 62 1HG GLU 62 5.563 2.626 5.877 489 HG3 GLU 62 2HG GLU 62 4.579 3.124 7.252 490 H ALA 63 H ALA 63 3.547 4.576 5.997 491 HA ALA 63 HA ALA 63 2.035 5.187 8.308 492 HB1 ALA 63 3HB ALA 63 2.898 7.475 8.063 493 HB2 ALA 63 1HB ALA 63 3.429 7.113 6.416 494 HB3 ALA 63 2HB ALA 63 4.179 6.293 7.786 495 H TYR 64 H TYR 64 1.358 5.580 4.892 496 HA TYR 64 HA TYR 64 -0.898 7.300 5.084 497 HD1 TYR 64 HD2 TYR 64 -2.248 8.332 3.278 498 HD2 TYR 64 HD1 TYR 64 -1.930 4.401 1.614 499 HE1 TYR 64 HE2 TYR 64 -4.435 8.604 2.198 500 HE2 TYR 64 HE1 TYR 64 -4.121 4.677 0.558 501 HH TYR 64 HH TYR 64 -6.143 5.992 0.801 502 HB2 TYR 64 1HB TYR 64 0.120 6.925 2.893 503 HB3 TYR 64 2HB TYR 64 -0.161 5.189 3.002 504 H ALA 65 H ALA 65 -0.619 3.746 4.871 505 HA ALA 65 HA ALA 65 -3.253 2.991 5.303 506 HB1 ALA 65 3HB ALA 65 -1.480 1.436 4.582 507 HB2 ALA 65 1HB ALA 65 -2.333 0.804 5.996 508 HB3 ALA 65 2HB ALA 65 -0.735 1.532 6.178 509 H GLN 66 H GLN 66 -0.702 3.584 7.718 510 HA GLN 66 HA GLN 66 -2.028 2.905 10.086 511 HB2 GLN 66 1HB GLN 66 0.177 4.948 9.589 512 HB3 GLN 66 2HB GLN 66 -0.356 4.473 11.200 513 HG2 GLN 66 1HG GLN 66 0.403 2.205 10.840 514 HG3 GLN 66 2HG GLN 66 0.805 2.563 9.160 515 HE21 GLN 66 2HE2 GLN 66 2.975 2.027 9.398 516 HE22 GLN 66 1HE2 GLN 66 4.090 2.982 10.305 517 H ARG 67 H ARG 67 -1.707 6.030 8.448 518 HA ARG 67 HA ARG 67 -3.031 7.724 10.235 519 HE ARG 67 HE ARG 67 -0.725 9.651 6.661 520 HB2 ARG 67 1HB ARG 67 -1.557 8.290 8.230 521 HB3 ARG 67 2HB ARG 67 -2.946 7.974 7.201 522 HG2 ARG 67 1HG ARG 67 -4.163 9.842 8.270 523 HG3 ARG 67 2HG ARG 67 -2.781 10.135 9.332 524 HD2 ARG 67 1HD ARG 67 -2.924 10.504 6.325 525 HD3 ARG 67 2HD ARG 67 -2.626 11.736 7.553 526 HH11 ARG 67 1HH1 ARG 67 -1.255 12.644 8.426 527 HH12 ARG 67 2HH1 ARG 67 0.433 12.994 8.569 528 HH21 ARG 67 1HH2 ARG 67 1.489 10.119 6.875 529 HH22 ARG 67 2HH2 ARG 67 1.989 11.573 7.675 530 H LYS 68 H LYS 68 -4.253 5.613 7.728 531 HA LYS 68 HA LYS 68 -7.021 6.583 7.977 532 HB2 LYS 68 1HB LYS 68 -5.808 4.493 6.118 533 HB3 LYS 68 2HB LYS 68 -7.464 5.090 6.046 534 HG2 LYS 68 1HG LYS 68 -4.960 6.739 5.557 535 HG3 LYS 68 2HG LYS 68 -6.049 6.114 4.316 536 HD2 LYS 68 1HD LYS 68 -7.882 7.516 5.210 537 HD3 LYS 68 2HD LYS 68 -6.813 8.120 6.479 538 HE2 LYS 68 1HE LYS 68 -5.387 9.197 4.803 539 HE3 LYS 68 2HE LYS 68 -6.369 8.522 3.500 540 HZ1 LYS 68 3HZ LYS 68 -7.295 10.456 5.555 541 HZ2 LYS 68 1HZ LYS 68 -8.248 9.806 4.316 542 HZ3 LYS 68 2HZ LYS 68 -6.943 10.811 3.941 543 H GLY 69 H GLY 69 -5.012 4.172 9.365 544 HA2 GLY 69 1HA GLY 69 -5.610 2.741 11.101 545 HA3 GLY 69 2HA GLY 69 -7.301 2.831 10.621 546 H ILE 70 H ILE 70 -5.764 2.397 7.833 547 HA ILE 70 HA ILE 70 -6.716 -0.171 7.297 548 HB ILE 70 HB ILE 70 -4.403 1.175 5.823 549 HG12 ILE 70 1HG1 ILE 70 -7.398 1.318 5.224 550 HG13 ILE 70 2HG1 ILE 70 -6.439 2.620 5.922 551 HG21 ILE 70 1HG2 ILE 70 -5.048 -0.232 3.890 552 HG22 ILE 70 2HG2 ILE 70 -6.274 -1.031 4.877 553 HG23 ILE 70 3HG2 ILE 70 -4.565 -1.216 5.273 554 HD11 ILE 70 3HD1 ILE 70 -6.829 3.027 3.577 555 HD12 ILE 70 1HD1 ILE 70 -6.128 1.468 3.145 556 HD13 ILE 70 2HD1 ILE 70 -5.112 2.732 3.844 557 H GLU 71 H GLU 71 -6.166 -1.961 8.245 558 HA GLU 71 HA GLU 71 -3.716 -2.709 9.427 559 HB2 GLU 71 1HB GLU 71 -4.474 -5.083 9.070 560 HB3 GLU 71 2HB GLU 71 -5.665 -4.075 9.888 561 HG2 GLU 71 1HG GLU 71 -7.046 -3.954 7.940 562 HG3 GLU 71 2HG GLU 71 -5.773 -4.589 6.900 563 H TYR 72 H TYR 72 -1.748 -3.508 8.514 564 HA TYR 72 HA TYR 72 -1.681 -4.056 5.641 565 HD1 TYR 72 HD2 TYR 72 2.243 -2.720 6.292 566 HD2 TYR 72 HD1 TYR 72 -0.907 -0.642 8.299 567 HE1 TYR 72 HE2 TYR 72 3.870 -1.812 7.879 568 HE2 TYR 72 HE1 TYR 72 0.729 0.264 9.899 569 HH TYR 72 HH TYR 72 4.133 0.038 9.373 570 HB2 TYR 72 1HB TYR 72 0.028 -2.419 5.198 571 HB3 TYR 72 2HB TYR 72 -1.267 -1.582 6.026 572 H ARG 73 H ARG 73 -0.002 -5.362 4.998 573 HA ARG 73 HA ARG 73 2.102 -6.130 6.937 574 HE ARG 73 HE ARG 73 3.561 -10.432 8.004 575 HB2 ARG 73 1HB ARG 73 0.068 -7.853 6.344 576 HB3 ARG 73 2HB ARG 73 1.104 -8.204 4.975 577 HG2 ARG 73 1HG ARG 73 1.964 -8.415 7.879 578 HG3 ARG 73 2HG ARG 73 1.368 -9.764 6.918 579 HD2 ARG 73 1HD ARG 73 3.292 -9.578 5.419 580 HD3 ARG 73 2HD ARG 73 3.862 -8.148 6.286 581 HH11 ARG 73 1HH1 ARG 73 5.779 -8.949 5.729 582 HH12 ARG 73 2HH1 ARG 73 7.179 -9.693 6.413 583 HH21 ARG 73 1HH2 ARG 73 5.433 -11.388 8.927 584 HH22 ARG 73 2HH2 ARG 73 6.986 -11.072 8.224 585 H VAL 74 H VAL 74 4.180 -6.361 5.970 586 HA VAL 74 HA VAL 74 4.390 -5.159 3.265 587 HB VAL 74 HB VAL 74 6.601 -4.334 3.857 588 HG11 VAL 74 1HG1 VAL 74 6.042 -2.722 5.638 589 HG12 VAL 74 2HG1 VAL 74 4.653 -3.706 6.107 590 HG13 VAL 74 3HG1 VAL 74 4.690 -2.932 4.522 591 HG21 VAL 74 3HG2 VAL 74 7.435 -6.182 5.241 592 HG22 VAL 74 1HG2 VAL 74 6.325 -5.745 6.540 593 HG23 VAL 74 2HG2 VAL 74 7.636 -4.650 6.092 594 H ILE 75 H ILE 75 5.454 -6.136 1.664 595 HA ILE 75 HA ILE 75 6.845 -8.702 2.054 596 HB ILE 75 HB ILE 75 5.760 -7.509 -0.555 597 HG12 ILE 75 1HG1 ILE 75 4.119 -9.542 -0.438 598 HG13 ILE 75 2HG1 ILE 75 4.518 -9.609 1.272 599 HG21 ILE 75 1HG2 ILE 75 7.716 -8.931 -0.940 600 HG22 ILE 75 2HG2 ILE 75 6.267 -9.713 -1.571 601 HG23 ILE 75 3HG2 ILE 75 6.968 -10.256 -0.045 602 HD11 ILE 75 3HD1 ILE 75 2.422 -8.448 0.876 603 HD12 ILE 75 1HD1 ILE 75 3.237 -7.275 -0.161 604 HD13 ILE 75 2HD1 ILE 75 3.615 -7.347 1.562 605 H LEU 76 H LEU 76 9.034 -8.545 1.952 606 HA LEU 76 HA LEU 76 10.341 -6.081 1.269 607 HG LEU 76 HG LEU 76 10.386 -7.833 4.010 608 HB2 LEU 76 1HB LEU 76 11.464 -8.794 2.059 609 HB3 LEU 76 2HB LEU 76 12.444 -7.357 1.819 610 HD11 LEU 76 1HD1 LEU 76 12.557 -8.876 4.403 611 HD12 LEU 76 2HD1 LEU 76 12.289 -7.551 5.530 612 HD13 LEU 76 3HD1 LEU 76 13.375 -7.330 4.153 613 HD21 LEU 76 3HD2 LEU 76 10.120 -5.524 3.272 614 HD22 LEU 76 1HD2 LEU 76 11.859 -5.244 3.412 615 HD23 LEU 76 2HD2 LEU 76 10.892 -5.569 4.854 616 HA PRO 77 HA PRO 77 11.155 -7.000 -3.038 617 HB2 PRO 77 1HB PRO 77 13.005 -5.092 -3.590 618 HB3 PRO 77 2HB PRO 77 11.322 -4.703 -3.243 619 HG2 PRO 77 1HG PRO 77 13.697 -4.530 -1.425 620 HG3 PRO 77 2HG PRO 77 12.358 -3.385 -1.623 621 HD2 PRO 77 1HD PRO 77 12.506 -5.241 0.418 622 HD3 PRO 77 2HD PRO 77 10.984 -4.561 -0.184 623 H LYS 78 H LYS 78 13.319 -7.011 -4.515 624 HA LYS 78 HA LYS 78 14.631 -9.412 -3.810 625 HB2 LYS 78 1HB LYS 78 15.472 -9.448 -5.971 626 HB3 LYS 78 2HB LYS 78 14.130 -8.347 -6.198 627 HG2 LYS 78 1HG LYS 78 17.009 -7.474 -5.806 628 HG3 LYS 78 2HG LYS 78 16.254 -7.712 -7.377 629 HD2 LYS 78 1HD LYS 78 14.752 -5.845 -7.026 630 HD3 LYS 78 2HD LYS 78 15.235 -5.698 -5.329 631 HE2 LYS 78 1HE LYS 78 17.472 -4.991 -5.974 632 HE3 LYS 78 2HE LYS 78 17.135 -5.316 -7.674 633 HZ1 LYS 78 3HZ LYS 78 15.810 -3.238 -6.028 634 HZ2 LYS 78 1HZ LYS 78 15.523 -3.548 -7.666 635 HZ3 LYS 78 2HZ LYS 78 17.030 -2.976 -7.165 636 H GLU 79 H GLU 79 15.580 -6.039 -3.580 637 HA GLU 79 HA GLU 79 18.271 -6.589 -2.636 638 HB2 GLU 79 1HB GLU 79 18.371 -4.071 -2.299 639 HB3 GLU 79 2HB GLU 79 18.029 -4.577 -3.948 640 HG2 GLU 79 1HG GLU 79 15.638 -4.075 -3.612 641 HG3 GLU 79 2HG GLU 79 15.970 -3.568 -1.959 642 H ALA 80 H ALA 80 15.295 -5.172 -1.272 643 HA ALA 80 HA ALA 80 14.373 -4.998 0.748 644 HB1 ALA 80 3HB ALA 80 14.360 -7.427 0.640 645 HB2 ALA 80 1HB ALA 80 14.582 -6.882 2.306 646 HB3 ALA 80 2HB ALA 80 15.962 -7.494 1.386 Start of MODEL 19 1 H MET 1 H MET 1 -10.046 -4.711 7.671 2 HA MET 1 HA MET 1 -9.827 -4.294 5.324 3 HB2 MET 1 1HB MET 1 -9.035 -1.472 6.175 4 HB3 MET 1 2HB MET 1 -8.935 -2.113 4.535 5 HG2 MET 1 1HG MET 1 -10.892 -0.708 4.737 6 HG3 MET 1 2HG MET 1 -11.404 -2.382 4.513 7 HE1 MET 1 3HE MET 1 -13.428 -0.095 5.600 8 HE2 MET 1 1HE MET 1 -14.223 -0.983 6.900 9 HE3 MET 1 2HE MET 1 -13.892 -1.783 5.363 10 H SER 2 H SER 2 -7.718 -4.544 4.355 11 HA SER 2 HA SER 2 -5.464 -4.848 6.187 12 HG SER 2 HG SER 2 -4.643 -7.785 4.898 13 HB2 SER 2 1HB SER 2 -6.776 -6.952 6.475 14 HB3 SER 2 2HB SER 2 -6.704 -7.239 4.734 15 H ALA 3 H ALA 3 -3.427 -5.463 4.855 16 HA ALA 3 HA ALA 3 -3.649 -5.038 1.953 17 HB1 ALA 3 3HB ALA 3 -2.266 -3.008 2.024 18 HB2 ALA 3 1HB ALA 3 -2.202 -3.083 3.792 19 HB3 ALA 3 2HB ALA 3 -3.733 -2.776 2.970 20 H LYS 4 H LYS 4 -1.806 -5.376 0.780 21 HA LYS 4 HA LYS 4 0.660 -6.269 2.124 22 HB2 LYS 4 1HB LYS 4 1.242 -7.393 -0.039 23 HB3 LYS 4 2HB LYS 4 -0.218 -8.047 0.690 24 HG2 LYS 4 1HG LYS 4 -1.596 -6.692 -0.877 25 HG3 LYS 4 2HG LYS 4 -0.119 -6.091 -1.625 26 HD2 LYS 4 1HD LYS 4 -0.975 -7.841 -3.029 27 HD3 LYS 4 2HD LYS 4 0.467 -8.473 -2.232 28 HE2 LYS 4 1HE LYS 4 -1.330 -10.147 -2.278 29 HE3 LYS 4 2HE LYS 4 -0.953 -9.680 -0.620 30 HZ1 LYS 4 3HZ LYS 4 -3.235 -8.625 -2.211 31 HZ2 LYS 4 1HZ LYS 4 -2.893 -8.267 -0.599 32 HZ3 LYS 4 2HZ LYS 4 -3.348 -9.834 -1.031 33 H ILE 5 H ILE 5 2.295 -4.870 2.002 34 HA ILE 5 HA ILE 5 2.410 -2.747 -0.056 35 HB ILE 5 HB ILE 5 3.932 -2.969 2.591 36 HG12 ILE 5 1HG1 ILE 5 1.808 -0.987 1.679 37 HG13 ILE 5 2HG1 ILE 5 1.568 -2.278 2.855 38 HG21 ILE 5 1HG2 ILE 5 4.912 -0.738 2.073 39 HG22 ILE 5 2HG2 ILE 5 4.149 -0.766 0.483 40 HG23 ILE 5 3HG2 ILE 5 5.402 -1.942 0.880 41 HD11 ILE 5 3HD1 ILE 5 3.307 0.164 3.147 42 HD12 ILE 5 1HD1 ILE 5 3.215 -1.152 4.324 43 HD13 ILE 5 2HD1 ILE 5 1.788 -0.179 3.972 44 H TYR 6 H TYR 6 3.842 -3.024 -1.626 45 HA TYR 6 HA TYR 6 6.403 -4.315 -1.201 46 HD1 TYR 6 HD1 TYR 6 2.592 -5.580 -1.866 47 HD2 TYR 6 HD2 TYR 6 5.109 -5.514 -5.324 48 HE1 TYR 6 HE1 TYR 6 0.605 -5.564 -3.307 49 HE2 TYR 6 HE2 TYR 6 3.117 -5.504 -6.764 50 HH TYR 6 HH TYR 6 -0.074 -4.995 -5.527 51 HB2 TYR 6 1HB TYR 6 6.097 -5.880 -3.157 52 HB3 TYR 6 2HB TYR 6 5.075 -6.274 -1.784 53 H ARG 7 H ARG 7 7.538 -4.324 -3.492 54 HA ARG 7 HA ARG 7 6.760 -2.031 -5.153 55 HE ARG 7 HE ARG 7 10.289 1.627 -6.248 56 HB2 ARG 7 1HB ARG 7 8.444 -1.214 -3.482 57 HB3 ARG 7 2HB ARG 7 9.575 -2.428 -4.061 58 HG2 ARG 7 1HG ARG 7 9.567 -1.333 -6.308 59 HG3 ARG 7 2HG ARG 7 8.476 -0.097 -5.675 60 HD2 ARG 7 1HD ARG 7 10.179 0.542 -4.010 61 HD3 ARG 7 2HD ARG 7 11.276 -0.675 -4.666 62 HH11 ARG 7 1HH1 ARG 7 12.960 -0.407 -5.208 63 HH12 ARG 7 2HH1 ARG 7 14.132 0.437 -6.158 64 HH21 ARG 7 1HH2 ARG 7 11.826 2.742 -7.463 65 HH22 ARG 7 2HH2 ARG 7 13.485 2.248 -7.435 66 HA PRO 8 HA PRO 8 7.416 -5.848 -7.531 67 HB2 PRO 8 1HB PRO 8 6.135 -5.053 -9.836 68 HB3 PRO 8 2HB PRO 8 5.272 -5.589 -8.383 69 HG2 PRO 8 1HG PRO 8 5.870 -2.778 -9.304 70 HG3 PRO 8 2HG PRO 8 4.344 -3.441 -8.678 71 HD2 PRO 8 1HD PRO 8 6.012 -1.996 -7.115 72 HD3 PRO 8 2HD PRO 8 5.070 -3.353 -6.457 73 H ALA 9 H ALA 9 9.282 -6.367 -8.443 74 HA ALA 9 HA ALA 9 11.165 -4.616 -9.619 75 HB1 ALA 9 3HB ALA 9 10.984 -7.644 -9.842 76 HB2 ALA 9 1HB ALA 9 11.817 -6.747 -8.571 77 HB3 ALA 9 2HB ALA 9 12.403 -6.663 -10.232 78 H LYS 10 H LYS 10 8.677 -6.744 -10.962 79 HA LYS 10 HA LYS 10 9.212 -6.268 -13.739 80 HB2 LYS 10 1HB LYS 10 7.016 -7.318 -14.122 81 HB3 LYS 10 2HB LYS 10 7.954 -8.251 -12.958 82 HG2 LYS 10 1HG LYS 10 6.642 -7.162 -11.114 83 HG3 LYS 10 2HG LYS 10 5.635 -6.375 -12.337 84 HD2 LYS 10 1HD LYS 10 5.931 -9.377 -11.895 85 HD3 LYS 10 2HD LYS 10 4.542 -8.388 -11.433 86 HE2 LYS 10 1HE LYS 10 4.093 -7.902 -13.816 87 HE3 LYS 10 2HE LYS 10 5.491 -8.871 -14.286 88 HZ1 LYS 10 3HZ LYS 10 3.036 -9.841 -12.932 89 HZ2 LYS 10 1HZ LYS 10 4.392 -10.797 -13.262 90 HZ3 LYS 10 2HZ LYS 10 3.493 -10.136 -14.532 91 H THR 11 H THR 11 7.430 -4.608 -11.255 92 HA THR 11 HA THR 11 6.357 -2.672 -11.039 93 HB THR 11 HB THR 11 7.412 -1.866 -13.779 94 HG1 THR 11 HG1 THR 11 8.807 -2.516 -11.673 95 HG21 THR 11 3HG2 THR 11 6.552 -0.179 -11.395 96 HG22 THR 11 1HG2 THR 11 5.636 -0.374 -12.896 97 HG23 THR 11 2HG2 THR 11 7.205 0.430 -12.917 98 H ALA 12 H ALA 12 5.955 -3.094 -14.573 99 HA ALA 12 HA ALA 12 3.216 -2.411 -14.643 100 HB1 ALA 12 3HB ALA 12 4.696 -2.233 -16.602 101 HB2 ALA 12 1HB ALA 12 3.282 -3.221 -16.964 102 HB3 ALA 12 2HB ALA 12 4.846 -3.990 -16.671 103 H MET 13 H MET 13 1.479 -3.560 -14.102 104 HA MET 13 HA MET 13 1.609 -6.513 -13.835 105 HB2 MET 13 1HB MET 13 -0.428 -4.580 -12.628 106 HB3 MET 13 2HB MET 13 -0.299 -6.308 -12.306 107 HG2 MET 13 1HG MET 13 1.845 -5.976 -11.210 108 HG3 MET 13 2HG MET 13 1.815 -4.257 -11.619 109 HE1 MET 13 3HE MET 13 2.363 -5.040 -8.662 110 HE2 MET 13 1HE MET 13 1.252 -3.957 -7.822 111 HE3 MET 13 2HE MET 13 2.142 -3.381 -9.232 112 H GLN 14 H GLN 14 -0.336 -3.799 -15.025 113 HA GLN 14 HA GLN 14 -0.858 -5.154 -17.496 114 HB2 GLN 14 1HB GLN 14 -2.748 -6.019 -16.049 115 HB3 GLN 14 2HB GLN 14 -3.290 -4.357 -15.814 116 HG2 GLN 14 1HG GLN 14 -3.695 -4.144 -18.244 117 HG3 GLN 14 2HG GLN 14 -3.122 -5.794 -18.491 118 HE21 GLN 14 2HE2 GLN 14 -5.706 -4.648 -19.168 119 HE22 GLN 14 1HE2 GLN 14 -6.895 -5.579 -18.325 120 H SER 15 H SER 15 0.349 -3.446 -18.283 121 HA SER 15 HA SER 15 -1.046 -1.089 -19.061 122 HG SER 15 HG SER 15 -0.535 1.209 -18.336 123 HB2 SER 15 1HB SER 15 -0.406 -0.392 -16.729 124 HB3 SER 15 2HB SER 15 1.293 -0.616 -17.145 125 H GLY 16 H GLY 16 1.994 -2.864 -18.772 126 HA2 GLY 16 1HA GLY 16 3.583 -3.371 -20.366 127 HA3 GLY 16 2HA GLY 16 2.653 -2.459 -21.552 128 H THR 17 H THR 17 4.142 -1.522 -18.465 129 HA THR 17 HA THR 17 5.584 0.705 -19.761 130 HB THR 17 HB THR 17 5.746 1.637 -17.427 131 HG1 THR 17 HG1 THR 17 5.174 0.446 -15.768 132 HG21 THR 17 3HG2 THR 17 3.828 2.314 -18.843 133 HG22 THR 17 1HG2 THR 17 3.375 2.241 -17.138 134 HG23 THR 17 2HG2 THR 17 2.898 0.942 -18.234 135 H ALA 18 H ALA 18 7.726 1.232 -18.777 136 HA ALA 18 HA ALA 18 9.494 -1.029 -18.724 137 HB1 ALA 18 3HB ALA 18 10.039 1.897 -18.077 138 HB2 ALA 18 1HB ALA 18 10.196 1.141 -19.667 139 HB3 ALA 18 2HB ALA 18 11.266 0.656 -18.351 140 H LYS 19 H LYS 19 11.011 -1.448 -16.920 141 HA LYS 19 HA LYS 19 9.625 -1.683 -14.392 142 HB2 LYS 19 1HB LYS 19 12.422 -2.586 -15.224 143 HB3 LYS 19 2HB LYS 19 11.716 -2.897 -13.644 144 HG2 LYS 19 1HG LYS 19 11.336 -4.912 -14.744 145 HG3 LYS 19 2HG LYS 19 9.805 -4.082 -14.959 146 HD2 LYS 19 1HD LYS 19 10.366 -5.142 -17.045 147 HD3 LYS 19 2HD LYS 19 10.563 -3.399 -17.266 148 HE2 LYS 19 1HE LYS 19 12.990 -3.615 -17.039 149 HE3 LYS 19 2HE LYS 19 12.835 -5.337 -16.682 150 HZ1 LYS 19 3HZ LYS 19 11.989 -5.693 -18.895 151 HZ2 LYS 19 1HZ LYS 19 13.491 -4.914 -18.970 152 HZ3 LYS 19 2HZ LYS 19 12.069 -4.042 -19.235 153 H THR 20 H THR 20 9.400 0.600 -14.020 154 HA THR 20 HA THR 20 11.742 2.187 -13.312 155 HB THR 20 HB THR 20 9.856 3.312 -14.435 156 HG1 THR 20 HG1 THR 20 9.468 4.899 -12.534 157 HG21 THR 20 3HG2 THR 20 7.714 3.730 -13.283 158 HG22 THR 20 1HG2 THR 20 8.216 2.685 -11.952 159 HG23 THR 20 2HG2 THR 20 7.957 2.003 -13.560 160 H ASN 21 H ASN 21 9.334 0.236 -11.777 161 HA ASN 21 HA ASN 21 8.939 -0.546 -9.735 162 HB2 ASN 21 1HB ASN 21 11.823 0.277 -9.248 163 HB3 ASN 21 2HB ASN 21 10.857 -0.531 -8.026 164 HD21 ASN 21 2HD2 ASN 21 10.828 -1.259 -11.517 165 HD22 ASN 21 1HD2 ASN 21 11.497 -2.841 -11.350 166 H VAL 22 H VAL 22 7.288 0.778 -9.177 167 HA VAL 22 HA VAL 22 7.870 2.959 -7.246 168 HB VAL 22 HB VAL 22 6.652 3.751 -9.267 169 HG11 VAL 22 1HG1 VAL 22 4.460 1.792 -8.500 170 HG12 VAL 22 2HG1 VAL 22 5.498 1.685 -9.922 171 HG13 VAL 22 3HG1 VAL 22 4.345 3.012 -9.772 172 HG21 VAL 22 3HG2 VAL 22 6.224 4.899 -7.137 173 HG22 VAL 22 1HG2 VAL 22 4.910 3.775 -6.776 174 HG23 VAL 22 2HG2 VAL 22 4.768 4.894 -8.136 175 H TRP 23 H TRP 23 6.394 2.912 -5.272 176 HA TRP 23 HA TRP 23 6.323 0.146 -4.315 177 HD1 TRP 23 HD1 TRP 23 8.474 3.419 -3.710 178 HE1 TRP 23 HE1 TRP 23 10.687 2.801 -2.581 179 HE3 TRP 23 HE3 TRP 23 6.868 -0.543 -0.889 180 HZ2 TRP 23 HZ2 TRP 23 11.651 0.896 -0.752 181 HZ3 TRP 23 HZ3 TRP 23 8.513 -1.724 0.525 182 HH2 TRP 23 HH2 TRP 23 10.858 -1.014 0.583 183 HB2 TRP 23 1HB TRP 23 5.898 2.814 -2.896 184 HB3 TRP 23 2HB TRP 23 5.693 1.255 -2.105 185 H VAL 24 H VAL 24 4.432 -0.966 -4.317 186 HA VAL 24 HA VAL 24 1.916 0.476 -4.801 187 HB VAL 24 HB VAL 24 2.650 -2.464 -5.167 188 HG11 VAL 24 1HG1 VAL 24 0.267 -2.282 -4.532 189 HG12 VAL 24 2HG1 VAL 24 0.428 -2.754 -6.226 190 HG13 VAL 24 3HG1 VAL 24 0.005 -1.090 -5.810 191 HG21 VAL 24 3HG2 VAL 24 2.427 -1.980 -7.578 192 HG22 VAL 24 1HG2 VAL 24 3.670 -0.965 -6.845 193 HG23 VAL 24 2HG2 VAL 24 2.080 -0.290 -7.220 194 H LEU 25 H LEU 25 0.315 0.455 -3.355 195 HA LEU 25 HA LEU 25 0.396 -1.327 -0.993 196 HG LEU 25 HG LEU 25 -2.375 0.040 0.034 197 HB2 LEU 25 1HB LEU 25 0.502 1.006 -0.259 198 HB3 LEU 25 2HB LEU 25 -0.810 1.460 -1.334 199 HD11 LEU 25 1HD1 LEU 25 -0.049 -0.238 1.948 200 HD12 LEU 25 2HD1 LEU 25 -0.770 -1.536 0.991 201 HD13 LEU 25 3HD1 LEU 25 -1.715 -0.743 2.249 202 HD21 LEU 25 3HD2 LEU 25 -2.569 1.559 1.934 203 HD22 LEU 25 1HD2 LEU 25 -2.257 2.449 0.440 204 HD23 LEU 25 2HD2 LEU 25 -0.953 2.198 1.610 205 H GLU 26 H GLU 26 -0.786 -2.952 -1.587 206 HA GLU 26 HA GLU 26 -3.324 -2.563 -3.094 207 HB2 GLU 26 1HB GLU 26 -1.555 -4.169 -4.022 208 HB3 GLU 26 2HB GLU 26 -1.815 -5.171 -2.601 209 HG2 GLU 26 1HG GLU 26 -4.293 -5.242 -3.332 210 HG3 GLU 26 2HG GLU 26 -3.726 -4.583 -4.871 211 H PHE 27 H PHE 27 -5.216 -2.909 -1.904 212 HA PHE 27 HA PHE 27 -5.047 -4.370 0.652 213 HD1 PHE 27 HD1 PHE 27 -4.820 -0.592 -1.065 214 HD2 PHE 27 HD2 PHE 27 -8.158 -1.399 1.494 215 HE1 PHE 27 HE1 PHE 27 -6.055 1.280 -2.059 216 HE2 PHE 27 HE2 PHE 27 -9.372 0.474 0.485 217 HZ PHE 27 HZ PHE 27 -8.331 1.819 -1.288 218 HB2 PHE 27 1HB PHE 27 -6.110 -2.530 1.870 219 HB3 PHE 27 2HB PHE 27 -4.628 -1.968 1.122 220 H ASP 28 H ASP 28 -6.875 -5.356 1.360 221 HA ASP 28 HA ASP 28 -9.148 -5.848 -0.172 222 HB2 ASP 28 1HB ASP 28 -8.731 -5.876 2.859 223 HB3 ASP 28 2HB ASP 28 -10.212 -6.454 2.091 224 H ALA 29 H ALA 29 -9.905 -3.984 -1.072 225 HA ALA 29 HA ALA 29 -10.557 -1.603 0.385 226 HB1 ALA 29 3HB ALA 29 -11.339 -2.476 -2.423 227 HB2 ALA 29 1HB ALA 29 -9.933 -1.508 -1.985 228 HB3 ALA 29 2HB ALA 29 -11.554 -0.855 -1.756 229 H GLU 30 H GLU 30 -12.420 -1.030 1.242 230 HA GLU 30 HA GLU 30 -14.524 -2.869 1.792 231 HB2 GLU 30 1HB GLU 30 -15.549 -1.048 3.044 232 HB3 GLU 30 2HB GLU 30 -13.820 -1.033 3.350 233 HG2 GLU 30 1HG GLU 30 -15.249 0.862 1.435 234 HG3 GLU 30 2HG GLU 30 -14.809 1.255 3.095 235 H VAL 31 H VAL 31 -13.868 -0.980 -0.919 236 HA VAL 31 HA VAL 31 -15.725 0.495 -1.898 237 HB VAL 31 HB VAL 31 -13.910 -0.087 -3.310 238 HG11 VAL 31 1HG1 VAL 31 -15.027 -2.884 -3.627 239 HG12 VAL 31 2HG1 VAL 31 -13.613 -2.441 -2.672 240 HG13 VAL 31 3HG1 VAL 31 -13.586 -2.247 -4.427 241 HG21 VAL 31 3HG2 VAL 31 -16.445 -0.958 -4.738 242 HG22 VAL 31 1HG2 VAL 31 -14.950 -0.450 -5.536 243 HG23 VAL 31 2HG2 VAL 31 -15.867 0.698 -4.557 244 HA PRO 32 HA PRO 32 -19.599 -1.959 -1.525 245 HB2 PRO 32 1HB PRO 32 -21.172 -0.010 -0.594 246 HB3 PRO 32 2HB PRO 32 -19.870 -0.640 0.434 247 HG2 PRO 32 1HG PRO 32 -19.919 1.883 -1.230 248 HG3 PRO 32 2HG PRO 32 -19.355 1.654 0.440 249 HD2 PRO 32 1HD PRO 32 -17.681 1.653 -1.793 250 HD3 PRO 32 2HD PRO 32 -17.282 0.902 -0.235 251 H ARG 33 H ARG 33 -21.997 -0.943 -2.204 252 HA ARG 33 HA ARG 33 -22.075 -0.568 -4.991 253 HE ARG 33 HE ARG 33 -25.342 1.915 -0.750 254 HB2 ARG 33 1HB ARG 33 -24.437 -0.229 -4.783 255 HB3 ARG 33 2HB ARG 33 -24.004 -1.406 -3.555 256 HG2 ARG 33 1HG ARG 33 -24.503 1.549 -3.018 257 HG3 ARG 33 2HG ARG 33 -25.702 0.278 -2.814 258 HD2 ARG 33 1HD ARG 33 -24.425 -0.720 -1.019 259 HD3 ARG 33 2HD ARG 33 -23.069 0.374 -1.313 260 HH11 ARG 33 1HH1 ARG 33 -23.256 -0.338 0.954 261 HH12 ARG 33 2HH1 ARG 33 -23.449 0.460 2.480 262 HH21 ARG 33 1HH2 ARG 33 -25.566 2.959 1.238 263 HH22 ARG 33 2HH2 ARG 33 -24.755 2.332 2.638 264 H LYS 34 H LYS 34 -21.816 1.707 -2.310 265 HA LYS 34 HA LYS 34 -22.435 4.102 -3.782 266 HB2 LYS 34 1HB LYS 34 -21.252 3.581 -1.036 267 HB3 LYS 34 2HB LYS 34 -21.368 5.213 -1.682 268 HG2 LYS 34 1HG LYS 34 -23.728 3.344 -1.267 269 HG3 LYS 34 2HG LYS 34 -23.231 4.609 -0.139 270 HD2 LYS 34 1HD LYS 34 -24.163 5.059 -3.011 271 HD3 LYS 34 2HD LYS 34 -25.134 5.330 -1.564 272 HE2 LYS 34 1HE LYS 34 -23.571 7.097 -0.838 273 HE3 LYS 34 2HE LYS 34 -22.576 6.817 -2.266 274 HZ1 LYS 34 3HZ LYS 34 -24.464 7.480 -3.636 275 HZ2 LYS 34 1HZ LYS 34 -23.999 8.707 -2.576 276 HZ3 LYS 34 2HZ LYS 34 -25.379 7.788 -2.247 277 H ILE 35 H ILE 35 -21.081 3.984 -5.571 278 HA ILE 35 HA ILE 35 -18.364 5.045 -5.150 279 HB ILE 35 HB ILE 35 -17.565 3.717 -7.161 280 HG12 ILE 35 1HG1 ILE 35 -20.147 2.128 -6.737 281 HG13 ILE 35 2HG1 ILE 35 -19.764 3.120 -8.141 282 HG21 ILE 35 1HG2 ILE 35 -17.113 1.638 -5.924 283 HG22 ILE 35 2HG2 ILE 35 -18.369 2.053 -4.758 284 HG23 ILE 35 3HG2 ILE 35 -16.923 3.056 -4.887 285 HD11 ILE 35 3HD1 ILE 35 -19.493 0.772 -8.641 286 HD12 ILE 35 1HD1 ILE 35 -18.347 0.584 -7.312 287 HD13 ILE 35 2HD1 ILE 35 -17.929 1.585 -8.707 288 H ASP 36 H ASP 36 -17.750 5.425 -7.868 289 HA ASP 36 HA ASP 36 -19.019 7.753 -8.629 290 HB2 ASP 36 1HB ASP 36 -17.797 5.679 -10.494 291 HB3 ASP 36 2HB ASP 36 -18.119 7.358 -10.910 292 HA PRO 37 HA PRO 37 -23.165 6.255 -9.718 293 HB2 PRO 37 1HB PRO 37 -23.998 8.510 -11.138 294 HB3 PRO 37 2HB PRO 37 -24.027 8.373 -9.377 295 HG2 PRO 37 1HG PRO 37 -21.932 9.630 -11.146 296 HG3 PRO 37 2HG PRO 37 -22.653 10.262 -9.647 297 HD2 PRO 37 1HD PRO 37 -20.236 9.130 -9.594 298 HD3 PRO 37 2HD PRO 37 -21.392 8.809 -8.279 299 H ILE 38 H ILE 38 -20.740 7.139 -11.969 300 HA ILE 38 HA ILE 38 -21.944 6.390 -14.432 301 HB ILE 38 HB ILE 38 -19.041 6.706 -13.555 302 HG12 ILE 38 1HG1 ILE 38 -20.336 8.802 -13.498 303 HG13 ILE 38 2HG1 ILE 38 -19.133 8.858 -14.782 304 HG21 ILE 38 1HG2 ILE 38 -18.401 6.761 -15.945 305 HG22 ILE 38 2HG2 ILE 38 -20.043 6.290 -16.391 306 HG23 ILE 38 3HG2 ILE 38 -19.032 5.188 -15.452 307 HD11 ILE 38 3HD1 ILE 38 -20.902 8.377 -16.432 308 HD12 ILE 38 1HD1 ILE 38 -21.207 9.849 -15.510 309 HD13 ILE 38 2HD1 ILE 38 -22.096 8.376 -15.130 310 H MET 39 H MET 39 -19.812 4.675 -12.098 311 HA MET 39 HA MET 39 -19.936 2.234 -13.786 312 HB2 MET 39 1HB MET 39 -17.755 1.600 -12.800 313 HB3 MET 39 2HB MET 39 -17.676 3.147 -13.631 314 HG2 MET 39 1HG MET 39 -17.692 4.342 -11.527 315 HG3 MET 39 2HG MET 39 -17.939 2.849 -10.629 316 HE1 MET 39 3HE MET 39 -16.064 1.027 -10.209 317 HE2 MET 39 1HE MET 39 -14.484 1.049 -10.989 318 HE3 MET 39 2HE MET 39 -15.934 0.761 -11.948 319 H GLY 40 H GLY 40 -20.179 0.192 -12.831 320 HA2 GLY 40 1HA GLY 40 -20.281 -1.407 -11.144 321 HA3 GLY 40 2HA GLY 40 -20.212 -0.140 -9.937 322 H TYR 41 H TYR 41 -22.629 0.977 -11.725 323 HA TYR 41 HA TYR 41 -24.703 -0.307 -10.088 324 HD1 TYR 41 HD1 TYR 41 -26.180 1.643 -8.453 325 HD2 TYR 41 HD2 TYR 41 -22.938 3.356 -10.659 326 HE1 TYR 41 HE1 TYR 41 -25.436 2.843 -6.444 327 HE2 TYR 41 HE2 TYR 41 -22.208 4.554 -8.648 328 HH TYR 41 HH TYR 41 -23.316 3.809 -5.565 329 HB2 TYR 41 1HB TYR 41 -24.757 2.190 -11.840 330 HB3 TYR 41 2HB TYR 41 -26.153 1.580 -10.951 331 H THR 42 H THR 42 -23.338 -1.046 -12.955 332 HA THR 42 HA THR 42 -25.527 -1.801 -14.599 333 HB THR 42 HB THR 42 -23.844 -3.491 -15.543 334 HG1 THR 42 HG1 THR 42 -22.656 -3.633 -13.495 335 HG21 THR 42 3HG2 THR 42 -22.874 -0.611 -15.350 336 HG22 THR 42 1HG2 THR 42 -24.044 -1.219 -16.527 337 HG23 THR 42 2HG2 THR 42 -22.373 -1.790 -16.562 338 H SER 43 H SER 43 -26.270 -4.021 -14.990 339 HA SER 43 HA SER 43 -27.332 -5.292 -12.739 340 HG SER 43 HG SER 43 -29.033 -7.477 -14.861 341 HB2 SER 43 1HB SER 43 -28.245 -5.406 -15.088 342 HB3 SER 43 2HB SER 43 -26.956 -6.540 -15.496 343 H SER 44 H SER 44 -24.488 -6.134 -14.712 344 HA SER 44 HA SER 44 -23.646 -8.192 -12.788 345 HG SER 44 HG SER 44 -21.475 -6.785 -15.570 346 HB2 SER 44 1HB SER 44 -21.792 -8.584 -14.438 347 HB3 SER 44 2HB SER 44 -23.396 -8.780 -15.148 348 H SER 45 H SER 45 -23.286 -6.799 -11.004 349 HA SER 45 HA SER 45 -21.041 -4.888 -11.149 350 HG SER 45 HG SER 45 -22.954 -6.398 -8.604 351 HB2 SER 45 1HB SER 45 -21.831 -4.219 -8.840 352 HB3 SER 45 2HB SER 45 -23.054 -4.002 -10.092 353 H ASP 46 H ASP 46 -19.096 -5.425 -10.323 354 HA ASP 46 HA ASP 46 -18.689 -8.011 -9.047 355 HB2 ASP 46 1HB ASP 46 -17.168 -7.021 -10.879 356 HB3 ASP 46 2HB ASP 46 -16.561 -5.919 -9.650 357 H MET 47 H MET 47 -18.171 -8.285 -6.902 358 HA MET 47 HA MET 47 -18.946 -6.239 -5.042 359 HB2 MET 47 1HB MET 47 -17.780 -9.022 -4.623 360 HB3 MET 47 2HB MET 47 -18.296 -7.977 -3.301 361 HG2 MET 47 1HG MET 47 -20.027 -9.581 -3.750 362 HG3 MET 47 2HG MET 47 -20.599 -7.985 -4.236 363 HE1 MET 47 3HE MET 47 -22.313 -10.470 -6.820 364 HE2 MET 47 1HE MET 47 -22.620 -9.214 -5.625 365 HE3 MET 47 2HE MET 47 -21.982 -10.781 -5.115 366 H LYS 48 H LYS 48 -17.389 -6.258 -2.899 367 HA LYS 48 HA LYS 48 -15.231 -4.589 -3.522 368 HB2 LYS 48 1HB LYS 48 -14.568 -4.716 -1.149 369 HB3 LYS 48 2HB LYS 48 -16.274 -4.380 -1.348 370 HG2 LYS 48 1HG LYS 48 -15.421 -7.230 -0.877 371 HG3 LYS 48 2HG LYS 48 -15.392 -6.106 0.479 372 HD2 LYS 48 1HD LYS 48 -17.868 -6.560 -1.236 373 HD3 LYS 48 2HD LYS 48 -17.515 -7.504 0.208 374 HE2 LYS 48 1HE LYS 48 -19.068 -5.764 0.812 375 HE3 LYS 48 2HE LYS 48 -17.517 -5.369 1.536 376 HZ1 LYS 48 3HZ LYS 48 -17.155 -3.704 -0.116 377 HZ2 LYS 48 1HZ LYS 48 -18.691 -3.465 0.540 378 HZ3 LYS 48 2HZ LYS 48 -18.524 -4.171 -0.986 379 H GLN 49 H GLN 49 -12.989 -4.864 -3.360 380 HA GLN 49 HA GLN 49 -11.803 -7.511 -3.499 381 HB2 GLN 49 1HB GLN 49 -11.070 -7.264 -5.868 382 HB3 GLN 49 2HB GLN 49 -12.823 -7.363 -5.724 383 HG2 GLN 49 1HG GLN 49 -12.872 -4.819 -5.871 384 HG3 GLN 49 2HG GLN 49 -11.156 -4.888 -6.276 385 HE21 GLN 49 2HE2 GLN 49 -14.384 -5.610 -7.336 386 HE22 GLN 49 1HE2 GLN 49 -14.006 -5.888 -9.002 387 H GLN 50 H GLN 50 -9.429 -7.180 -4.436 388 HA GLN 50 HA GLN 50 -8.213 -5.147 -2.741 389 HB2 GLN 50 1HB GLN 50 -6.961 -7.382 -4.395 390 HB3 GLN 50 2HB GLN 50 -6.045 -6.257 -3.396 391 HG2 GLN 50 1HG GLN 50 -6.268 -8.296 -2.170 392 HG3 GLN 50 2HG GLN 50 -7.294 -7.098 -1.389 393 HE21 GLN 50 2HE2 GLN 50 -8.602 -8.642 -0.407 394 HE22 GLN 50 1HE2 GLN 50 -9.694 -9.654 -1.278 395 H VAL 51 H VAL 51 -8.338 -3.116 -3.676 396 HA VAL 51 HA VAL 51 -7.252 -2.728 -6.376 397 HB VAL 51 HB VAL 51 -8.154 -0.487 -6.324 398 HG11 VAL 51 1HG1 VAL 51 -9.741 -2.264 -6.961 399 HG12 VAL 51 2HG1 VAL 51 -10.575 -0.919 -6.185 400 HG13 VAL 51 3HG1 VAL 51 -10.278 -2.407 -5.282 401 HG21 VAL 51 3HG2 VAL 51 -8.981 -0.970 -3.437 402 HG22 VAL 51 1HG2 VAL 51 -9.441 0.437 -4.397 403 HG23 VAL 51 2HG2 VAL 51 -7.746 0.154 -3.996 404 H LYS 52 H LYS 52 -5.874 -0.486 -6.379 405 HA LYS 52 HA LYS 52 -3.903 -0.660 -4.238 406 HB2 LYS 52 1HB LYS 52 -2.036 -1.217 -5.796 407 HB3 LYS 52 2HB LYS 52 -3.200 -2.519 -5.592 408 HG2 LYS 52 1HG LYS 52 -4.205 -2.033 -7.749 409 HG3 LYS 52 2HG LYS 52 -3.145 -0.636 -7.967 410 HD2 LYS 52 1HD LYS 52 -1.178 -2.102 -8.027 411 HD3 LYS 52 2HD LYS 52 -2.195 -3.516 -7.709 412 HE2 LYS 52 1HE LYS 52 -2.384 -1.741 -10.165 413 HE3 LYS 52 2HE LYS 52 -1.581 -3.308 -10.093 414 HZ1 LYS 52 3HZ LYS 52 -3.707 -4.330 -9.552 415 HZ2 LYS 52 1HZ LYS 52 -3.788 -3.505 -11.024 416 HZ3 LYS 52 2HZ LYS 52 -4.473 -2.825 -9.637 417 H LEU 53 H LEU 53 -2.376 0.856 -4.214 418 HA LEU 53 HA LEU 53 -2.711 3.302 -5.867 419 HG LEU 53 HG LEU 53 -4.252 4.850 -4.552 420 HB2 LEU 53 1HB LEU 53 -2.462 3.076 -2.843 421 HB3 LEU 53 2HB LEU 53 -1.901 4.514 -3.668 422 HD11 LEU 53 1HD1 LEU 53 -4.978 2.674 -2.575 423 HD12 LEU 53 2HD1 LEU 53 -5.146 2.595 -4.331 424 HD13 LEU 53 3HD1 LEU 53 -6.116 3.737 -3.405 425 HD21 LEU 53 3HD2 LEU 53 -3.388 6.138 -2.659 426 HD22 LEU 53 1HD2 LEU 53 -3.918 4.876 -1.540 427 HD23 LEU 53 2HD2 LEU 53 -5.109 5.805 -2.460 428 H THR 54 H THR 54 -0.711 4.542 -6.086 429 HA THR 54 HA THR 54 1.759 2.959 -5.643 430 HB THR 54 HB THR 54 2.642 4.199 -7.709 431 HG1 THR 54 HG1 THR 54 -0.011 4.555 -8.556 432 HG21 THR 54 3HG2 THR 54 1.965 1.811 -7.799 433 HG22 THR 54 1HG2 THR 54 1.588 2.642 -9.316 434 HG23 THR 54 2HG2 THR 54 0.306 2.293 -8.157 435 H PHE 55 H PHE 55 3.367 3.920 -4.602 436 HA PHE 55 HA PHE 55 3.295 6.780 -3.869 437 HD1 PHE 55 HD1 PHE 55 1.665 3.368 -2.315 438 HD2 PHE 55 HD2 PHE 55 2.052 7.420 -1.002 439 HE1 PHE 55 HE1 PHE 55 -0.657 3.342 -1.508 440 HE2 PHE 55 HE2 PHE 55 -0.268 7.375 -0.202 441 HZ PHE 55 HZ PHE 55 -1.621 5.340 -0.449 442 HB2 PHE 55 1HB PHE 55 3.906 4.425 -2.019 443 HB3 PHE 55 2HB PHE 55 4.034 6.120 -1.573 444 H GLU 56 H GLU 56 5.411 7.679 -3.411 445 HA GLU 56 HA GLU 56 7.508 6.646 -5.047 446 HB2 GLU 56 1HB GLU 56 7.599 8.906 -3.015 447 HB3 GLU 56 2HB GLU 56 8.782 8.619 -4.285 448 HG2 GLU 56 1HG GLU 56 5.865 9.348 -4.718 449 HG3 GLU 56 2HG GLU 56 7.223 10.462 -4.830 450 H THR 57 H THR 57 6.804 6.431 -1.597 451 HA THR 57 HA THR 57 9.146 4.676 -1.197 452 HB THR 57 HB THR 57 9.518 5.642 1.096 453 HG1 THR 57 HG1 THR 57 8.590 7.838 1.386 454 HG21 THR 57 3HG2 THR 57 10.712 7.688 0.400 455 HG22 THR 57 1HG2 THR 57 9.854 7.676 -1.142 456 HG23 THR 57 2HG2 THR 57 10.985 6.379 -0.752 457 H GLN 58 H GLN 58 8.939 3.242 0.664 458 HA GLN 58 HA GLN 58 6.522 1.944 1.110 459 HB2 GLN 58 1HB GLN 58 8.670 0.934 1.728 460 HB3 GLN 58 2HB GLN 58 8.946 2.175 2.941 461 HG2 GLN 58 1HG GLN 58 6.844 1.293 4.122 462 HG3 GLN 58 2HG GLN 58 6.909 -0.074 3.008 463 HE21 GLN 58 2HE2 GLN 58 7.237 0.118 5.957 464 HE22 GLN 58 1HE2 GLN 58 8.738 -0.676 6.285 465 H GLU 59 H GLU 59 8.098 4.509 2.931 466 HA GLU 59 HA GLU 59 6.568 4.580 5.223 467 HB2 GLU 59 1HB GLU 59 8.074 6.844 3.858 468 HB3 GLU 59 2HB GLU 59 7.501 6.872 5.530 469 HG2 GLU 59 1HG GLU 59 8.931 4.861 5.993 470 HG3 GLU 59 2HG GLU 59 9.570 4.986 4.352 471 H GLN 60 H GLN 60 6.061 6.243 2.148 472 HA GLN 60 HA GLN 60 3.810 7.810 2.869 473 HB2 GLN 60 1HB GLN 60 4.750 6.722 0.190 474 HB3 GLN 60 2HB GLN 60 3.392 7.832 0.356 475 HG2 GLN 60 1HG GLN 60 4.832 9.566 1.230 476 HG3 GLN 60 2HG GLN 60 6.206 8.461 1.284 477 HE21 GLN 60 2HE2 GLN 60 7.433 9.823 -0.026 478 HE22 GLN 60 1HE2 GLN 60 7.129 10.015 -1.715 479 H ALA 61 H ALA 61 4.111 4.451 1.665 480 HA ALA 61 HA ALA 61 1.314 4.043 1.222 481 HB1 ALA 61 3HB ALA 61 3.585 2.030 1.448 482 HB2 ALA 61 1HB ALA 61 3.029 2.805 -0.040 483 HB3 ALA 61 2HB ALA 61 1.964 1.690 0.826 484 H GLU 62 H GLU 62 3.553 3.362 3.842 485 HA GLU 62 HA GLU 62 1.749 1.606 5.255 486 HB2 GLU 62 1HB GLU 62 3.438 1.399 6.981 487 HB3 GLU 62 2HB GLU 62 4.180 1.222 5.398 488 HG2 GLU 62 1HG GLU 62 5.174 3.390 5.528 489 HG3 GLU 62 2HG GLU 62 4.249 3.807 6.967 490 H ALA 63 H ALA 63 2.930 4.956 5.749 491 HA ALA 63 HA ALA 63 1.448 5.444 8.107 492 HB1 ALA 63 3HB ALA 63 2.004 7.802 7.722 493 HB2 ALA 63 1HB ALA 63 2.503 7.428 6.066 494 HB3 ALA 63 2HB ALA 63 3.407 6.769 7.430 495 H TYR 64 H TYR 64 0.598 5.622 4.691 496 HA TYR 64 HA TYR 64 -1.868 7.011 4.916 497 HD1 TYR 64 HD2 TYR 64 -2.818 8.127 2.454 498 HD2 TYR 64 HD1 TYR 64 -3.116 3.869 2.197 499 HE1 TYR 64 HE2 TYR 64 -4.981 8.342 1.302 500 HE2 TYR 64 HE1 TYR 64 -5.268 4.085 1.037 501 HH TYR 64 HH TYR 64 -7.094 5.729 0.794 502 HB2 TYR 64 1HB TYR 64 -0.765 6.591 2.726 503 HB3 TYR 64 2HB TYR 64 -1.029 4.860 2.907 504 H ALA 65 H ALA 65 -1.102 3.543 4.791 505 HA ALA 65 HA ALA 65 -3.575 2.427 5.325 506 HB1 ALA 65 3HB ALA 65 -1.631 1.152 4.519 507 HB2 ALA 65 1HB ALA 65 -2.313 0.403 5.970 508 HB3 ALA 65 2HB ALA 65 -0.830 1.360 6.079 509 H GLN 66 H GLN 66 -1.039 3.340 7.668 510 HA GLN 66 HA GLN 66 -2.235 2.440 10.037 511 HB2 GLN 66 1HB GLN 66 -0.150 4.595 9.529 512 HB3 GLN 66 2HB GLN 66 -0.654 4.145 11.157 513 HG2 GLN 66 1HG GLN 66 0.160 1.881 10.836 514 HG3 GLN 66 2HG GLN 66 0.549 2.216 9.154 515 HE21 GLN 66 2HE2 GLN 66 2.403 3.420 8.673 516 HE22 GLN 66 1HE2 GLN 66 3.620 3.767 9.844 517 H ARG 67 H ARG 67 -2.310 5.620 8.460 518 HA ARG 67 HA ARG 67 -3.819 7.058 10.361 519 HE ARG 67 HE ARG 67 -4.600 11.693 8.776 520 HB2 ARG 67 1HB ARG 67 -2.406 7.956 8.454 521 HB3 ARG 67 2HB ARG 67 -3.694 7.495 7.345 522 HG2 ARG 67 1HG ARG 67 -5.212 9.100 8.426 523 HG3 ARG 67 2HG ARG 67 -3.958 9.514 9.602 524 HD2 ARG 67 1HD ARG 67 -2.510 10.233 7.645 525 HD3 ARG 67 2HD ARG 67 -3.929 10.032 6.610 526 HH11 ARG 67 1HH1 ARG 67 -2.734 11.814 5.791 527 HH12 ARG 67 2HH1 ARG 67 -2.764 13.548 5.720 528 HH21 ARG 67 1HH2 ARG 67 -4.619 13.955 8.657 529 HH22 ARG 67 2HH2 ARG 67 -3.829 14.751 7.332 530 H LYS 68 H LYS 68 -4.765 4.860 7.798 531 HA LYS 68 HA LYS 68 -7.633 5.451 8.073 532 HB2 LYS 68 1HB LYS 68 -6.218 3.453 6.261 533 HB3 LYS 68 2HB LYS 68 -7.927 3.877 6.195 534 HG2 LYS 68 1HG LYS 68 -5.602 5.738 5.593 535 HG3 LYS 68 2HG LYS 68 -6.655 4.969 4.401 536 HD2 LYS 68 1HD LYS 68 -8.582 6.242 5.291 537 HD3 LYS 68 2HD LYS 68 -7.540 6.996 6.502 538 HE2 LYS 68 1HE LYS 68 -6.234 8.076 4.688 539 HE3 LYS 68 2HE LYS 68 -7.275 7.311 3.483 540 HZ1 LYS 68 3HZ LYS 68 -9.145 8.526 4.371 541 HZ2 LYS 68 1HZ LYS 68 -7.912 9.586 3.922 542 HZ3 LYS 68 2HZ LYS 68 -8.167 9.233 5.551 543 H GLY 69 H GLY 69 -5.297 3.373 9.471 544 HA2 GLY 69 1HA GLY 69 -5.613 1.844 11.190 545 HA3 GLY 69 2HA GLY 69 -7.323 1.732 10.808 546 H ILE 70 H ILE 70 -5.823 1.466 7.940 547 HA ILE 70 HA ILE 70 -6.314 -1.286 7.529 548 HB ILE 70 HB ILE 70 -4.449 0.484 5.881 549 HG12 ILE 70 1HG1 ILE 70 -7.433 -0.056 5.477 550 HG13 ILE 70 2HG1 ILE 70 -6.767 1.438 6.124 551 HG21 ILE 70 1HG2 ILE 70 -5.865 -2.091 5.099 552 HG22 ILE 70 2HG2 ILE 70 -4.130 -1.901 5.367 553 HG23 ILE 70 3HG2 ILE 70 -4.908 -1.075 4.017 554 HD11 ILE 70 3HD1 ILE 70 -6.325 0.360 3.334 555 HD12 ILE 70 1HD1 ILE 70 -5.637 1.854 3.981 556 HD13 ILE 70 2HD1 ILE 70 -7.382 1.692 3.797 557 H GLU 71 H GLU 71 -5.352 -2.837 8.586 558 HA GLU 71 HA GLU 71 -2.612 -2.918 9.457 559 HB2 GLU 71 1HB GLU 71 -3.021 -5.357 9.838 560 HB3 GLU 71 2HB GLU 71 -4.252 -4.336 10.572 561 HG2 GLU 71 1HG GLU 71 -5.756 -4.834 8.644 562 HG3 GLU 71 2HG GLU 71 -4.523 -5.916 7.998 563 H TYR 72 H TYR 72 -0.743 -3.840 8.365 564 HA TYR 72 HA TYR 72 -1.094 -4.604 5.532 565 HD1 TYR 72 HD1 TYR 72 -0.791 -1.099 7.778 566 HD2 TYR 72 HD2 TYR 72 2.769 -2.618 5.962 567 HE1 TYR 72 HE1 TYR 72 0.579 0.162 9.380 568 HE2 TYR 72 HE2 TYR 72 4.124 -1.336 7.558 569 HH TYR 72 HH TYR 72 3.908 0.671 8.961 570 HB2 TYR 72 1HB TYR 72 0.598 -2.906 4.833 571 HB3 TYR 72 2HB TYR 72 -0.854 -2.172 5.501 572 H ARG 73 H ARG 73 0.591 -5.780 4.619 573 HA ARG 73 HA ARG 73 2.744 -6.773 6.395 574 HE ARG 73 HE ARG 73 0.824 -7.262 7.647 575 HB2 ARG 73 1HB ARG 73 1.639 -7.983 3.818 576 HB3 ARG 73 2HB ARG 73 2.904 -8.690 4.821 577 HG2 ARG 73 1HG ARG 73 0.008 -8.283 5.665 578 HG3 ARG 73 2HG ARG 73 0.709 -9.797 5.099 579 HD2 ARG 73 1HD ARG 73 0.696 -10.041 7.444 580 HD3 ARG 73 2HD ARG 73 2.358 -9.559 7.100 581 HH11 ARG 73 1HH1 ARG 73 2.088 -10.016 9.427 582 HH12 ARG 73 2HH1 ARG 73 2.179 -9.144 10.922 583 HH21 ARG 73 1HH2 ARG 73 0.938 -6.150 9.596 584 HH22 ARG 73 2HH2 ARG 73 1.526 -6.957 11.016 585 H VAL 74 H VAL 74 4.602 -5.687 6.057 586 HA VAL 74 HA VAL 74 5.251 -4.331 3.584 587 HB VAL 74 HB VAL 74 6.882 -4.638 6.154 588 HG11 VAL 74 1HG1 VAL 74 8.388 -2.878 5.226 589 HG12 VAL 74 2HG1 VAL 74 7.516 -2.944 3.695 590 HG13 VAL 74 3HG1 VAL 74 8.430 -4.347 4.251 591 HG21 VAL 74 3HG2 VAL 74 4.870 -3.240 6.425 592 HG22 VAL 74 1HG2 VAL 74 5.356 -2.255 5.041 593 HG23 VAL 74 2HG2 VAL 74 6.330 -2.250 6.512 594 H ILE 75 H ILE 75 6.111 -5.335 1.944 595 HA ILE 75 HA ILE 75 7.949 -7.639 2.227 596 HB ILE 75 HB ILE 75 5.943 -7.055 -0.018 597 HG12 ILE 75 1HG1 ILE 75 5.665 -9.328 1.991 598 HG13 ILE 75 2HG1 ILE 75 4.985 -7.743 2.324 599 HG21 ILE 75 1HG2 ILE 75 7.651 -9.531 0.425 600 HG22 ILE 75 2HG2 ILE 75 7.893 -8.314 -0.828 601 HG23 ILE 75 3HG2 ILE 75 6.446 -9.322 -0.850 602 HD11 ILE 75 3HD1 ILE 75 4.245 -9.568 0.049 603 HD12 ILE 75 1HD1 ILE 75 3.604 -7.938 0.299 604 HD13 ILE 75 2HD1 ILE 75 3.298 -9.197 1.492 605 H LEU 76 H LEU 76 9.874 -6.561 2.030 606 HA LEU 76 HA LEU 76 10.263 -4.184 0.533 607 HG LEU 76 HG LEU 76 10.925 -4.786 3.519 608 HB2 LEU 76 1HB LEU 76 12.222 -6.078 1.865 609 HB3 LEU 76 2HB LEU 76 12.723 -4.595 1.074 610 HD11 LEU 76 1HD1 LEU 76 12.762 -3.672 4.695 611 HD12 LEU 76 2HD1 LEU 76 13.741 -3.708 3.226 612 HD13 LEU 76 3HD1 LEU 76 13.280 -5.216 4.022 613 HD21 LEU 76 3HD2 LEU 76 10.183 -2.926 2.129 614 HD22 LEU 76 1HD2 LEU 76 11.837 -2.314 2.008 615 HD23 LEU 76 2HD2 LEU 76 11.001 -2.314 3.563 616 HA PRO 77 HA PRO 77 11.249 -5.783 -3.536 617 HB2 PRO 77 1HB PRO 77 12.654 -3.704 -4.591 618 HB3 PRO 77 2HB PRO 77 10.920 -3.602 -4.259 619 HG2 PRO 77 1HG PRO 77 13.232 -2.602 -2.601 620 HG3 PRO 77 2HG PRO 77 11.723 -1.764 -3.031 621 HD2 PRO 77 1HD PRO 77 12.068 -2.985 -0.619 622 HD3 PRO 77 2HD PRO 77 10.486 -2.894 -1.407 623 H LYS 78 H LYS 78 13.242 -5.816 -5.128 624 HA LYS 78 HA LYS 78 14.932 -7.757 -3.949 625 HB2 LYS 78 1HB LYS 78 15.978 -7.845 -6.294 626 HB3 LYS 78 2HB LYS 78 14.265 -8.193 -6.155 627 HG2 LYS 78 1HG LYS 78 14.462 -6.892 -8.106 628 HG3 LYS 78 2HG LYS 78 13.834 -5.782 -6.888 629 HD2 LYS 78 1HD LYS 78 16.059 -4.794 -6.600 630 HD3 LYS 78 2HD LYS 78 16.756 -5.968 -7.720 631 HE2 LYS 78 1HE LYS 78 16.417 -3.788 -8.806 632 HE3 LYS 78 2HE LYS 78 15.411 -5.025 -9.553 633 HZ1 LYS 78 3HZ LYS 78 14.215 -2.949 -9.222 634 HZ2 LYS 78 1HZ LYS 78 14.485 -3.034 -7.557 635 HZ3 LYS 78 2HZ LYS 78 13.518 -4.192 -8.320 636 H GLU 79 H GLU 79 15.492 -4.342 -4.394 637 HA GLU 79 HA GLU 79 18.407 -4.663 -3.974 638 HB2 GLU 79 1HB GLU 79 18.633 -2.304 -4.556 639 HB3 GLU 79 2HB GLU 79 17.750 -3.161 -5.811 640 HG2 GLU 79 1HG GLU 79 16.138 -1.756 -3.703 641 HG3 GLU 79 2HG GLU 79 16.984 -0.751 -4.877 642 H ALA 80 H ALA 80 15.589 -4.107 -2.164 643 HA ALA 80 HA ALA 80 16.597 -2.247 -0.213 644 HB1 ALA 80 3HB ALA 80 14.563 -2.786 1.057 645 HB2 ALA 80 1HB ALA 80 14.228 -4.134 -0.037 646 HB3 ALA 80 2HB ALA 80 14.193 -2.476 -0.639 Start of MODEL 20 1 H MET 1 H MET 1 -10.005 -5.797 5.800 2 HA MET 1 HA MET 1 -9.475 -5.131 3.572 3 HB2 MET 1 1HB MET 1 -9.451 -2.326 4.757 4 HB3 MET 1 2HB MET 1 -8.849 -2.743 3.152 5 HG2 MET 1 1HG MET 1 -11.021 -1.830 2.921 6 HG3 MET 1 2HG MET 1 -11.128 -3.544 2.564 7 HE1 MET 1 3HE MET 1 -14.624 -2.990 4.150 8 HE2 MET 1 1HE MET 1 -13.714 -3.658 2.793 9 HE3 MET 1 2HE MET 1 -13.763 -1.911 3.053 10 H SER 2 H SER 2 -7.414 -5.686 3.239 11 HA SER 2 HA SER 2 -5.374 -5.102 5.311 12 HG SER 2 HG SER 2 -6.310 -7.103 6.331 13 HB2 SER 2 1HB SER 2 -5.632 -7.637 3.621 14 HB3 SER 2 2HB SER 2 -4.438 -7.331 4.889 15 H ALA 3 H ALA 3 -3.638 -4.017 4.534 16 HA ALA 3 HA ALA 3 -3.430 -3.564 1.614 17 HB1 ALA 3 3HB ALA 3 -2.452 -1.864 3.938 18 HB2 ALA 3 1HB ALA 3 -3.854 -1.537 2.914 19 HB3 ALA 3 2HB ALA 3 -2.231 -1.487 2.227 20 H LYS 4 H LYS 4 -1.605 -4.239 0.585 21 HA LYS 4 HA LYS 4 0.658 -5.203 2.215 22 HB2 LYS 4 1HB LYS 4 1.266 -6.750 0.385 23 HB3 LYS 4 2HB LYS 4 -0.318 -7.119 1.050 24 HG2 LYS 4 1HG LYS 4 -1.418 -6.145 -0.873 25 HG3 LYS 4 2HG LYS 4 0.127 -5.592 -1.530 26 HD2 LYS 4 1HD LYS 4 0.857 -7.928 -1.828 27 HD3 LYS 4 2HD LYS 4 -0.647 -8.513 -1.106 28 HE2 LYS 4 1HE LYS 4 -1.926 -7.538 -2.974 29 HE3 LYS 4 2HE LYS 4 -0.434 -6.914 -3.681 30 HZ1 LYS 4 3HZ LYS 4 -1.136 -8.953 -4.743 31 HZ2 LYS 4 1HZ LYS 4 -1.084 -9.782 -3.268 32 HZ3 LYS 4 2HZ LYS 4 0.342 -9.184 -3.954 33 H ILE 5 H ILE 5 2.451 -4.095 1.978 34 HA ILE 5 HA ILE 5 2.684 -2.160 -0.262 35 HB ILE 5 HB ILE 5 4.026 -1.929 2.475 36 HG12 ILE 5 1HG1 ILE 5 2.563 0.304 2.479 37 HG13 ILE 5 2HG1 ILE 5 1.559 -0.579 1.341 38 HG21 ILE 5 1HG2 ILE 5 5.449 -1.074 0.670 39 HG22 ILE 5 2HG2 ILE 5 4.854 0.265 1.656 40 HG23 ILE 5 3HG2 ILE 5 4.132 -0.054 0.078 41 HD11 ILE 5 3HD1 ILE 5 1.158 -2.294 3.010 42 HD12 ILE 5 1HD1 ILE 5 0.700 -0.691 3.585 43 HD13 ILE 5 2HD1 ILE 5 2.200 -1.427 4.145 44 H TYR 6 H TYR 6 4.255 -2.647 -1.606 45 HA TYR 6 HA TYR 6 6.545 -4.281 -0.877 46 HD1 TYR 6 HD2 TYR 6 2.565 -4.961 -1.752 47 HD2 TYR 6 HD1 TYR 6 5.355 -5.657 -4.931 48 HE1 TYR 6 HE2 TYR 6 0.748 -4.754 -3.392 49 HE2 TYR 6 HE1 TYR 6 3.524 -5.450 -6.563 50 HH TYR 6 HH TYR 6 0.423 -4.244 -5.743 51 HB2 TYR 6 1HB TYR 6 6.048 -6.001 -2.628 52 HB3 TYR 6 2HB TYR 6 4.861 -6.027 -1.334 53 H ARG 7 H ARG 7 7.898 -4.568 -2.879 54 HA ARG 7 HA ARG 7 7.522 -2.463 -4.905 55 HE ARG 7 HE ARG 7 12.241 -0.325 -5.980 56 HB2 ARG 7 1HB ARG 7 8.974 -1.598 -3.061 57 HB3 ARG 7 2HB ARG 7 10.091 -2.923 -3.337 58 HG2 ARG 7 1HG ARG 7 10.609 -2.033 -5.581 59 HG3 ARG 7 2HG ARG 7 9.434 -0.744 -5.341 60 HD2 ARG 7 1HD ARG 7 10.721 0.199 -3.538 61 HD3 ARG 7 2HD ARG 7 11.820 -1.184 -3.529 62 HH11 ARG 7 1HH1 ARG 7 11.740 1.728 -3.197 63 HH12 ARG 7 2HH1 ARG 7 13.037 2.807 -3.589 64 HH21 ARG 7 1HH2 ARG 7 13.985 1.034 -6.463 65 HH22 ARG 7 2HH2 ARG 7 14.311 2.407 -5.460 66 HA PRO 8 HA PRO 8 8.371 -6.563 -6.720 67 HB2 PRO 8 1HB PRO 8 7.049 -6.190 -9.094 68 HB3 PRO 8 2HB PRO 8 6.219 -6.555 -7.577 69 HG2 PRO 8 1HG PRO 8 6.530 -3.925 -8.981 70 HG3 PRO 8 2HG PRO 8 5.135 -4.557 -8.083 71 HD2 PRO 8 1HD PRO 8 6.974 -2.726 -7.064 72 HD3 PRO 8 2HD PRO 8 5.942 -3.773 -6.069 73 H ALA 9 H ALA 9 9.503 -7.346 -8.692 74 HA ALA 9 HA ALA 9 11.774 -5.746 -9.410 75 HB1 ALA 9 3HB ALA 9 10.829 -8.371 -10.626 76 HB2 ALA 9 1HB ALA 9 11.921 -8.206 -9.249 77 HB3 ALA 9 2HB ALA 9 12.423 -7.638 -10.841 78 H LYS 10 H LYS 10 8.781 -6.706 -11.023 79 HA LYS 10 HA LYS 10 9.284 -5.051 -13.375 80 HB2 LYS 10 1HB LYS 10 7.047 -5.819 -14.110 81 HB3 LYS 10 2HB LYS 10 8.099 -7.165 -13.690 82 HG2 LYS 10 1HG LYS 10 6.938 -7.472 -11.561 83 HG3 LYS 10 2HG LYS 10 5.942 -6.047 -11.862 84 HD2 LYS 10 1HD LYS 10 4.766 -8.216 -12.303 85 HD3 LYS 10 2HD LYS 10 4.811 -7.140 -13.701 86 HE2 LYS 10 1HE LYS 10 6.642 -8.440 -14.684 87 HE3 LYS 10 2HE LYS 10 6.712 -9.473 -13.253 88 HZ1 LYS 10 3HZ LYS 10 4.527 -10.291 -13.736 89 HZ2 LYS 10 1HZ LYS 10 5.499 -10.488 -15.105 90 HZ3 LYS 10 2HZ LYS 10 4.358 -9.239 -15.050 91 H THR 11 H THR 11 8.138 -3.235 -13.882 92 HA THR 11 HA THR 11 6.106 -2.005 -12.254 93 HB THR 11 HB THR 11 7.619 0.205 -12.071 94 HG1 THR 11 HG1 THR 11 9.561 -0.262 -12.769 95 HG21 THR 11 3HG2 THR 11 8.280 -0.317 -9.762 96 HG22 THR 11 1HG2 THR 11 7.985 -2.033 -10.045 97 HG23 THR 11 2HG2 THR 11 6.639 -0.890 -10.081 98 H ALA 12 H ALA 12 5.981 0.497 -13.209 99 HA ALA 12 HA ALA 12 5.820 0.346 -16.089 100 HB1 ALA 12 3HB ALA 12 4.164 1.633 -14.798 101 HB2 ALA 12 1HB ALA 12 5.023 2.685 -15.925 102 HB3 ALA 12 2HB ALA 12 5.430 2.708 -14.208 103 H MET 13 H MET 13 6.752 2.576 -17.154 104 HA MET 13 HA MET 13 9.659 2.236 -17.039 105 HB2 MET 13 1HB MET 13 7.865 3.699 -19.021 106 HB3 MET 13 2HB MET 13 9.601 3.493 -19.203 107 HG2 MET 13 1HG MET 13 9.334 1.084 -19.402 108 HG3 MET 13 2HG MET 13 7.602 1.214 -19.108 109 HE1 MET 13 3HE MET 13 6.748 3.763 -20.822 110 HE2 MET 13 1HE MET 13 5.865 2.232 -20.851 111 HE3 MET 13 2HE MET 13 6.339 3.004 -22.360 112 H GLN 14 H GLN 14 10.831 4.450 -17.743 113 HA GLN 14 HA GLN 14 10.687 6.288 -15.570 114 HB2 GLN 14 1HB GLN 14 12.065 6.635 -18.274 115 HB3 GLN 14 2HB GLN 14 12.355 7.612 -16.836 116 HG2 GLN 14 1HG GLN 14 13.162 5.553 -15.667 117 HG3 GLN 14 2HG GLN 14 12.991 4.668 -17.183 118 HE21 GLN 14 2HE2 GLN 14 15.379 5.105 -15.614 119 HE22 GLN 14 1HE2 GLN 14 16.504 5.924 -16.638 120 H SER 15 H SER 15 9.087 7.741 -15.295 121 HA SER 15 HA SER 15 8.006 9.356 -17.427 122 HG SER 15 HG SER 15 7.102 6.400 -15.730 123 HB2 SER 15 1HB SER 15 5.655 8.422 -17.126 124 HB3 SER 15 2HB SER 15 6.777 7.305 -17.905 125 H GLY 16 H GLY 16 6.014 10.600 -16.551 126 HA2 GLY 16 1HA GLY 16 6.548 11.804 -13.993 127 HA3 GLY 16 2HA GLY 16 5.184 12.123 -15.054 128 H THR 17 H THR 17 4.549 9.173 -15.113 129 HA THR 17 HA THR 17 2.840 9.111 -12.761 130 HB THR 17 HB THR 17 1.933 8.474 -14.987 131 HG1 THR 17 HG1 THR 17 0.622 7.049 -14.078 132 HG21 THR 17 3HG2 THR 17 3.882 7.278 -15.949 133 HG22 THR 17 1HG2 THR 17 2.424 6.281 -15.992 134 HG23 THR 17 2HG2 THR 17 3.663 5.982 -14.771 135 H ALA 18 H ALA 18 5.870 7.635 -13.760 136 HA ALA 18 HA ALA 18 6.010 6.131 -11.221 137 HB1 ALA 18 3HB ALA 18 6.619 4.850 -13.915 138 HB2 ALA 18 1HB ALA 18 5.210 4.512 -12.908 139 HB3 ALA 18 2HB ALA 18 6.823 4.093 -12.330 140 H LYS 19 H LYS 19 7.900 6.432 -10.233 141 HA LYS 19 HA LYS 19 10.177 7.740 -11.500 142 HB2 LYS 19 1HB LYS 19 9.779 6.740 -8.647 143 HB3 LYS 19 2HB LYS 19 11.140 7.709 -9.186 144 HG2 LYS 19 1HG LYS 19 8.298 8.715 -9.433 145 HG3 LYS 19 2HG LYS 19 9.205 8.877 -7.927 146 HD2 LYS 19 1HD LYS 19 10.894 10.241 -9.004 147 HD3 LYS 19 2HD LYS 19 10.202 9.933 -10.600 148 HE2 LYS 19 1HE LYS 19 9.676 12.206 -9.656 149 HE3 LYS 19 2HE LYS 19 8.254 11.259 -10.089 150 HZ1 LYS 19 3HZ LYS 19 9.344 11.512 -7.340 151 HZ2 LYS 19 1HZ LYS 19 7.927 10.712 -7.789 152 HZ3 LYS 19 2HZ LYS 19 8.031 12.392 -7.942 153 H THR 20 H THR 20 10.001 5.558 -12.899 154 HA THR 20 HA THR 20 11.065 3.795 -13.771 155 HB THR 20 HB THR 20 13.176 4.254 -11.628 156 HG1 THR 20 HG1 THR 20 12.703 6.012 -13.131 157 HG21 THR 20 3HG2 THR 20 14.724 3.082 -13.165 158 HG22 THR 20 1HG2 THR 20 13.388 2.730 -14.255 159 HG23 THR 20 2HG2 THR 20 13.424 2.004 -12.644 160 H ASN 21 H ASN 21 11.775 3.220 -10.264 161 HA ASN 21 HA ASN 21 9.853 0.987 -10.218 162 HB2 ASN 21 1HB ASN 21 12.156 0.043 -10.754 163 HB3 ASN 21 2HB ASN 21 12.712 0.644 -9.198 164 HD21 ASN 21 2HD2 ASN 21 10.756 -1.735 -10.832 165 HD22 ASN 21 1HD2 ASN 21 10.450 -2.731 -9.459 166 H VAL 22 H VAL 22 8.566 1.397 -8.549 167 HA VAL 22 HA VAL 22 9.593 2.565 -6.036 168 HB VAL 22 HB VAL 22 7.477 3.952 -5.874 169 HG11 VAL 22 1HG1 VAL 22 9.312 4.641 -8.186 170 HG12 VAL 22 2HG1 VAL 22 9.620 4.977 -6.481 171 HG13 VAL 22 3HG1 VAL 22 8.280 5.777 -7.309 172 HG21 VAL 22 3HG2 VAL 22 6.201 4.458 -7.940 173 HG22 VAL 22 1HG2 VAL 22 6.093 2.743 -7.530 174 HG23 VAL 22 2HG2 VAL 22 7.160 3.273 -8.833 175 H TRP 23 H TRP 23 7.336 2.635 -4.562 176 HA TRP 23 HA TRP 23 6.936 -0.213 -4.036 177 HD1 TRP 23 HD1 TRP 23 9.114 2.868 -2.748 178 HE1 TRP 23 HE1 TRP 23 11.164 2.032 -1.437 179 HE3 TRP 23 HE3 TRP 23 7.064 -1.307 -0.592 180 HZ2 TRP 23 HZ2 TRP 23 11.835 -0.123 0.262 181 HZ3 TRP 23 HZ3 TRP 23 8.480 -2.707 0.859 182 HH2 TRP 23 HH2 TRP 23 10.820 -2.123 1.278 183 HB2 TRP 23 1HB TRP 23 6.408 2.261 -2.311 184 HB3 TRP 23 2HB TRP 23 6.091 0.604 -1.805 185 H VAL 24 H VAL 24 5.019 -1.133 -4.485 186 HA VAL 24 HA VAL 24 2.686 0.540 -5.146 187 HB VAL 24 HB VAL 24 3.030 -2.473 -5.580 188 HG11 VAL 24 1HG1 VAL 24 0.976 -0.530 -6.725 189 HG12 VAL 24 2HG1 VAL 24 0.670 -1.763 -5.500 190 HG13 VAL 24 3HG1 VAL 24 1.106 -2.243 -7.140 191 HG21 VAL 24 3HG2 VAL 24 3.486 -1.970 -7.963 192 HG22 VAL 24 1HG2 VAL 24 4.726 -1.283 -6.912 193 HG23 VAL 24 2HG2 VAL 24 3.481 -0.242 -7.606 194 H LEU 25 H LEU 25 0.896 0.455 -3.915 195 HA LEU 25 HA LEU 25 0.744 -1.304 -1.546 196 HG LEU 25 HG LEU 25 -0.174 -0.179 0.649 197 HB2 LEU 25 1HB LEU 25 0.908 1.235 -1.144 198 HB3 LEU 25 2HB LEU 25 -0.650 1.400 -1.931 199 HD11 LEU 25 1HD1 LEU 25 -1.245 1.672 1.813 200 HD12 LEU 25 2HD1 LEU 25 -1.351 2.587 0.304 201 HD13 LEU 25 3HD1 LEU 25 0.224 2.193 0.998 202 HD21 LEU 25 3HD2 LEU 25 -2.792 0.611 -0.681 203 HD22 LEU 25 1HD2 LEU 25 -2.634 -0.106 0.927 204 HD23 LEU 25 2HD2 LEU 25 -2.154 -1.025 -0.494 205 H GLU 26 H GLU 26 -0.516 -2.930 -2.162 206 HA GLU 26 HA GLU 26 -2.960 -2.367 -3.780 207 HB2 GLU 26 1HB GLU 26 -1.218 -3.869 -4.872 208 HB3 GLU 26 2HB GLU 26 -1.491 -5.035 -3.586 209 HG2 GLU 26 1HG GLU 26 -3.866 -5.227 -4.279 210 HG3 GLU 26 2HG GLU 26 -3.570 -4.065 -5.573 211 H PHE 27 H PHE 27 -4.880 -2.844 -2.769 212 HA PHE 27 HA PHE 27 -4.874 -4.648 -0.468 213 HD1 PHE 27 HD1 PHE 27 -4.718 -0.806 -1.693 214 HD2 PHE 27 HD2 PHE 27 -7.661 -1.558 1.315 215 HE1 PHE 27 HE1 PHE 27 -5.790 1.341 -2.178 216 HE2 PHE 27 HE2 PHE 27 -8.730 0.591 0.802 217 HZ PHE 27 HZ PHE 27 -7.789 2.045 -0.940 218 HB2 PHE 27 1HB PHE 27 -5.928 -3.092 1.057 219 HB3 PHE 27 2HB PHE 27 -4.405 -2.435 0.497 220 H ASP 28 H ASP 28 -6.821 -5.446 0.186 221 HA ASP 28 HA ASP 28 -9.116 -5.637 -1.452 222 HB2 ASP 28 1HB ASP 28 -8.652 -7.143 0.456 223 HB3 ASP 28 2HB ASP 28 -8.764 -5.803 1.588 224 H ALA 29 H ALA 29 -10.324 -3.846 -2.071 225 HA ALA 29 HA ALA 29 -9.657 -1.268 -1.268 226 HB1 ALA 29 3HB ALA 29 -10.636 -1.790 -3.437 227 HB2 ALA 29 1HB ALA 29 -11.540 -0.511 -2.624 228 HB3 ALA 29 2HB ALA 29 -12.184 -2.158 -2.673 229 H GLU 30 H GLU 30 -10.536 0.261 -0.016 230 HA GLU 30 HA GLU 30 -12.181 -0.429 2.250 231 HB2 GLU 30 1HB GLU 30 -11.761 1.923 2.938 232 HB3 GLU 30 2HB GLU 30 -10.268 1.111 2.479 233 HG2 GLU 30 1HG GLU 30 -10.364 2.209 0.254 234 HG3 GLU 30 2HG GLU 30 -11.828 3.057 0.752 235 H VAL 31 H VAL 31 -13.247 -0.227 -0.686 236 HA VAL 31 HA VAL 31 -15.766 1.088 -0.181 237 HB VAL 31 HB VAL 31 -14.338 2.996 -0.906 238 HG11 VAL 31 1HG1 VAL 31 -13.827 1.450 -3.475 239 HG12 VAL 31 2HG1 VAL 31 -12.644 1.779 -2.207 240 HG13 VAL 31 3HG1 VAL 31 -13.319 3.110 -3.149 241 HG21 VAL 31 3HG2 VAL 31 -16.355 2.215 -3.055 242 HG22 VAL 31 1HG2 VAL 31 -15.729 3.843 -2.785 243 HG23 VAL 31 2HG2 VAL 31 -16.715 3.060 -1.549 244 HA PRO 32 HA PRO 32 -16.805 -2.239 -3.203 245 HB2 PRO 32 1HB PRO 32 -19.441 -1.640 -3.599 246 HB3 PRO 32 2HB PRO 32 -18.875 -2.420 -2.113 247 HG2 PRO 32 1HG PRO 32 -19.429 0.508 -2.617 248 HG3 PRO 32 2HG PRO 32 -19.970 -0.508 -1.260 249 HD2 PRO 32 1HD PRO 32 -17.821 1.124 -1.016 250 HD3 PRO 32 2HD PRO 32 -17.862 -0.462 -0.216 251 H ARG 33 H ARG 33 -18.043 -2.175 -5.431 252 HA ARG 33 HA ARG 33 -17.088 -0.235 -7.244 253 HE ARG 33 HE ARG 33 -22.520 -2.398 -6.776 254 HB2 ARG 33 1HB ARG 33 -18.500 -1.260 -8.885 255 HB3 ARG 33 2HB ARG 33 -18.045 -2.564 -7.801 256 HG2 ARG 33 1HG ARG 33 -20.714 -1.104 -7.777 257 HG3 ARG 33 2HG ARG 33 -20.423 -2.682 -8.505 258 HD2 ARG 33 1HD ARG 33 -20.098 -3.703 -6.371 259 HD3 ARG 33 2HD ARG 33 -19.971 -2.142 -5.559 260 HH11 ARG 33 1HH1 ARG 33 -20.706 -3.565 -3.999 261 HH12 ARG 33 2HH1 ARG 33 -22.124 -3.908 -3.064 262 HH21 ARG 33 1HH2 ARG 33 -24.368 -2.849 -5.533 263 HH22 ARG 33 2HH2 ARG 33 -24.196 -3.524 -3.943 264 H LYS 34 H LYS 34 -19.760 -0.263 -5.050 265 HA LYS 34 HA LYS 34 -21.449 1.598 -6.447 266 HB2 LYS 34 1HB LYS 34 -22.400 -0.315 -5.176 267 HB3 LYS 34 2HB LYS 34 -21.702 0.317 -3.692 268 HG2 LYS 34 1HG LYS 34 -24.108 0.771 -3.815 269 HG3 LYS 34 2HG LYS 34 -23.177 2.273 -3.795 270 HD2 LYS 34 1HD LYS 34 -23.441 2.465 -6.255 271 HD3 LYS 34 2HD LYS 34 -24.372 0.962 -6.275 272 HE2 LYS 34 1HE LYS 34 -25.821 2.963 -6.370 273 HE3 LYS 34 2HE LYS 34 -26.125 2.012 -4.916 274 HZ1 LYS 34 3HZ LYS 34 -24.828 3.570 -3.636 275 HZ2 LYS 34 1HZ LYS 34 -26.018 4.416 -4.488 276 HZ3 LYS 34 2HZ LYS 34 -24.413 4.446 -5.020 277 H ILE 35 H ILE 35 -20.159 3.487 -6.512 278 HA ILE 35 HA ILE 35 -20.201 5.075 -4.022 279 HB ILE 35 HB ILE 35 -19.193 6.911 -5.552 280 HG12 ILE 35 1HG1 ILE 35 -18.637 4.550 -7.435 281 HG13 ILE 35 2HG1 ILE 35 -19.798 5.832 -7.762 282 HG21 ILE 35 1HG2 ILE 35 -17.537 4.403 -5.077 283 HG22 ILE 35 2HG2 ILE 35 -17.857 5.678 -3.901 284 HG23 ILE 35 3HG2 ILE 35 -16.896 6.031 -5.336 285 HD11 ILE 35 3HD1 ILE 35 -17.722 6.179 -8.980 286 HD12 ILE 35 1HD1 ILE 35 -16.814 6.191 -7.468 287 HD13 ILE 35 2HD1 ILE 35 -17.980 7.472 -7.810 288 H ASP 36 H ASP 36 -20.947 6.941 -6.885 289 HA ASP 36 HA ASP 36 -23.806 6.787 -6.628 290 HB2 ASP 36 1HB ASP 36 -22.000 7.785 -8.887 291 HB3 ASP 36 2HB ASP 36 -23.756 7.902 -8.935 292 HA PRO 37 HA PRO 37 -24.598 2.993 -8.960 293 HB2 PRO 37 1HB PRO 37 -26.793 3.656 -10.503 294 HB3 PRO 37 2HB PRO 37 -26.878 3.330 -8.769 295 HG2 PRO 37 1HG PRO 37 -26.691 5.992 -10.181 296 HG3 PRO 37 2HG PRO 37 -27.793 5.500 -8.875 297 HD2 PRO 37 1HD PRO 37 -25.602 6.945 -8.330 298 HD3 PRO 37 2HD PRO 37 -26.111 5.641 -7.232 299 H ILE 38 H ILE 38 -23.563 5.812 -10.503 300 HA ILE 38 HA ILE 38 -23.534 5.348 -13.224 301 HB ILE 38 HB ILE 38 -21.421 6.739 -11.512 302 HG12 ILE 38 1HG1 ILE 38 -23.687 7.722 -11.281 303 HG13 ILE 38 2HG1 ILE 38 -22.605 8.842 -12.097 304 HG21 ILE 38 1HG2 ILE 38 -20.728 7.962 -13.570 305 HG22 ILE 38 2HG2 ILE 38 -21.802 6.939 -14.526 306 HG23 ILE 38 3HG2 ILE 38 -20.422 6.226 -13.690 307 HD11 ILE 38 3HD1 ILE 38 -24.822 8.848 -13.083 308 HD12 ILE 38 1HD1 ILE 38 -24.702 7.120 -13.419 309 HD13 ILE 38 2HD1 ILE 38 -23.632 8.258 -14.242 310 H MET 39 H MET 39 -21.327 4.009 -10.751 311 HA MET 39 HA MET 39 -19.625 2.708 -12.727 312 HB2 MET 39 1HB MET 39 -19.608 2.644 -9.696 313 HB3 MET 39 2HB MET 39 -18.521 1.663 -10.667 314 HG2 MET 39 1HG MET 39 -17.658 3.799 -11.705 315 HG3 MET 39 2HG MET 39 -18.631 4.680 -10.524 316 HE1 MET 39 3HE MET 39 -15.096 1.903 -9.352 317 HE2 MET 39 1HE MET 39 -15.590 2.190 -11.020 318 HE3 MET 39 2HE MET 39 -16.631 1.261 -9.939 319 H GLY 40 H GLY 40 -21.811 1.788 -13.525 320 HA2 GLY 40 1HA GLY 40 -22.746 -0.125 -14.292 321 HA3 GLY 40 2HA GLY 40 -21.462 -0.996 -13.481 322 H TYR 41 H TYR 41 -23.393 0.932 -11.384 323 HA TYR 41 HA TYR 41 -24.626 0.448 -9.560 324 HD1 TYR 41 HD1 TYR 41 -25.662 0.305 -13.087 325 HD2 TYR 41 HD2 TYR 41 -28.173 0.389 -9.628 326 HE1 TYR 41 HE1 TYR 41 -27.038 2.051 -14.127 327 HE2 TYR 41 HE2 TYR 41 -29.547 2.139 -10.669 328 HH TYR 41 HH TYR 41 -29.293 2.962 -13.972 329 HB2 TYR 41 1HB TYR 41 -25.846 -1.694 -11.352 330 HB3 TYR 41 2HB TYR 41 -26.475 -1.268 -9.765 331 H THR 42 H THR 42 -24.263 -2.907 -10.730 332 HA THR 42 HA THR 42 -21.984 -3.420 -9.015 333 HB THR 42 HB THR 42 -23.723 -3.930 -7.417 334 HG1 THR 42 HG1 THR 42 -21.872 -5.591 -8.096 335 HG21 THR 42 3HG2 THR 42 -25.649 -4.331 -8.891 336 HG22 THR 42 1HG2 THR 42 -25.443 -5.658 -7.745 337 HG23 THR 42 2HG2 THR 42 -24.940 -5.857 -9.424 338 H SER 43 H SER 43 -20.575 -4.435 -10.257 339 HA SER 43 HA SER 43 -21.262 -5.462 -12.842 340 HG SER 43 HG SER 43 -19.831 -3.563 -13.032 341 HB2 SER 43 1HB SER 43 -18.593 -5.504 -11.372 342 HB3 SER 43 2HB SER 43 -18.834 -5.747 -13.108 343 H SER 44 H SER 44 -19.970 -6.951 -9.847 344 HA SER 44 HA SER 44 -21.083 -9.556 -10.538 345 HG SER 44 HG SER 44 -19.772 -11.426 -10.599 346 HB2 SER 44 1HB SER 44 -18.839 -9.455 -11.683 347 HB3 SER 44 2HB SER 44 -18.071 -9.221 -10.111 348 H SER 45 H SER 45 -21.978 -7.985 -8.545 349 HA SER 45 HA SER 45 -22.502 -7.846 -6.343 350 HG SER 45 HG SER 45 -23.152 -10.149 -7.813 351 HB2 SER 45 1HB SER 45 -21.398 -10.699 -6.251 352 HB3 SER 45 2HB SER 45 -22.484 -9.967 -5.066 353 H ASP 46 H ASP 46 -20.504 -6.356 -6.661 354 HA ASP 46 HA ASP 46 -18.015 -7.266 -5.440 355 HB2 ASP 46 1HB ASP 46 -18.313 -4.436 -6.454 356 HB3 ASP 46 2HB ASP 46 -16.958 -5.547 -6.603 357 H MET 47 H MET 47 -18.823 -7.443 -3.268 358 HA MET 47 HA MET 47 -19.838 -5.347 -1.681 359 HB2 MET 47 1HB MET 47 -19.834 -7.695 -0.925 360 HB3 MET 47 2HB MET 47 -18.075 -7.700 -0.863 361 HG2 MET 47 1HG MET 47 -19.045 -7.513 1.378 362 HG3 MET 47 2HG MET 47 -18.132 -6.060 0.972 363 HE1 MET 47 3HE MET 47 -21.829 -7.121 -0.148 364 HE2 MET 47 1HE MET 47 -22.760 -6.280 1.091 365 HE3 MET 47 2HE MET 47 -21.702 -7.617 1.541 366 H LYS 48 H LYS 48 -16.575 -6.201 -2.601 367 HA LYS 48 HA LYS 48 -15.790 -3.407 -2.287 368 HB2 LYS 48 1HB LYS 48 -13.640 -3.899 -1.273 369 HB3 LYS 48 2HB LYS 48 -14.892 -4.585 -0.251 370 HG2 LYS 48 1HG LYS 48 -13.346 -6.239 -2.262 371 HG3 LYS 48 2HG LYS 48 -12.795 -5.996 -0.609 372 HD2 LYS 48 1HD LYS 48 -15.424 -7.298 -1.409 373 HD3 LYS 48 2HD LYS 48 -13.961 -8.163 -0.934 374 HE2 LYS 48 1HE LYS 48 -15.600 -6.304 0.819 375 HE3 LYS 48 2HE LYS 48 -15.523 -8.061 0.933 376 HZ1 LYS 48 3HZ LYS 48 -13.131 -7.840 1.442 377 HZ2 LYS 48 1HZ LYS 48 -14.116 -7.097 2.599 378 HZ3 LYS 48 2HZ LYS 48 -13.297 -6.161 1.455 379 H GLN 49 H GLN 49 -14.075 -2.852 -3.759 380 HA GLN 49 HA GLN 49 -13.619 -4.754 -5.991 381 HB2 GLN 49 1HB GLN 49 -12.897 -2.757 -7.268 382 HB3 GLN 49 2HB GLN 49 -14.515 -2.535 -6.614 383 HG2 GLN 49 1HG GLN 49 -13.593 -1.121 -4.804 384 HG3 GLN 49 2HG GLN 49 -11.973 -1.347 -5.462 385 HE21 GLN 49 2HE2 GLN 49 -15.036 0.261 -5.894 386 HE22 GLN 49 1HE2 GLN 49 -14.520 1.353 -7.126 387 H GLN 50 H GLN 50 -11.125 -3.761 -6.884 388 HA GLN 50 HA GLN 50 -9.322 -3.921 -4.536 389 HB2 GLN 50 1HB GLN 50 -7.592 -4.907 -6.050 390 HB3 GLN 50 2HB GLN 50 -8.996 -5.929 -5.838 391 HG2 GLN 50 1HG GLN 50 -8.641 -6.194 -8.097 392 HG3 GLN 50 2HG GLN 50 -9.773 -4.847 -8.125 393 HE21 GLN 50 2HE2 GLN 50 -9.071 -2.857 -8.930 394 HE22 GLN 50 1HE2 GLN 50 -7.513 -2.624 -9.642 395 H VAL 51 H VAL 51 -7.662 -2.427 -4.431 396 HA VAL 51 HA VAL 51 -7.465 -0.349 -6.529 397 HB VAL 51 HB VAL 51 -7.685 0.235 -3.528 398 HG11 VAL 51 1HG1 VAL 51 -7.512 2.645 -4.107 399 HG12 VAL 51 2HG1 VAL 51 -7.209 2.216 -5.792 400 HG13 VAL 51 3HG1 VAL 51 -6.047 1.761 -4.545 401 HG21 VAL 51 3HG2 VAL 51 -9.893 -0.189 -4.529 402 HG22 VAL 51 1HG2 VAL 51 -9.591 1.034 -5.765 403 HG23 VAL 51 2HG2 VAL 51 -9.738 1.505 -4.069 404 H LYS 52 H LYS 52 -5.415 0.453 -6.830 405 HA LYS 52 HA LYS 52 -3.313 -0.235 -4.895 406 HB2 LYS 52 1HB LYS 52 -1.725 -0.846 -6.684 407 HB3 LYS 52 2HB LYS 52 -3.104 -1.935 -6.615 408 HG2 LYS 52 1HG LYS 52 -4.111 -0.774 -8.565 409 HG3 LYS 52 2HG LYS 52 -2.705 0.290 -8.645 410 HD2 LYS 52 1HD LYS 52 -2.561 -1.536 -10.305 411 HD3 LYS 52 2HD LYS 52 -1.248 -1.632 -9.126 412 HE2 LYS 52 1HE LYS 52 -2.239 -3.855 -9.643 413 HE3 LYS 52 2HE LYS 52 -2.399 -3.430 -7.940 414 HZ1 LYS 52 3HZ LYS 52 -4.694 -2.790 -8.362 415 HZ2 LYS 52 1HZ LYS 52 -4.428 -4.396 -8.816 416 HZ3 LYS 52 2HZ LYS 52 -4.531 -3.190 -9.991 417 H LEU 53 H LEU 53 -1.934 1.267 -4.490 418 HA LEU 53 HA LEU 53 -1.855 3.798 -6.033 419 HG LEU 53 HG LEU 53 -3.072 4.893 -2.505 420 HB2 LEU 53 1HB LEU 53 -1.057 3.482 -3.103 421 HB3 LEU 53 2HB LEU 53 -1.265 4.968 -3.997 422 HD11 LEU 53 1HD1 LEU 53 -5.089 4.767 -3.826 423 HD12 LEU 53 2HD1 LEU 53 -4.237 3.883 -5.096 424 HD13 LEU 53 3HD1 LEU 53 -3.791 5.552 -4.726 425 HD21 LEU 53 3HD2 LEU 53 -3.620 2.005 -3.245 426 HD22 LEU 53 1HD2 LEU 53 -4.558 2.989 -2.115 427 HD23 LEU 53 2HD2 LEU 53 -2.882 2.589 -1.750 428 H THR 54 H THR 54 0.309 4.728 -6.228 429 HA THR 54 HA THR 54 2.566 2.974 -5.437 430 HB THR 54 HB THR 54 3.812 4.037 -7.443 431 HG1 THR 54 HG1 THR 54 1.119 4.632 -8.162 432 HG21 THR 54 3HG2 THR 54 2.925 2.399 -9.060 433 HG22 THR 54 1HG2 THR 54 1.497 2.156 -8.051 434 HG23 THR 54 2HG2 THR 54 3.089 1.668 -7.462 435 H PHE 55 H PHE 55 4.038 3.836 -4.222 436 HA PHE 55 HA PHE 55 4.283 6.753 -3.803 437 HD1 PHE 55 HD1 PHE 55 2.106 3.750 -1.975 438 HD2 PHE 55 HD2 PHE 55 2.866 7.900 -1.269 439 HE1 PHE 55 HE1 PHE 55 -0.253 4.093 -1.396 440 HE2 PHE 55 HE2 PHE 55 0.497 8.228 -0.699 441 HZ PHE 55 HZ PHE 55 -1.063 6.320 -0.758 442 HB2 PHE 55 1HB PHE 55 4.410 4.574 -1.661 443 HB3 PHE 55 2HB PHE 55 4.724 6.283 -1.393 444 H GLU 56 H GLU 56 6.417 7.431 -3.250 445 HA GLU 56 HA GLU 56 8.466 6.004 -4.671 446 HB2 GLU 56 1HB GLU 56 8.625 8.549 -3.003 447 HB3 GLU 56 2HB GLU 56 9.934 7.924 -4.007 448 HG2 GLU 56 1HG GLU 56 8.503 8.144 -6.010 449 HG3 GLU 56 2HG GLU 56 7.211 8.816 -5.010 450 H THR 57 H THR 57 7.549 6.234 -1.326 451 HA THR 57 HA THR 57 9.755 4.417 -0.557 452 HB THR 57 HB THR 57 9.890 5.468 1.672 453 HG1 THR 57 HG1 THR 57 8.715 7.300 2.180 454 HG21 THR 57 3HG2 THR 57 10.961 7.611 1.101 455 HG22 THR 57 1HG2 THR 57 10.245 7.555 -0.510 456 HG23 THR 57 2HG2 THR 57 11.442 6.348 -0.032 457 H GLN 58 H GLN 58 9.206 2.959 1.166 458 HA GLN 58 HA GLN 58 6.612 1.947 1.328 459 HB2 GLN 58 1HB GLN 58 8.672 0.686 1.958 460 HB3 GLN 58 2HB GLN 58 8.852 1.706 3.385 461 HG2 GLN 58 1HG GLN 58 6.588 0.865 4.152 462 HG3 GLN 58 2HG GLN 58 6.628 -0.273 2.807 463 HE21 GLN 58 2HE2 GLN 58 7.995 0.565 5.893 464 HE22 GLN 58 1HE2 GLN 58 8.820 -0.929 6.153 465 H GLU 59 H GLU 59 8.317 4.336 3.293 466 HA GLU 59 HA GLU 59 6.695 4.459 5.541 467 HB2 GLU 59 1HB GLU 59 8.251 6.759 4.284 468 HB3 GLU 59 2HB GLU 59 7.562 6.778 5.902 469 HG2 GLU 59 1HG GLU 59 9.839 6.321 6.229 470 HG3 GLU 59 2HG GLU 59 9.045 4.760 6.419 471 H GLN 60 H GLN 60 6.339 6.152 2.438 472 HA GLN 60 HA GLN 60 4.166 7.856 3.208 473 HB2 GLN 60 1HB GLN 60 5.130 6.935 0.466 474 HB3 GLN 60 2HB GLN 60 3.883 8.153 0.714 475 HG2 GLN 60 1HG GLN 60 5.472 9.638 1.798 476 HG3 GLN 60 2HG GLN 60 6.736 8.411 1.707 477 HE21 GLN 60 2HE2 GLN 60 7.681 7.955 -0.324 478 HE22 GLN 60 1HE2 GLN 60 7.538 9.050 -1.653 479 H ALA 61 H ALA 61 4.360 4.517 1.992 480 HA ALA 61 HA ALA 61 1.588 4.346 1.202 481 HB1 ALA 61 3HB ALA 61 3.355 3.166 -0.031 482 HB2 ALA 61 1HB ALA 61 2.181 2.027 0.631 483 HB3 ALA 61 2HB ALA 61 3.757 2.225 1.408 484 H GLU 62 H GLU 62 3.627 3.087 3.809 485 HA GLU 62 HA GLU 62 1.563 1.692 5.138 486 HB2 GLU 62 1HB GLU 62 3.097 1.510 7.055 487 HB3 GLU 62 2HB GLU 62 3.902 1.113 5.540 488 HG2 GLU 62 1HG GLU 62 5.053 3.217 5.515 489 HG3 GLU 62 2HG GLU 62 4.133 3.809 6.897 490 H ALA 63 H ALA 63 2.903 4.974 5.532 491 HA ALA 63 HA ALA 63 1.317 5.824 7.684 492 HB1 ALA 63 3HB ALA 63 1.823 8.120 6.967 493 HB2 ALA 63 1HB ALA 63 2.381 7.525 5.398 494 HB3 ALA 63 2HB ALA 63 3.262 7.105 6.866 495 H TYR 64 H TYR 64 0.522 5.568 4.223 496 HA TYR 64 HA TYR 64 -1.943 6.990 4.238 497 HD1 TYR 64 HD1 TYR 64 -3.277 7.553 1.773 498 HD2 TYR 64 HD2 TYR 64 -2.806 3.307 1.875 499 HE1 TYR 64 HE1 TYR 64 -5.471 7.281 0.703 500 HE2 TYR 64 HE2 TYR 64 -4.997 3.032 0.799 501 HH TYR 64 HH TYR 64 -7.121 4.329 0.594 502 HB2 TYR 64 1HB TYR 64 -0.961 6.416 2.085 503 HB3 TYR 64 2HB TYR 64 -0.939 4.704 2.477 504 H ALA 65 H ALA 65 -1.312 3.480 4.408 505 HA ALA 65 HA ALA 65 -3.866 2.554 4.979 506 HB1 ALA 65 3HB ALA 65 -2.003 1.100 4.286 507 HB2 ALA 65 1HB ALA 65 -2.749 0.492 5.768 508 HB3 ALA 65 2HB ALA 65 -1.207 1.352 5.839 509 H GLN 66 H GLN 66 -1.325 3.581 7.237 510 HA GLN 66 HA GLN 66 -2.614 2.898 9.658 511 HB2 GLN 66 1HB GLN 66 -0.296 4.763 9.025 512 HB3 GLN 66 2HB GLN 66 -0.887 4.544 10.671 513 HG2 GLN 66 1HG GLN 66 -0.372 2.160 10.578 514 HG3 GLN 66 2HG GLN 66 0.145 2.310 8.901 515 HE21 GLN 66 2HE2 GLN 66 2.166 3.249 8.458 516 HE22 GLN 66 1HE2 GLN 66 3.350 3.509 9.684 517 H ARG 67 H ARG 67 -2.408 5.984 7.872 518 HA ARG 67 HA ARG 67 -3.893 7.688 9.501 519 HE ARG 67 HE ARG 67 -5.759 11.550 6.388 520 HB2 ARG 67 1HB ARG 67 -2.685 8.469 7.511 521 HB3 ARG 67 2HB ARG 67 -3.709 7.495 6.463 522 HG2 ARG 67 1HG ARG 67 -5.664 8.937 7.173 523 HG3 ARG 67 2HG ARG 67 -4.515 9.984 8.007 524 HD2 ARG 67 1HD ARG 67 -3.399 10.506 5.905 525 HD3 ARG 67 2HD ARG 67 -4.394 9.326 5.044 526 HH11 ARG 67 1HH1 ARG 67 -4.658 10.176 3.326 527 HH12 ARG 67 2HH1 ARG 67 -5.709 11.179 2.375 528 HH21 ARG 67 1HH2 ARG 67 -7.103 12.855 5.102 529 HH22 ARG 67 2HH2 ARG 67 -7.070 12.700 3.374 530 H LYS 68 H LYS 68 -4.944 5.211 7.199 531 HA LYS 68 HA LYS 68 -7.771 5.865 7.320 532 HB2 LYS 68 1HB LYS 68 -6.206 3.563 6.082 533 HB3 LYS 68 2HB LYS 68 -7.947 3.756 5.922 534 HG2 LYS 68 1HG LYS 68 -5.967 5.833 4.954 535 HG3 LYS 68 2HG LYS 68 -6.538 4.496 3.950 536 HD2 LYS 68 1HD LYS 68 -8.877 5.296 4.251 537 HD3 LYS 68 2HD LYS 68 -8.276 6.666 5.195 538 HE2 LYS 68 1HE LYS 68 -7.108 7.553 3.267 539 HE3 LYS 68 2HE LYS 68 -7.455 6.099 2.327 540 HZ1 LYS 68 3HZ LYS 68 -9.785 6.625 2.413 541 HZ2 LYS 68 1HZ LYS 68 -8.910 7.904 1.740 542 HZ3 LYS 68 2HZ LYS 68 -9.479 8.015 3.328 543 H GLY 69 H GLY 69 -5.504 3.832 9.046 544 HA2 GLY 69 1HA GLY 69 -5.895 2.527 10.934 545 HA3 GLY 69 2HA GLY 69 -7.612 2.464 10.556 546 H ILE 70 H ILE 70 -6.221 1.900 7.709 547 HA ILE 70 HA ILE 70 -6.939 -0.814 7.512 548 HB ILE 70 HB ILE 70 -5.006 0.671 5.668 549 HG12 ILE 70 1HG1 ILE 70 -7.998 0.165 5.345 550 HG13 ILE 70 2HG1 ILE 70 -7.290 1.698 5.833 551 HG21 ILE 70 1HG2 ILE 70 -4.768 -1.769 5.388 552 HG22 ILE 70 2HG2 ILE 70 -5.544 -1.058 3.975 553 HG23 ILE 70 3HG2 ILE 70 -6.514 -1.929 5.164 554 HD11 ILE 70 3HD1 ILE 70 -7.916 1.748 3.498 555 HD12 ILE 70 1HD1 ILE 70 -6.918 0.333 3.163 556 HD13 ILE 70 2HD1 ILE 70 -6.163 1.855 3.645 557 H GLU 71 H GLU 71 -6.115 -2.383 8.602 558 HA GLU 71 HA GLU 71 -3.518 -2.786 9.620 559 HB2 GLU 71 1HB GLU 71 -4.095 -5.271 9.491 560 HB3 GLU 71 2HB GLU 71 -5.266 -4.279 10.357 561 HG2 GLU 71 1HG GLU 71 -6.729 -4.261 8.362 562 HG3 GLU 71 2HG GLU 71 -5.552 -5.242 7.493 563 H TYR 72 H TYR 72 -1.549 -3.569 8.628 564 HA TYR 72 HA TYR 72 -1.623 -4.149 5.752 565 HD1 TYR 72 HD2 TYR 72 -0.973 -0.988 8.570 566 HD2 TYR 72 HD1 TYR 72 2.159 -2.182 5.921 567 HE1 TYR 72 HE2 TYR 72 0.699 0.021 10.072 568 HE2 TYR 72 HE1 TYR 72 3.813 -1.185 7.418 569 HH TYR 72 HH TYR 72 3.920 0.578 9.144 570 HB2 TYR 72 1HB TYR 72 -0.122 -2.358 5.184 571 HB3 TYR 72 2HB TYR 72 -1.422 -1.639 6.117 572 H ARG 73 H ARG 73 0.074 -5.336 5.014 573 HA ARG 73 HA ARG 73 2.254 -6.131 6.866 574 HE ARG 73 HE ARG 73 3.955 -10.792 6.362 575 HB2 ARG 73 1HB ARG 73 0.396 -7.881 6.365 576 HB3 ARG 73 2HB ARG 73 1.022 -7.937 4.729 577 HG2 ARG 73 1HG ARG 73 2.684 -8.592 7.187 578 HG3 ARG 73 2HG ARG 73 1.770 -9.793 6.285 579 HD2 ARG 73 1HD ARG 73 3.148 -9.222 4.257 580 HD3 ARG 73 2HD ARG 73 4.123 -8.156 5.278 581 HH11 ARG 73 1HH1 ARG 73 5.705 -8.927 3.947 582 HH12 ARG 73 2HH1 ARG 73 7.031 -10.041 3.883 583 HH21 ARG 73 1HH2 ARG 73 5.678 -12.238 6.254 584 HH22 ARG 73 2HH2 ARG 73 7.013 -11.919 5.200 585 H VAL 74 H VAL 74 4.053 -5.184 6.099 586 HA VAL 74 HA VAL 74 4.423 -4.556 3.280 587 HB VAL 74 HB VAL 74 6.511 -3.455 3.926 588 HG11 VAL 74 1HG1 VAL 74 4.284 -2.778 5.885 589 HG12 VAL 74 2HG1 VAL 74 4.413 -2.200 4.221 590 HG13 VAL 74 3HG1 VAL 74 5.616 -1.714 5.418 591 HG21 VAL 74 3HG2 VAL 74 7.352 -5.022 5.628 592 HG22 VAL 74 1HG2 VAL 74 6.066 -4.536 6.737 593 HG23 VAL 74 2HG2 VAL 74 7.314 -3.379 6.269 594 H ILE 75 H ILE 75 5.786 -5.514 1.879 595 HA ILE 75 HA ILE 75 7.318 -7.924 2.619 596 HB ILE 75 HB ILE 75 6.090 -7.258 -0.114 597 HG12 ILE 75 1HG1 ILE 75 4.707 -9.442 0.373 598 HG13 ILE 75 2HG1 ILE 75 5.110 -9.150 2.057 599 HG21 ILE 75 1HG2 ILE 75 6.801 -9.528 -0.803 600 HG22 ILE 75 2HG2 ILE 75 7.593 -9.753 0.757 601 HG23 ILE 75 3HG2 ILE 75 8.174 -8.512 -0.356 602 HD11 ILE 75 3HD1 ILE 75 3.557 -7.299 0.247 603 HD12 ILE 75 1HD1 ILE 75 3.954 -6.984 1.938 604 HD13 ILE 75 2HD1 ILE 75 2.898 -8.330 1.517 605 H LEU 76 H LEU 76 9.470 -7.675 2.374 606 HA LEU 76 HA LEU 76 10.672 -5.286 1.421 607 HG LEU 76 HG LEU 76 10.996 -7.137 4.135 608 HB2 LEU 76 1HB LEU 76 11.939 -7.980 2.056 609 HB3 LEU 76 2HB LEU 76 12.823 -6.486 1.791 610 HD11 LEU 76 1HD1 LEU 76 13.019 -6.854 5.493 611 HD12 LEU 76 2HD1 LEU 76 13.969 -6.556 4.034 612 HD13 LEU 76 3HD1 LEU 76 13.217 -8.132 4.293 613 HD21 LEU 76 3HD2 LEU 76 12.341 -4.483 3.516 614 HD22 LEU 76 1HD2 LEU 76 11.526 -4.895 5.031 615 HD23 LEU 76 2HD2 LEU 76 10.605 -4.807 3.533 616 HA PRO 77 HA PRO 77 11.024 -6.384 -2.920 617 HB2 PRO 77 1HB PRO 77 12.799 -4.512 -3.755 618 HB3 PRO 77 2HB PRO 77 11.172 -4.086 -3.228 619 HG2 PRO 77 1HG PRO 77 13.757 -3.860 -1.730 620 HG3 PRO 77 2HG PRO 77 12.394 -2.726 -1.784 621 HD2 PRO 77 1HD PRO 77 12.841 -4.552 0.268 622 HD3 PRO 77 2HD PRO 77 11.262 -3.837 -0.103 623 H LYS 78 H LYS 78 12.718 -6.847 -4.624 624 HA LYS 78 HA LYS 78 14.708 -8.703 -3.819 625 HB2 LYS 78 1HB LYS 78 15.266 -8.941 -6.123 626 HB3 LYS 78 2HB LYS 78 13.543 -8.615 -6.103 627 HG2 LYS 78 1HG LYS 78 15.683 -6.555 -6.740 628 HG3 LYS 78 2HG LYS 78 14.796 -7.477 -7.948 629 HD2 LYS 78 1HD LYS 78 12.678 -6.403 -7.200 630 HD3 LYS 78 2HD LYS 78 13.577 -5.482 -5.988 631 HE2 LYS 78 1HE LYS 78 14.833 -4.334 -7.761 632 HE3 LYS 78 2HE LYS 78 14.025 -5.305 -8.995 633 HZ1 LYS 78 3HZ LYS 78 11.904 -4.306 -8.248 634 HZ2 LYS 78 1HZ LYS 78 13.001 -3.175 -8.873 635 HZ3 LYS 78 2HZ LYS 78 12.777 -3.294 -7.207 636 H GLU 79 H GLU 79 14.668 -5.324 -3.946 637 HA GLU 79 HA GLU 79 17.599 -5.014 -3.717 638 HB2 GLU 79 1HB GLU 79 17.204 -2.700 -4.475 639 HB3 GLU 79 2HB GLU 79 16.514 -3.832 -5.629 640 HG2 GLU 79 1HG GLU 79 14.275 -3.454 -4.534 641 HG3 GLU 79 2HG GLU 79 15.025 -2.184 -3.573 642 H ALA 80 H ALA 80 16.155 -5.999 -1.511 643 HA ALA 80 HA ALA 80 15.104 -4.014 0.235 644 HB1 ALA 80 3HB ALA 80 14.502 -6.378 0.425 645 HB2 ALA 80 1HB ALA 80 15.149 -5.774 1.952 646 HB3 ALA 80 2HB ALA 80 16.155 -6.782 0.906
Contact the webmaster for help, if required. Monday, May 13, 2024 9:04:44 PM GMT (wattos1)