NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3149 | 1d8j | 4721 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 H1 ALA 1 15.849 19.601 1.324 2 2H ALA 1 H2 ALA 1 15.801 18.017 0.871 3 3H ALA 1 H3 ALA 1 16.754 18.484 2.134 4 HA ALA 1 HA ALA 1 14.782 17.377 2.908 5 1HB ALA 1 HB1 ALA 1 14.843 20.363 3.509 6 2HB ALA 1 HB2 ALA 1 14.081 19.105 4.511 7 3HB ALA 1 HB3 ALA 1 15.848 19.126 4.304 8 H LEU 2 H LEU 2 12.397 17.793 3.393 9 HA LEU 2 HA LEU 2 11.044 18.325 0.850 10 1HB LEU 2 HB2 LEU 2 9.945 17.547 3.588 11 2HB LEU 2 HB1 LEU 2 9.056 17.512 2.050 12 HG LEU 2 HG LEU 2 11.529 15.843 2.719 13 1HD1 LEU 2 HD1 LEU 2 9.449 15.144 3.894 14 2HD1 LEU 2 HD1 LEU 2 9.957 13.949 2.678 15 3HD1 LEU 2 HD1 LEU 2 8.608 15.056 2.328 16 1HD2 LEU 2 HD2 LEU 2 9.792 16.073 0.227 17 2HD2 LEU 2 HD2 LEU 2 10.837 14.670 0.548 18 3HD2 LEU 2 HD2 LEU 2 11.554 16.284 0.354 19 H SER 3 H SER 3 12.121 20.667 1.308 20 HA SER 3 HA SER 3 10.491 22.367 3.037 21 1HB SER 3 HB1 SER 3 11.931 24.168 1.938 22 2HB SER 3 HB2 SER 3 12.814 22.913 2.841 23 HG SER 3 HG SER 3 12.475 23.159 0.038 24 H GLY 4 H GLY 4 10.762 21.577 -0.435 25 1HA GLY 4 HA2 GLY 4 9.111 23.683 -1.421 26 2HA GLY 4 HA1 GLY 4 9.450 22.139 -2.235 27 H SER 5 H SER 5 8.311 20.178 -0.983 28 HA SER 5 HA SER 5 5.758 20.769 0.238 29 1HB SER 5 HB1 SER 5 5.364 21.309 -2.228 30 2HB SER 5 HB2 SER 5 5.679 19.592 -2.573 31 HG SER 5 HG SER 5 3.638 20.714 -0.948 32 H SER 6 H SER 6 4.403 18.443 -0.234 33 HA SER 6 HA SER 6 6.232 16.150 -0.005 34 1HB SER 6 HB1 SER 6 4.518 17.164 2.301 35 2HB SER 6 HB2 SER 6 5.120 15.493 2.201 36 HG SER 6 HG SER 6 6.886 17.666 1.884 37 H GLY 7 H GLY 7 5.227 15.221 -1.775 38 1HA GLY 7 HA1 GLY 7 2.522 14.152 -1.301 39 2HA GLY 7 HA2 GLY 7 2.719 15.211 -2.717 40 H TYR 8 H TYR 8 5.236 14.544 -3.647 41 HA TYR 8 HA TYR 8 4.796 12.248 -5.185 42 1HB TYR 8 HB1 TYR 8 6.415 13.959 -5.780 43 2HB TYR 8 HB2 TYR 8 7.369 13.623 -4.326 44 HD1 TYR 8 HD1 TYR 8 5.912 11.543 -7.129 45 HD2 TYR 8 HD2 TYR 8 9.379 12.560 -4.781 46 HE1 TYR 8 HE1 TYR 8 7.258 9.883 -8.392 47 HE2 TYR 8 HE2 TYR 8 10.721 10.897 -6.042 48 HH TYR 8 HH TYR 8 9.337 8.975 -8.727 49 H LYS 9 H LYS 9 4.795 10.142 -4.729 50 HA LYS 9 HA LYS 9 5.302 8.109 -3.801 51 1HB LYS 9 H LYS 9 7.315 9.345 -1.899 52 2HB LYS 9 H LYS 9 7.259 7.710 -2.562 53 1HG LYS 9 H LYS 9 7.476 9.083 -4.858 54 2HG LYS 9 H LYS 9 8.297 10.206 -3.754 55 1HD LYS 9 H LYS 9 8.949 7.240 -4.064 56 2HD LYS 9 H LYS 9 9.892 8.577 -4.763 57 1HE LYS 9 H LYS 9 10.361 9.460 -2.510 58 2HE LYS 9 H LYS 9 9.366 8.184 -1.779 59 1HZ LYS 9 H LYS 9 11.819 7.763 -3.336 60 2HZ LYS 9 H LYS 9 11.675 7.638 -1.698 61 3HZ LYS 9 H LYS 9 10.885 6.573 -2.678 62 H PHE 10 H PHE 10 5.646 10.614 -1.255 63 HA PHE 10 HA PHE 10 4.741 9.035 0.832 64 1HB PHE 10 HB2 PHE 10 4.264 12.016 0.700 65 2HB PHE 10 HB1 PHE 10 4.698 11.025 2.104 66 HD1 PHE 10 HD1 PHE 10 5.961 13.501 0.128 67 HD2 PHE 10 HD2 PHE 10 7.016 9.524 1.409 68 HE1 PHE 10 HE1 PHE 10 8.355 13.999 -0.299 69 HE2 PHE 10 HE2 PHE 10 9.413 10.027 0.981 70 HZ PHE 10 HZ PHE 10 10.082 12.261 0.121 71 H GLY 11 H GLY 11 2.830 11.399 -1.125 72 1HA GLY 11 HA1 GLY 11 0.374 11.048 0.233 73 2HA GLY 11 HA2 GLY 11 0.563 11.604 -1.444 74 H VAL 12 H VAL 12 1.633 9.448 -2.742 75 HA VAL 12 HA VAL 12 -0.616 7.803 -3.214 76 HB VAL 12 HB VAL 12 2.306 7.763 -3.976 77 1HG1 VAL 12 HG1 VAL 12 2.051 5.430 -3.821 78 2HG1 VAL 12 HG1 VAL 12 1.567 5.760 -5.501 79 3HG1 VAL 12 HG1 VAL 12 0.332 5.492 -4.256 80 1HG2 VAL 12 HG2 VAL 12 1.322 8.007 -6.232 81 2HG2 VAL 12 HG2 VAL 12 -0.308 7.811 -5.557 82 3HG2 VAL 12 HG2 VAL 12 0.659 9.239 -5.134 83 H LEU 13 H LEU 13 2.373 7.188 -1.286 84 HA LEU 13 HA LEU 13 1.758 4.506 -0.601 85 1HB LEU 13 HB2 LEU 13 3.980 5.467 -0.335 86 2HB LEU 13 HB1 LEU 13 3.373 6.633 0.860 87 HG LEU 13 HG LEU 13 2.792 4.789 2.398 88 1HD1 LEU 13 HD1 LEU 13 2.203 2.974 0.974 89 2HD1 LEU 13 HD1 LEU 13 3.726 3.085 0.061 90 3HD1 LEU 13 HD1 LEU 13 3.728 2.462 1.728 91 1HD2 LEU 13 HD2 LEU 13 5.086 4.036 2.908 92 2HD2 LEU 13 HD2 LEU 13 5.621 4.529 1.285 93 3HD2 LEU 13 HD2 LEU 13 5.079 5.756 2.456 94 H ALA 14 H ALA 14 1.018 7.614 1.068 95 HA ALA 14 HA ALA 14 -0.230 6.465 3.350 96 1HB ALA 14 HB1 ALA 14 -0.788 9.116 1.944 97 2HB ALA 14 HB2 ALA 14 -1.253 8.699 3.610 98 3HB ALA 14 HB3 ALA 14 0.467 8.836 3.175 99 H LYS 15 H LYS 15 -1.480 7.265 0.069 100 HA LYS 15 HA LYS 15 -4.228 6.764 0.743 101 1HB LYS 15 H LYS 15 -3.361 8.108 -1.228 102 2HB LYS 15 H LYS 15 -2.926 6.563 -1.999 103 1HG LYS 15 H LYS 15 -5.233 5.820 -1.973 104 2HG LYS 15 H LYS 15 -5.720 7.198 -0.957 105 1HD LYS 15 H LYS 15 -5.117 8.764 -2.779 106 2HD LYS 15 H LYS 15 -4.602 7.393 -3.786 107 1HE LYS 15 H LYS 15 -6.852 8.038 -4.446 108 2HE LYS 15 H LYS 15 -6.922 6.457 -3.637 109 1HZ LYS 15 H LYS 15 -7.632 7.549 -1.654 110 2HZ LYS 15 H LYS 15 -8.636 7.965 -2.895 111 3HZ LYS 15 H LYS 15 -7.505 9.036 -2.355 112 H ILE 16 H ILE 16 -1.532 4.763 -0.528 113 HA ILE 16 HA ILE 16 -3.091 2.435 -1.077 114 HB ILE 16 HB ILE 16 -0.161 2.922 -0.449 115 1HG1 ILE 16 HG1 ILE 16 -1.401 1.776 -2.967 116 2HG1 ILE 16 HG1 ILE 16 -1.386 3.528 -2.687 117 1HG2 ILE 16 HG2 ILE 16 -0.513 0.716 0.417 118 2HG2 ILE 16 HG2 ILE 16 -1.633 0.298 -0.899 119 3HG2 ILE 16 HG2 ILE 16 0.103 0.477 -1.231 120 1HD1 ILE 16 HD1 ILE 16 0.581 2.818 -4.009 121 2HD1 ILE 16 HD1 ILE 16 1.068 1.715 -2.703 122 3HD1 ILE 16 HD1 ILE 16 1.073 3.471 -2.433 123 H VAL 17 H VAL 17 -1.219 3.456 1.816 124 HA VAL 17 HA VAL 17 -1.826 1.204 3.424 125 HB VAL 17 HB VAL 17 -1.012 4.074 3.929 126 1HG1 VAL 17 HG1 VAL 17 -0.740 3.406 6.362 127 2HG1 VAL 17 HG1 VAL 17 -1.766 1.991 6.023 128 3HG1 VAL 17 HG1 VAL 17 -2.423 3.637 5.839 129 1HG2 VAL 17 HG2 VAL 17 1.033 3.002 4.707 130 2HG2 VAL 17 HG2 VAL 17 0.609 2.326 3.119 131 3HG2 VAL 17 HG2 VAL 17 0.281 1.393 4.600 132 H ASN 18 H ASN 18 -3.493 4.394 3.108 133 HA ASN 18 HA ASN 18 -5.522 3.884 5.022 134 1HB ASN 18 HB1 ASN 18 -5.081 6.120 4.189 135 2HB ASN 18 HB2 ASN 18 -5.468 5.627 2.527 136 1HD2 ASN 18 HD2 ASN 18 -6.917 5.715 5.834 137 2HD2 ASN 18 HD2 ASN 18 -8.540 6.084 5.296 138 H TYR 19 H TYR 19 -5.388 3.259 1.482 139 HA TYR 19 HA TYR 19 -8.061 2.367 1.186 140 1HB TYR 19 HB1 TYR 19 -6.991 2.800 -0.826 141 2HB TYR 19 HB2 TYR 19 -5.479 2.032 -0.312 142 HD1 TYR 19 HD1 TYR 19 -9.077 1.032 -0.842 143 HD2 TYR 19 HD2 TYR 19 -4.918 0.038 -1.344 144 HE1 TYR 19 HE1 TYR 19 -9.715 -1.074 -1.983 145 HE2 TYR 19 HE2 TYR 19 -5.562 -2.069 -2.482 146 HH TYR 19 HH TYR 19 -8.889 -2.809 -3.363 147 H MET 20 H MET 20 -5.024 0.426 1.547 148 HA MET 20 HA MET 20 -6.268 -2.099 1.747 149 1HB MET 20 HB2 MET 20 -3.676 -1.015 2.924 150 2HB MET 20 HB1 MET 20 -4.142 -2.731 2.958 151 1HG MET 20 HG1 MET 20 -4.259 -2.807 0.529 152 2HG MET 20 HG2 MET 20 -3.961 -1.068 0.423 153 1HE MET 20 HE1 MET 20 -0.856 -4.268 1.641 154 2HE MET 20 HE2 MET 20 -2.563 -4.569 1.238 155 3HE MET 20 HE3 MET 20 -2.138 -3.749 2.759 156 H LYS 21 H LYS 21 -5.553 0.354 4.274 157 HA LYS 21 HA LYS 21 -6.305 -1.205 6.513 158 1HB LYS 21 H LYS 21 -5.108 0.984 6.577 159 2HB LYS 21 H LYS 21 -6.601 1.802 6.085 160 1HG LYS 21 H LYS 21 -6.572 -0.009 8.520 161 2HG LYS 21 H LYS 21 -5.985 1.664 8.636 162 1HD LYS 21 H LYS 21 -8.390 1.961 7.261 163 2HD LYS 21 H LYS 21 -8.748 0.647 8.406 164 1HE LYS 21 H LYS 21 -7.885 2.045 10.266 165 2HE LYS 21 H LYS 21 -7.544 3.359 9.116 166 1HZ LYS 21 H LYS 21 -9.868 3.459 8.624 167 2HZ LYS 21 H LYS 21 -9.632 3.651 10.245 168 3HZ LYS 21 H LYS 21 -10.200 2.215 9.658 169 H THR 22 H THR 22 -8.260 0.994 4.420 170 HA THR 22 HA THR 22 -10.689 0.614 5.893 171 HB THR 22 HB THR 22 -10.280 1.432 2.978 172 HG1 THR 22 HG1 THR 22 -9.137 2.795 4.302 173 1HG2 THR 22 HG2 THR 22 -12.438 2.652 3.376 174 2HG2 THR 22 HG2 THR 22 -12.558 1.860 4.965 175 3HG2 THR 22 HG2 THR 22 -12.616 0.885 3.476 176 H ARG 23 H ARG 23 -9.511 -0.868 2.786 177 HA ARG 23 HA ARG 23 -11.778 -2.516 2.394 178 1HB ARG 23 H ARG 23 -10.144 -2.102 0.623 179 2HB ARG 23 H ARG 23 -8.878 -2.946 1.552 180 1HG ARG 23 H ARG 23 -9.858 -5.043 1.243 181 2HG ARG 23 H ARG 23 -11.480 -4.360 0.985 182 1HD ARG 23 H ARG 23 -10.745 -3.473 -1.220 183 2HD ARG 23 H ARG 23 -9.150 -4.226 -0.970 184 HE ARG 23 H ARG 23 -11.152 -6.214 -0.596 185 1HH1 ARG 23 H ARG 23 -10.179 -4.097 -3.279 186 2HH1 ARG 23 H ARG 23 -10.102 -5.409 -4.435 187 1HH2 ARG 23 H ARG 23 -11.406 -7.823 -2.188 188 2HH2 ARG 23 H ARG 23 -10.968 -7.492 -3.856 189 H HIS 24 H HIS 24 -8.817 -2.961 4.324 190 HA HIS 24 HA HIS 24 -9.293 -5.703 5.035 191 1HB HIS 24 HB2 HIS 24 -7.093 -4.665 5.166 192 2HB HIS 24 HB1 HIS 24 -7.693 -3.449 6.304 193 HD1 HIS 24 HD1 HIS 24 -6.192 -6.834 6.129 194 HD2 HIS 24 HD2 HIS 24 -8.276 -4.545 8.940 195 HE1 HIS 24 HE1 HIS 24 -5.839 -7.892 8.414 196 H GLN 25 H GLN 25 -10.121 -2.539 6.491 197 HA GLN 25 HA GLN 25 -11.127 -3.451 8.956 198 1HB GLN 25 HB2 GLN 25 -10.614 -1.071 8.210 199 2HB GLN 25 HB1 GLN 25 -12.169 -1.084 7.351 200 1HG GLN 25 HG2 GLN 25 -13.301 -1.651 9.513 201 2HG GLN 25 HG1 GLN 25 -11.732 -1.513 10.330 202 1HE2 GLN 25 HE2 GLN 25 -14.542 0.155 9.466 203 2HE2 GLN 25 HE2 GLN 25 -13.955 1.792 9.655 204 H ARG 26 H ARG 26 -12.884 -2.913 5.821 205 HA ARG 26 HA ARG 26 -15.438 -3.531 6.940 206 1HB ARG 26 H ARG 26 -16.181 -3.743 4.571 207 2HB ARG 26 H ARG 26 -15.301 -2.239 4.915 208 1HG ARG 26 H ARG 26 -13.292 -3.094 3.891 209 2HG ARG 26 H ARG 26 -13.988 -4.717 3.731 210 1HD ARG 26 H ARG 26 -15.105 -2.216 2.394 211 2HD ARG 26 H ARG 26 -14.023 -3.373 1.594 212 HE ARG 26 H ARG 26 -16.864 -3.671 2.050 213 1HH1 ARG 26 H ARG 26 -13.809 -5.425 1.757 214 2HH1 ARG 26 H ARG 26 -14.556 -6.953 1.335 215 1HH2 ARG 26 H ARG 26 -17.850 -5.668 1.423 216 2HH2 ARG 26 H ARG 26 -16.858 -7.073 1.102 217 H GLY 27 H GLY 27 -12.901 -5.669 5.525 218 1HA GLY 27 HA1 GLY 27 -13.594 -7.950 6.844 219 2HA GLY 27 HA2 GLY 27 -14.753 -7.947 5.501 220 H ASP 28 H ASP 28 -12.792 -6.643 3.612 221 HA ASP 28 HA ASP 28 -11.580 -9.121 2.689 222 1HB ASP 28 H ASP 28 -11.878 -6.316 1.691 223 2HB ASP 28 H ASP 28 -10.552 -7.283 1.022 224 H THR 29 H THR 29 -10.343 -9.327 4.817 225 HA THR 29 HA THR 29 -8.000 -7.619 5.128 226 HB THR 29 HB THR 29 -7.460 -9.138 6.980 227 HG1 THR 29 HG1 THR 29 -9.727 -10.644 6.177 228 1HG2 THR 29 HG2 THR 29 -10.457 -8.593 6.880 229 2HG2 THR 29 HG2 THR 29 -9.469 -8.831 8.338 230 3HG2 THR 29 HG2 THR 29 -9.215 -7.403 7.315 231 H HIS 30 H HIS 30 -8.808 -10.029 2.938 232 HA HIS 30 HA HIS 30 -6.538 -11.703 2.891 233 1HB HIS 30 HB2 HIS 30 -7.417 -12.489 0.870 234 2HB HIS 30 HB1 HIS 30 -8.849 -11.850 1.690 235 HD1 HIS 30 HD1 HIS 30 -8.555 -8.809 1.031 236 HD2 HIS 30 HD2 HIS 30 -7.971 -11.876 -1.761 237 HE1 HIS 30 HE1 HIS 30 -8.877 -7.823 -1.290 238 HA PRO 31 HA PRO 31 -3.367 -9.181 1.119 239 1HB PRO 31 HB2 PRO 31 -2.263 -11.150 -0.627 240 2HB PRO 31 HB1 PRO 31 -1.726 -10.765 1.027 241 1HG PRO 31 HG1 PRO 31 -3.170 -13.113 0.069 242 2HG PRO 31 HG2 PRO 31 -2.513 -12.799 1.699 243 1HD PRO 31 HD1 PRO 31 -5.266 -12.718 0.845 244 2HD PRO 31 HD2 PRO 31 -4.604 -12.380 2.471 245 H LEU 32 H LEU 32 -2.672 -8.159 -0.894 246 HA LEU 32 HA LEU 32 -4.345 -8.748 -3.285 247 1HB LEU 32 HB2 LEU 32 -4.071 -6.150 -1.757 248 2HB LEU 32 HB1 LEU 32 -4.268 -6.112 -3.519 249 HG LEU 32 HG LEU 32 -6.191 -7.322 -1.483 250 1HD1 LEU 32 HD1 LEU 32 -6.487 -5.086 -3.544 251 2HD1 LEU 32 HD1 LEU 32 -6.206 -4.836 -1.800 252 3HD1 LEU 32 HD1 LEU 32 -7.712 -5.602 -2.356 253 1HD2 LEU 32 HD2 LEU 32 -7.612 -7.569 -3.679 254 2HD2 LEU 32 HD2 LEU 32 -6.038 -7.544 -4.498 255 3HD2 LEU 32 HD2 LEU 32 -6.401 -8.813 -3.309 256 H THR 33 H THR 33 -3.233 -8.532 -5.224 257 HA THR 33 HA THR 33 -0.368 -8.407 -5.163 258 HB THR 33 HB THR 33 -0.559 -8.279 -7.640 259 HG1 THR 33 HG1 THR 33 -3.352 -8.134 -7.175 260 1HG2 THR 33 HG2 THR 33 -2.438 -10.218 -6.238 261 2HG2 THR 33 HG2 THR 33 -2.033 -10.327 -7.965 262 3HG2 THR 33 HG2 THR 33 -0.755 -10.492 -6.742 263 H LEU 34 H LEU 34 0.882 -6.741 -6.498 264 HA LEU 34 HA LEU 34 0.518 -4.155 -5.411 265 1HB LEU 34 HB2 LEU 34 2.648 -5.208 -6.306 266 2HB LEU 34 HB1 LEU 34 2.032 -4.941 -7.945 267 HG LEU 34 HG LEU 34 3.680 -3.197 -6.819 268 1HD1 LEU 34 HD1 LEU 34 2.748 -1.430 -8.206 269 2HD1 LEU 34 HD1 LEU 34 1.174 -2.244 -8.248 270 3HD1 LEU 34 HD1 LEU 34 2.573 -2.988 -9.045 271 1HD2 LEU 34 HD2 LEU 34 2.175 -2.933 -4.788 272 2HD2 LEU 34 HD2 LEU 34 2.660 -1.422 -5.585 273 3HD2 LEU 34 HD2 LEU 34 1.029 -2.073 -5.844 274 H ASP 35 H ASP 35 -0.221 -5.501 -8.673 275 HA ASP 35 HA ASP 35 -1.231 -3.156 -9.850 276 1HB ASP 35 H ASP 35 -2.045 -6.055 -10.288 277 2HB ASP 35 H ASP 35 -2.374 -4.707 -11.400 278 H GLU 36 H GLU 36 -3.034 -5.749 -8.056 279 HA GLU 36 HA GLU 36 -5.620 -4.692 -8.313 280 1HB GLU 36 H GLU 36 -4.244 -6.314 -6.167 281 2HB GLU 36 H GLU 36 -5.941 -5.809 -5.991 282 1HG GLU 36 H GLU 36 -6.566 -6.922 -8.052 283 2HG GLU 36 H GLU 36 -4.869 -7.273 -8.440 284 H ILE 37 H ILE 37 -2.988 -3.727 -6.096 285 HA ILE 37 HA ILE 37 -4.665 -1.985 -4.520 286 HB ILE 37 HB ILE 37 -1.658 -2.277 -4.871 287 1HG1 ILE 37 HG1 ILE 37 -3.364 -2.795 -2.411 288 2HG1 ILE 37 HG1 ILE 37 -3.173 -4.028 -3.675 289 1HG2 ILE 37 HG2 ILE 37 -2.120 0.065 -4.304 290 2HG2 ILE 37 HG2 ILE 37 -3.211 -0.446 -2.995 291 3HG2 ILE 37 HG2 ILE 37 -1.468 -0.778 -2.888 292 1HD1 ILE 37 HD1 ILE 37 -0.932 -2.719 -2.077 293 2HD1 ILE 37 HD1 ILE 37 -1.505 -4.395 -1.932 294 3HD1 ILE 37 HD1 ILE 37 -0.690 -3.861 -3.419 295 H LEU 38 H LEU 38 -2.413 -1.467 -7.319 296 HA LEU 38 HA LEU 38 -2.402 1.311 -7.426 297 1HB LEU 38 HB2 LEU 38 -2.667 -0.600 -9.786 298 2HB LEU 38 HB1 LEU 38 -2.160 1.087 -9.881 299 HG LEU 38 HG LEU 38 -0.699 -1.229 -8.618 300 1HD1 LEU 38 HD1 LEU 38 -0.482 -0.760 -11.071 301 2HD1 LEU 38 HD1 LEU 38 0.158 0.849 -10.658 302 3HD1 LEU 38 HD1 LEU 38 1.048 -0.612 -10.180 303 1HD2 LEU 38 HD2 LEU 38 -0.209 1.747 -8.256 304 2HD2 LEU 38 HD2 LEU 38 -0.375 0.511 -6.991 305 3HD2 LEU 38 HD2 LEU 38 1.073 0.540 -8.027 306 H ASP 39 H ASP 39 -4.776 -0.818 -9.114 307 HA ASP 39 HA ASP 39 -6.368 1.085 -10.301 308 1HB ASP 39 H ASP 39 -7.051 -1.571 -8.994 309 2HB ASP 39 H ASP 39 -8.256 -0.620 -9.888 310 H GLU 40 H GLU 40 -7.154 -0.366 -7.086 311 HA GLU 40 HA GLU 40 -9.310 1.370 -6.540 312 1HB GLU 40 H GLU 40 -7.480 -0.235 -4.718 313 2HB GLU 40 H GLU 40 -8.976 0.560 -4.179 314 1HG GLU 40 H GLU 40 -9.663 -0.873 -6.540 315 2HG GLU 40 H GLU 40 -8.644 -1.970 -5.586 316 H THR 41 H THR 41 -5.823 1.895 -6.109 317 HA THR 41 HA THR 41 -6.335 4.226 -4.348 318 HB THR 41 HB THR 41 -3.867 4.315 -4.208 319 HG1 THR 41 HG1 THR 41 -4.028 1.981 -5.816 320 1HG2 THR 41 HG2 THR 41 -4.930 3.052 -2.507 321 2HG2 THR 41 HG2 THR 41 -3.624 2.009 -3.115 322 3HG2 THR 41 HG2 THR 41 -5.300 1.710 -3.616 323 H GLN 42 H GLN 42 -6.434 3.702 -7.654 324 HA GLN 42 HA GLN 42 -6.398 5.127 -9.448 325 1HB GLN 42 HB1 GLN 42 -6.278 7.225 -7.239 326 2HB GLN 42 HB2 GLN 42 -6.238 7.656 -8.951 327 1HG GLN 42 HG2 GLN 42 -8.506 7.757 -8.040 328 2HG GLN 42 HG1 GLN 42 -8.362 6.552 -9.331 329 1HE2 GLN 42 HE2 GLN 42 -8.001 6.762 -5.741 330 2HE2 GLN 42 HE2 GLN 42 -8.759 5.217 -5.405 331 H HIS 43 H HIS 43 -4.021 3.783 -8.713 332 HA HIS 43 HA HIS 43 -1.984 5.757 -9.667 333 1HB HIS 43 HB1 HIS 43 -1.445 3.490 -7.722 334 2HB HIS 43 HB2 HIS 43 -0.332 4.772 -8.223 335 HD1 HIS 43 HD1 HIS 43 -2.581 7.123 -7.803 336 HD2 HIS 43 HD2 HIS 43 -1.374 4.230 -5.033 337 HE1 HIS 43 HE1 HIS 43 -3.122 7.998 -5.475 338 H LEU 44 H LEU 44 -3.529 4.166 -11.414 339 HA LEU 44 HA LEU 44 -2.094 1.697 -11.964 340 1HB LEU 44 HB1 LEU 44 -4.570 2.887 -12.721 341 2HB LEU 44 HB2 LEU 44 -3.641 2.637 -14.218 342 HG LEU 44 HG LEU 44 -3.970 0.479 -12.076 343 1HD1 LEU 44 HD1 LEU 44 -5.671 -0.489 -13.660 344 2HD1 LEU 44 HD1 LEU 44 -5.597 1.013 -14.609 345 3HD1 LEU 44 HD1 LEU 44 -6.193 1.047 -12.932 346 1HD2 LEU 44 HD2 LEU 44 -3.321 -1.003 -13.982 347 2HD2 LEU 44 HD2 LEU 44 -3.127 0.430 -15.019 348 3HD2 LEU 44 HD2 LEU 44 -2.057 0.193 -13.618 349 H ASP 45 H ASP 45 -2.373 4.915 -13.574 350 HA ASP 45 HA ASP 45 -0.413 4.439 -15.578 351 1HB ASP 45 H ASP 45 -1.121 7.073 -14.220 352 2HB ASP 45 H ASP 45 -0.414 6.860 -15.836 353 H ILE 46 H ILE 46 -0.242 5.665 -12.246 354 HA ILE 46 HA ILE 46 1.580 6.485 -11.050 355 HB ILE 46 HB ILE 46 1.032 4.280 -10.292 356 1HG1 ILE 46 HG1 ILE 46 4.051 4.454 -10.353 357 2HG1 ILE 46 HG1 ILE 46 3.029 5.506 -9.354 358 1HG2 ILE 46 HG2 ILE 46 1.343 2.429 -11.510 359 2HG2 ILE 46 HG2 ILE 46 2.142 3.383 -12.763 360 3HG2 ILE 46 HG2 ILE 46 3.099 2.659 -11.462 361 1HD1 ILE 46 HD1 ILE 46 3.772 3.576 -8.041 362 2HD1 ILE 46 HD1 ILE 46 3.140 2.458 -9.269 363 3HD1 ILE 46 HD1 ILE 46 2.020 3.462 -8.319 364 H GLY 47 H GLY 47 3.870 4.188 -12.260 365 1HA GLY 47 HA2 GLY 47 5.203 5.255 -14.344 366 2HA GLY 47 HA1 GLY 47 5.691 6.330 -13.007 367 H LEU 48 H LEU 48 7.313 4.301 -14.528 368 HA LEU 48 HA LEU 48 7.678 1.913 -13.122 369 1HB LEU 48 HB1 LEU 48 8.700 2.423 -15.310 370 2HB LEU 48 HB2 LEU 48 9.739 3.650 -14.554 371 HG LEU 48 HG LEU 48 10.788 1.873 -13.143 372 1HD1 LEU 48 HD1 LEU 48 9.030 0.231 -12.967 373 2HD1 LEU 48 HD1 LEU 48 10.342 -0.533 -13.890 374 3HD1 LEU 48 HD1 LEU 48 8.904 0.084 -14.737 375 1HD2 LEU 48 HD2 LEU 48 10.784 1.258 -16.131 376 2HD2 LEU 48 HD2 LEU 48 12.044 0.781 -14.967 377 3HD2 LEU 48 HD2 LEU 48 11.774 2.502 -15.332 378 H LYS 49 H LYS 49 9.031 5.166 -12.456 379 HA LYS 49 HA LYS 49 10.930 4.457 -10.515 380 1HB LYS 49 H LYS 49 10.112 6.776 -11.670 381 2HB LYS 49 H LYS 49 9.348 6.962 -10.078 382 1HG LYS 49 H LYS 49 12.299 6.347 -10.575 383 2HG LYS 49 H LYS 49 11.633 7.937 -10.134 384 1HD LYS 49 H LYS 49 10.637 6.770 -8.056 385 2HD LYS 49 H LYS 49 11.701 5.399 -8.452 386 1HE LYS 49 H LYS 49 12.614 8.274 -7.985 387 2HE LYS 49 H LYS 49 12.748 6.947 -6.812 388 1HZ LYS 49 H LYS 49 14.144 5.794 -8.385 389 2HZ LYS 49 H LYS 49 14.783 7.263 -7.990 390 3HZ LYS 49 H LYS 49 14.042 7.053 -9.448 391 H GLN 50 H GLN 50 7.526 5.579 -9.923 392 HA GLN 50 HA GLN 50 7.645 4.996 -7.120 393 1HB GLN 50 HB2 GLN 50 5.360 5.505 -9.044 394 2HB GLN 50 HB1 GLN 50 5.128 5.263 -7.299 395 1HG GLN 50 HG1 GLN 50 6.851 7.124 -6.950 396 2HG GLN 50 HG2 GLN 50 6.720 7.450 -8.692 397 1HE2 GLN 50 HE2 GLN 50 4.609 6.959 -5.797 398 2HE2 GLN 50 HE2 GLN 50 3.457 8.206 -6.220 399 H LYS 51 H LYS 51 6.094 3.220 -9.884 400 HA LYS 51 HA LYS 51 5.004 1.062 -8.554 401 1HB LYS 51 H LYS 51 4.992 1.554 -11.040 402 2HB LYS 51 H LYS 51 6.635 0.890 -11.126 403 1HG LYS 51 H LYS 51 5.660 -1.137 -11.435 404 2HG LYS 51 H LYS 51 5.216 -1.071 -9.716 405 1HD LYS 51 H LYS 51 3.163 -1.477 -10.826 406 2HD LYS 51 H LYS 51 3.133 0.270 -10.495 407 1HE LYS 51 H LYS 51 3.933 0.715 -12.805 408 2HE LYS 51 H LYS 51 3.985 -1.031 -13.125 409 1HZ LYS 51 H LYS 51 1.983 -0.052 -13.956 410 2HZ LYS 51 H LYS 51 1.580 0.526 -12.464 411 3HZ LYS 51 H LYS 51 1.621 -1.102 -12.734 412 H GLN 52 H GLN 52 8.437 1.352 -9.668 413 HA GLN 52 HA GLN 52 9.253 -1.165 -8.608 414 1HB GLN 52 HB2 GLN 52 10.478 0.141 -10.358 415 2HB GLN 52 HB1 GLN 52 10.915 1.335 -9.119 416 1HG GLN 52 HG1 GLN 52 12.765 -0.230 -9.455 417 2HG GLN 52 HG2 GLN 52 12.088 -0.432 -7.828 418 1HE2 GLN 52 HE2 GLN 52 10.944 -2.336 -7.297 419 2HE2 GLN 52 HE2 GLN 52 10.990 -3.758 -8.322 420 H TRP 53 H TRP 53 9.470 2.190 -7.299 421 HA TRP 53 HA TRP 53 10.861 1.590 -4.924 422 1HB TRP 53 HB2 TRP 53 10.581 3.850 -5.607 423 2HB TRP 53 HB1 TRP 53 8.822 3.696 -5.663 424 HD1 TRP 53 HD1 TRP 53 11.607 3.537 -2.997 425 HE1 TRP 53 HE1 TRP 53 10.766 4.598 -0.806 426 HE3 TRP 53 HE3 TRP 53 6.776 4.532 -4.387 427 HZ2 TRP 53 HZ2 TRP 53 8.344 5.733 0.179 428 HZ3 TRP 53 HZ3 TRP 53 5.221 5.582 -2.767 429 HH2 TRP 53 HH2 TRP 53 6.004 6.194 -0.490 430 H LEU 54 H LEU 54 7.333 1.461 -5.624 431 HA LEU 54 HA LEU 54 6.494 0.953 -2.970 432 1HB LEU 54 HB2 LEU 54 5.322 0.212 -5.674 433 2HB LEU 54 HB1 LEU 54 4.489 -0.118 -4.141 434 HG LEU 54 HG LEU 54 5.436 2.660 -4.975 435 1HD1 LEU 54 HD1 LEU 54 2.653 1.431 -5.165 436 2HD1 LEU 54 HD1 LEU 54 3.100 3.101 -5.588 437 3HD1 LEU 54 HD1 LEU 54 3.729 1.741 -6.547 438 1HD2 LEU 54 HD2 LEU 54 3.693 1.556 -2.742 439 2HD2 LEU 54 HD2 LEU 54 5.133 2.591 -2.609 440 3HD2 LEU 54 HD2 LEU 54 3.618 3.261 -3.243 441 H MET 55 H MET 55 7.453 -1.218 -5.642 442 HA MET 55 HA MET 55 6.873 -3.644 -4.261 443 1HB MET 55 HB2 MET 55 8.677 -2.935 -6.610 444 2HB MET 55 HB1 MET 55 8.432 -4.603 -6.055 445 1HG MET 55 HG2 MET 55 6.026 -2.881 -6.614 446 2HG MET 55 HG1 MET 55 6.937 -3.551 -7.974 447 1HE MET 55 HE1 MET 55 5.835 -5.451 -9.144 448 2HE MET 55 HE2 MET 55 4.478 -4.452 -8.579 449 3HE MET 55 HE3 MET 55 4.395 -6.222 -8.438 450 H THR 56 H THR 56 9.958 -1.780 -4.675 451 HA THR 56 HA THR 56 11.265 -3.749 -2.846 452 HB THR 56 HB THR 56 13.365 -3.010 -3.953 453 HG1 THR 56 HG1 THR 56 13.190 -1.629 -5.724 454 1HG2 THR 56 HG2 THR 56 11.131 -3.838 -5.859 455 2HG2 THR 56 HG2 THR 56 12.872 -3.991 -6.186 456 3HG2 THR 56 HG2 THR 56 12.127 -4.933 -4.873 457 H GLU 57 H GLU 57 9.684 -1.398 -1.805 458 HA GLU 57 HA GLU 57 11.727 -0.516 0.033 459 1HB GLU 57 H GLU 57 11.833 0.951 -2.227 460 2HB GLU 57 H GLU 57 10.543 1.834 -1.392 461 1HG GLU 57 H GLU 57 13.086 1.129 0.089 462 2HG GLU 57 H GLU 57 13.058 2.518 -1.012 463 H ALA 58 H ALA 58 8.667 0.900 -1.270 464 HA ALA 58 HA ALA 58 7.773 1.695 1.304 465 1HB ALA 58 HB1 ALA 58 7.071 2.462 -1.089 466 2HB ALA 58 HB2 ALA 58 5.855 2.438 0.207 467 3HB ALA 58 HB3 ALA 58 5.899 1.126 -0.989 468 H LEU 59 H LEU 59 6.453 -0.961 -0.784 469 HA LEU 59 HA LEU 59 4.832 -1.912 1.436 470 1HB LEU 59 HB2 LEU 59 5.296 -3.144 -1.306 471 2HB LEU 59 HB1 LEU 59 3.955 -3.482 -0.197 472 HG LEU 59 HG LEU 59 4.531 -0.846 -1.631 473 1HD1 LEU 59 HD1 LEU 59 3.444 -2.660 -2.943 474 2HD1 LEU 59 HD1 LEU 59 2.365 -1.269 -2.683 475 3HD1 LEU 59 HD1 LEU 59 2.158 -2.748 -1.715 476 1HD2 LEU 59 HD2 LEU 59 2.369 -0.102 -0.549 477 2HD2 LEU 59 HD2 LEU 59 2.461 -1.535 0.498 478 3HD2 LEU 59 HD2 LEU 59 3.719 -0.279 0.590 479 H VAL 60 H VAL 60 7.832 -2.053 1.725 480 HA VAL 60 HA VAL 60 7.883 -4.910 2.540 481 HB VAL 60 HB VAL 60 10.346 -4.950 1.930 482 1HG1 VAL 60 HG1 VAL 60 9.915 -5.471 -0.431 483 2HG1 VAL 60 HG1 VAL 60 8.573 -6.062 0.577 484 3HG1 VAL 60 HG1 VAL 60 8.384 -4.568 -0.373 485 1HG2 VAL 60 HG2 VAL 60 9.559 -2.492 0.320 486 2HG2 VAL 60 HG2 VAL 60 10.704 -2.524 1.681 487 3HG2 VAL 60 HG2 VAL 60 11.092 -3.377 0.173 488 H ASN 61 H ASN 61 9.141 -1.567 2.896 489 HA ASN 61 HA ASN 61 10.287 -2.225 5.529 490 1HB ASN 61 HB1 ASN 61 10.118 0.344 3.905 491 2HB ASN 61 HB2 ASN 61 10.895 0.215 5.496 492 1HD2 ASN 61 HD2 ASN 61 11.831 0.654 2.518 493 2HD2 ASN 61 HD2 ASN 61 13.210 -0.428 2.401 494 H ASN 62 H ASN 62 7.388 -0.705 4.114 495 HA ASN 62 HA ASN 62 6.507 0.710 6.402 496 1HB ASN 62 HB2 ASN 62 5.609 0.895 4.065 497 2HB ASN 62 HB1 ASN 62 4.785 -0.661 4.302 498 1HD2 ASN 62 HD2 ASN 62 4.110 2.476 4.135 499 2HD2 ASN 62 HD2 ASN 62 2.893 2.654 5.379 500 HA PRO 63 HA PRO 63 5.849 -2.838 9.036 501 1HB PRO 63 HB2 PRO 63 4.429 -1.324 11.005 502 2HB PRO 63 HB1 PRO 63 6.156 -1.777 11.013 503 1HG PRO 63 HG1 PRO 63 4.940 0.837 10.476 504 2HG PRO 63 HG2 PRO 63 6.661 0.428 10.720 505 1HD PRO 63 HD2 PRO 63 5.363 1.084 8.256 506 2HD PRO 63 HD1 PRO 63 7.043 0.513 8.480 507 H LYS 64 H LYS 64 3.196 -0.526 8.268 508 HA LYS 64 HA LYS 64 1.070 -2.237 9.144 509 1HB LYS 64 H LYS 64 1.135 0.065 7.157 510 2HB LYS 64 H LYS 64 -0.355 -0.705 7.732 511 1HG LYS 64 H LYS 64 1.732 0.701 9.473 512 2HG LYS 64 H LYS 64 0.141 1.350 9.022 513 1HD LYS 64 H LYS 64 0.715 -1.073 10.792 514 2HD LYS 64 H LYS 64 -0.041 0.461 11.261 515 1HE LYS 64 H LYS 64 -1.934 -0.025 9.694 516 2HE LYS 64 H LYS 64 -1.212 -1.610 9.348 517 1HZ LYS 64 H LYS 64 -2.969 -1.479 11.104 518 2HZ LYS 64 H LYS 64 -1.826 -0.796 12.079 519 3HZ LYS 64 H LYS 64 -1.598 -2.319 11.468 520 H ILE 65 H ILE 65 3.090 -2.284 6.304 521 HA ILE 65 HA ILE 65 1.118 -3.888 4.801 522 HB ILE 65 HB ILE 65 3.938 -2.987 4.084 523 1HG1 ILE 65 HG1 ILE 65 2.320 -1.093 4.422 524 2HG1 ILE 65 HG1 ILE 65 2.876 -1.245 2.748 525 1HG2 ILE 65 HG2 ILE 65 1.727 -4.430 2.593 526 2HG2 ILE 65 HG2 ILE 65 3.449 -4.857 2.727 527 3HG2 ILE 65 HG2 ILE 65 2.951 -3.475 1.728 528 1HD1 ILE 65 HD1 ILE 65 0.212 -2.247 3.852 529 2HD1 ILE 65 HD1 ILE 65 0.776 -2.473 2.181 530 3HD1 ILE 65 HD1 ILE 65 0.455 -0.839 2.797 531 H GLU 66 H GLU 66 0.998 -6.005 5.150 532 HA GLU 66 HA GLU 66 3.401 -7.434 6.181 533 1HB GLU 66 H GLU 66 1.217 -7.398 7.505 534 2HB GLU 66 H GLU 66 0.497 -8.351 6.190 535 1HG GLU 66 H GLU 66 2.092 -10.147 6.539 536 2HG GLU 66 H GLU 66 3.022 -9.165 7.691 537 H VAL 67 H VAL 67 4.469 -8.697 4.766 538 HA VAL 67 HA VAL 67 3.275 -9.328 2.161 539 HB VAL 67 HB VAL 67 5.974 -10.091 3.374 540 1HG1 VAL 67 HG1 VAL 67 5.317 -11.544 1.500 541 2HG1 VAL 67 HG1 VAL 67 6.601 -10.430 0.976 542 3HG1 VAL 67 HG1 VAL 67 4.911 -10.121 0.512 543 1HG2 VAL 67 HG2 VAL 67 6.835 -8.220 1.956 544 2HG2 VAL 67 HG2 VAL 67 5.160 -7.785 1.550 545 3HG2 VAL 67 HG2 VAL 67 5.733 -7.647 3.228 546 H ILE 68 H ILE 68 2.077 -11.144 1.820 547 HA ILE 68 HA ILE 68 2.463 -13.410 3.741 548 HB ILE 68 HB ILE 68 -0.086 -12.570 2.286 549 1HG1 ILE 68 HG1 ILE 68 0.822 -12.236 5.184 550 2HG1 ILE 68 HG1 ILE 68 0.512 -10.937 4.012 551 1HG2 ILE 68 HG2 ILE 68 0.301 -14.579 4.551 552 2HG2 ILE 68 HG2 ILE 68 0.248 -15.057 2.841 553 3HG2 ILE 68 HG2 ILE 68 -1.169 -14.297 3.590 554 1HD1 ILE 68 HD1 ILE 68 -1.437 -11.090 5.412 555 2HD1 ILE 68 HD1 ILE 68 -1.878 -11.799 3.842 556 3HD1 ILE 68 HD1 ILE 68 -1.514 -12.856 5.227 557 H ASP 69 H ASP 69 0.403 -13.701 0.902 558 HA ASP 69 HA ASP 69 2.109 -15.849 -0.112 559 1HB ASP 69 H ASP 69 -0.349 -16.063 -0.010 560 2HB ASP 69 H ASP 69 -0.528 -14.654 -1.076 561 H GLY 70 H GLY 70 3.686 -13.671 -0.233 562 1HA GLY 70 HA1 GLY 70 5.073 -12.602 -1.750 563 2HA GLY 70 HA2 GLY 70 4.103 -13.262 -3.085 564 H LYS 71 H LYS 71 1.554 -12.238 -2.013 565 HA LYS 71 HA LYS 71 1.631 -9.590 -3.185 566 1HB LYS 71 H LYS 71 -0.592 -11.151 -1.819 567 2HB LYS 71 H LYS 71 -0.801 -9.717 -2.829 568 1HG LYS 71 H LYS 71 -0.033 -10.875 -4.788 569 2HG LYS 71 H LYS 71 0.544 -12.249 -3.832 570 1HD LYS 71 H LYS 71 -1.854 -12.628 -3.082 571 2HD LYS 71 H LYS 71 -2.342 -11.400 -4.273 572 1HE LYS 71 H LYS 71 -2.571 -13.603 -5.290 573 2HE LYS 71 H LYS 71 -1.211 -12.762 -6.062 574 1HZ LYS 71 H LYS 71 -0.645 -15.008 -5.544 575 2HZ LYS 71 H LYS 71 0.266 -13.999 -4.614 576 3HZ LYS 71 H LYS 71 -1.009 -14.808 -3.946 577 H TYR 72 H TYR 72 0.163 -7.880 -1.897 578 HA TYR 72 HA TYR 72 1.499 -7.605 0.762 579 1HB TYR 72 HB2 TYR 72 0.382 -5.496 -1.118 580 2HB TYR 72 HB1 TYR 72 1.248 -5.198 0.399 581 HD1 TYR 72 HD1 TYR 72 3.624 -6.452 0.542 582 HD2 TYR 72 HD2 TYR 72 1.610 -5.360 -3.104 583 HE1 TYR 72 HE1 TYR 72 5.786 -6.533 -0.675 584 HE2 TYR 72 HE2 TYR 72 3.776 -5.438 -4.319 585 HH TYR 72 HH TYR 72 6.025 -5.855 -4.174 586 H ALA 73 H ALA 73 0.309 -7.553 2.549 587 HA ALA 73 HA ALA 73 -2.635 -7.078 2.304 588 1HB ALA 73 HB1 ALA 73 -2.965 -8.707 4.062 589 2HB ALA 73 HB2 ALA 73 -1.947 -9.467 2.819 590 3HB ALA 73 HB3 ALA 73 -1.210 -8.863 4.319 591 H PHE 74 H PHE 74 -3.529 -6.441 4.558 592 HA PHE 74 HA PHE 74 -1.769 -4.313 5.648 593 1HB PHE 74 HB2 PHE 74 -3.890 -3.523 4.930 594 2HB PHE 74 HB1 PHE 74 -4.750 -4.855 5.697 595 HD1 PHE 74 HD1 PHE 74 -4.898 -4.936 8.217 596 HD2 PHE 74 HD2 PHE 74 -3.367 -1.517 6.106 597 HE1 PHE 74 HE1 PHE 74 -5.307 -3.531 10.212 598 HE2 PHE 74 HE2 PHE 74 -3.764 -0.110 8.113 599 HZ PHE 74 HZ PHE 74 -4.753 -1.120 10.154 600 H LYS 75 H LYS 75 -1.385 -4.159 7.920 601 HA LYS 75 HA LYS 75 -1.449 -6.813 9.265 602 1HB LYS 75 H LYS 75 0.720 -5.692 8.787 603 2HB LYS 75 H LYS 75 0.216 -4.330 9.804 604 1HG LYS 75 H LYS 75 -0.008 -5.855 11.747 605 2HG LYS 75 H LYS 75 0.499 -7.226 10.731 606 1HD LYS 75 H LYS 75 2.217 -4.741 10.950 607 2HD LYS 75 H LYS 75 2.290 -6.001 12.197 608 1HE LYS 75 H LYS 75 3.046 -7.650 10.663 609 2HE LYS 75 H LYS 75 2.545 -6.694 9.255 610 1HZ LYS 75 H LYS 75 4.733 -6.036 11.090 611 2HZ LYS 75 H LYS 75 4.243 -5.104 9.812 612 3HZ LYS 75 H LYS 75 4.886 -6.604 9.548 613 HA PRO 76 HA PRO 76 -4.366 -4.671 12.031 614 1HB PRO 76 HB2 PRO 76 -5.553 -6.965 13.008 615 2HB PRO 76 HB1 PRO 76 -6.039 -6.171 11.483 616 1HG PRO 76 HG1 PRO 76 -4.466 -8.678 11.899 617 2HG PRO 76 HG2 PRO 76 -5.474 -8.191 10.511 618 1HD PRO 76 HD2 PRO 76 -2.625 -8.061 10.688 619 2HD PRO 76 HD1 PRO 76 -3.652 -7.340 9.416 620 H LYS 77 H LYS 77 -2.833 -7.815 12.845 621 HA LYS 77 HA LYS 77 -2.915 -7.683 15.615 622 1HB LYS 77 H LYS 77 -2.331 -9.606 14.010 623 2HB LYS 77 H LYS 77 -0.669 -8.971 14.030 624 1HG LYS 77 H LYS 77 -0.432 -9.389 16.374 625 2HG LYS 77 H LYS 77 -2.187 -9.576 16.598 626 1HD LYS 77 H LYS 77 -1.026 -11.772 16.631 627 2HD LYS 77 H LYS 77 -2.163 -11.651 15.267 628 1HE LYS 77 H LYS 77 -0.327 -11.144 13.725 629 2HE LYS 77 H LYS 77 0.833 -11.097 15.071 630 1HZ LYS 77 H LYS 77 0.880 -13.177 13.891 631 2HZ LYS 77 H LYS 77 -0.711 -13.452 14.228 632 3HZ LYS 77 H LYS 77 0.395 -13.407 15.452 633 H TYR 78 H TYR 78 -1.405 -7.308 17.229 634 HA TYR 78 HA TYR 78 -0.205 -5.735 18.381 635 1HB TYR 78 HB2 TYR 78 2.088 -6.204 18.293 636 2HB TYR 78 HB1 TYR 78 1.275 -7.691 17.798 637 HD1 TYR 78 HD1 TYR 78 1.217 -8.271 15.286 638 HD2 TYR 78 HD2 TYR 78 3.759 -5.221 16.953 639 HE1 TYR 78 HE1 TYR 78 2.683 -8.396 13.285 640 HE2 TYR 78 HE2 TYR 78 5.220 -5.346 14.954 641 HH TYR 78 HH TYR 78 5.723 -6.556 13.043 642 H ASN 79 H ASN 79 -1.686 -4.246 16.722 643 HA ASN 79 HA ASN 79 -0.034 -1.890 16.455 644 1HB ASN 79 HB1 ASN 79 0.406 -3.233 14.304 645 2HB ASN 79 HB2 ASN 79 -1.289 -2.910 13.884 646 1HD2 ASN 79 HD2 ASN 79 1.933 -1.554 14.278 647 2HD2 ASN 79 HD2 ASN 79 1.576 0.030 13.624 648 H VAL 80 H VAL 80 -3.091 -3.483 15.382 649 HA VAL 80 HA VAL 80 -4.577 -1.091 16.400 650 HB VAL 80 HB VAL 80 -5.243 -2.894 14.024 651 1HG1 VAL 80 HG1 VAL 80 -7.296 -2.149 15.074 652 2HG1 VAL 80 HG1 VAL 80 -7.028 -1.120 13.650 653 3HG1 VAL 80 HG1 VAL 80 -6.658 -0.499 15.276 654 1HG2 VAL 80 HG2 VAL 80 -4.312 0.009 14.195 655 2HG2 VAL 80 HG2 VAL 80 -4.874 -0.797 12.710 656 3HG2 VAL 80 HG2 VAL 80 -3.397 -1.358 13.520 657 H ARG 81 H ARG 81 -6.589 -1.533 17.427 658 HA ARG 81 HA ARG 81 -7.028 -4.384 18.202 659 1HB ARG 81 H ARG 81 -7.148 -1.884 19.945 660 2HB ARG 81 H ARG 81 -7.716 -3.495 20.443 661 1HG ARG 81 H ARG 81 -5.405 -4.390 19.985 662 2HG ARG 81 H ARG 81 -4.867 -2.723 19.665 663 1HD ARG 81 H ARG 81 -5.577 -2.056 21.942 664 2HD ARG 81 H ARG 81 -6.119 -3.719 22.262 665 HE ARG 81 H ARG 81 -3.390 -3.770 21.430 666 1HH1 ARG 81 H ARG 81 -5.425 -2.746 24.141 667 2HH1 ARG 81 H ARG 81 -4.177 -2.974 25.344 668 1HH2 ARG 81 H ARG 81 -1.743 -4.069 23.023 669 2HH2 ARG 81 H ARG 81 -2.075 -3.727 24.705 Start of MODEL 2 1 1H ALA 1 H1 ALA 1 13.893 14.929 13.448 2 2H ALA 1 H2 ALA 1 12.499 15.016 14.325 3 3H ALA 1 H3 ALA 1 12.433 14.827 12.688 4 HA ALA 1 HA ALA 1 13.470 17.171 14.110 5 1HB ALA 1 HB1 ALA 1 13.150 16.598 11.136 6 2HB ALA 1 HB2 ALA 1 13.523 18.197 11.825 7 3HB ALA 1 HB3 ALA 1 14.671 16.851 12.024 8 H LEU 2 H LEU 2 11.136 16.549 11.429 9 HA LEU 2 HA LEU 2 8.879 17.343 13.106 10 1HB LEU 2 HB2 LEU 2 10.184 19.463 12.174 11 2HB LEU 2 HB1 LEU 2 9.348 19.063 10.661 12 HG LEU 2 HG LEU 2 7.922 19.386 13.343 13 1HD1 LEU 2 HD1 LEU 2 9.025 21.502 12.681 14 2HD1 LEU 2 HD1 LEU 2 7.257 21.622 12.517 15 3HD1 LEU 2 HD1 LEU 2 8.272 21.393 11.072 16 1HD2 LEU 2 HD2 LEU 2 6.590 18.106 11.798 17 2HD2 LEU 2 HD2 LEU 2 5.955 19.763 11.749 18 3HD2 LEU 2 HD2 LEU 2 7.011 19.178 10.442 19 H SER 3 H SER 3 9.790 17.319 9.602 20 HA SER 3 HA SER 3 8.854 16.255 7.807 21 1HB SER 3 HB1 SER 3 8.317 14.044 9.837 22 2HB SER 3 HB2 SER 3 8.451 13.865 8.072 23 HG SER 3 HG SER 3 10.412 13.359 9.106 24 H GLY 4 H GLY 4 7.152 18.049 8.143 25 1HA GLY 4 HA1 GLY 4 4.559 17.219 9.183 26 2HA GLY 4 HA2 GLY 4 4.952 18.743 8.359 27 H SER 5 H SER 5 5.033 15.235 7.491 28 HA SER 5 HA SER 5 4.215 14.086 5.702 29 1HB SER 5 HB1 SER 5 2.069 15.153 6.623 30 2HB SER 5 HB2 SER 5 2.216 16.340 5.304 31 HG SER 5 HG SER 5 0.936 14.505 4.742 32 H SER 6 H SER 6 3.303 14.628 3.242 33 HA SER 6 HA SER 6 4.487 16.779 1.818 34 1HB SER 6 HB2 SER 6 6.662 15.893 2.329 35 2HB SER 6 HB1 SER 6 6.132 14.226 2.011 36 HG SER 6 HG SER 6 7.335 15.231 0.280 37 H GLY 7 H GLY 7 4.119 16.514 -0.516 38 1HA GLY 7 HA1 GLY 7 2.159 14.322 -1.076 39 2HA GLY 7 HA2 GLY 7 2.054 15.966 -1.745 40 H TYR 8 H TYR 8 4.663 13.503 -1.437 41 HA TYR 8 HA TYR 8 4.804 13.137 -4.331 42 1HB TYR 8 HB2 TYR 8 6.116 15.165 -4.182 43 2HB TYR 8 HB1 TYR 8 7.003 14.552 -2.776 44 HD1 TYR 8 HD1 TYR 8 6.280 13.612 -6.358 45 HD2 TYR 8 HD2 TYR 8 9.128 13.639 -3.125 46 HE1 TYR 8 HE1 TYR 8 8.005 12.652 -7.866 47 HE2 TYR 8 HE2 TYR 8 10.851 12.682 -4.636 48 HH TYR 8 HH TYR 8 11.349 12.009 -6.770 49 H LYS 9 H LYS 9 4.552 10.957 -4.058 50 HA LYS 9 HA LYS 9 5.251 8.803 -3.711 51 1HB LYS 9 H LYS 9 7.416 8.313 -3.408 52 2HB LYS 9 H LYS 9 7.677 10.059 -3.520 53 1HG LYS 9 H LYS 9 7.414 10.117 -0.959 54 2HG LYS 9 H LYS 9 7.477 8.354 -0.999 55 1HD LYS 9 H LYS 9 9.606 10.063 -2.335 56 2HD LYS 9 H LYS 9 9.696 9.644 -0.610 57 1HE LYS 9 H LYS 9 9.681 7.270 -1.120 58 2HE LYS 9 H LYS 9 9.413 7.594 -2.845 59 1HZ LYS 9 H LYS 9 11.696 7.114 -2.373 60 2HZ LYS 9 H LYS 9 11.543 8.669 -2.904 61 3HZ LYS 9 H LYS 9 11.789 8.365 -1.302 62 H PHE 10 H PHE 10 5.554 10.953 -0.857 63 HA PHE 10 HA PHE 10 4.630 8.977 1.016 64 1HB PHE 10 HB2 PHE 10 4.484 12.002 1.216 65 2HB PHE 10 HB1 PHE 10 4.530 10.840 2.548 66 HD1 PHE 10 HD1 PHE 10 6.457 12.778 0.168 67 HD2 PHE 10 HD2 PHE 10 6.648 9.455 2.897 68 HE1 PHE 10 HE1 PHE 10 8.924 12.867 0.093 69 HE2 PHE 10 HE2 PHE 10 9.130 9.560 2.840 70 HZ PHE 10 HZ PHE 10 10.274 11.270 1.444 71 H GLY 11 H GLY 11 3.063 11.693 -0.743 72 1HA GLY 11 HA2 GLY 11 0.495 11.482 0.374 73 2HA GLY 11 HA1 GLY 11 0.867 12.094 -1.254 74 H VAL 12 H VAL 12 1.847 9.893 -2.582 75 HA VAL 12 HA VAL 12 -0.546 8.484 -3.226 76 HB VAL 12 HB VAL 12 2.354 7.830 -3.925 77 1HG1 VAL 12 HG1 VAL 12 -0.292 7.073 -5.251 78 2HG1 VAL 12 HG1 VAL 12 1.328 6.663 -5.859 79 3HG1 VAL 12 HG1 VAL 12 0.749 5.959 -4.333 80 1HG2 VAL 12 HG2 VAL 12 1.758 10.112 -4.612 81 2HG2 VAL 12 HG2 VAL 12 1.769 9.057 -6.044 82 3HG2 VAL 12 HG2 VAL 12 0.221 9.533 -5.305 83 H LEU 13 H LEU 13 2.394 7.516 -1.358 84 HA LEU 13 HA LEU 13 1.626 4.834 -0.895 85 1HB LEU 13 HB2 LEU 13 3.871 5.668 -0.464 86 2HB LEU 13 HB1 LEU 13 3.268 6.770 0.789 87 HG LEU 13 HG LEU 13 2.535 4.816 2.147 88 1HD1 LEU 13 HD1 LEU 13 2.058 3.164 0.445 89 2HD1 LEU 13 HD1 LEU 13 3.413 2.539 1.410 90 3HD1 LEU 13 HD1 LEU 13 3.719 3.256 -0.189 91 1HD2 LEU 13 HD2 LEU 13 5.427 4.584 1.203 92 2HD2 LEU 13 HD2 LEU 13 4.778 4.029 2.763 93 3HD2 LEU 13 HD2 LEU 13 4.833 5.767 2.394 94 H ALA 14 H ALA 14 0.764 7.872 0.804 95 HA ALA 14 HA ALA 14 -0.524 6.691 3.045 96 1HB ALA 14 HB1 ALA 14 0.103 9.104 2.811 97 2HB ALA 14 HB2 ALA 14 -1.216 9.302 1.634 98 3HB ALA 14 HB3 ALA 14 -1.586 8.865 3.317 99 H LYS 15 H LYS 15 -1.645 7.300 -0.319 100 HA LYS 15 HA LYS 15 -4.419 6.840 0.163 101 1HB LYS 15 H LYS 15 -2.854 6.137 -2.361 102 2HB LYS 15 H LYS 15 -4.599 6.418 -2.221 103 1HG LYS 15 H LYS 15 -4.145 8.768 -1.521 104 2HG LYS 15 H LYS 15 -2.413 8.460 -1.708 105 1HD LYS 15 H LYS 15 -3.295 9.605 -3.698 106 2HD LYS 15 H LYS 15 -2.705 7.980 -4.098 107 1HE LYS 15 H LYS 15 -4.908 8.572 -5.168 108 2HE LYS 15 H LYS 15 -4.960 7.099 -4.185 109 1HZ LYS 15 H LYS 15 -5.960 8.334 -2.439 110 2HZ LYS 15 H LYS 15 -6.828 8.586 -3.822 111 3HZ LYS 15 H LYS 15 -5.806 9.755 -3.261 112 H ILE 16 H ILE 16 -1.736 4.674 -0.848 113 HA ILE 16 HA ILE 16 -3.244 2.304 -0.995 114 HB ILE 16 HB ILE 16 -0.315 2.741 -0.291 115 1HG1 ILE 16 HG1 ILE 16 -1.605 1.935 -2.939 116 2HG1 ILE 16 HG1 ILE 16 -1.200 3.615 -2.528 117 1HG2 ILE 16 HG2 ILE 16 -1.888 0.242 -1.054 118 2HG2 ILE 16 HG2 ILE 16 -0.115 0.343 -1.126 119 3HG2 ILE 16 HG2 ILE 16 -0.948 0.516 0.431 120 1HD1 ILE 16 HD1 ILE 16 1.185 2.779 -2.068 121 2HD1 ILE 16 HD1 ILE 16 0.700 1.267 -2.869 122 3HD1 ILE 16 HD1 ILE 16 0.666 2.800 -3.768 123 H VAL 17 H VAL 17 -1.232 3.509 1.756 124 HA VAL 17 HA VAL 17 -1.873 1.418 3.532 125 HB VAL 17 HB VAL 17 -0.961 4.285 3.836 126 1HG1 VAL 17 HG1 VAL 17 -0.606 3.742 6.292 127 2HG1 VAL 17 HG1 VAL 17 -2.303 3.991 5.826 128 3HG1 VAL 17 HG1 VAL 17 -1.681 2.340 6.071 129 1HG2 VAL 17 HG2 VAL 17 0.275 1.593 4.587 130 2HG2 VAL 17 HG2 VAL 17 0.581 2.458 3.059 131 3HG2 VAL 17 HG2 VAL 17 1.084 3.179 4.605 132 H ASN 18 H ASN 18 -3.587 4.556 2.982 133 HA ASN 18 HA ASN 18 -5.446 4.194 5.123 134 1HB ASN 18 HB1 ASN 18 -4.947 6.367 4.062 135 2HB ASN 18 HB2 ASN 18 -5.717 5.809 2.560 136 1HD2 ASN 18 HD2 ASN 18 -7.842 6.296 2.310 137 2HD2 ASN 18 HD2 ASN 18 -8.953 6.678 3.608 138 H TYR 19 H TYR 19 -5.804 3.626 1.560 139 HA TYR 19 HA TYR 19 -8.469 2.640 1.738 140 1HB TYR 19 HB1 TYR 19 -8.120 2.968 -0.454 141 2HB TYR 19 HB2 TYR 19 -6.368 2.900 -0.266 142 HD1 TYR 19 HD1 TYR 19 -9.413 0.866 -0.868 143 HD2 TYR 19 HD2 TYR 19 -5.113 0.931 -0.789 144 HE1 TYR 19 HE1 TYR 19 -9.348 -1.319 -2.033 145 HE2 TYR 19 HE2 TYR 19 -5.054 -1.256 -1.955 146 HH TYR 19 HH TYR 19 -7.937 -2.786 -3.267 147 H MET 20 H MET 20 -5.290 0.934 1.735 148 HA MET 20 HA MET 20 -6.229 -1.711 1.867 149 1HB MET 20 HB2 MET 20 -3.774 -0.315 2.980 150 2HB MET 20 HB1 MET 20 -4.043 -2.050 3.207 151 1HG MET 20 HG1 MET 20 -4.149 -0.737 0.485 152 2HG MET 20 HG2 MET 20 -2.651 -1.371 1.168 153 1HE MET 20 HE1 MET 20 -1.848 -3.738 0.868 154 2HE MET 20 HE2 MET 20 -2.806 -3.926 2.354 155 3HE MET 20 HE3 MET 20 -2.938 -5.132 1.055 156 H LYS 21 H LYS 21 -5.572 0.620 4.539 157 HA LYS 21 HA LYS 21 -6.239 -1.050 6.693 158 1HB LYS 21 H LYS 21 -5.193 1.122 7.010 159 2HB LYS 21 H LYS 21 -6.583 1.944 6.287 160 1HG LYS 21 H LYS 21 -8.023 1.277 8.132 161 2HG LYS 21 H LYS 21 -6.738 0.254 8.817 162 1HD LYS 21 H LYS 21 -6.994 2.501 9.947 163 2HD LYS 21 H LYS 21 -5.364 2.196 9.302 164 1HE LYS 21 H LYS 21 -5.707 3.634 7.442 165 2HE LYS 21 H LYS 21 -7.471 3.646 7.666 166 1HZ LYS 21 H LYS 21 -6.453 5.671 8.408 167 2HZ LYS 21 H LYS 21 -5.511 4.853 9.489 168 3HZ LYS 21 H LYS 21 -7.149 4.879 9.677 169 H THR 22 H THR 22 -8.406 1.466 5.286 170 HA THR 22 HA THR 22 -10.710 0.725 6.670 171 HB THR 22 HB THR 22 -10.509 1.856 3.841 172 HG1 THR 22 HG1 THR 22 -10.486 3.107 6.395 173 1HG2 THR 22 HG2 THR 22 -12.652 2.029 6.012 174 2HG2 THR 22 HG2 THR 22 -12.803 1.225 4.431 175 3HG2 THR 22 HG2 THR 22 -12.647 2.995 4.516 176 H ARG 23 H ARG 23 -9.595 -0.517 3.454 177 HA ARG 23 HA ARG 23 -12.004 -2.070 3.116 178 1HB ARG 23 H ARG 23 -11.289 -2.329 1.000 179 2HB ARG 23 H ARG 23 -10.141 -1.059 1.428 180 1HG ARG 23 H ARG 23 -8.718 -2.639 0.498 181 2HG ARG 23 H ARG 23 -8.624 -3.088 2.213 182 1HD ARG 23 H ARG 23 -9.501 -5.116 1.771 183 2HD ARG 23 H ARG 23 -10.912 -4.383 0.993 184 HE ARG 23 H ARG 23 -8.632 -5.602 -0.307 185 1HH1 ARG 23 H ARG 23 -11.131 -3.106 -0.663 186 2HH1 ARG 23 H ARG 23 -10.975 -3.009 -2.404 187 1HH2 ARG 23 H ARG 23 -8.831 -5.797 -2.624 188 2HH2 ARG 23 H ARG 23 -9.576 -4.480 -3.513 189 H HIS 24 H HIS 24 -8.925 -2.651 4.714 190 HA HIS 24 HA HIS 24 -9.247 -5.569 4.865 191 1HB HIS 24 HB2 HIS 24 -7.011 -4.841 4.983 192 2HB HIS 24 HB1 HIS 24 -7.410 -3.459 6.008 193 HD1 HIS 24 HD1 HIS 24 -6.130 -6.918 6.178 194 HD2 HIS 24 HD2 HIS 24 -7.920 -4.172 8.769 195 HE1 HIS 24 HE1 HIS 24 -5.704 -7.710 8.560 196 H GLN 25 H GLN 25 -9.915 -2.690 6.871 197 HA GLN 25 HA GLN 25 -10.769 -4.031 9.227 198 1HB GLN 25 HB2 GLN 25 -11.339 -1.326 7.973 199 2HB GLN 25 HB1 GLN 25 -12.080 -1.809 9.512 200 1HG GLN 25 HG2 GLN 25 -9.896 -2.135 10.534 201 2HG GLN 25 HG1 GLN 25 -9.081 -1.862 8.983 202 1HE2 GLN 25 HE2 GLN 25 -8.217 -0.324 11.024 203 2HE2 GLN 25 HE2 GLN 25 -8.845 1.308 10.924 204 H ARG 26 H ARG 26 -12.462 -3.027 6.230 205 HA ARG 26 HA ARG 26 -15.116 -3.562 6.941 206 1HB ARG 26 H ARG 26 -13.506 -3.613 4.409 207 2HB ARG 26 H ARG 26 -15.118 -4.361 4.376 208 1HG ARG 26 H ARG 26 -16.183 -2.315 5.057 209 2HG ARG 26 H ARG 26 -14.624 -1.555 5.452 210 1HD ARG 26 H ARG 26 -15.818 -1.022 3.141 211 2HD ARG 26 H ARG 26 -14.060 -1.220 3.220 212 HE ARG 26 H ARG 26 -14.219 -3.135 1.934 213 1HH1 ARG 26 H ARG 26 -17.446 -2.147 3.005 214 2HH1 ARG 26 H ARG 26 -18.267 -3.445 2.173 215 1HH2 ARG 26 H ARG 26 -15.287 -5.032 1.107 216 2HH2 ARG 26 H ARG 26 -17.035 -4.999 0.956 217 H GLY 27 H GLY 27 -12.734 -5.841 5.442 218 1HA GLY 27 HA2 GLY 27 -13.186 -8.089 6.924 219 2HA GLY 27 HA1 GLY 27 -14.559 -8.093 5.794 220 H ASP 28 H ASP 28 -12.721 -6.640 3.747 221 HA ASP 28 HA ASP 28 -11.739 -9.106 2.515 222 1HB ASP 28 H ASP 28 -11.472 -6.250 1.551 223 2HB ASP 28 H ASP 28 -11.374 -7.722 0.575 224 H THR 29 H THR 29 -10.388 -8.739 4.878 225 HA THR 29 HA THR 29 -7.956 -7.236 4.724 226 HB THR 29 HB THR 29 -8.536 -7.749 6.897 227 HG1 THR 29 HG1 THR 29 -6.873 -9.927 6.146 228 1HG2 THR 29 HG2 THR 29 -9.223 -10.155 7.549 229 2HG2 THR 29 HG2 THR 29 -10.383 -9.145 6.660 230 3HG2 THR 29 HG2 THR 29 -9.458 -10.405 5.803 231 H HIS 30 H HIS 30 -8.871 -9.934 2.887 232 HA HIS 30 HA HIS 30 -6.659 -11.635 2.914 233 1HB HIS 30 HB1 HIS 30 -7.509 -12.484 0.899 234 2HB HIS 30 HB2 HIS 30 -8.934 -11.788 1.686 235 HD1 HIS 30 HD1 HIS 30 -8.684 -8.803 0.927 236 HD2 HIS 30 HD2 HIS 30 -7.932 -11.930 -1.759 237 HE1 HIS 30 HE1 HIS 30 -8.946 -7.889 -1.431 238 HA PRO 31 HA PRO 31 -3.246 -9.436 1.152 239 1HB PRO 31 HB1 PRO 31 -2.479 -11.610 -0.633 240 2HB PRO 31 HB2 PRO 31 -1.687 -11.080 0.875 241 1HG PRO 31 HG2 PRO 31 -3.233 -13.453 0.461 242 2HG PRO 31 HG1 PRO 31 -2.597 -12.836 2.012 243 1HD PRO 31 HD2 PRO 31 -5.347 -12.840 1.039 244 2HD PRO 31 HD1 PRO 31 -4.726 -12.386 2.653 245 H LEU 32 H LEU 32 -2.559 -8.346 -0.787 246 HA LEU 32 HA LEU 32 -4.292 -8.768 -3.189 247 1HB LEU 32 HB2 LEU 32 -3.617 -6.201 -1.707 248 2HB LEU 32 HB1 LEU 32 -4.034 -6.193 -3.432 249 HG LEU 32 HG LEU 32 -5.786 -7.154 -1.136 250 1HD1 LEU 32 HD1 LEU 32 -6.319 -5.023 -3.238 251 2HD1 LEU 32 HD1 LEU 32 -7.104 -5.250 -1.654 252 3HD1 LEU 32 HD1 LEU 32 -5.438 -4.649 -1.733 253 1HD2 LEU 32 HD2 LEU 32 -6.014 -7.448 -4.142 254 2HD2 LEU 32 HD2 LEU 32 -6.360 -8.646 -2.880 255 3HD2 LEU 32 HD2 LEU 32 -7.475 -7.293 -3.148 256 H THR 33 H THR 33 -3.237 -8.562 -5.148 257 HA THR 33 HA THR 33 -0.334 -8.586 -5.175 258 HB THR 33 HB THR 33 -0.654 -8.563 -7.654 259 HG1 THR 33 HG1 THR 33 -3.423 -8.387 -7.054 260 1HG2 THR 33 HG2 THR 33 -2.233 -10.596 -7.775 261 2HG2 THR 33 HG2 THR 33 -0.818 -10.742 -6.715 262 3HG2 THR 33 HG2 THR 33 -2.418 -10.422 -6.016 263 H LEU 34 H LEU 34 0.808 -6.963 -6.759 264 HA LEU 34 HA LEU 34 0.550 -4.329 -5.718 265 1HB LEU 34 HB2 LEU 34 2.494 -5.648 -7.035 266 2HB LEU 34 HB1 LEU 34 1.770 -4.827 -8.432 267 HG LEU 34 HG LEU 34 3.516 -3.391 -7.654 268 1HD1 LEU 34 HD1 LEU 34 1.040 -2.237 -6.332 269 2HD1 LEU 34 HD1 LEU 34 1.251 -2.322 -8.097 270 3HD1 LEU 34 HD1 LEU 34 2.379 -1.368 -7.110 271 1HD2 LEU 34 HD2 LEU 34 3.714 -2.648 -5.301 272 2HD2 LEU 34 HD2 LEU 34 3.868 -4.411 -5.448 273 3HD2 LEU 34 HD2 LEU 34 2.354 -3.698 -4.852 274 H ASP 35 H ASP 35 -0.468 -5.803 -8.843 275 HA ASP 35 HA ASP 35 -1.565 -3.543 -10.073 276 1HB ASP 35 H ASP 35 -2.566 -6.417 -10.200 277 2HB ASP 35 H ASP 35 -2.838 -5.149 -11.415 278 H GLU 36 H GLU 36 -3.266 -5.976 -7.993 279 HA GLU 36 HA GLU 36 -5.837 -4.881 -8.080 280 1HB GLU 36 H GLU 36 -4.311 -6.409 -5.966 281 2HB GLU 36 H GLU 36 -5.997 -5.899 -5.710 282 1HG GLU 36 H GLU 36 -6.738 -7.107 -7.679 283 2HG GLU 36 H GLU 36 -5.065 -7.470 -8.150 284 H ILE 37 H ILE 37 -3.095 -3.965 -5.943 285 HA ILE 37 HA ILE 37 -4.608 -2.109 -4.378 286 HB ILE 37 HB ILE 37 -1.640 -2.415 -4.987 287 1HG1 ILE 37 HG1 ILE 37 -3.145 -2.818 -2.375 288 2HG1 ILE 37 HG1 ILE 37 -3.017 -4.110 -3.587 289 1HG2 ILE 37 HG2 ILE 37 -2.032 -0.046 -4.492 290 2HG2 ILE 37 HG2 ILE 37 -1.292 -0.822 -3.080 291 3HG2 ILE 37 HG2 ILE 37 -3.036 -0.479 -3.088 292 1HD1 ILE 37 HD1 ILE 37 -0.519 -3.877 -3.514 293 2HD1 ILE 37 HD1 ILE 37 -0.703 -2.694 -2.198 294 3HD1 ILE 37 HD1 ILE 37 -1.226 -4.375 -1.959 295 H LEU 38 H LEU 38 -2.304 -1.518 -7.139 296 HA LEU 38 HA LEU 38 -2.664 1.248 -7.324 297 1HB LEU 38 HB2 LEU 38 -2.249 -0.739 -9.587 298 2HB LEU 38 HB1 LEU 38 -1.995 1.013 -9.694 299 HG LEU 38 HG LEU 38 -0.490 -0.882 -7.852 300 1HD1 LEU 38 HD1 LEU 38 1.408 -0.404 -9.345 301 2HD1 LEU 38 HD1 LEU 38 0.375 0.657 -10.337 302 3HD1 LEU 38 HD1 LEU 38 0.058 -1.096 -10.270 303 1HD2 LEU 38 HD2 LEU 38 0.989 1.136 -7.494 304 2HD2 LEU 38 HD2 LEU 38 -0.232 2.117 -8.341 305 3HD2 LEU 38 HD2 LEU 38 -0.639 1.316 -6.803 306 H ASP 39 H ASP 39 -4.714 -1.344 -8.725 307 HA ASP 39 HA ASP 39 -6.271 0.251 -10.431 308 1HB ASP 39 H ASP 39 -6.308 -2.219 -10.359 309 2HB ASP 39 H ASP 39 -7.120 -2.161 -8.781 310 H GLU 40 H GLU 40 -6.925 -0.619 -6.990 311 HA GLU 40 HA GLU 40 -9.254 1.103 -6.885 312 1HB GLU 40 H GLU 40 -7.708 -0.630 -4.961 313 2HB GLU 40 H GLU 40 -8.897 0.532 -4.332 314 1HG GLU 40 H GLU 40 -10.653 -0.429 -5.751 315 2HG GLU 40 H GLU 40 -9.478 -1.517 -6.519 316 H THR 41 H THR 41 -5.817 1.397 -5.887 317 HA THR 41 HA THR 41 -6.323 4.031 -4.682 318 HB THR 41 HB THR 41 -3.906 3.970 -4.178 319 HG1 THR 41 HG1 THR 41 -3.453 2.675 -6.123 320 1HG2 THR 41 HG2 THR 41 -5.631 1.584 -3.494 321 2HG2 THR 41 HG2 THR 41 -3.983 1.735 -2.858 322 3HG2 THR 41 HG2 THR 41 -5.195 2.981 -2.481 323 H GLN 42 H GLN 42 -7.010 5.254 -6.331 324 HA GLN 42 HA GLN 42 -6.679 5.580 -8.901 325 1HB GLN 42 HB1 GLN 42 -6.264 7.899 -6.975 326 2HB GLN 42 HB2 GLN 42 -6.908 7.991 -8.629 327 1HG GLN 42 HG2 GLN 42 -8.921 7.846 -7.591 328 2HG GLN 42 HG1 GLN 42 -8.568 6.109 -7.563 329 1HE2 GLN 42 HE2 GLN 42 -8.846 5.145 -5.605 330 2HE2 GLN 42 HE2 GLN 42 -8.717 5.959 -4.057 331 H HIS 43 H HIS 43 -4.469 4.480 -9.303 332 HA HIS 43 HA HIS 43 -2.856 6.336 -10.649 333 1HB HIS 43 HB2 HIS 43 -0.696 5.823 -9.185 334 2HB HIS 43 HB1 HIS 43 -1.711 7.238 -8.914 335 HD1 HIS 43 HD1 HIS 43 -0.764 3.906 -7.353 336 HD2 HIS 43 HD2 HIS 43 -3.039 7.297 -6.440 337 HE1 HIS 43 HE1 HIS 43 -1.353 3.823 -4.872 338 H LEU 44 H LEU 44 -3.988 4.263 -11.657 339 HA LEU 44 HA LEU 44 -2.221 1.914 -11.592 340 1HB LEU 44 HB2 LEU 44 -4.899 2.150 -11.940 341 2HB LEU 44 HB1 LEU 44 -4.392 2.190 -13.640 342 HG LEU 44 HG LEU 44 -3.726 0.028 -11.579 343 1HD1 LEU 44 HD1 LEU 44 -6.064 0.091 -12.585 344 2HD1 LEU 44 HD1 LEU 44 -5.150 -1.397 -12.919 345 3HD1 LEU 44 HD1 LEU 44 -5.312 -0.149 -14.177 346 1HD2 LEU 44 HD2 LEU 44 -2.912 0.294 -14.512 347 2HD2 LEU 44 HD2 LEU 44 -1.821 0.317 -13.105 348 3HD2 LEU 44 HD2 LEU 44 -2.697 -1.169 -13.524 349 H ASP 45 H ASP 45 -0.603 3.825 -12.173 350 HA ASP 45 HA ASP 45 0.226 3.372 -14.922 351 1HB ASP 45 H ASP 45 -1.372 5.145 -15.377 352 2HB ASP 45 H ASP 45 -0.756 6.113 -14.020 353 H ILE 46 H ILE 46 0.443 5.380 -11.985 354 HA ILE 46 HA ILE 46 2.199 6.251 -10.830 355 HB ILE 46 HB ILE 46 3.981 4.137 -10.565 356 1HG1 ILE 46 HG1 ILE 46 1.202 3.003 -11.079 357 2HG1 ILE 46 HG1 ILE 46 2.672 2.679 -12.032 358 1HG2 ILE 46 HG2 ILE 46 1.376 4.390 -9.047 359 2HG2 ILE 46 HG2 ILE 46 2.735 5.523 -8.844 360 3HG2 ILE 46 HG2 ILE 46 2.960 3.800 -8.460 361 1HD1 ILE 46 HD1 ILE 46 2.693 0.868 -10.594 362 2HD1 ILE 46 HD1 ILE 46 1.969 1.794 -9.261 363 3HD1 ILE 46 HD1 ILE 46 3.665 2.036 -9.680 364 H GLY 47 H GLY 47 4.318 3.981 -12.477 365 1HA GLY 47 HA1 GLY 47 5.656 5.005 -14.446 366 2HA GLY 47 HA2 GLY 47 6.110 6.215 -13.215 367 H LEU 48 H LEU 48 8.153 4.666 -14.276 368 HA LEU 48 HA LEU 48 8.602 2.186 -13.007 369 1HB LEU 48 HB1 LEU 48 9.875 3.114 -14.957 370 2HB LEU 48 HB2 LEU 48 10.674 4.261 -13.860 371 HG LEU 48 HG LEU 48 10.764 1.414 -12.976 372 1HD1 LEU 48 HD1 LEU 48 11.021 1.102 -15.408 373 2HD1 LEU 48 HD1 LEU 48 12.574 0.835 -14.580 374 3HD1 LEU 48 HD1 LEU 48 12.281 2.360 -15.448 375 1HD2 LEU 48 HD2 LEU 48 13.118 2.047 -12.502 376 2HD2 LEU 48 HD2 LEU 48 11.988 3.238 -11.824 377 3HD2 LEU 48 HD2 LEU 48 12.866 3.604 -13.327 378 H LYS 49 H LYS 49 9.616 5.503 -12.021 379 HA LYS 49 HA LYS 49 11.088 4.839 -9.747 380 1HB LYS 49 H LYS 49 9.283 7.217 -10.342 381 2HB LYS 49 H LYS 49 10.356 7.136 -8.927 382 1HG LYS 49 H LYS 49 11.334 6.788 -11.799 383 2HG LYS 49 H LYS 49 11.324 8.346 -10.942 384 1HD LYS 49 H LYS 49 12.653 7.116 -9.078 385 2HD LYS 49 H LYS 49 12.927 5.846 -10.295 386 1HE LYS 49 H LYS 49 13.860 7.578 -11.840 387 2HE LYS 49 H LYS 49 13.660 8.796 -10.559 388 1HZ LYS 49 H LYS 49 15.143 7.507 -9.197 389 2HZ LYS 49 H LYS 49 15.876 7.926 -10.615 390 3HZ LYS 49 H LYS 49 15.334 6.384 -10.392 391 H GLN 50 H GLN 50 7.556 5.642 -9.857 392 HA GLN 50 HA GLN 50 7.180 5.137 -7.068 393 1HB GLN 50 HB2 GLN 50 5.281 5.351 -9.421 394 2HB GLN 50 HB1 GLN 50 4.728 5.125 -7.747 395 1HG GLN 50 HG2 GLN 50 6.531 7.393 -8.689 396 2HG GLN 50 HG1 GLN 50 4.776 7.527 -8.471 397 1HE2 GLN 50 HE2 GLN 50 7.440 8.561 -7.064 398 2HE2 GLN 50 HE2 GLN 50 7.040 8.402 -5.370 399 H LYS 51 H LYS 51 6.094 3.159 -9.941 400 HA LYS 51 HA LYS 51 5.057 0.992 -8.540 401 1HB LYS 51 H LYS 51 5.098 1.388 -11.070 402 2HB LYS 51 H LYS 51 6.764 0.774 -11.057 403 1HG LYS 51 H LYS 51 6.049 -1.388 -10.238 404 2HG LYS 51 H LYS 51 4.413 -0.783 -9.902 405 1HD LYS 51 H LYS 51 4.492 -2.129 -11.997 406 2HD LYS 51 H LYS 51 3.991 -0.450 -12.296 407 1HE LYS 51 H LYS 51 5.658 -1.298 -13.966 408 2HE LYS 51 H LYS 51 6.217 0.139 -13.091 409 1HZ LYS 51 H LYS 51 7.522 -1.269 -11.697 410 2HZ LYS 51 H LYS 51 6.950 -2.631 -12.430 411 3HZ LYS 51 H LYS 51 7.896 -1.575 -13.273 412 H GLN 52 H GLN 52 8.443 1.651 -9.391 413 HA GLN 52 HA GLN 52 9.432 -0.883 -8.445 414 1HB GLN 52 HB2 GLN 52 10.618 0.613 -10.077 415 2HB GLN 52 HB1 GLN 52 10.922 1.761 -8.753 416 1HG GLN 52 HG1 GLN 52 12.898 0.392 -9.005 417 2HG GLN 52 HG2 GLN 52 12.091 -0.107 -7.504 418 1HE2 GLN 52 HE2 GLN 52 13.369 -2.117 -7.780 419 2HE2 GLN 52 HE2 GLN 52 12.750 -3.376 -8.826 420 H TRP 53 H TRP 53 9.611 2.437 -7.035 421 HA TRP 53 HA TRP 53 10.796 1.753 -4.610 422 1HB TRP 53 HB1 TRP 53 10.582 4.038 -5.199 423 2HB TRP 53 HB2 TRP 53 8.828 3.906 -5.397 424 HD1 TRP 53 HD1 TRP 53 11.285 3.301 -2.480 425 HE1 TRP 53 HE1 TRP 53 10.305 4.273 -0.310 426 HE3 TRP 53 HE3 TRP 53 6.895 5.161 -4.354 427 HZ2 TRP 53 HZ2 TRP 53 7.939 5.641 0.495 428 HZ3 TRP 53 HZ3 TRP 53 5.298 6.283 -2.835 429 HH2 TRP 53 HH2 TRP 53 5.821 6.541 -0.421 430 H LEU 54 H LEU 54 7.269 1.985 -5.330 431 HA LEU 54 HA LEU 54 6.355 1.296 -2.771 432 1HB LEU 54 HB2 LEU 54 5.153 0.834 -5.527 433 2HB LEU 54 HB1 LEU 54 4.267 0.576 -4.008 434 HG LEU 54 HG LEU 54 5.611 3.226 -4.685 435 1HD1 LEU 54 HD1 LEU 54 2.725 2.368 -5.166 436 2HD1 LEU 54 HD1 LEU 54 3.372 4.011 -5.387 437 3HD1 LEU 54 HD1 LEU 54 3.937 2.684 -6.428 438 1HD2 LEU 54 HD2 LEU 54 5.119 3.006 -2.333 439 2HD2 LEU 54 HD2 LEU 54 3.840 4.025 -3.029 440 3HD2 LEU 54 HD2 LEU 54 3.517 2.312 -2.671 441 H MET 55 H MET 55 7.002 -0.809 -5.605 442 HA MET 55 HA MET 55 6.033 -3.181 -4.425 443 1HB MET 55 HB2 MET 55 6.374 -2.794 -6.847 444 2HB MET 55 HB1 MET 55 8.135 -2.819 -6.604 445 1HG MET 55 HG2 MET 55 7.950 -5.131 -5.700 446 2HG MET 55 HG1 MET 55 6.206 -5.098 -5.999 447 1HE MET 55 HE1 MET 55 5.876 -5.185 -9.833 448 2HE MET 55 HE2 MET 55 5.849 -3.737 -8.802 449 3HE MET 55 HE3 MET 55 5.061 -5.234 -8.253 450 H THR 56 H THR 56 9.543 -2.161 -4.780 451 HA THR 56 HA THR 56 10.131 -4.406 -2.895 452 HB THR 56 HB THR 56 11.015 -4.552 -5.231 453 HG1 THR 56 HG1 THR 56 12.868 -4.320 -3.092 454 1HG2 THR 56 HG2 THR 56 12.750 -2.202 -4.347 455 2HG2 THR 56 HG2 THR 56 11.483 -2.144 -5.590 456 3HG2 THR 56 HG2 THR 56 12.935 -3.131 -5.848 457 H GLU 57 H GLU 57 9.570 -1.304 -2.270 458 HA GLU 57 HA GLU 57 11.846 -1.219 -0.344 459 1HB GLU 57 H GLU 57 10.934 1.337 -1.648 460 2HB GLU 57 H GLU 57 12.450 0.985 -0.798 461 1HG GLU 57 H GLU 57 13.022 -0.600 -2.658 462 2HG GLU 57 H GLU 57 11.581 -0.026 -3.515 463 H ALA 58 H ALA 58 8.779 0.426 -1.315 464 HA ALA 58 HA ALA 58 8.492 1.433 1.340 465 1HB ALA 58 HB1 ALA 58 7.650 2.416 -0.915 466 2HB ALA 58 HB2 ALA 58 6.624 2.586 0.526 467 3HB ALA 58 HB3 ALA 58 6.257 1.338 -0.681 468 H LEU 59 H LEU 59 6.358 -0.771 -0.565 469 HA LEU 59 HA LEU 59 4.708 -1.444 1.640 470 1HB LEU 59 HB2 LEU 59 5.259 -2.924 -0.964 471 2HB LEU 59 HB1 LEU 59 3.900 -3.253 0.125 472 HG LEU 59 HG LEU 59 4.434 -0.580 -1.256 473 1HD1 LEU 59 HD1 LEU 59 2.462 -1.150 -2.616 474 2HD1 LEU 59 HD1 LEU 59 2.314 -2.710 -1.769 475 3HD1 LEU 59 HD1 LEU 59 3.725 -2.390 -2.806 476 1HD2 LEU 59 HD2 LEU 59 2.044 -0.144 -0.474 477 2HD2 LEU 59 HD2 LEU 59 2.210 -1.572 0.572 478 3HD2 LEU 59 HD2 LEU 59 3.269 -0.161 0.810 479 H VAL 60 H VAL 60 7.790 -2.835 0.561 480 HA VAL 60 HA VAL 60 7.478 -5.343 1.915 481 HB VAL 60 HB VAL 60 10.007 -5.437 1.674 482 1HG1 VAL 60 HG1 VAL 60 8.317 -4.747 -0.761 483 2HG1 VAL 60 HG1 VAL 60 8.492 -6.355 -0.023 484 3HG1 VAL 60 HG1 VAL 60 9.887 -5.580 -0.810 485 1HG2 VAL 60 HG2 VAL 60 11.127 -3.715 0.415 486 2HG2 VAL 60 HG2 VAL 60 10.303 -2.924 1.776 487 3HG2 VAL 60 HG2 VAL 60 9.604 -2.843 0.144 488 H ASN 61 H ASN 61 8.157 -2.123 3.161 489 HA ASN 61 HA ASN 61 8.740 -3.399 5.793 490 1HB ASN 61 HB1 ASN 61 10.497 -1.754 6.249 491 2HB ASN 61 HB2 ASN 61 10.895 -2.737 4.826 492 1HD2 ASN 61 HD2 ASN 61 12.374 -1.091 4.117 493 2HD2 ASN 61 HD2 ASN 61 11.779 0.347 3.319 494 H ASN 62 H ASN 62 6.428 -1.796 4.294 495 HA ASN 62 HA ASN 62 6.133 0.582 5.878 496 1HB ASN 62 HB2 ASN 62 5.002 0.204 3.697 497 2HB ASN 62 HB1 ASN 62 4.025 -1.063 4.451 498 1HD2 ASN 62 HD2 ASN 62 4.496 2.362 4.034 499 2HD2 ASN 62 HD2 ASN 62 3.110 2.894 4.957 500 HA PRO 63 HA PRO 63 5.231 -1.300 9.755 501 1HB PRO 63 HB2 PRO 63 3.398 0.855 10.500 502 2HB PRO 63 HB1 PRO 63 5.027 0.485 11.132 503 1HG PRO 63 HG1 PRO 63 4.274 2.604 9.333 504 2HG PRO 63 HG2 PRO 63 5.914 2.183 9.901 505 1HD PRO 63 HD1 PRO 63 4.789 1.797 7.273 506 2HD PRO 63 HD2 PRO 63 6.422 1.356 7.851 507 H LYS 64 H LYS 64 2.575 -0.275 7.588 508 HA LYS 64 HA LYS 64 0.775 -2.159 9.049 509 1HB LYS 64 H LYS 64 0.026 0.147 7.220 510 2HB LYS 64 H LYS 64 -1.080 -0.875 8.166 511 1HG LYS 64 H LYS 64 0.606 -0.056 10.151 512 2HG LYS 64 H LYS 64 0.720 1.342 9.060 513 1HD LYS 64 H LYS 64 -1.166 2.049 10.130 514 2HD LYS 64 H LYS 64 -2.002 0.894 9.069 515 1HE LYS 64 H LYS 64 -0.940 0.304 11.873 516 2HE LYS 64 H LYS 64 -2.642 0.587 11.453 517 1HZ LYS 64 H LYS 64 -0.999 -1.602 10.381 518 2HZ LYS 64 H LYS 64 -2.605 -1.359 10.116 519 3HZ LYS 64 H LYS 64 -2.071 -1.751 11.629 520 H ILE 65 H ILE 65 2.828 -2.930 6.984 521 HA ILE 65 HA ILE 65 0.900 -4.304 5.175 522 HB ILE 65 HB ILE 65 3.545 -3.065 4.311 523 1HG1 ILE 65 HG1 ILE 65 1.574 -1.450 4.632 524 2HG1 ILE 65 HG1 ILE 65 2.287 -1.489 3.011 525 1HG2 ILE 65 HG2 ILE 65 2.663 -3.780 2.007 526 2HG2 ILE 65 HG2 ILE 65 1.502 -4.801 2.885 527 3HG2 ILE 65 HG2 ILE 65 3.250 -5.077 3.070 528 1HD1 ILE 65 HD1 ILE 65 0.486 -2.881 2.170 529 2HD1 ILE 65 HD1 ILE 65 -0.179 -3.094 3.804 530 3HD1 ILE 65 HD1 ILE 65 -0.235 -1.501 3.025 531 H GLU 66 H GLU 66 1.563 -6.391 4.513 532 HA GLU 66 HA GLU 66 4.045 -7.477 5.700 533 1HB GLU 66 H GLU 66 2.202 -7.843 7.359 534 2HB GLU 66 H GLU 66 1.268 -8.688 6.109 535 1HG GLU 66 H GLU 66 2.491 -10.259 7.611 536 2HG GLU 66 H GLU 66 3.012 -10.405 5.922 537 H VAL 67 H VAL 67 4.824 -9.318 4.568 538 HA VAL 67 HA VAL 67 3.705 -9.551 1.835 539 HB VAL 67 HB VAL 67 6.278 -10.623 3.073 540 1HG1 VAL 67 HG1 VAL 67 6.931 -10.939 0.672 541 2HG1 VAL 67 HG1 VAL 67 5.277 -10.491 0.189 542 3HG1 VAL 67 HG1 VAL 67 5.560 -11.968 1.143 543 1HG2 VAL 67 HG2 VAL 67 7.315 -8.788 1.699 544 2HG2 VAL 67 HG2 VAL 67 6.267 -8.175 3.000 545 3HG2 VAL 67 HG2 VAL 67 5.679 -8.196 1.320 546 H ILE 68 H ILE 68 2.120 -11.019 1.582 547 HA ILE 68 HA ILE 68 2.462 -13.684 2.894 548 HB ILE 68 HB ILE 68 -0.157 -12.158 2.536 549 1HG1 ILE 68 HG1 ILE 68 1.563 -12.678 5.010 550 2HG1 ILE 68 HG1 ILE 68 1.186 -11.098 4.286 551 1HG2 ILE 68 HG2 ILE 68 -0.260 -14.677 2.412 552 2HG2 ILE 68 HG2 ILE 68 0.471 -14.746 4.033 553 3HG2 ILE 68 HG2 ILE 68 -1.132 -14.007 3.806 554 1HD1 ILE 68 HD1 ILE 68 -0.311 -11.306 6.124 555 2HD1 ILE 68 HD1 ILE 68 -0.697 -12.996 5.728 556 3HD1 ILE 68 HD1 ILE 68 -1.293 -11.680 4.688 557 H ASP 69 H ASP 69 2.460 -15.315 1.455 558 HA ASP 69 HA ASP 69 2.302 -16.450 -0.524 559 1HB ASP 69 H ASP 69 -0.123 -16.220 0.013 560 2HB ASP 69 H ASP 69 -0.176 -14.713 -0.922 561 H GLY 70 H GLY 70 3.817 -13.858 -0.364 562 1HA GLY 70 HA2 GLY 70 5.204 -12.782 -1.879 563 2HA GLY 70 HA1 GLY 70 4.346 -13.573 -3.219 564 H LYS 71 H LYS 71 1.769 -12.468 -1.649 565 HA LYS 71 HA LYS 71 1.679 -9.963 -3.219 566 1HB LYS 71 H LYS 71 -0.629 -10.986 -1.582 567 2HB LYS 71 H LYS 71 -0.629 -10.158 -3.144 568 1HG LYS 71 H LYS 71 0.150 -13.061 -2.627 569 2HG LYS 71 H LYS 71 -1.291 -12.475 -3.477 570 1HD LYS 71 H LYS 71 0.391 -11.278 -5.072 571 2HD LYS 71 H LYS 71 1.602 -12.379 -4.391 572 1HE LYS 71 H LYS 71 -1.016 -13.236 -5.695 573 2HE LYS 71 H LYS 71 0.587 -13.296 -6.460 574 1HZ LYS 71 H LYS 71 0.183 -15.401 -5.618 575 2HZ LYS 71 H LYS 71 -0.378 -14.853 -4.165 576 3HZ LYS 71 H LYS 71 1.229 -14.727 -4.532 577 H TYR 72 H TYR 72 0.337 -8.160 -2.000 578 HA TYR 72 HA TYR 72 1.736 -7.725 0.594 579 1HB TYR 72 HB1 TYR 72 0.469 -5.755 -1.339 580 2HB TYR 72 HB2 TYR 72 1.373 -5.347 0.130 581 HD1 TYR 72 HD1 TYR 72 3.819 -5.631 0.229 582 HD2 TYR 72 HD2 TYR 72 1.604 -6.557 -3.349 583 HE1 TYR 72 HE1 TYR 72 5.935 -5.686 -1.071 584 HE2 TYR 72 HE2 TYR 72 3.722 -6.623 -4.642 585 HH TYR 72 HH TYR 72 6.864 -5.776 -3.194 586 H ALA 73 H ALA 73 0.560 -8.001 2.362 587 HA ALA 73 HA ALA 73 -2.397 -7.592 2.226 588 1HB ALA 73 HB1 ALA 73 -2.485 -9.137 4.136 589 2HB ALA 73 HB2 ALA 73 -1.619 -9.896 2.780 590 3HB ALA 73 HB3 ALA 73 -0.708 -9.238 4.157 591 H PHE 74 H PHE 74 -3.388 -6.370 3.903 592 HA PHE 74 HA PHE 74 -1.690 -4.308 5.039 593 1HB PHE 74 HB2 PHE 74 -3.929 -3.773 4.307 594 2HB PHE 74 HB1 PHE 74 -4.629 -4.991 5.365 595 HD1 PHE 74 HD1 PHE 74 -4.842 -4.604 7.764 596 HD2 PHE 74 HD2 PHE 74 -3.037 -1.650 5.220 597 HE1 PHE 74 HE1 PHE 74 -5.122 -2.915 9.551 598 HE2 PHE 74 HE2 PHE 74 -3.287 0.042 7.017 599 HZ PHE 74 HZ PHE 74 -4.366 -0.586 9.174 600 H LYS 75 H LYS 75 -0.568 -4.467 6.878 601 HA LYS 75 HA LYS 75 -1.054 -6.732 8.683 602 1HB LYS 75 H LYS 75 1.225 -5.882 7.829 603 2HB LYS 75 H LYS 75 1.024 -4.540 8.973 604 1HG LYS 75 H LYS 75 0.831 -6.125 10.843 605 2HG LYS 75 H LYS 75 0.909 -7.498 9.711 606 1HD LYS 75 H LYS 75 3.176 -6.636 8.957 607 2HD LYS 75 H LYS 75 3.099 -5.450 10.281 608 1HE LYS 75 H LYS 75 3.122 -7.156 11.951 609 2HE LYS 75 H LYS 75 2.731 -8.428 10.773 610 1HZ LYS 75 H LYS 75 5.048 -8.413 11.417 611 2HZ LYS 75 H LYS 75 4.861 -8.154 9.796 612 3HZ LYS 75 H LYS 75 5.235 -6.895 10.802 613 HA PRO 76 HA PRO 76 -3.625 -3.941 11.110 614 1HB PRO 76 HB2 PRO 76 -4.033 -5.849 13.180 615 2HB PRO 76 HB1 PRO 76 -5.115 -5.515 11.801 616 1HG PRO 76 HG1 PRO 76 -3.346 -7.823 12.248 617 2HG PRO 76 HG2 PRO 76 -4.641 -7.614 11.037 618 1HD PRO 76 HD1 PRO 76 -1.814 -7.509 10.594 619 2HD PRO 76 HD2 PRO 76 -3.111 -7.136 9.422 620 H LYS 77 H LYS 77 -1.487 -6.231 12.896 621 HA LYS 77 HA LYS 77 0.170 -5.914 14.424 622 1HB LYS 77 H LYS 77 0.866 -4.057 12.787 623 2HB LYS 77 H LYS 77 0.079 -2.922 13.907 624 1HG LYS 77 H LYS 77 1.517 -3.666 15.740 625 2HG LYS 77 H LYS 77 2.239 -4.917 14.705 626 1HD LYS 77 H LYS 77 3.753 -3.003 14.814 627 2HD LYS 77 H LYS 77 3.078 -3.118 13.171 628 1HE LYS 77 H LYS 77 1.541 -1.315 13.577 629 2HE LYS 77 H LYS 77 1.850 -1.352 15.326 630 1HZ LYS 77 H LYS 77 3.800 -0.600 13.262 631 2HZ LYS 77 H LYS 77 2.991 0.444 14.251 632 3HZ LYS 77 H LYS 77 4.077 -0.622 14.888 633 H TYR 78 H TYR 78 -1.672 -2.836 14.812 634 HA TYR 78 HA TYR 78 -2.908 -3.870 17.288 635 1HB TYR 78 HB2 TYR 78 -1.111 -1.413 17.163 636 2HB TYR 78 HB1 TYR 78 -2.206 -1.781 18.507 637 HD1 TYR 78 HD1 TYR 78 -1.923 -4.384 19.354 638 HD2 TYR 78 HD2 TYR 78 1.125 -1.936 17.544 639 HE1 TYR 78 HE1 TYR 78 -0.169 -5.778 20.421 640 HE2 TYR 78 HE2 TYR 78 2.878 -3.334 18.613 641 HH TYR 78 HH TYR 78 2.075 -6.124 20.708 642 H ASN 79 H ASN 79 -4.111 -3.518 14.847 643 HA ASN 79 HA ASN 79 -5.863 -1.178 15.382 644 1HB ASN 79 HB2 ASN 79 -4.316 -0.399 13.678 645 2HB ASN 79 HB1 ASN 79 -4.532 -1.890 12.736 646 1HD2 ASN 79 HD2 ASN 79 -6.760 0.480 14.334 647 2HD2 ASN 79 HD2 ASN 79 -7.783 0.708 12.933 648 H VAL 80 H VAL 80 -7.791 -2.084 15.776 649 HA VAL 80 HA VAL 80 -8.784 -4.169 13.901 650 HB VAL 80 HB VAL 80 -7.868 -5.114 16.093 651 1HG1 VAL 80 HG1 VAL 80 -9.103 -4.804 18.129 652 2HG1 VAL 80 HG1 VAL 80 -8.759 -3.181 17.490 653 3HG1 VAL 80 HG1 VAL 80 -10.381 -3.887 17.302 654 1HG2 VAL 80 HG2 VAL 80 -10.853 -5.566 15.687 655 2HG2 VAL 80 HG2 VAL 80 -9.602 -6.229 14.611 656 3HG2 VAL 80 HG2 VAL 80 -9.653 -6.711 16.322 657 H ARG 81 H ARG 81 -9.129 -1.170 14.259 658 HA ARG 81 HA ARG 81 -11.734 -0.706 15.373 659 1HB ARG 81 H ARG 81 -10.109 1.098 15.177 660 2HB ARG 81 H ARG 81 -9.991 0.860 13.420 661 1HG ARG 81 H ARG 81 -11.427 2.804 13.978 662 2HG ARG 81 H ARG 81 -12.354 1.536 13.146 663 1HD ARG 81 H ARG 81 -13.317 0.776 15.237 664 2HD ARG 81 H ARG 81 -12.239 1.831 16.180 665 HE ARG 81 H ARG 81 -13.626 3.543 14.479 666 1HH1 ARG 81 H ARG 81 -14.463 1.153 16.955 667 2HH1 ARG 81 H ARG 81 -15.931 1.970 17.442 668 1HH2 ARG 81 H ARG 81 -15.574 4.608 15.114 669 2HH2 ARG 81 H ARG 81 -16.566 3.940 16.388 Start of MODEL 3 1 1H ALA 1 H1 ALA 1 11.556 13.306 -11.975 2 2H ALA 1 H2 ALA 1 11.700 14.268 -13.308 3 3H ALA 1 H3 ALA 1 12.792 14.395 -12.080 4 HA ALA 1 HA ALA 1 9.938 15.040 -11.907 5 1HB ALA 1 HB1 ALA 1 12.160 15.500 -9.876 6 2HB ALA 1 HB2 ALA 1 10.974 14.174 -9.793 7 3HB ALA 1 HB3 ALA 1 10.429 15.863 -9.674 8 H LEU 2 H LEU 2 10.001 17.515 -10.947 9 HA LEU 2 HA LEU 2 11.935 19.112 -12.520 10 1HB LEU 2 HB2 LEU 2 9.958 18.743 -13.987 11 2HB LEU 2 HB1 LEU 2 8.899 19.377 -12.708 12 HG LEU 2 HG LEU 2 10.153 21.558 -12.811 13 1HD1 LEU 2 HD1 LEU 2 11.548 20.127 -15.114 14 2HD1 LEU 2 HD1 LEU 2 11.541 21.898 -14.931 15 3HD1 LEU 2 HD1 LEU 2 12.299 20.881 -13.687 16 1HD2 LEU 2 HD2 LEU 2 8.055 21.205 -14.082 17 2HD2 LEU 2 HD2 LEU 2 9.167 22.286 -14.955 18 3HD2 LEU 2 HD2 LEU 2 8.998 20.587 -15.460 19 H SER 3 H SER 3 12.501 20.994 -11.479 20 HA SER 3 HA SER 3 12.769 22.421 -9.706 21 1HB SER 3 HB1 SER 3 9.726 22.235 -9.576 22 2HB SER 3 HB2 SER 3 10.736 23.533 -8.898 23 HG SER 3 HG SER 3 11.446 23.973 -11.028 24 H GLY 4 H GLY 4 13.475 19.979 -8.946 25 1HA GLY 4 HA1 GLY 4 13.910 18.816 -6.998 26 2HA GLY 4 HA2 GLY 4 12.814 19.910 -6.122 27 H SER 5 H SER 5 11.450 18.517 -5.059 28 HA SER 5 HA SER 5 9.491 17.071 -6.638 29 1HB SER 5 HB2 SER 5 11.314 15.408 -6.641 30 2HB SER 5 HB1 SER 5 11.436 15.521 -4.868 31 HG SER 5 HG SER 5 9.366 14.693 -4.705 32 H SER 6 H SER 6 7.595 17.250 -5.566 33 HA SER 6 HA SER 6 7.516 18.449 -2.943 34 1HB SER 6 HB1 SER 6 5.017 17.980 -3.238 35 2HB SER 6 HB2 SER 6 5.772 18.990 -4.495 36 HG SER 6 HG SER 6 4.480 17.327 -5.390 37 H GLY 7 H GLY 7 6.125 15.338 -4.125 38 1HA GLY 7 HA2 GLY 7 7.354 13.657 -2.224 39 2HA GLY 7 HA1 GLY 7 5.817 14.218 -1.524 40 H TYR 8 H TYR 8 6.940 13.250 -4.818 41 HA TYR 8 HA TYR 8 4.401 11.959 -5.389 42 1HB TYR 8 HB2 TYR 8 5.339 11.533 -7.561 43 2HB TYR 8 HB1 TYR 8 5.717 13.189 -7.082 44 HD1 TYR 8 HD1 TYR 8 8.075 11.588 -5.155 45 HD2 TYR 8 HD2 TYR 8 7.109 12.138 -9.325 46 HE1 TYR 8 HE1 TYR 8 10.441 11.208 -5.756 47 HE2 TYR 8 HE2 TYR 8 9.489 11.749 -9.914 48 HH TYR 8 HH TYR 8 11.986 11.098 -7.439 49 H LYS 9 H LYS 9 5.234 10.738 -3.131 50 HA LYS 9 HA LYS 9 5.368 7.987 -3.915 51 1HB LYS 9 H LYS 9 7.506 7.423 -2.809 52 2HB LYS 9 H LYS 9 7.731 8.422 -4.248 53 1HG LYS 9 H LYS 9 7.831 10.441 -2.696 54 2HG LYS 9 H LYS 9 7.878 9.292 -1.341 55 1HD LYS 9 H LYS 9 9.854 9.328 -3.667 56 2HD LYS 9 H LYS 9 10.163 10.018 -2.058 57 1HE LYS 9 H LYS 9 9.641 7.704 -1.096 58 2HE LYS 9 H LYS 9 9.671 7.096 -2.765 59 1HZ LYS 9 H LYS 9 11.775 6.824 -1.696 60 2HZ LYS 9 H LYS 9 11.890 8.441 -1.392 61 3HZ LYS 9 H LYS 9 11.915 7.891 -2.947 62 H PHE 10 H PHE 10 5.966 10.327 -1.256 63 HA PHE 10 HA PHE 10 5.059 8.543 0.801 64 1HB PHE 10 HB2 PHE 10 5.034 11.569 0.911 65 2HB PHE 10 HB1 PHE 10 5.284 10.418 2.236 66 HD1 PHE 10 HD1 PHE 10 6.906 12.606 -0.019 67 HD2 PHE 10 HD2 PHE 10 7.361 8.766 1.873 68 HE1 PHE 10 HE1 PHE 10 9.348 12.687 -0.440 69 HE2 PHE 10 HE2 PHE 10 9.803 8.849 1.452 70 HZ PHE 10 HZ PHE 10 10.804 10.815 0.307 71 H GLY 11 H GLY 11 3.473 11.145 -1.115 72 1HA GLY 11 HA1 GLY 11 0.993 11.143 0.266 73 2HA GLY 11 HA2 GLY 11 1.251 11.647 -1.419 74 H VAL 12 H VAL 12 2.058 9.359 -2.685 75 HA VAL 12 HA VAL 12 -0.382 7.963 -3.089 76 HB VAL 12 HB VAL 12 2.498 7.338 -3.869 77 1HG1 VAL 12 HG1 VAL 12 1.337 5.237 -3.946 78 2HG1 VAL 12 HG1 VAL 12 1.336 5.857 -5.611 79 3HG1 VAL 12 HG1 VAL 12 -0.130 5.991 -4.613 80 1HG2 VAL 12 HG2 VAL 12 1.731 8.165 -6.081 81 2HG2 VAL 12 HG2 VAL 12 1.531 9.412 -4.828 82 3HG2 VAL 12 HG2 VAL 12 0.119 8.491 -5.401 83 H LEU 13 H LEU 13 2.621 7.073 -1.292 84 HA LEU 13 HA LEU 13 1.836 4.455 -0.576 85 1HB LEU 13 HB2 LEU 13 4.115 5.279 -0.321 86 2HB LEU 13 HB1 LEU 13 3.586 6.487 0.868 87 HG LEU 13 HG LEU 13 2.849 4.634 2.385 88 1HD1 LEU 13 HD1 LEU 13 2.372 2.855 0.817 89 2HD1 LEU 13 HD1 LEU 13 3.748 2.317 1.804 90 3HD1 LEU 13 HD1 LEU 13 4.020 2.919 0.153 91 1HD2 LEU 13 HD2 LEU 13 5.154 3.846 2.948 92 2HD2 LEU 13 HD2 LEU 13 5.730 4.510 1.400 93 3HD2 LEU 13 HD2 LEU 13 5.084 5.598 2.649 94 H ALA 14 H ALA 14 1.314 7.600 1.119 95 HA ALA 14 HA ALA 14 0.018 6.516 3.408 96 1HB ALA 14 HB1 ALA 14 0.889 8.821 3.273 97 2HB ALA 14 HB2 ALA 14 -0.838 8.821 3.701 98 3HB ALA 14 HB3 ALA 14 -0.333 9.222 2.043 99 H LYS 15 H LYS 15 -1.265 7.626 0.221 100 HA LYS 15 HA LYS 15 -4.017 7.300 0.872 101 1HB LYS 15 H LYS 15 -3.096 8.557 -1.096 102 2HB LYS 15 H LYS 15 -2.650 7.003 -1.839 103 1HG LYS 15 H LYS 15 -5.007 6.290 -1.825 104 2HG LYS 15 H LYS 15 -5.476 7.797 -1.001 105 1HD LYS 15 H LYS 15 -4.772 9.129 -2.921 106 2HD LYS 15 H LYS 15 -4.089 7.692 -3.716 107 1HE LYS 15 H LYS 15 -6.261 8.174 -4.706 108 2HE LYS 15 H LYS 15 -6.377 6.674 -3.766 109 1HZ LYS 15 H LYS 15 -7.364 7.911 -1.996 110 2HZ LYS 15 H LYS 15 -7.210 9.329 -2.825 111 3HZ LYS 15 H LYS 15 -8.223 8.153 -3.383 112 H ILE 16 H ILE 16 -1.578 5.077 -0.564 113 HA ILE 16 HA ILE 16 -3.342 2.908 -1.033 114 HB ILE 16 HB ILE 16 -0.350 3.126 -0.564 115 1HG1 ILE 16 HG1 ILE 16 -1.864 2.217 -3.042 116 2HG1 ILE 16 HG1 ILE 16 -1.588 3.943 -2.713 117 1HG2 ILE 16 HG2 ILE 16 -0.887 0.932 0.263 118 2HG2 ILE 16 HG2 ILE 16 -0.310 0.708 -1.400 119 3HG2 ILE 16 HG2 ILE 16 -2.051 0.651 -1.050 120 1HD1 ILE 16 HD1 ILE 16 0.881 3.433 -2.524 121 2HD1 ILE 16 HD1 ILE 16 0.204 3.139 -4.143 122 3HD1 ILE 16 HD1 ILE 16 0.532 1.772 -3.055 123 H VAL 17 H VAL 17 -1.203 3.626 1.778 124 HA VAL 17 HA VAL 17 -1.881 1.394 3.345 125 HB VAL 17 HB VAL 17 -0.940 4.214 3.925 126 1HG1 VAL 17 HG1 VAL 17 -1.692 2.078 5.965 127 2HG1 VAL 17 HG1 VAL 17 -2.307 3.747 5.865 128 3HG1 VAL 17 HG1 VAL 17 -0.615 3.450 6.321 129 1HG2 VAL 17 HG2 VAL 17 0.278 1.468 4.462 130 2HG2 VAL 17 HG2 VAL 17 0.588 2.436 3.000 131 3HG2 VAL 17 HG2 VAL 17 1.092 3.045 4.592 132 H ASN 18 H ASN 18 -3.448 4.646 3.183 133 HA ASN 18 HA ASN 18 -5.394 4.163 5.185 134 1HB ASN 18 HB2 ASN 18 -4.818 6.387 4.233 135 2HB ASN 18 HB1 ASN 18 -5.593 5.919 2.705 136 1HD2 ASN 18 HD2 ASN 18 -6.102 6.825 6.082 137 2HD2 ASN 18 HD2 ASN 18 -7.832 7.067 5.963 138 H TYR 19 H TYR 19 -5.566 3.722 1.600 139 HA TYR 19 HA TYR 19 -8.264 2.860 1.509 140 1HB TYR 19 HB1 TYR 19 -7.632 3.183 -0.636 141 2HB TYR 19 HB2 TYR 19 -5.922 2.917 -0.265 142 HD1 TYR 19 HD1 TYR 19 -9.139 1.019 -0.731 143 HD2 TYR 19 HD2 TYR 19 -4.844 0.983 -1.031 144 HE1 TYR 19 HE1 TYR 19 -9.224 -1.238 -1.758 145 HE2 TYR 19 HE2 TYR 19 -4.939 -1.266 -2.059 146 HH TYR 19 HH TYR 19 -7.998 -2.887 -2.852 147 H MET 20 H MET 20 -5.233 0.880 1.534 148 HA MET 20 HA MET 20 -6.496 -1.633 1.561 149 1HB MET 20 HB2 MET 20 -3.886 -0.678 1.562 150 2HB MET 20 HB1 MET 20 -4.001 -1.473 3.145 151 1HG MET 20 HG2 MET 20 -4.736 -2.703 0.458 152 2HG MET 20 HG1 MET 20 -3.254 -3.030 1.367 153 1HE MET 20 HE1 MET 20 -5.494 -5.155 0.190 154 2HE MET 20 HE2 MET 20 -5.349 -6.366 1.484 155 3HE MET 20 HE3 MET 20 -3.896 -5.557 0.857 156 H LYS 21 H LYS 21 -5.644 0.580 4.253 157 HA LYS 21 HA LYS 21 -6.301 -1.194 6.375 158 1HB LYS 21 H LYS 21 -5.054 0.909 6.666 159 2HB LYS 21 H LYS 21 -6.480 1.836 6.194 160 1HG LYS 21 H LYS 21 -6.913 -0.130 8.396 161 2HG LYS 21 H LYS 21 -5.838 1.229 8.790 162 1HD LYS 21 H LYS 21 -8.648 1.511 7.626 163 2HD LYS 21 H LYS 21 -8.219 1.723 9.336 164 1HE LYS 21 H LYS 21 -7.795 3.883 8.871 165 2HE LYS 21 H LYS 21 -6.373 3.331 7.963 166 1HZ LYS 21 H LYS 21 -9.079 3.683 6.843 167 2HZ LYS 21 H LYS 21 -7.737 3.228 5.996 168 3HZ LYS 21 H LYS 21 -7.826 4.739 6.657 169 H THR 22 H THR 22 -8.281 1.161 4.499 170 HA THR 22 HA THR 22 -10.655 0.814 6.060 171 HB THR 22 HB THR 22 -10.320 1.701 3.158 172 HG1 THR 22 HG1 THR 22 -10.120 3.726 4.053 173 1HG2 THR 22 HG2 THR 22 -12.529 2.178 5.210 174 2HG2 THR 22 HG2 THR 22 -12.660 1.179 3.742 175 3HG2 THR 22 HG2 THR 22 -12.436 2.937 3.604 176 H ARG 23 H ARG 23 -9.521 -0.728 2.982 177 HA ARG 23 HA ARG 23 -11.896 -2.310 2.644 178 1HB ARG 23 H ARG 23 -10.399 -1.836 0.774 179 2HB ARG 23 H ARG 23 -9.057 -2.674 1.590 180 1HG ARG 23 H ARG 23 -9.921 -4.770 1.165 181 2HG ARG 23 H ARG 23 -11.606 -4.212 1.268 182 1HD ARG 23 H ARG 23 -11.187 -2.987 -0.950 183 2HD ARG 23 H ARG 23 -9.684 -3.934 -1.070 184 HE ARG 23 H ARG 23 -11.477 -5.901 -0.611 185 1HH1 ARG 23 H ARG 23 -11.197 -3.394 -3.080 186 2HH1 ARG 23 H ARG 23 -12.543 -3.989 -4.029 187 1HH2 ARG 23 H ARG 23 -13.204 -6.735 -1.898 188 2HH2 ARG 23 H ARG 23 -13.486 -6.050 -3.490 189 H HIS 24 H HIS 24 -8.739 -2.890 4.227 190 HA HIS 24 HA HIS 24 -9.163 -5.616 4.908 191 1HB HIS 24 HB1 HIS 24 -6.979 -4.568 5.035 192 2HB HIS 24 HB2 HIS 24 -7.566 -3.377 6.205 193 HD1 HIS 24 HD1 HIS 24 -6.191 -6.850 5.929 194 HD2 HIS 24 HD2 HIS 24 -7.941 -4.424 8.851 195 HE1 HIS 24 HE1 HIS 24 -5.750 -7.919 8.198 196 H GLN 25 H GLN 25 -9.897 -2.535 6.591 197 HA GLN 25 HA GLN 25 -11.265 -3.875 8.787 198 1HB GLN 25 HB2 GLN 25 -9.981 -1.664 8.902 199 2HB GLN 25 HB1 GLN 25 -11.317 -0.930 7.990 200 1HG GLN 25 HG2 GLN 25 -11.683 -0.551 10.367 201 2HG GLN 25 HG1 GLN 25 -12.898 -1.701 9.783 202 1HE2 GLN 25 HE2 GLN 25 -9.584 -1.642 11.214 203 2HE2 GLN 25 HE2 GLN 25 -9.817 -3.042 12.238 204 H ARG 26 H ARG 26 -12.462 -5.048 6.813 205 HA ARG 26 HA ARG 26 -15.185 -4.063 6.849 206 1HB ARG 26 H ARG 26 -13.456 -3.265 4.668 207 2HB ARG 26 H ARG 26 -14.687 -4.385 4.048 208 1HG ARG 26 H ARG 26 -16.472 -3.004 4.754 209 2HG ARG 26 H ARG 26 -15.448 -2.108 5.895 210 1HD ARG 26 H ARG 26 -14.107 -1.399 3.748 211 2HD ARG 26 H ARG 26 -15.573 -1.895 2.878 212 HE ARG 26 H ARG 26 -16.616 0.027 3.613 213 1HH1 ARG 26 H ARG 26 -13.806 -0.650 5.682 214 2HH1 ARG 26 H ARG 26 -13.986 0.814 6.622 215 1HH2 ARG 26 H ARG 26 -16.790 1.988 4.816 216 2HH2 ARG 26 H ARG 26 -15.658 2.335 6.102 217 H GLY 27 H GLY 27 -12.861 -6.180 5.046 218 1HA GLY 27 HA2 GLY 27 -13.923 -8.600 6.044 219 2HA GLY 27 HA1 GLY 27 -14.752 -8.242 4.513 220 H ASP 28 H ASP 28 -12.747 -7.052 2.998 221 HA ASP 28 HA ASP 28 -11.199 -9.399 2.251 222 1HB ASP 28 H ASP 28 -11.401 -6.556 1.220 223 2HB ASP 28 H ASP 28 -10.276 -7.739 0.526 224 H THR 29 H THR 29 -10.107 -9.513 4.435 225 HA THR 29 HA THR 29 -8.005 -7.540 4.934 226 HB THR 29 HB THR 29 -7.438 -9.050 6.819 227 HG1 THR 29 HG1 THR 29 -7.911 -11.030 5.893 228 1HG2 THR 29 HG2 THR 29 -9.645 -8.940 7.998 229 2HG2 THR 29 HG2 THR 29 -10.408 -8.484 6.458 230 3HG2 THR 29 HG2 THR 29 -9.192 -7.422 7.198 231 H HIS 30 H HIS 30 -8.407 -10.259 2.883 232 HA HIS 30 HA HIS 30 -5.848 -11.469 3.030 233 1HB HIS 30 HB1 HIS 30 -6.553 -12.712 1.209 234 2HB HIS 30 HB2 HIS 30 -8.107 -12.175 1.864 235 HD1 HIS 30 HD1 HIS 30 -8.505 -9.410 0.693 236 HD2 HIS 30 HD2 HIS 30 -6.799 -12.538 -1.506 237 HE1 HIS 30 HE1 HIS 30 -8.781 -8.863 -1.776 238 HA PRO 31 HA PRO 31 -3.251 -8.574 0.979 239 1HB PRO 31 HB2 PRO 31 -1.586 -10.381 -0.415 240 2HB PRO 31 HB1 PRO 31 -1.326 -9.776 1.231 241 1HG PRO 31 HG2 PRO 31 -2.192 -12.442 0.359 242 2HG PRO 31 HG1 PRO 31 -1.667 -11.902 1.975 243 1HD PRO 31 HD1 PRO 31 -4.345 -12.448 1.095 244 2HD PRO 31 HD2 PRO 31 -3.823 -11.801 2.678 245 H LEU 32 H LEU 32 -2.648 -7.673 -1.094 246 HA LEU 32 HA LEU 32 -4.050 -8.835 -3.460 247 1HB LEU 32 HB2 LEU 32 -4.179 -6.038 -2.297 248 2HB LEU 32 HB1 LEU 32 -4.405 -6.308 -4.033 249 HG LEU 32 HG LEU 32 -6.055 -7.603 -1.810 250 1HD1 LEU 32 HD1 LEU 32 -6.466 -5.170 -2.100 251 2HD1 LEU 32 HD1 LEU 32 -6.732 -5.424 -3.844 252 3HD1 LEU 32 HD1 LEU 32 -7.858 -6.129 -2.655 253 1HD2 LEU 32 HD2 LEU 32 -7.550 -8.148 -3.854 254 2HD2 LEU 32 HD2 LEU 32 -6.079 -9.123 -3.658 255 3HD2 LEU 32 HD2 LEU 32 -6.117 -7.798 -4.842 256 H THR 33 H THR 33 -3.000 -8.406 -5.478 257 HA THR 33 HA THR 33 -0.160 -8.111 -5.390 258 HB THR 33 HB THR 33 -0.303 -7.881 -7.848 259 HG1 THR 33 HG1 THR 33 -3.108 -7.842 -7.452 260 1HG2 THR 33 HG2 THR 33 -1.627 -9.959 -8.338 261 2HG2 THR 33 HG2 THR 33 -0.480 -10.144 -6.993 262 3HG2 THR 33 HG2 THR 33 -2.214 -9.931 -6.663 263 H LEU 34 H LEU 34 1.039 -6.340 -6.597 264 HA LEU 34 HA LEU 34 0.593 -3.833 -5.373 265 1HB LEU 34 HB2 LEU 34 2.683 -4.956 -6.574 266 2HB LEU 34 HB1 LEU 34 2.073 -4.081 -7.993 267 HG LEU 34 HG LEU 34 2.615 -2.762 -5.290 268 1HD1 LEU 34 HD1 LEU 34 4.663 -3.739 -6.330 269 2HD1 LEU 34 HD1 LEU 34 4.346 -2.767 -7.786 270 3HD1 LEU 34 HD1 LEU 34 4.696 -1.965 -6.236 271 1HD2 LEU 34 HD2 LEU 34 2.752 -0.738 -6.942 272 2HD2 LEU 34 HD2 LEU 34 1.158 -1.353 -6.459 273 3HD2 LEU 34 HD2 LEU 34 1.836 -1.794 -8.043 274 H ASP 35 H ASP 35 -0.044 -4.904 -8.781 275 HA ASP 35 HA ASP 35 -1.172 -2.456 -9.643 276 1HB ASP 35 H ASP 35 -1.164 -5.293 -10.596 277 2HB ASP 35 H ASP 35 -2.382 -4.201 -11.283 278 H GLU 36 H GLU 36 -2.748 -5.331 -8.107 279 HA GLU 36 HA GLU 36 -5.432 -4.445 -8.412 280 1HB GLU 36 H GLU 36 -3.999 -6.192 -6.407 281 2HB GLU 36 H GLU 36 -5.712 -5.777 -6.181 282 1HG GLU 36 H GLU 36 -6.299 -6.713 -8.343 283 2HG GLU 36 H GLU 36 -4.591 -6.976 -8.749 284 H ILE 37 H ILE 37 -2.975 -3.750 -5.893 285 HA ILE 37 HA ILE 37 -4.673 -2.136 -4.253 286 HB ILE 37 HB ILE 37 -1.683 -2.479 -4.621 287 1HG1 ILE 37 HG1 ILE 37 -3.349 -2.821 -2.111 288 2HG1 ILE 37 HG1 ILE 37 -3.318 -4.081 -3.363 289 1HG2 ILE 37 HG2 ILE 37 -1.845 -0.134 -4.096 290 2HG2 ILE 37 HG2 ILE 37 -3.104 -0.431 -2.877 291 3HG2 ILE 37 HG2 ILE 37 -1.439 -0.976 -2.587 292 1HD1 ILE 37 HD1 ILE 37 -0.906 -2.956 -1.876 293 2HD1 ILE 37 HD1 ILE 37 -1.619 -4.572 -1.678 294 3HD1 ILE 37 HD1 ILE 37 -0.822 -4.135 -3.206 295 H LEU 38 H LEU 38 -2.439 -1.349 -6.989 296 HA LEU 38 HA LEU 38 -2.668 1.461 -6.842 297 1HB LEU 38 HB2 LEU 38 -2.257 -0.386 -9.223 298 2HB LEU 38 HB1 LEU 38 -2.127 1.371 -9.319 299 HG LEU 38 HG LEU 38 -0.455 -0.402 -7.520 300 1HD1 LEU 38 HD1 LEU 38 0.140 -0.714 -9.861 301 2HD1 LEU 38 HD1 LEU 38 1.388 0.274 -9.072 302 3HD1 LEU 38 HD1 LEU 38 0.171 1.045 -10.116 303 1HD2 LEU 38 HD2 LEU 38 -0.316 2.583 -8.098 304 2HD2 LEU 38 HD2 LEU 38 0.924 1.667 -7.220 305 3HD2 LEU 38 HD2 LEU 38 -0.702 1.831 -6.533 306 H ASP 39 H ASP 39 -4.607 -0.881 -8.783 307 HA ASP 39 HA ASP 39 -6.259 0.843 -10.147 308 1HB ASP 39 H ASP 39 -6.257 -1.628 -10.334 309 2HB ASP 39 H ASP 39 -7.081 -1.743 -8.766 310 H GLU 40 H GLU 40 -7.000 -0.498 -6.873 311 HA GLU 40 HA GLU 40 -9.396 0.959 -6.502 312 1HB GLU 40 H GLU 40 -7.404 -0.200 -4.514 313 2HB GLU 40 H GLU 40 -9.030 0.378 -4.091 314 1HG GLU 40 H GLU 40 -9.596 -1.258 -6.228 315 2HG GLU 40 H GLU 40 -8.199 -2.097 -5.523 316 H THR 41 H THR 41 -5.999 1.871 -5.848 317 HA THR 41 HA THR 41 -6.789 4.309 -4.419 318 HB THR 41 HB THR 41 -4.296 4.694 -4.463 319 HG1 THR 41 HG1 THR 41 -4.303 2.003 -5.339 320 1HG2 THR 41 HG2 THR 41 -5.779 2.433 -3.178 321 2HG2 THR 41 HG2 THR 41 -4.997 3.850 -2.438 322 3HG2 THR 41 HG2 THR 41 -4.015 2.477 -2.994 323 H GLN 42 H GLN 42 -7.201 3.585 -7.542 324 HA GLN 42 HA GLN 42 -7.513 4.879 -9.399 325 1HB GLN 42 HB1 GLN 42 -6.707 7.342 -7.810 326 2HB GLN 42 HB2 GLN 42 -7.764 7.238 -9.232 327 1HG GLN 42 HG2 GLN 42 -9.328 5.793 -7.813 328 2HG GLN 42 HG1 GLN 42 -8.345 6.259 -6.409 329 1HE2 GLN 42 HE2 GLN 42 -7.774 8.884 -6.758 330 2HE2 GLN 42 HE2 GLN 42 -9.241 9.836 -6.815 331 H HIS 43 H HIS 43 -5.081 3.563 -8.880 332 HA HIS 43 HA HIS 43 -3.198 5.238 -10.477 333 1HB HIS 43 HB1 HIS 43 -2.308 3.261 -8.373 334 2HB HIS 43 HB2 HIS 43 -1.350 4.505 -9.176 335 HD1 HIS 43 HD1 HIS 43 -3.452 6.908 -8.529 336 HD2 HIS 43 HD2 HIS 43 -1.877 4.159 -5.797 337 HE1 HIS 43 HE1 HIS 43 -3.602 7.918 -6.190 338 H LEU 44 H LEU 44 -1.580 3.772 -11.595 339 HA LEU 44 HA LEU 44 -1.593 1.039 -11.808 340 1HB LEU 44 HB1 LEU 44 -4.055 2.104 -13.016 341 2HB LEU 44 HB2 LEU 44 -3.061 1.226 -14.194 342 HG LEU 44 HG LEU 44 -3.616 0.050 -11.437 343 1HD1 LEU 44 HD1 LEU 44 -5.485 -1.208 -12.510 344 2HD1 LEU 44 HD1 LEU 44 -5.284 -0.233 -13.984 345 3HD1 LEU 44 HD1 LEU 44 -5.805 0.541 -12.469 346 1HD2 LEU 44 HD2 LEU 44 -1.801 -0.934 -12.826 347 2HD2 LEU 44 HD2 LEU 44 -2.950 -1.160 -14.165 348 3HD2 LEU 44 HD2 LEU 44 -3.164 -2.062 -12.646 349 H ASP 45 H ASP 45 -2.043 3.848 -14.001 350 HA ASP 45 HA ASP 45 0.253 3.086 -15.650 351 1HB ASP 45 H ASP 45 -0.292 5.148 -16.860 352 2HB ASP 45 H ASP 45 -1.768 4.199 -16.582 353 H ILE 46 H ILE 46 0.110 4.062 -12.574 354 HA ILE 46 HA ILE 46 1.544 6.376 -12.168 355 HB ILE 46 HB ILE 46 0.530 4.963 -10.424 356 1HG1 ILE 46 HG1 ILE 46 3.494 5.557 -10.131 357 2HG1 ILE 46 HG1 ILE 46 2.125 6.575 -9.641 358 1HG2 ILE 46 HG2 ILE 46 1.318 2.776 -11.451 359 2HG2 ILE 46 HG2 ILE 46 2.927 3.121 -10.777 360 3HG2 ILE 46 HG2 ILE 46 1.535 2.894 -9.694 361 1HD1 ILE 46 HD1 ILE 46 3.105 3.975 -8.418 362 2HD1 ILE 46 HD1 ILE 46 1.452 4.577 -8.123 363 3HD1 ILE 46 HD1 ILE 46 2.852 5.553 -7.630 364 H GLY 47 H GLY 47 3.720 6.928 -11.994 365 1HA GLY 47 HA2 GLY 47 5.503 6.060 -13.927 366 2HA GLY 47 HA1 GLY 47 5.985 6.840 -12.403 367 H LEU 48 H LEU 48 6.891 4.377 -14.180 368 HA LEU 48 HA LEU 48 6.597 2.021 -12.683 369 1HB LEU 48 HB2 LEU 48 7.479 2.127 -14.995 370 2HB LEU 48 HB1 LEU 48 8.932 2.970 -14.414 371 HG LEU 48 HG LEU 48 9.509 0.976 -13.018 372 1HD1 LEU 48 HD1 LEU 48 7.357 -0.019 -12.592 373 2HD1 LEU 48 HD1 LEU 48 8.247 -1.174 -13.605 374 3HD1 LEU 48 HD1 LEU 48 6.994 -0.138 -14.329 375 1HD2 LEU 48 HD2 LEU 48 8.991 0.347 -15.955 376 2HD2 LEU 48 HD2 LEU 48 10.402 1.225 -15.319 377 3HD2 LEU 48 HD2 LEU 48 10.155 -0.486 -14.897 378 H LYS 49 H LYS 49 8.749 4.810 -12.208 379 HA LYS 49 HA LYS 49 10.609 3.644 -10.428 380 1HB LYS 49 H LYS 49 9.454 6.453 -10.649 381 2HB LYS 49 H LYS 49 10.774 6.034 -9.534 382 1HG LYS 49 H LYS 49 10.905 5.452 -12.525 383 2HG LYS 49 H LYS 49 11.475 6.980 -11.815 384 1HD LYS 49 H LYS 49 12.924 5.569 -10.241 385 2HD LYS 49 H LYS 49 12.512 4.168 -11.259 386 1HE LYS 49 H LYS 49 13.394 5.387 -13.250 387 2HE LYS 49 H LYS 49 13.861 6.739 -12.194 388 1HZ LYS 49 H LYS 49 15.689 5.269 -12.615 389 2HZ LYS 49 H LYS 49 14.863 3.982 -11.997 390 3HZ LYS 49 H LYS 49 15.296 5.234 -11.013 391 H GLN 50 H GLN 50 7.392 5.158 -9.827 392 HA GLN 50 HA GLN 50 7.501 4.793 -6.980 393 1HB GLN 50 HB2 GLN 50 5.305 5.388 -8.984 394 2HB GLN 50 HB1 GLN 50 4.934 5.057 -7.280 395 1HG GLN 50 HG1 GLN 50 5.141 7.416 -7.405 396 2HG GLN 50 HG2 GLN 50 6.658 6.852 -6.680 397 1HE2 GLN 50 HE2 GLN 50 7.354 9.065 -7.416 398 2HE2 GLN 50 HE2 GLN 50 8.019 9.193 -9.034 399 H LYS 51 H LYS 51 5.939 2.914 -9.659 400 HA LYS 51 HA LYS 51 4.716 0.930 -8.050 401 1HB LYS 51 H LYS 51 4.452 1.333 -10.552 402 2HB LYS 51 H LYS 51 5.998 0.488 -10.782 403 1HG LYS 51 H LYS 51 5.097 -1.531 -9.718 404 2HG LYS 51 H LYS 51 3.573 -0.694 -9.352 405 1HD LYS 51 H LYS 51 4.667 -1.187 -12.163 406 2HD LYS 51 H LYS 51 3.406 -2.162 -11.371 407 1HE LYS 51 H LYS 51 2.386 0.364 -11.040 408 2HE LYS 51 H LYS 51 3.241 0.559 -12.581 409 1HZ LYS 51 H LYS 51 2.024 -1.318 -13.418 410 2HZ LYS 51 H LYS 51 0.979 -0.159 -12.881 411 3HZ LYS 51 H LYS 51 1.241 -1.525 -11.976 412 H GLN 52 H GLN 52 8.049 1.099 -9.393 413 HA GLN 52 HA GLN 52 8.875 -1.462 -8.420 414 1HB GLN 52 HB2 GLN 52 10.009 -0.220 -10.241 415 2HB GLN 52 HB1 GLN 52 10.504 1.032 -9.079 416 1HG GLN 52 HG1 GLN 52 11.829 -0.587 -7.822 417 2HG GLN 52 HG2 GLN 52 11.238 -1.917 -8.840 418 1HE2 GLN 52 HE2 GLN 52 11.860 -1.954 -11.123 419 2HE2 GLN 52 HE2 GLN 52 13.347 -1.182 -11.627 420 H TRP 53 H TRP 53 9.342 1.893 -7.162 421 HA TRP 53 HA TRP 53 10.796 1.247 -4.848 422 1HB TRP 53 HB2 TRP 53 10.617 3.512 -5.506 423 2HB TRP 53 HB1 TRP 53 8.850 3.449 -5.552 424 HD1 TRP 53 HD1 TRP 53 11.638 3.156 -2.905 425 HE1 TRP 53 HE1 TRP 53 10.867 4.253 -0.708 426 HE3 TRP 53 HE3 TRP 53 6.873 4.396 -4.275 427 HZ2 TRP 53 HZ2 TRP 53 8.490 5.496 0.299 428 HZ3 TRP 53 HZ3 TRP 53 5.369 5.504 -2.660 429 HH2 TRP 53 HH2 TRP 53 6.179 6.098 -0.393 430 H LEU 54 H LEU 54 7.231 1.430 -5.328 431 HA LEU 54 HA LEU 54 6.455 0.956 -2.676 432 1HB LEU 54 HB2 LEU 54 5.192 0.287 -5.352 433 2HB LEU 54 HB1 LEU 54 4.383 -0.091 -3.818 434 HG LEU 54 HG LEU 54 5.413 2.706 -4.418 435 1HD1 LEU 54 HD1 LEU 54 3.110 3.259 -5.169 436 2HD1 LEU 54 HD1 LEU 54 2.671 1.537 -5.059 437 3HD1 LEU 54 HD1 LEU 54 3.881 2.075 -6.247 438 1HD2 LEU 54 HD2 LEU 54 4.849 2.323 -2.096 439 2HD2 LEU 54 HD2 LEU 54 3.530 3.268 -2.813 440 3HD2 LEU 54 HD2 LEU 54 3.326 1.522 -2.540 441 H MET 55 H MET 55 7.306 -1.303 -5.302 442 HA MET 55 HA MET 55 6.587 -3.659 -3.837 443 1HB MET 55 HB1 MET 55 6.802 -3.266 -6.387 444 2HB MET 55 HB2 MET 55 8.543 -3.505 -6.155 445 1HG MET 55 HG2 MET 55 7.992 -5.689 -4.996 446 2HG MET 55 HG1 MET 55 6.310 -5.460 -5.495 447 1HE MET 55 HE1 MET 55 5.452 -5.475 -7.924 448 2HE MET 55 HE2 MET 55 6.601 -4.211 -8.427 449 3HE MET 55 HE3 MET 55 6.465 -5.714 -9.368 450 H THR 56 H THR 56 9.800 -2.119 -4.569 451 HA THR 56 HA THR 56 11.055 -4.166 -2.807 452 HB THR 56 HB THR 56 13.134 -3.566 -4.003 453 HG1 THR 56 HG1 THR 56 12.644 -1.406 -4.457 454 1HG2 THR 56 HG2 THR 56 11.525 -5.290 -4.910 455 2HG2 THR 56 HG2 THR 56 12.527 -4.512 -6.157 456 3HG2 THR 56 HG2 THR 56 10.830 -4.023 -5.949 457 H GLU 57 H GLU 57 9.720 -1.490 -1.832 458 HA GLU 57 HA GLU 57 11.869 -0.965 0.057 459 1HB GLU 57 H GLU 57 12.511 0.459 -1.914 460 2HB GLU 57 H GLU 57 10.996 1.352 -1.681 461 1HG GLU 57 H GLU 57 11.681 1.870 0.665 462 2HG GLU 57 H GLU 57 13.212 1.014 0.387 463 H ALA 58 H ALA 58 9.029 0.897 -1.180 464 HA ALA 58 HA ALA 58 8.305 1.894 1.331 465 1HB ALA 58 HB1 ALA 58 6.147 1.333 -0.659 466 2HB ALA 58 HB2 ALA 58 7.496 2.372 -1.170 467 3HB ALA 58 HB3 ALA 58 6.513 2.816 0.241 468 H LEU 59 H LEU 59 6.485 -0.722 -0.403 469 HA LEU 59 HA LEU 59 4.857 -1.279 1.855 470 1HB LEU 59 HB2 LEU 59 5.519 -2.978 -0.581 471 2HB LEU 59 HB1 LEU 59 4.188 -3.285 0.547 472 HG LEU 59 HG LEU 59 4.520 -0.711 -1.069 473 1HD1 LEU 59 HD1 LEU 59 4.021 -2.682 -2.496 474 2HD1 LEU 59 HD1 LEU 59 2.620 -3.060 -1.466 475 3HD1 LEU 59 HD1 LEU 59 2.644 -1.557 -2.419 476 1HD2 LEU 59 HD2 LEU 59 3.261 -0.251 0.933 477 2HD2 LEU 59 HD2 LEU 59 2.076 -0.442 -0.375 478 3HD2 LEU 59 HD2 LEU 59 2.343 -1.768 0.780 479 H VAL 60 H VAL 60 7.890 -2.847 0.705 480 HA VAL 60 HA VAL 60 7.760 -4.991 2.594 481 HB VAL 60 HB VAL 60 10.218 -5.235 2.104 482 1HG1 VAL 60 HG1 VAL 60 9.853 -5.781 -0.306 483 2HG1 VAL 60 HG1 VAL 60 8.313 -4.892 -0.247 484 3HG1 VAL 60 HG1 VAL 60 8.531 -6.358 0.735 485 1HG2 VAL 60 HG2 VAL 60 10.769 -2.858 1.733 486 2HG2 VAL 60 HG2 VAL 60 11.180 -3.832 0.309 487 3HG2 VAL 60 HG2 VAL 60 9.716 -2.829 0.304 488 H ASN 61 H ASN 61 9.141 -1.677 2.775 489 HA ASN 61 HA ASN 61 9.984 -2.246 5.579 490 1HB ASN 61 HB2 ASN 61 10.590 0.130 3.773 491 2HB ASN 61 HB1 ASN 61 11.257 -0.153 5.391 492 1HD2 ASN 61 HD2 ASN 61 11.967 -2.783 5.427 493 2HD2 ASN 61 HD2 ASN 61 13.156 -3.125 4.192 494 H ASN 62 H ASN 62 7.373 -2.313 5.617 495 HA ASN 62 HA ASN 62 6.630 0.235 6.900 496 1HB ASN 62 HB1 ASN 62 5.881 0.485 4.568 497 2HB ASN 62 HB2 ASN 62 4.995 -1.048 4.677 498 1HD2 ASN 62 HD2 ASN 62 3.456 0.951 3.916 499 2HD2 ASN 62 HD2 ASN 62 2.465 1.576 5.214 500 HA PRO 63 HA PRO 63 5.469 -3.165 9.613 501 1HB PRO 63 HB1 PRO 63 4.289 -1.228 11.439 502 2HB PRO 63 HB2 PRO 63 5.771 -2.202 11.643 503 1HG PRO 63 HG1 PRO 63 5.584 0.615 11.097 504 2HG PRO 63 HG2 PRO 63 7.063 -0.380 11.198 505 1HD PRO 63 HD1 PRO 63 5.797 0.747 8.838 506 2HD PRO 63 HD2 PRO 63 7.327 -0.174 8.949 507 H LYS 64 H LYS 64 3.356 -0.551 8.432 508 HA LYS 64 HA LYS 64 0.893 -1.793 9.332 509 1HB LYS 64 H LYS 64 1.450 0.363 7.255 510 2HB LYS 64 H LYS 64 -0.163 -0.099 7.842 511 1HG LYS 64 H LYS 64 0.571 0.450 10.177 512 2HG LYS 64 H LYS 64 2.123 1.027 9.519 513 1HD LYS 64 H LYS 64 1.005 2.756 8.223 514 2HD LYS 64 H LYS 64 -0.595 2.097 8.638 515 1HE LYS 64 H LYS 64 -0.148 4.040 10.042 516 2HE LYS 64 H LYS 64 -0.138 2.576 11.049 517 1HZ LYS 64 H LYS 64 1.695 4.046 11.533 518 2HZ LYS 64 H LYS 64 2.250 3.924 9.984 519 3HZ LYS 64 H LYS 64 2.240 2.598 10.964 520 H ILE 65 H ILE 65 3.115 -2.713 6.955 521 HA ILE 65 HA ILE 65 0.963 -4.024 5.356 522 HB ILE 65 HB ILE 65 3.715 -3.057 4.484 523 1HG1 ILE 65 HG1 ILE 65 1.928 -1.275 4.810 524 2HG1 ILE 65 HG1 ILE 65 2.571 -1.398 3.163 525 1HG2 ILE 65 HG2 ILE 65 3.266 -5.035 3.243 526 2HG2 ILE 65 HG2 ILE 65 2.763 -3.702 2.180 527 3HG2 ILE 65 HG2 ILE 65 1.542 -4.637 3.071 528 1HD1 ILE 65 HD1 ILE 65 0.601 -2.714 2.467 529 2HD1 ILE 65 HD1 ILE 65 0.098 -1.164 3.174 530 3HD1 ILE 65 HD1 ILE 65 -0.039 -2.657 4.124 531 H GLU 66 H GLU 66 1.093 -6.178 5.059 532 HA GLU 66 HA GLU 66 3.498 -7.605 6.098 533 1HB GLU 66 H GLU 66 1.519 -7.701 7.651 534 2HB GLU 66 H GLU 66 0.583 -8.467 6.349 535 1HG GLU 66 H GLU 66 2.152 -10.346 6.277 536 2HG GLU 66 H GLU 66 3.201 -9.555 7.473 537 H VAL 67 H VAL 67 4.460 -8.698 4.473 538 HA VAL 67 HA VAL 67 2.948 -9.270 2.005 539 HB VAL 67 HB VAL 67 5.857 -9.951 2.562 540 1HG1 VAL 67 HG1 VAL 67 4.320 -9.131 0.053 541 2HG1 VAL 67 HG1 VAL 67 4.794 -10.793 0.478 542 3HG1 VAL 67 HG1 VAL 67 6.042 -9.577 0.123 543 1HG2 VAL 67 HG2 VAL 67 6.307 -7.644 1.505 544 2HG2 VAL 67 HG2 VAL 67 4.620 -7.254 1.904 545 3HG2 VAL 67 HG2 VAL 67 5.772 -7.648 3.200 546 H ILE 68 H ILE 68 2.398 -11.350 1.303 547 HA ILE 68 HA ILE 68 3.245 -13.602 3.074 548 HB ILE 68 HB ILE 68 0.404 -13.106 2.068 549 1HG1 ILE 68 HG1 ILE 68 1.690 -12.854 4.824 550 2HG1 ILE 68 HG1 ILE 68 0.932 -11.559 3.871 551 1HG2 ILE 68 HG2 ILE 68 1.174 -15.530 2.256 552 2HG2 ILE 68 HG2 ILE 68 -0.175 -15.105 3.327 553 3HG2 ILE 68 HG2 ILE 68 1.474 -15.231 3.982 554 1HD1 ILE 68 HD1 ILE 68 -1.228 -12.950 3.968 555 2HD1 ILE 68 HD1 ILE 68 -0.698 -12.201 5.492 556 3HD1 ILE 68 HD1 ILE 68 -0.416 -13.933 5.209 557 H ASP 69 H ASP 69 0.872 -13.958 0.485 558 HA ASP 69 HA ASP 69 2.726 -15.715 -0.942 559 1HB ASP 69 H ASP 69 0.363 -16.334 -0.563 560 2HB ASP 69 H ASP 69 -0.166 -14.898 -1.463 561 H GLY 70 H GLY 70 3.967 -13.365 -1.054 562 1HA GLY 70 HA1 GLY 70 4.968 -11.986 -2.624 563 2HA GLY 70 HA2 GLY 70 3.890 -12.648 -3.872 564 H LYS 71 H LYS 71 1.391 -12.074 -2.561 565 HA LYS 71 HA LYS 71 1.042 -9.335 -3.371 566 1HB LYS 71 H LYS 71 -0.776 -11.363 -2.022 567 2HB LYS 71 H LYS 71 -1.314 -9.792 -2.636 568 1HG LYS 71 H LYS 71 -0.367 -10.471 -4.886 569 2HG LYS 71 H LYS 71 -0.104 -12.095 -4.225 570 1HD LYS 71 H LYS 71 -2.818 -10.695 -4.236 571 2HD LYS 71 H LYS 71 -2.271 -11.793 -5.521 572 1HE LYS 71 H LYS 71 -3.365 -13.331 -4.213 573 2HE LYS 71 H LYS 71 -1.770 -13.408 -3.437 574 1HZ LYS 71 H LYS 71 -3.641 -13.171 -1.905 575 2HZ LYS 71 H LYS 71 -3.970 -11.677 -2.529 576 3HZ LYS 71 H LYS 71 -2.539 -11.957 -1.761 577 H TYR 72 H TYR 72 -0.010 -7.678 -1.936 578 HA TYR 72 HA TYR 72 1.383 -7.703 0.712 579 1HB TYR 72 HB2 TYR 72 0.461 -5.425 -1.077 580 2HB TYR 72 HB1 TYR 72 1.247 -5.231 0.497 581 HD1 TYR 72 HD1 TYR 72 3.628 -5.655 0.781 582 HD2 TYR 72 HD2 TYR 72 1.732 -6.199 -3.047 583 HE1 TYR 72 HE1 TYR 72 5.858 -5.739 -0.308 584 HE2 TYR 72 HE2 TYR 72 3.965 -6.285 -4.135 585 HH TYR 72 HH TYR 72 6.994 -5.747 -2.327 586 H ALA 73 H ALA 73 0.208 -7.687 2.537 587 HA ALA 73 HA ALA 73 -2.697 -6.972 2.361 588 1HB ALA 73 HB1 ALA 73 -2.894 -8.403 4.431 589 2HB ALA 73 HB2 ALA 73 -1.197 -8.884 4.202 590 3HB ALA 73 HB3 ALA 73 -2.417 -9.310 2.985 591 H PHE 74 H PHE 74 -3.567 -5.982 4.363 592 HA PHE 74 HA PHE 74 -1.632 -4.042 5.476 593 1HB PHE 74 HB2 PHE 74 -3.610 -3.027 4.690 594 2HB PHE 74 HB1 PHE 74 -4.640 -4.288 5.376 595 HD1 PHE 74 HD1 PHE 74 -5.115 -4.348 7.787 596 HD2 PHE 74 HD2 PHE 74 -2.846 -1.147 6.044 597 HE1 PHE 74 HE1 PHE 74 -5.573 -2.960 9.781 598 HE2 PHE 74 HE2 PHE 74 -3.278 0.245 8.061 599 HZ PHE 74 HZ PHE 74 -4.677 -0.659 9.912 600 H LYS 75 H LYS 75 -0.750 -4.339 7.445 601 HA LYS 75 HA LYS 75 -1.480 -6.678 9.003 602 1HB LYS 75 H LYS 75 0.858 -5.757 8.638 603 2HB LYS 75 H LYS 75 0.425 -4.430 9.730 604 1HG LYS 75 H LYS 75 -0.234 -6.206 11.448 605 2HG LYS 75 H LYS 75 0.500 -7.412 10.373 606 1HD LYS 75 H LYS 75 1.965 -4.961 11.456 607 2HD LYS 75 H LYS 75 2.028 -6.565 12.216 608 1HE LYS 75 H LYS 75 2.837 -6.021 9.323 609 2HE LYS 75 H LYS 75 3.974 -6.060 10.682 610 1HZ LYS 75 H LYS 75 2.253 -8.291 9.826 611 2HZ LYS 75 H LYS 75 3.308 -8.315 11.097 612 3HZ LYS 75 H LYS 75 3.877 -8.153 9.559 613 HA PRO 76 HA PRO 76 -4.443 -4.251 11.368 614 1HB PRO 76 HB1 PRO 76 -5.279 -6.351 13.018 615 2HB PRO 76 HB2 PRO 76 -5.921 -6.001 11.396 616 1HG PRO 76 HG1 PRO 76 -4.080 -8.166 12.264 617 2HG PRO 76 HG2 PRO 76 -5.135 -8.082 10.825 618 1HD PRO 76 HD1 PRO 76 -2.311 -7.654 10.918 619 2HD PRO 76 HD2 PRO 76 -3.405 -7.356 9.533 620 H LYS 77 H LYS 77 -1.806 -3.758 12.073 621 HA LYS 77 HA LYS 77 -0.409 -3.202 13.790 622 1HB LYS 77 H LYS 77 -3.057 -3.162 15.301 623 2HB LYS 77 H LYS 77 -1.522 -2.531 15.939 624 1HG LYS 77 H LYS 77 -1.372 -0.885 14.173 625 2HG LYS 77 H LYS 77 -2.731 -1.623 13.294 626 1HD LYS 77 H LYS 77 -3.521 0.370 14.469 627 2HD LYS 77 H LYS 77 -4.241 -1.077 15.213 628 1HE LYS 77 H LYS 77 -2.652 -1.003 17.050 629 2HE LYS 77 H LYS 77 -1.718 0.285 16.256 630 1HZ LYS 77 H LYS 77 -4.484 0.518 17.221 631 2HZ LYS 77 H LYS 77 -3.614 1.715 16.492 632 3HZ LYS 77 H LYS 77 -3.148 1.135 17.965 633 H TYR 78 H TYR 78 -2.281 -4.632 16.361 634 HA TYR 78 HA TYR 78 -0.376 -6.934 16.451 635 1HB TYR 78 HB2 TYR 78 -0.430 -6.785 18.842 636 2HB TYR 78 HB1 TYR 78 -0.077 -5.169 18.214 637 HD1 TYR 78 HD1 TYR 78 -2.033 -3.478 18.056 638 HD2 TYR 78 HD2 TYR 78 -2.236 -7.134 20.330 639 HE1 TYR 78 HE1 TYR 78 -3.931 -2.560 19.368 640 HE2 TYR 78 HE2 TYR 78 -4.128 -6.208 21.640 641 HH TYR 78 HH TYR 78 -5.461 -2.946 21.030 642 H ASN 79 H ASN 79 -3.005 -6.742 15.066 643 HA ASN 79 HA ASN 79 -4.757 -8.159 14.688 644 1HB ASN 79 HB2 ASN 79 -3.041 -9.847 15.860 645 2HB ASN 79 HB1 ASN 79 -4.258 -9.800 17.154 646 1HD2 ASN 79 HD2 ASN 79 -3.422 -11.063 14.047 647 2HD2 ASN 79 HD2 ASN 79 -4.927 -11.893 13.715 648 H VAL 80 H VAL 80 -6.854 -8.995 15.883 649 HA VAL 80 HA VAL 80 -7.848 -6.689 17.381 650 HB VAL 80 HB VAL 80 -9.268 -9.276 16.599 651 1HG1 VAL 80 HG1 VAL 80 -10.438 -7.941 18.319 652 2HG1 VAL 80 HG1 VAL 80 -10.266 -6.479 17.320 653 3HG1 VAL 80 HG1 VAL 80 -11.291 -7.823 16.765 654 1HG2 VAL 80 HG2 VAL 80 -8.930 -6.633 15.109 655 2HG2 VAL 80 HG2 VAL 80 -8.374 -8.239 14.578 656 3HG2 VAL 80 HG2 VAL 80 -10.114 -7.886 14.667 657 H ARG 81 H ARG 81 -6.347 -7.029 19.197 658 HA ARG 81 HA ARG 81 -5.927 -7.593 21.346 659 1HB ARG 81 H ARG 81 -8.296 -7.090 21.733 660 2HB ARG 81 H ARG 81 -8.749 -8.744 21.275 661 1HG ARG 81 H ARG 81 -8.685 -8.457 23.738 662 2HG ARG 81 H ARG 81 -7.497 -9.658 23.192 663 1HD ARG 81 H ARG 81 -6.675 -6.761 23.506 664 2HD ARG 81 H ARG 81 -6.801 -7.804 24.940 665 HE ARG 81 H ARG 81 -5.293 -9.198 22.983 666 1HH1 ARG 81 H ARG 81 -5.059 -6.410 25.156 667 2HH1 ARG 81 H ARG 81 -3.313 -6.429 25.204 668 1HH2 ARG 81 H ARG 81 -3.008 -9.147 22.953 669 2HH2 ARG 81 H ARG 81 -2.139 -8.027 23.980 Start of MODEL 4 1 1H ALA 1 H1 ALA 1 10.063 7.256 4.017 2 2H ALA 1 H2 ALA 1 9.789 7.826 5.540 3 3H ALA 1 H3 ALA 1 11.228 7.105 5.175 4 HA ALA 1 HA ALA 1 11.487 9.469 5.312 5 1HB ALA 1 HB1 ALA 1 12.565 9.793 3.126 6 2HB ALA 1 HB2 ALA 1 11.694 8.386 2.472 7 3HB ALA 1 HB3 ALA 1 12.908 8.165 3.754 8 H LEU 2 H LEU 2 11.222 11.480 3.757 9 HA LEU 2 HA LEU 2 8.694 11.658 2.348 10 1HB LEU 2 HB2 LEU 2 8.610 12.042 5.153 11 2HB LEU 2 HB1 LEU 2 8.613 13.679 4.462 12 HG LEU 2 HG LEU 2 6.749 11.446 3.530 13 1HD1 LEU 2 HD1 LEU 2 5.004 12.619 4.840 14 2HD1 LEU 2 HD1 LEU 2 6.310 12.029 5.894 15 3HD1 LEU 2 HD1 LEU 2 6.229 13.753 5.459 16 1HD2 LEU 2 HD2 LEU 2 6.848 14.462 3.061 17 2HD2 LEU 2 HD2 LEU 2 7.070 13.181 1.846 18 3HD2 LEU 2 HD2 LEU 2 5.479 13.424 2.598 19 H SER 3 H SER 3 8.866 13.249 0.833 20 HA SER 3 HA SER 3 10.631 15.554 1.275 21 1HB SER 3 HB2 SER 3 11.164 13.623 -1.024 22 2HB SER 3 HB1 SER 3 12.055 15.116 -0.648 23 HG SER 3 HG SER 3 12.297 13.947 1.526 24 H GLY 4 H GLY 4 8.437 13.680 -0.825 25 1HA GLY 4 HA2 GLY 4 7.932 15.784 -2.709 26 2HA GLY 4 HA1 GLY 4 6.961 14.317 -2.461 27 H SER 5 H SER 5 7.378 17.703 -1.657 28 HA SER 5 HA SER 5 5.569 17.970 0.492 29 1HB SER 5 HB2 SER 5 7.117 19.740 -0.304 30 2HB SER 5 HB1 SER 5 6.149 19.911 -1.789 31 HG SER 5 HG SER 5 5.210 20.286 0.870 32 H SER 6 H SER 6 5.020 17.887 -3.057 33 HA SER 6 HA SER 6 2.141 18.327 -2.735 34 1HB SER 6 HB2 SER 6 3.485 19.214 -4.665 35 2HB SER 6 HB1 SER 6 3.750 17.537 -5.201 36 HG SER 6 HG SER 6 1.446 17.327 -5.274 37 H GLY 7 H GLY 7 3.261 15.992 -1.329 38 1HA GLY 7 HA2 GLY 7 2.489 13.875 -0.873 39 2HA GLY 7 HA1 GLY 7 1.339 14.026 -2.219 40 H TYR 8 H TYR 8 2.201 13.725 -4.447 41 HA TYR 8 HA TYR 8 3.189 12.308 -5.954 42 1HB TYR 8 HB2 TYR 8 4.974 13.997 -5.560 43 2HB TYR 8 HB1 TYR 8 5.662 12.955 -4.308 44 HD1 TYR 8 HD1 TYR 8 7.728 12.182 -5.076 45 HD2 TYR 8 HD2 TYR 8 4.368 12.169 -7.778 46 HE1 TYR 8 HE1 TYR 8 9.102 11.010 -6.781 47 HE2 TYR 8 HE2 TYR 8 5.746 10.997 -9.478 48 HH TYR 8 HH TYR 8 7.804 10.147 -10.004 49 H LYS 9 H LYS 9 5.783 10.902 -4.648 50 HA LYS 9 HA LYS 9 4.833 8.287 -4.553 51 1HB LYS 9 H LYS 9 7.218 9.791 -3.493 52 2HB LYS 9 H LYS 9 6.964 8.126 -2.930 53 1HG LYS 9 H LYS 9 7.015 7.257 -5.144 54 2HG LYS 9 H LYS 9 6.888 8.878 -5.859 55 1HD LYS 9 H LYS 9 9.190 8.332 -6.083 56 2HD LYS 9 H LYS 9 9.128 9.394 -4.657 57 1HE LYS 9 H LYS 9 9.028 7.338 -3.206 58 2HE LYS 9 H LYS 9 9.235 6.348 -4.666 59 1HZ LYS 9 H LYS 9 11.324 7.437 -5.031 60 2HZ LYS 9 H LYS 9 11.132 8.355 -3.675 61 3HZ LYS 9 H LYS 9 11.299 6.719 -3.546 62 H PHE 10 H PHE 10 5.726 10.308 -1.753 63 HA PHE 10 HA PHE 10 4.819 8.474 0.157 64 1HB PHE 10 HB2 PHE 10 5.002 11.478 0.527 65 2HB PHE 10 HB1 PHE 10 5.278 10.208 1.734 66 HD1 PHE 10 HD1 PHE 10 6.735 12.146 -1.017 67 HD2 PHE 10 HD2 PHE 10 7.322 8.746 1.564 68 HE1 PHE 10 HE1 PHE 10 9.132 12.062 -1.667 69 HE2 PHE 10 HE2 PHE 10 9.721 8.675 0.918 70 HZ PHE 10 HZ PHE 10 10.624 10.332 -0.700 71 H GLY 11 H GLY 11 3.150 11.182 -1.475 72 1HA GLY 11 HA1 GLY 11 0.813 11.225 0.162 73 2HA GLY 11 HA2 GLY 11 0.928 11.782 -1.523 74 H VAL 12 H VAL 12 1.552 9.531 -2.939 75 HA VAL 12 HA VAL 12 -0.933 8.190 -3.184 76 HB VAL 12 HB VAL 12 1.869 7.762 -4.249 77 1HG1 VAL 12 HG1 VAL 12 1.184 5.496 -4.085 78 2HG1 VAL 12 HG1 VAL 12 0.728 5.969 -5.737 79 3HG1 VAL 12 HG1 VAL 12 -0.507 5.890 -4.461 80 1HG2 VAL 12 HG2 VAL 12 -0.833 8.268 -5.585 81 2HG2 VAL 12 HG2 VAL 12 0.762 8.291 -6.374 82 3HG2 VAL 12 HG2 VAL 12 0.347 9.537 -5.173 83 H LEU 13 H LEU 13 2.124 7.273 -1.524 84 HA LEU 13 HA LEU 13 1.350 4.634 -0.826 85 1HB LEU 13 HB2 LEU 13 3.655 5.382 -0.685 86 2HB LEU 13 HB1 LEU 13 3.224 6.620 0.517 87 HG LEU 13 HG LEU 13 2.489 4.794 2.083 88 1HD1 LEU 13 HD1 LEU 13 1.923 3.002 0.592 89 2HD1 LEU 13 HD1 LEU 13 3.369 2.459 1.468 90 3HD1 LEU 13 HD1 LEU 13 3.513 3.060 -0.200 91 1HD2 LEU 13 HD2 LEU 13 4.866 3.877 2.442 92 2HD2 LEU 13 HD2 LEU 13 5.326 4.819 1.003 93 3HD2 LEU 13 HD2 LEU 13 4.684 5.647 2.438 94 H ALA 14 H ALA 14 0.893 7.779 0.880 95 HA ALA 14 HA ALA 14 -0.136 6.718 3.299 96 1HB ALA 14 HB1 ALA 14 -1.062 8.978 3.625 97 2HB ALA 14 HB2 ALA 14 -0.806 9.349 1.904 98 3HB ALA 14 HB3 ALA 14 0.590 9.064 2.970 99 H LYS 15 H LYS 15 -1.933 7.776 0.301 100 HA LYS 15 HA LYS 15 -4.464 7.081 1.486 101 1HB LYS 15 H LYS 15 -5.371 7.342 -0.807 102 2HB LYS 15 H LYS 15 -4.431 8.742 -0.250 103 1HG LYS 15 H LYS 15 -2.452 7.803 -1.510 104 2HG LYS 15 H LYS 15 -3.535 6.575 -2.196 105 1HD LYS 15 H LYS 15 -3.906 9.604 -2.426 106 2HD LYS 15 H LYS 15 -3.249 8.554 -3.697 107 1HE LYS 15 H LYS 15 -5.442 8.526 -4.384 108 2HE LYS 15 H LYS 15 -5.545 7.207 -3.202 109 1HZ LYS 15 H LYS 15 -6.277 8.846 -1.589 110 2HZ LYS 15 H LYS 15 -6.228 10.030 -2.735 111 3HZ LYS 15 H LYS 15 -7.290 8.778 -2.887 112 H ILE 16 H ILE 16 -2.021 5.293 -0.394 113 HA ILE 16 HA ILE 16 -3.693 3.041 -0.979 114 HB ILE 16 HB ILE 16 -0.708 3.471 -0.752 115 1HG1 ILE 16 HG1 ILE 16 -2.406 2.485 -3.082 116 2HG1 ILE 16 HG1 ILE 16 -2.152 4.215 -2.758 117 1HG2 ILE 16 HG2 ILE 16 -0.462 1.095 -1.579 118 2HG2 ILE 16 HG2 ILE 16 -2.185 0.843 -1.223 119 3HG2 ILE 16 HG2 ILE 16 -1.043 1.206 0.092 120 1HD1 ILE 16 HD1 ILE 16 0.343 3.770 -2.816 121 2HD1 ILE 16 HD1 ILE 16 -0.023 2.123 -3.375 122 3HD1 ILE 16 HD1 ILE 16 -0.486 3.519 -4.368 123 H VAL 17 H VAL 17 -1.515 3.847 1.752 124 HA VAL 17 HA VAL 17 -1.905 1.478 3.251 125 HB VAL 17 HB VAL 17 -1.085 4.326 3.834 126 1HG1 VAL 17 HG1 VAL 17 -1.680 2.186 5.924 127 2HG1 VAL 17 HG1 VAL 17 -2.374 3.825 5.818 128 3HG1 VAL 17 HG1 VAL 17 -0.658 3.615 6.219 129 1HG2 VAL 17 HG2 VAL 17 0.477 2.611 2.869 130 2HG2 VAL 17 HG2 VAL 17 0.250 1.634 4.340 131 3HG2 VAL 17 HG2 VAL 17 1.006 3.243 4.446 132 H ASN 18 H ASN 18 -3.768 4.551 3.094 133 HA ASN 18 HA ASN 18 -5.551 3.927 5.238 134 1HB ASN 18 HB2 ASN 18 -5.227 6.199 4.342 135 2HB ASN 18 HB1 ASN 18 -5.935 5.700 2.793 136 1HD2 ASN 18 HD2 ASN 18 -6.597 6.252 6.251 137 2HD2 ASN 18 HD2 ASN 18 -8.332 6.403 6.086 138 H TYR 19 H TYR 19 -5.830 3.488 1.664 139 HA TYR 19 HA TYR 19 -8.459 2.386 1.731 140 1HB TYR 19 HB1 TYR 19 -8.117 2.792 -0.441 141 2HB TYR 19 HB2 TYR 19 -6.374 2.935 -0.198 142 HD1 TYR 19 HD1 TYR 19 -9.106 0.460 -0.827 143 HD2 TYR 19 HD2 TYR 19 -4.891 1.280 -0.997 144 HE1 TYR 19 HE1 TYR 19 -8.737 -1.613 -2.141 145 HE2 TYR 19 HE2 TYR 19 -4.535 -0.795 -2.293 146 HH TYR 19 HH TYR 19 -7.237 -2.871 -3.331 147 H MET 20 H MET 20 -5.199 0.857 1.809 148 HA MET 20 HA MET 20 -6.118 -1.835 1.739 149 1HB MET 20 HB2 MET 20 -3.595 -0.491 2.769 150 2HB MET 20 HB1 MET 20 -3.837 -2.244 2.879 151 1HG MET 20 HG2 MET 20 -4.001 -0.641 0.311 152 2HG MET 20 HG1 MET 20 -2.580 -1.546 0.837 153 1HE MET 20 HE1 MET 20 -2.350 -4.066 0.941 154 2HE MET 20 HE2 MET 20 -3.619 -5.246 0.535 155 3HE MET 20 HE3 MET 20 -3.756 -4.270 2.014 156 H LYS 21 H LYS 21 -5.645 0.504 4.415 157 HA LYS 21 HA LYS 21 -6.087 -1.426 6.502 158 1HB LYS 21 H LYS 21 -4.974 0.829 6.761 159 2HB LYS 21 H LYS 21 -6.570 1.584 6.577 160 1HG LYS 21 H LYS 21 -6.282 -0.636 8.595 161 2HG LYS 21 H LYS 21 -5.559 0.936 8.997 162 1HD LYS 21 H LYS 21 -8.425 0.765 8.019 163 2HD LYS 21 H LYS 21 -8.028 0.455 9.717 164 1HE LYS 21 H LYS 21 -7.156 2.642 10.027 165 2HE LYS 21 H LYS 21 -7.070 2.949 8.278 166 1HZ LYS 21 H LYS 21 -8.963 3.988 9.448 167 2HZ LYS 21 H LYS 21 -9.390 3.044 8.164 168 3HZ LYS 21 H LYS 21 -9.596 2.482 9.703 169 H THR 22 H THR 22 -8.198 1.071 4.976 170 HA THR 22 HA THR 22 -10.497 0.581 6.491 171 HB THR 22 HB THR 22 -10.302 1.424 3.561 172 HG1 THR 22 HG1 THR 22 -9.119 2.821 4.767 173 1HG2 THR 22 HG2 THR 22 -12.600 0.847 4.187 174 2HG2 THR 22 HG2 THR 22 -12.461 1.794 5.688 175 3HG2 THR 22 HG2 THR 22 -12.445 2.617 4.110 176 H ARG 23 H ARG 23 -9.554 -0.965 3.325 177 HA ARG 23 HA ARG 23 -11.908 -2.591 3.257 178 1HB ARG 23 H ARG 23 -10.926 -3.685 1.419 179 2HB ARG 23 H ARG 23 -10.294 -2.031 1.339 180 1HG ARG 23 H ARG 23 -8.208 -2.771 2.443 181 2HG ARG 23 H ARG 23 -8.826 -4.432 2.523 182 1HD ARG 23 H ARG 23 -8.349 -2.833 -0.017 183 2HD ARG 23 H ARG 23 -7.315 -4.130 0.602 184 HE ARG 23 H ARG 23 -9.097 -5.734 0.176 185 1HH1 ARG 23 H ARG 23 -10.164 -2.503 -0.732 186 2HH1 ARG 23 H ARG 23 -10.835 -2.982 -2.279 187 1HH2 ARG 23 H ARG 23 -10.294 -6.437 -1.679 188 2HH2 ARG 23 H ARG 23 -10.975 -5.257 -2.782 189 H HIS 24 H HIS 24 -8.633 -3.076 4.646 190 HA HIS 24 HA HIS 24 -9.050 -5.786 5.466 191 1HB HIS 24 HB1 HIS 24 -6.850 -4.667 5.270 192 2HB HIS 24 HB2 HIS 24 -7.272 -3.599 6.616 193 HD1 HIS 24 HD1 HIS 24 -5.903 -6.975 5.817 194 HD2 HIS 24 HD2 HIS 24 -7.342 -4.941 9.174 195 HE1 HIS 24 HE1 HIS 24 -5.188 -8.282 7.878 196 H GLN 25 H GLN 25 -10.296 -2.736 6.606 197 HA GLN 25 HA GLN 25 -10.903 -3.740 9.299 198 1HB GLN 25 HB2 GLN 25 -10.310 -1.255 8.311 199 2HB GLN 25 HB1 GLN 25 -12.085 -1.178 8.329 200 1HG GLN 25 HG2 GLN 25 -12.175 -1.623 10.671 201 2HG GLN 25 HG1 GLN 25 -10.489 -2.176 10.706 202 1HE2 GLN 25 HE2 GLN 25 -10.064 -0.688 12.445 203 2HE2 GLN 25 HE2 GLN 25 -9.886 1.029 12.136 204 H ARG 26 H ARG 26 -12.613 -2.982 6.214 205 HA ARG 26 HA ARG 26 -15.243 -3.379 7.322 206 1HB ARG 26 H ARG 26 -16.029 -2.914 5.195 207 2HB ARG 26 H ARG 26 -14.423 -2.159 5.109 208 1HG ARG 26 H ARG 26 -13.565 -4.333 4.113 209 2HG ARG 26 H ARG 26 -15.245 -4.894 4.029 210 1HD ARG 26 H ARG 26 -15.835 -3.061 2.548 211 2HD ARG 26 H ARG 26 -14.225 -2.330 2.744 212 HE ARG 26 H ARG 26 -14.055 -5.052 1.774 213 1HH1 ARG 26 H ARG 26 -14.922 -1.781 0.737 214 2HH1 ARG 26 H ARG 26 -14.324 -1.993 -0.892 215 1HH2 ARG 26 H ARG 26 -13.183 -5.307 -0.352 216 2HH2 ARG 26 H ARG 26 -13.397 -4.024 -1.531 217 H GLY 27 H GLY 27 -12.867 -5.518 5.715 218 1HA GLY 27 HA2 GLY 27 -13.185 -7.901 6.716 219 2HA GLY 27 HA1 GLY 27 -14.774 -7.803 5.921 220 H ASP 28 H ASP 28 -11.509 -6.683 4.943 221 HA ASP 28 HA ASP 28 -11.520 -8.555 2.631 222 1HB ASP 28 H ASP 28 -12.465 -6.105 2.223 223 2HB ASP 28 H ASP 28 -10.754 -5.662 2.263 224 H THR 29 H THR 29 -10.138 -9.143 4.803 225 HA THR 29 HA THR 29 -7.603 -7.752 5.017 226 HB THR 29 HB THR 29 -7.147 -9.384 6.768 227 HG1 THR 29 HG1 THR 29 -8.622 -11.104 7.073 228 1HG2 THR 29 HG2 THR 29 -9.031 -8.960 8.229 229 2HG2 THR 29 HG2 THR 29 -10.112 -8.687 6.844 230 3HG2 THR 29 HG2 THR 29 -8.805 -7.537 7.194 231 H HIS 30 H HIS 30 -8.780 -10.128 2.839 232 HA HIS 30 HA HIS 30 -6.561 -11.870 2.681 233 1HB HIS 30 HB2 HIS 30 -7.622 -12.781 0.864 234 2HB HIS 30 HB1 HIS 30 -8.980 -11.933 1.617 235 HD1 HIS 30 HD1 HIS 30 -9.057 -9.188 0.594 236 HD2 HIS 30 HD2 HIS 30 -7.617 -12.300 -1.814 237 HE1 HIS 30 HE1 HIS 30 -9.205 -8.433 -1.825 238 HA PRO 31 HA PRO 31 -3.355 -9.465 0.892 239 1HB PRO 31 HB1 PRO 31 -2.460 -11.557 -0.912 240 2HB PRO 31 HB2 PRO 31 -1.722 -11.025 0.624 241 1HG PRO 31 HG2 PRO 31 -3.189 -13.452 0.104 242 2HG PRO 31 HG1 PRO 31 -2.508 -12.896 1.658 243 1HD PRO 31 HD2 PRO 31 -5.288 -12.977 0.838 244 2HD PRO 31 HD1 PRO 31 -4.600 -12.473 2.410 245 H LEU 32 H LEU 32 -2.775 -8.290 -0.989 246 HA LEU 32 HA LEU 32 -4.445 -8.767 -3.416 247 1HB LEU 32 HB2 LEU 32 -4.008 -6.222 -1.823 248 2HB LEU 32 HB1 LEU 32 -4.339 -6.154 -3.564 249 HG LEU 32 HG LEU 32 -6.133 -7.348 -1.402 250 1HD1 LEU 32 HD1 LEU 32 -6.481 -5.051 -3.386 251 2HD1 LEU 32 HD1 LEU 32 -7.676 -5.580 -2.177 252 3HD1 LEU 32 HD1 LEU 32 -6.135 -4.870 -1.645 253 1HD2 LEU 32 HD2 LEU 32 -7.727 -7.539 -3.463 254 2HD2 LEU 32 HD2 LEU 32 -6.238 -7.489 -4.426 255 3HD2 LEU 32 HD2 LEU 32 -6.491 -8.796 -3.252 256 H THR 33 H THR 33 -3.401 -8.431 -5.358 257 HA THR 33 HA THR 33 -0.507 -8.428 -5.355 258 HB THR 33 HB THR 33 -0.792 -8.351 -7.828 259 HG1 THR 33 HG1 THR 33 -3.565 -8.127 -7.274 260 1HG2 THR 33 HG2 THR 33 -2.392 -10.350 -8.036 261 2HG2 THR 33 HG2 THR 33 -1.021 -10.548 -6.928 262 3HG2 THR 33 HG2 THR 33 -2.641 -10.210 -6.281 263 H LEU 34 H LEU 34 0.689 -6.809 -6.843 264 HA LEU 34 HA LEU 34 0.463 -4.181 -5.788 265 1HB LEU 34 HB2 LEU 34 2.398 -5.540 -7.089 266 2HB LEU 34 HB1 LEU 34 1.723 -4.672 -8.481 267 HG LEU 34 HG LEU 34 3.516 -3.327 -7.621 268 1HD1 LEU 34 HD1 LEU 34 1.319 -2.157 -8.167 269 2HD1 LEU 34 HD1 LEU 34 2.434 -1.255 -7.117 270 3HD1 LEU 34 HD1 LEU 34 1.024 -2.075 -6.413 271 1HD2 LEU 34 HD2 LEU 34 3.701 -2.633 -5.282 272 2HD2 LEU 34 HD2 LEU 34 3.661 -4.405 -5.389 273 3HD2 LEU 34 HD2 LEU 34 2.214 -3.514 -4.870 274 H ASP 35 H ASP 35 -0.572 -5.642 -8.907 275 HA ASP 35 HA ASP 35 -1.582 -3.350 -10.159 276 1HB ASP 35 H ASP 35 -2.698 -6.183 -10.267 277 2HB ASP 35 H ASP 35 -2.903 -4.915 -11.496 278 H GLU 36 H GLU 36 -3.387 -5.735 -8.114 279 HA GLU 36 HA GLU 36 -5.896 -4.503 -8.177 280 1HB GLU 36 H GLU 36 -4.479 -6.174 -6.090 281 2HB GLU 36 H GLU 36 -6.162 -5.629 -5.884 282 1HG GLU 36 H GLU 36 -6.859 -6.747 -7.911 283 2HG GLU 36 H GLU 36 -5.182 -7.100 -8.367 284 H ILE 37 H ILE 37 -3.053 -3.669 -6.155 285 HA ILE 37 HA ILE 37 -4.486 -1.835 -4.461 286 HB ILE 37 HB ILE 37 -1.564 -2.275 -5.157 287 1HG1 ILE 37 HG1 ILE 37 -2.909 -2.380 -2.446 288 2HG1 ILE 37 HG1 ILE 37 -3.045 -3.748 -3.572 289 1HG2 ILE 37 HG2 ILE 37 -1.672 0.109 -4.818 290 2HG2 ILE 37 HG2 ILE 37 -2.789 -0.075 -3.446 291 3HG2 ILE 37 HG2 ILE 37 -1.098 -0.596 -3.294 292 1HD1 ILE 37 HD1 ILE 37 -0.570 -3.875 -3.709 293 2HD1 ILE 37 HD1 ILE 37 -1.144 -4.072 -2.039 294 3HD1 ILE 37 HD1 ILE 37 -0.439 -2.526 -2.559 295 H LEU 38 H LEU 38 -2.493 -1.374 -7.461 296 HA LEU 38 HA LEU 38 -2.798 1.448 -7.585 297 1HB LEU 38 HB2 LEU 38 -2.525 -0.540 -9.882 298 2HB LEU 38 HB1 LEU 38 -2.239 1.208 -9.983 299 HG LEU 38 HG LEU 38 -0.686 -0.719 -8.212 300 1HD1 LEU 38 HD1 LEU 38 0.071 0.677 -10.809 301 2HD1 LEU 38 HD1 LEU 38 1.161 -0.320 -9.814 302 3HD1 LEU 38 HD1 LEU 38 -0.243 -1.065 -10.615 303 1HD2 LEU 38 HD2 LEU 38 0.892 1.275 -8.052 304 2HD2 LEU 38 HD2 LEU 38 -0.660 1.478 -7.205 305 3HD2 LEU 38 HD2 LEU 38 -0.400 2.254 -8.784 306 H ASP 39 H ASP 39 -4.814 -1.214 -8.915 307 HA ASP 39 HA ASP 39 -6.582 0.271 -10.481 308 1HB ASP 39 H ASP 39 -6.745 -2.295 -8.921 309 2HB ASP 39 H ASP 39 -8.249 -1.617 -9.573 310 H GLU 40 H GLU 40 -7.194 -0.746 -7.060 311 HA GLU 40 HA GLU 40 -9.600 0.663 -6.777 312 1HB GLU 40 H GLU 40 -8.359 -1.118 -5.260 313 2HB GLU 40 H GLU 40 -7.734 0.330 -4.435 314 1HG GLU 40 H GLU 40 -9.691 0.160 -3.254 315 2HG GLU 40 H GLU 40 -10.363 1.016 -4.647 316 H THR 41 H THR 41 -6.270 1.750 -5.825 317 HA THR 41 HA THR 41 -7.253 4.349 -4.957 318 HB THR 41 HB THR 41 -4.827 4.849 -4.750 319 HG1 THR 41 HG1 THR 41 -4.519 2.124 -5.464 320 1HG2 THR 41 HG2 THR 41 -4.514 3.462 -2.834 321 2HG2 THR 41 HG2 THR 41 -5.594 2.206 -3.483 322 3HG2 THR 41 HG2 THR 41 -6.257 3.773 -2.958 323 H GLN 42 H GLN 42 -6.939 3.091 -8.045 324 HA GLN 42 HA GLN 42 -6.772 4.030 -10.121 325 1HB GLN 42 HB1 GLN 42 -8.642 5.411 -9.157 326 2HB GLN 42 HB2 GLN 42 -7.442 6.635 -8.685 327 1HG GLN 42 HG2 GLN 42 -6.781 6.224 -11.329 328 2HG GLN 42 HG1 GLN 42 -8.538 5.972 -11.367 329 1HE2 GLN 42 HE2 GLN 42 -6.044 8.218 -10.061 330 2HE2 GLN 42 HE2 GLN 42 -6.982 9.679 -10.307 331 H HIS 43 H HIS 43 -4.372 3.492 -9.369 332 HA HIS 43 HA HIS 43 -2.758 5.930 -9.973 333 1HB HIS 43 HB1 HIS 43 -2.111 3.689 -8.017 334 2HB HIS 43 HB2 HIS 43 -1.003 4.992 -8.482 335 HD1 HIS 43 HD1 HIS 43 -3.459 7.207 -8.394 336 HD2 HIS 43 HD2 HIS 43 -2.209 4.632 -5.348 337 HE1 HIS 43 HE1 HIS 43 -4.183 8.206 -6.174 338 H LEU 44 H LEU 44 -3.902 3.830 -11.749 339 HA LEU 44 HA LEU 44 -1.681 2.088 -12.472 340 1HB LEU 44 HB1 LEU 44 -4.389 2.749 -13.666 341 2HB LEU 44 HB2 LEU 44 -3.210 1.744 -14.542 342 HG LEU 44 HG LEU 44 -3.910 1.093 -11.658 343 1HD1 LEU 44 HD1 LEU 44 -5.647 -0.469 -12.602 344 2HD1 LEU 44 HD1 LEU 44 -6.073 1.247 -12.777 345 3HD1 LEU 44 HD1 LEU 44 -5.460 0.333 -14.176 346 1HD2 LEU 44 HD2 LEU 44 -3.335 -1.192 -12.437 347 2HD2 LEU 44 HD2 LEU 44 -3.061 -0.567 -14.080 348 3HD2 LEU 44 HD2 LEU 44 -2.000 -0.059 -12.746 349 H ASP 45 H ASP 45 -0.250 4.046 -12.412 350 HA ASP 45 HA ASP 45 0.412 4.866 -15.110 351 1HB ASP 45 H ASP 45 -1.297 6.546 -14.707 352 2HB ASP 45 H ASP 45 -0.645 6.890 -13.091 353 H ILE 46 H ILE 46 0.723 5.295 -11.592 354 HA ILE 46 HA ILE 46 2.602 6.066 -10.387 355 HB ILE 46 HB ILE 46 4.086 3.700 -10.513 356 1HG1 ILE 46 HG1 ILE 46 2.155 1.976 -10.436 357 2HG1 ILE 46 HG1 ILE 46 1.249 3.127 -11.423 358 1HG2 ILE 46 HG2 ILE 46 1.526 4.099 -8.943 359 2HG2 ILE 46 HG2 ILE 46 2.957 3.138 -8.490 360 3HG2 ILE 46 HG2 ILE 46 3.059 4.912 -8.554 361 1HD1 ILE 46 HD1 ILE 46 2.568 1.338 -12.689 362 2HD1 ILE 46 HD1 ILE 46 2.874 3.012 -13.191 363 3HD1 ILE 46 HD1 ILE 46 4.036 2.174 -12.146 364 H GLY 47 H GLY 47 4.445 3.904 -12.483 365 1HA GLY 47 HA2 GLY 47 5.916 5.008 -14.242 366 2HA GLY 47 HA1 GLY 47 6.433 6.064 -12.899 367 H LEU 48 H LEU 48 8.250 4.300 -14.276 368 HA LEU 48 HA LEU 48 8.570 1.784 -13.065 369 1HB LEU 48 HB2 LEU 48 9.821 2.817 -15.069 370 2HB LEU 48 HB1 LEU 48 10.861 3.615 -13.869 371 HG LEU 48 HG LEU 48 11.120 1.193 -12.859 372 1HD1 LEU 48 HD1 LEU 48 10.291 0.591 -15.737 373 2HD1 LEU 48 HD1 LEU 48 9.364 0.156 -14.283 374 3HD1 LEU 48 HD1 LEU 48 10.953 -0.586 -14.579 375 1HD2 LEU 48 HD2 LEU 48 12.373 1.993 -15.523 376 2HD2 LEU 48 HD2 LEU 48 12.948 2.469 -13.908 377 3HD2 LEU 48 HD2 LEU 48 13.019 0.764 -14.410 378 H LYS 49 H LYS 49 9.745 5.011 -12.044 379 HA LYS 49 HA LYS 49 11.285 4.191 -9.823 380 1HB LYS 49 H LYS 49 9.705 6.729 -10.408 381 2HB LYS 49 H LYS 49 10.791 6.556 -9.013 382 1HG LYS 49 H LYS 49 11.689 6.084 -11.890 383 2HG LYS 49 H LYS 49 11.814 7.657 -11.072 384 1HD LYS 49 H LYS 49 13.023 6.270 -9.177 385 2HD LYS 49 H LYS 49 13.278 5.078 -10.475 386 1HE LYS 49 H LYS 49 14.271 6.907 -11.884 387 2HE LYS 49 H LYS 49 14.111 8.013 -10.502 388 1HZ LYS 49 H LYS 49 16.296 7.070 -10.637 389 2HZ LYS 49 H LYS 49 15.695 5.537 -10.544 390 3HZ LYS 49 H LYS 49 15.546 6.561 -9.259 391 H GLN 50 H GLN 50 7.841 5.294 -9.955 392 HA GLN 50 HA GLN 50 7.400 4.968 -7.161 393 1HB GLN 50 HB2 GLN 50 5.311 4.875 -9.356 394 2HB GLN 50 HB1 GLN 50 5.087 5.355 -7.664 395 1HG GLN 50 HG2 GLN 50 7.068 7.076 -8.397 396 2HG GLN 50 HG1 GLN 50 6.249 6.862 -9.962 397 1HE2 GLN 50 HE2 GLN 50 4.359 7.975 -10.336 398 2HE2 GLN 50 HE2 GLN 50 3.495 8.890 -9.119 399 H LYS 51 H LYS 51 6.264 2.882 -9.927 400 HA LYS 51 HA LYS 51 5.055 0.870 -8.452 401 1HB LYS 51 H LYS 51 5.045 0.986 -10.895 402 2HB LYS 51 H LYS 51 6.770 0.583 -10.949 403 1HG LYS 51 H LYS 51 6.365 -1.625 -10.078 404 2HG LYS 51 H LYS 51 4.706 -1.204 -9.599 405 1HD LYS 51 H LYS 51 4.712 -2.573 -11.665 406 2HD LYS 51 H LYS 51 4.058 -0.948 -11.968 407 1HE LYS 51 H LYS 51 5.633 -1.684 -13.755 408 2HE LYS 51 H LYS 51 6.197 -0.220 -12.925 409 1HZ LYS 51 H LYS 51 7.928 -1.859 -13.255 410 2HZ LYS 51 H LYS 51 7.680 -1.559 -11.653 411 3HZ LYS 51 H LYS 51 7.108 -2.951 -12.329 412 H GLN 52 H GLN 52 8.517 1.134 -9.367 413 HA GLN 52 HA GLN 52 9.340 -1.319 -8.182 414 1HB GLN 52 HB2 GLN 52 10.628 0.022 -9.871 415 2HB GLN 52 HB1 GLN 52 10.977 1.222 -8.604 416 1HG GLN 52 HG1 GLN 52 12.873 -0.277 -8.751 417 2HG GLN 52 HG2 GLN 52 12.016 -0.640 -7.239 418 1HE2 GLN 52 HE2 GLN 52 12.292 -1.654 -10.682 419 2HE2 GLN 52 HE2 GLN 52 11.946 -3.344 -10.394 420 H TRP 53 H TRP 53 9.549 2.070 -6.943 421 HA TRP 53 HA TRP 53 10.711 1.490 -4.457 422 1HB TRP 53 HB2 TRP 53 10.570 3.737 -5.144 423 2HB TRP 53 HB1 TRP 53 8.833 3.628 -5.456 424 HD1 TRP 53 HD1 TRP 53 11.125 3.305 -2.354 425 HE1 TRP 53 HE1 TRP 53 10.025 4.497 -0.355 426 HE3 TRP 53 HE3 TRP 53 6.753 4.754 -4.590 427 HZ2 TRP 53 HZ2 TRP 53 7.586 5.888 0.180 428 HZ3 TRP 53 HZ3 TRP 53 5.058 5.997 -3.295 429 HH2 TRP 53 HH2 TRP 53 5.477 6.592 -0.927 430 H LEU 54 H LEU 54 7.201 1.679 -5.306 431 HA LEU 54 HA LEU 54 6.205 1.163 -2.737 432 1HB LEU 54 HB2 LEU 54 5.113 0.425 -5.474 433 2HB LEU 54 HB1 LEU 54 4.187 0.268 -3.970 434 HG LEU 54 HG LEU 54 5.452 2.900 -4.829 435 1HD1 LEU 54 HD1 LEU 54 3.889 2.109 -6.588 436 2HD1 LEU 54 HD1 LEU 54 3.244 3.526 -5.726 437 3HD1 LEU 54 HD1 LEU 54 2.622 1.899 -5.355 438 1HD2 LEU 54 HD2 LEU 54 3.534 3.753 -3.354 439 2HD2 LEU 54 HD2 LEU 54 3.321 2.067 -2.825 440 3HD2 LEU 54 HD2 LEU 54 4.851 2.915 -2.510 441 H MET 55 H MET 55 6.937 -1.110 -5.397 442 HA MET 55 HA MET 55 6.148 -3.446 -4.017 443 1HB MET 55 HB1 MET 55 6.471 -3.081 -6.508 444 2HB MET 55 HB2 MET 55 8.223 -3.197 -6.229 445 1HG MET 55 HG1 MET 55 7.961 -5.456 -5.327 446 2HG MET 55 HG2 MET 55 6.200 -5.328 -5.450 447 1HE MET 55 HE1 MET 55 8.903 -4.126 -8.137 448 2HE MET 55 HE2 MET 55 9.109 -5.643 -9.039 449 3HE MET 55 HE3 MET 55 9.587 -5.555 -7.328 450 H THR 56 H THR 56 9.385 -1.825 -4.204 451 HA THR 56 HA THR 56 10.435 -4.001 -2.438 452 HB THR 56 HB THR 56 12.645 -3.467 -3.408 453 HG1 THR 56 HG1 THR 56 11.156 -1.726 -5.091 454 1HG2 THR 56 HG2 THR 56 10.519 -3.919 -5.549 455 2HG2 THR 56 HG2 THR 56 11.132 -5.178 -4.450 456 3HG2 THR 56 HG2 THR 56 12.227 -4.409 -5.624 457 H GLU 57 H GLU 57 9.058 -1.401 -1.526 458 HA GLU 57 HA GLU 57 11.030 -0.861 0.533 459 1HB GLU 57 H GLU 57 11.722 0.589 -1.489 460 2HB GLU 57 H GLU 57 10.272 1.543 -1.134 461 1HG GLU 57 H GLU 57 11.990 0.934 1.223 462 2HG GLU 57 H GLU 57 12.728 1.985 0.001 463 H ALA 58 H ALA 58 8.297 0.920 -0.990 464 HA ALA 58 HA ALA 58 7.268 1.834 1.491 465 1HB ALA 58 HB1 ALA 58 5.728 2.915 0.197 466 2HB ALA 58 HB2 ALA 58 6.910 2.530 -1.068 467 3HB ALA 58 HB3 ALA 58 5.458 1.519 -0.860 468 H LEU 59 H LEU 59 6.864 -1.275 -0.091 469 HA LEU 59 HA LEU 59 4.588 -1.852 1.766 470 1HB LEU 59 HB2 LEU 59 5.127 -3.056 -0.974 471 2HB LEU 59 HB1 LEU 59 3.738 -3.396 0.076 472 HG LEU 59 HG LEU 59 4.398 -0.637 -1.057 473 1HD1 LEU 59 HD1 LEU 59 2.321 -2.687 -1.897 474 2HD1 LEU 59 HD1 LEU 59 3.779 -2.249 -2.816 475 3HD1 LEU 59 HD1 LEU 59 2.494 -1.045 -2.561 476 1HD2 LEU 59 HD2 LEU 59 3.105 -0.455 0.989 477 2HD2 LEU 59 HD2 LEU 59 2.003 -0.195 -0.377 478 3HD2 LEU 59 HD2 LEU 59 2.014 -1.758 0.473 479 H VAL 60 H VAL 60 7.667 -2.184 2.006 480 HA VAL 60 HA VAL 60 7.482 -5.025 2.887 481 HB VAL 60 HB VAL 60 9.850 -5.372 2.191 482 1HG1 VAL 60 HG1 VAL 60 9.365 -5.694 -0.185 483 2HG1 VAL 60 HG1 VAL 60 8.014 -4.541 -0.098 484 3HG1 VAL 60 HG1 VAL 60 7.919 -6.091 0.772 485 1HG2 VAL 60 HG2 VAL 60 10.783 -3.797 0.469 486 2HG2 VAL 60 HG2 VAL 60 10.654 -3.075 2.087 487 3HG2 VAL 60 HG2 VAL 60 9.455 -2.679 0.836 488 H ASN 61 H ASN 61 9.138 -1.840 3.149 489 HA ASN 61 HA ASN 61 10.215 -2.574 5.786 490 1HB ASN 61 HB1 ASN 61 11.651 -0.877 5.427 491 2HB ASN 61 HB2 ASN 61 11.013 -0.820 3.774 492 1HD2 ASN 61 HD2 ASN 61 9.437 0.791 3.210 493 2HD2 ASN 61 HD2 ASN 61 9.185 2.202 4.217 494 H ASN 62 H ASN 62 7.506 -0.836 4.341 495 HA ASN 62 HA ASN 62 6.641 0.718 6.508 496 1HB ASN 62 HB2 ASN 62 5.811 0.858 4.193 497 2HB ASN 62 HB1 ASN 62 5.020 -0.723 4.365 498 1HD2 ASN 62 HD2 ASN 62 3.393 1.231 3.598 499 2HD2 ASN 62 HD2 ASN 62 2.384 1.806 4.908 500 HA PRO 63 HA PRO 63 5.768 -2.710 9.295 501 1HB PRO 63 HB1 PRO 63 4.627 -0.935 11.248 502 2HB PRO 63 HB2 PRO 63 6.254 -1.672 11.248 503 1HG PRO 63 HG2 PRO 63 5.513 1.094 10.706 504 2HG PRO 63 HG1 PRO 63 7.146 0.381 10.824 505 1HD PRO 63 HD1 PRO 63 5.747 1.223 8.451 506 2HD PRO 63 HD2 PRO 63 7.360 0.463 8.565 507 H LYS 64 H LYS 64 3.513 -0.290 8.074 508 HA LYS 64 HA LYS 64 1.143 -1.604 9.172 509 1HB LYS 64 H LYS 64 1.400 0.517 6.999 510 2HB LYS 64 H LYS 64 -0.083 0.067 7.868 511 1HG LYS 64 H LYS 64 2.420 1.316 9.096 512 2HG LYS 64 H LYS 64 0.859 2.120 8.826 513 1HD LYS 64 H LYS 64 -0.154 0.222 10.288 514 2HD LYS 64 H LYS 64 1.526 -0.102 10.785 515 1HE LYS 64 H LYS 64 1.728 2.343 11.406 516 2HE LYS 64 H LYS 64 -0.013 2.511 11.086 517 1HZ LYS 64 H LYS 64 1.207 0.710 13.060 518 2HZ LYS 64 H LYS 64 0.425 2.124 13.391 519 3HZ LYS 64 H LYS 64 -0.410 0.850 12.759 520 H ILE 65 H ILE 65 3.296 -2.570 6.818 521 HA ILE 65 HA ILE 65 1.134 -3.940 5.282 522 HB ILE 65 HB ILE 65 3.777 -2.862 4.209 523 1HG1 ILE 65 HG1 ILE 65 1.999 -1.107 4.739 524 2HG1 ILE 65 HG1 ILE 65 2.517 -1.178 3.048 525 1HG2 ILE 65 HG2 ILE 65 2.622 -3.465 1.990 526 2HG2 ILE 65 HG2 ILE 65 3.217 -4.819 2.970 527 3HG2 ILE 65 HG2 ILE 65 1.484 -4.421 2.962 528 1HD1 ILE 65 HD1 ILE 65 0.017 -2.538 4.136 529 2HD1 ILE 65 HD1 ILE 65 0.037 -0.973 3.300 530 3HD1 ILE 65 HD1 ILE 65 0.518 -2.448 2.434 531 H GLU 66 H GLU 66 1.551 -6.057 4.669 532 HA GLU 66 HA GLU 66 4.068 -7.307 5.618 533 1HB GLU 66 H GLU 66 2.320 -7.623 7.369 534 2HB GLU 66 H GLU 66 1.241 -8.338 6.152 535 1HG GLU 66 H GLU 66 2.410 -10.075 7.490 536 2HG GLU 66 H GLU 66 2.847 -10.169 5.774 537 H VAL 67 H VAL 67 4.643 -9.198 4.405 538 HA VAL 67 HA VAL 67 3.316 -9.270 1.736 539 HB VAL 67 HB VAL 67 6.059 -10.273 2.613 540 1HG1 VAL 67 HG1 VAL 67 6.474 -10.376 0.162 541 2HG1 VAL 67 HG1 VAL 67 5.143 -11.454 0.637 542 3HG1 VAL 67 HG1 VAL 67 4.790 -9.893 -0.140 543 1HG2 VAL 67 HG2 VAL 67 5.157 -7.718 1.214 544 2HG2 VAL 67 HG2 VAL 67 5.984 -7.846 2.783 545 3HG2 VAL 67 HG2 VAL 67 6.846 -8.268 1.287 546 H ILE 68 H ILE 68 1.903 -10.884 1.416 547 HA ILE 68 HA ILE 68 2.516 -13.563 2.593 548 HB ILE 68 HB ILE 68 -0.198 -12.168 2.447 549 1HG1 ILE 68 HG1 ILE 68 0.277 -13.095 5.049 550 2HG1 ILE 68 HG1 ILE 68 1.856 -12.457 4.545 551 1HG2 ILE 68 HG2 ILE 68 0.588 -14.988 3.313 552 2HG2 ILE 68 HG2 ILE 68 -0.429 -14.549 1.919 553 3HG2 ILE 68 HG2 ILE 68 -1.015 -14.258 3.571 554 1HD1 ILE 68 HD1 ILE 68 0.479 -10.692 5.592 555 2HD1 ILE 68 HD1 ILE 68 0.770 -10.326 3.875 556 3HD1 ILE 68 HD1 ILE 68 -0.804 -10.976 4.393 557 H ASP 69 H ASP 69 2.437 -15.197 1.134 558 HA ASP 69 HA ASP 69 2.292 -16.260 -0.886 559 1HB ASP 69 H ASP 69 -0.130 -16.071 -0.336 560 2HB ASP 69 H ASP 69 -0.200 -14.531 -1.213 561 H GLY 70 H GLY 70 3.784 -13.658 -0.651 562 1HA GLY 70 HA1 GLY 70 5.159 -12.534 -2.141 563 2HA GLY 70 HA2 GLY 70 4.297 -13.288 -3.500 564 H LYS 71 H LYS 71 1.681 -12.288 -2.014 565 HA LYS 71 HA LYS 71 1.594 -9.727 -3.464 566 1HB LYS 71 H LYS 71 -0.696 -10.816 -1.842 567 2HB LYS 71 H LYS 71 -0.718 -9.923 -3.366 568 1HG LYS 71 H LYS 71 0.066 -12.843 -2.969 569 2HG LYS 71 H LYS 71 -1.362 -12.217 -3.815 570 1HD LYS 71 H LYS 71 0.315 -10.981 -5.360 571 2HD LYS 71 H LYS 71 1.549 -12.058 -4.681 572 1HE LYS 71 H LYS 71 -1.013 -12.951 -6.066 573 2HE LYS 71 H LYS 71 0.619 -12.987 -6.767 574 1HZ LYS 71 H LYS 71 0.186 -15.107 -5.957 575 2HZ LYS 71 H LYS 71 -0.407 -14.568 -4.513 576 3HZ LYS 71 H LYS 71 1.207 -14.435 -4.845 577 H TYR 72 H TYR 72 0.069 -8.044 -2.073 578 HA TYR 72 HA TYR 72 1.557 -7.694 0.500 579 1HB TYR 72 HB1 TYR 72 0.515 -5.633 -1.472 580 2HB TYR 72 HB2 TYR 72 1.298 -5.268 0.078 581 HD1 TYR 72 HD1 TYR 72 3.698 -5.850 0.438 582 HD2 TYR 72 HD2 TYR 72 1.806 -6.305 -3.402 583 HE1 TYR 72 HE1 TYR 72 5.928 -6.022 -0.641 584 HE2 TYR 72 HE2 TYR 72 4.038 -6.486 -4.478 585 HH TYR 72 HH TYR 72 7.056 -5.958 -2.704 586 H ALA 73 H ALA 73 0.447 -7.258 2.325 587 HA ALA 73 HA ALA 73 -2.482 -6.755 2.128 588 1HB ALA 73 HB1 ALA 73 -1.886 -9.238 2.488 589 2HB ALA 73 HB2 ALA 73 -1.252 -8.736 4.072 590 3HB ALA 73 HB3 ALA 73 -2.973 -8.494 3.686 591 H PHE 74 H PHE 74 -3.331 -5.638 3.964 592 HA PHE 74 HA PHE 74 -1.443 -3.879 5.258 593 1HB PHE 74 HB2 PHE 74 -3.589 -3.010 4.779 594 2HB PHE 74 HB1 PHE 74 -4.411 -4.406 5.478 595 HD1 PHE 74 HD1 PHE 74 -4.653 -4.639 7.890 596 HD2 PHE 74 HD2 PHE 74 -2.751 -1.186 6.186 597 HE1 PHE 74 HE1 PHE 74 -4.967 -3.431 10.023 598 HE2 PHE 74 HE2 PHE 74 -3.034 0.022 8.341 599 HZ PHE 74 HZ PHE 74 -4.166 -1.107 10.250 600 H LYS 75 H LYS 75 -0.337 -4.215 7.105 601 HA LYS 75 HA LYS 75 -0.658 -6.715 8.541 602 1HB LYS 75 H LYS 75 1.509 -5.419 8.024 603 2HB LYS 75 H LYS 75 1.047 -4.337 9.351 604 1HG LYS 75 H LYS 75 0.998 -7.309 9.851 605 2HG LYS 75 H LYS 75 2.579 -6.501 9.763 606 1HD LYS 75 H LYS 75 2.042 -5.021 11.571 607 2HD LYS 75 H LYS 75 0.325 -5.472 11.526 608 1HE LYS 75 H LYS 75 1.065 -7.861 12.068 609 2HE LYS 75 H LYS 75 2.672 -7.185 12.412 610 1HZ LYS 75 H LYS 75 1.653 -5.776 14.049 611 2HZ LYS 75 H LYS 75 1.331 -7.359 14.378 612 3HZ LYS 75 H LYS 75 0.157 -6.397 13.720 613 HA PRO 76 HA PRO 76 -3.753 -4.792 11.161 614 1HB PRO 76 HB1 PRO 76 -4.119 -7.067 12.790 615 2HB PRO 76 HB2 PRO 76 -5.050 -6.647 11.327 616 1HG PRO 76 HG2 PRO 76 -2.996 -8.732 11.691 617 2HG PRO 76 HG1 PRO 76 -4.164 -8.522 10.357 618 1HD PRO 76 HD2 PRO 76 -1.358 -7.923 10.332 619 2HD PRO 76 HD1 PRO 76 -2.557 -7.579 9.052 620 H LYS 77 H LYS 77 -3.443 -3.534 12.924 621 HA LYS 77 HA LYS 77 -1.084 -3.865 14.589 622 1HB LYS 77 H LYS 77 -1.821 -1.618 14.161 623 2HB LYS 77 H LYS 77 -3.494 -2.001 14.630 624 1HG LYS 77 H LYS 77 -2.797 -2.365 16.962 625 2HG LYS 77 H LYS 77 -1.093 -2.096 16.516 626 1HD LYS 77 H LYS 77 -1.673 0.218 15.780 627 2HD LYS 77 H LYS 77 -3.357 -0.055 16.285 628 1HE LYS 77 H LYS 77 -0.937 -0.267 18.136 629 2HE LYS 77 H LYS 77 -1.974 1.169 17.998 630 1HZ LYS 77 H LYS 77 -3.827 -0.207 18.674 631 2HZ LYS 77 H LYS 77 -2.643 -0.180 19.822 632 3HZ LYS 77 H LYS 77 -2.829 -1.507 18.861 633 H TYR 78 H TYR 78 -4.622 -3.827 15.249 634 HA TYR 78 HA TYR 78 -4.186 -5.434 17.687 635 1HB TYR 78 HB2 TYR 78 -6.605 -4.961 18.061 636 2HB TYR 78 HB1 TYR 78 -5.616 -3.500 17.920 637 HD1 TYR 78 HD1 TYR 78 -8.241 -5.557 16.324 638 HD2 TYR 78 HD2 TYR 78 -5.846 -1.990 16.001 639 HE1 TYR 78 HE1 TYR 78 -9.751 -4.703 14.546 640 HE2 TYR 78 HE2 TYR 78 -7.358 -1.138 14.222 641 HH TYR 78 HH TYR 78 -10.188 -3.008 13.072 642 H ASN 79 H ASN 79 -4.833 -7.542 17.881 643 HA ASN 79 HA ASN 79 -5.247 -9.046 15.460 644 1HB ASN 79 HB1 ASN 79 -5.269 -10.964 16.881 645 2HB ASN 79 HB2 ASN 79 -4.100 -9.834 17.595 646 1HD2 ASN 79 HD2 ASN 79 -7.270 -11.375 17.940 647 2HD2 ASN 79 HD2 ASN 79 -7.483 -10.964 19.628 648 H VAL 80 H VAL 80 -7.114 -10.279 14.850 649 HA VAL 80 HA VAL 80 -9.599 -8.869 15.192 650 HB VAL 80 HB VAL 80 -8.982 -11.629 14.035 651 1HG1 VAL 80 HG1 VAL 80 -11.445 -9.834 13.859 652 2HG1 VAL 80 HG1 VAL 80 -11.354 -11.460 14.579 653 3HG1 VAL 80 HG1 VAL 80 -11.165 -11.254 12.823 654 1HG2 VAL 80 HG2 VAL 80 -7.792 -9.826 12.858 655 2HG2 VAL 80 HG2 VAL 80 -9.140 -10.407 11.855 656 3HG2 VAL 80 HG2 VAL 80 -9.294 -8.876 12.749 657 H ARG 81 H ARG 81 -11.367 -9.353 16.480 658 HA ARG 81 HA ARG 81 -11.035 -11.590 18.432 659 1HB ARG 81 H ARG 81 -12.282 -8.873 19.011 660 2HB ARG 81 H ARG 81 -11.916 -10.175 20.168 661 1HG ARG 81 H ARG 81 -9.454 -9.908 19.451 662 2HG ARG 81 H ARG 81 -9.961 -8.405 18.646 663 1HD ARG 81 H ARG 81 -9.232 -7.722 20.807 664 2HD ARG 81 H ARG 81 -11.004 -7.730 20.896 665 HE ARG 81 H ARG 81 -10.926 -9.490 22.411 666 1HH1 ARG 81 H ARG 81 -7.750 -9.067 20.881 667 2HH1 ARG 81 H ARG 81 -6.924 -10.125 22.001 668 1HH2 ARG 81 H ARG 81 -9.834 -10.931 23.841 669 2HH2 ARG 81 H ARG 81 -8.117 -11.213 23.666 Start of MODEL 5 1 1H ALA 1 H1 ALA 1 1.965 20.053 -2.453 2 2H ALA 1 H2 ALA 1 3.445 20.775 -2.606 3 3H ALA 1 H3 ALA 1 3.280 19.417 -1.681 4 HA ALA 1 HA ALA 1 1.898 20.552 -0.127 5 1HB ALA 1 HB1 ALA 1 4.489 22.041 -0.722 6 2HB ALA 1 HB2 ALA 1 3.601 22.057 0.821 7 3HB ALA 1 HB3 ALA 1 4.346 20.549 0.240 8 H LEU 2 H LEU 2 0.815 22.452 0.527 9 HA LEU 2 HA LEU 2 -0.471 24.308 0.227 10 1HB LEU 2 HB2 LEU 2 1.967 25.018 -1.416 11 2HB LEU 2 HB1 LEU 2 0.532 26.060 -1.479 12 HG LEU 2 HG LEU 2 0.571 26.189 1.035 13 1HD1 LEU 2 HD1 LEU 2 2.814 25.556 2.092 14 2HD1 LEU 2 HD1 LEU 2 1.768 24.190 1.648 15 3HD1 LEU 2 HD1 LEU 2 3.152 24.622 0.615 16 1HD2 LEU 2 HD2 LEU 2 2.501 27.732 1.133 17 2HD2 LEU 2 HD2 LEU 2 3.132 27.048 -0.384 18 3HD2 LEU 2 HD2 LEU 2 1.594 27.945 -0.383 19 H SER 3 H SER 3 0.744 24.232 -3.154 20 HA SER 3 HA SER 3 -2.005 24.172 -4.141 21 1HB SER 3 HB2 SER 3 -0.840 24.281 -6.364 22 2HB SER 3 HB1 SER 3 -0.354 25.579 -5.247 23 HG SER 3 HG SER 3 1.040 23.144 -5.707 24 H GLY 4 H GLY 4 -2.224 21.990 -2.884 25 1HA GLY 4 HA1 GLY 4 -2.716 19.753 -3.107 26 2HA GLY 4 HA2 GLY 4 -2.372 19.897 -4.845 27 H SER 5 H SER 5 -1.415 17.734 -4.624 28 HA SER 5 HA SER 5 0.337 16.283 -4.447 29 1HB SER 5 HB1 SER 5 1.401 18.031 -5.870 30 2HB SER 5 HB2 SER 5 2.025 18.822 -4.405 31 HG SER 5 HG SER 5 3.505 17.335 -5.417 32 H SER 6 H SER 6 -0.458 15.638 -2.328 33 HA SER 6 HA SER 6 0.677 16.863 0.057 34 1HB SER 6 HB1 SER 6 -0.532 14.989 1.192 35 2HB SER 6 HB2 SER 6 -1.575 15.923 0.093 36 HG SER 6 HG SER 6 -0.290 13.449 -0.467 37 H GLY 7 H GLY 7 2.911 16.427 -1.216 38 1HA GLY 7 HA1 GLY 7 4.985 15.508 -0.740 39 2HA GLY 7 HA2 GLY 7 4.210 14.310 0.319 40 H TYR 8 H TYR 8 5.796 14.776 -2.629 41 HA TYR 8 HA TYR 8 4.547 12.875 -4.336 42 1HB TYR 8 HB1 TYR 8 6.143 14.393 -5.245 43 2HB TYR 8 HB2 TYR 8 7.362 13.962 -4.036 44 HD1 TYR 8 HD1 TYR 8 9.044 12.441 -4.582 45 HD2 TYR 8 HD2 TYR 8 5.395 12.453 -6.870 46 HE1 TYR 8 HE1 TYR 8 10.026 10.789 -6.152 47 HE2 TYR 8 HE2 TYR 8 6.379 10.801 -8.443 48 HH TYR 8 HH TYR 8 9.723 9.581 -8.078 49 H LYS 9 H LYS 9 4.818 10.645 -4.577 50 HA LYS 9 HA LYS 9 5.317 8.477 -4.035 51 1HB LYS 9 H LYS 9 7.739 9.914 -3.102 52 2HB LYS 9 H LYS 9 7.426 8.386 -2.257 53 1HG LYS 9 H LYS 9 7.078 7.356 -4.577 54 2HG LYS 9 H LYS 9 7.777 8.849 -5.233 55 1HD LYS 9 H LYS 9 9.110 6.931 -3.268 56 2HD LYS 9 H LYS 9 9.526 7.135 -4.980 57 1HE LYS 9 H LYS 9 11.119 8.525 -4.078 58 2HE LYS 9 H LYS 9 9.794 9.699 -4.192 59 1HZ LYS 9 H LYS 9 10.473 8.120 -1.810 60 2HZ LYS 9 H LYS 9 10.841 9.710 -2.044 61 3HZ LYS 9 H LYS 9 9.267 9.241 -1.913 62 H PHE 10 H PHE 10 6.163 10.259 -1.025 63 HA PHE 10 HA PHE 10 5.144 8.341 0.725 64 1HB PHE 10 HB2 PHE 10 5.051 11.293 1.351 65 2HB PHE 10 HB1 PHE 10 5.499 9.940 2.405 66 HD1 PHE 10 HD1 PHE 10 6.783 12.668 0.616 67 HD2 PHE 10 HD2 PHE 10 7.618 8.519 1.430 68 HE1 PHE 10 HE1 PHE 10 9.168 13.030 0.024 69 HE2 PHE 10 HE2 PHE 10 10.004 8.886 0.843 70 HZ PHE 10 HZ PHE 10 10.777 11.140 0.125 71 H GLY 11 H GLY 11 3.477 11.136 -0.804 72 1HA GLY 11 HA1 GLY 11 1.035 10.926 0.652 73 2HA GLY 11 HA2 GLY 11 1.245 11.667 -0.950 74 H VAL 12 H VAL 12 2.128 9.491 -2.465 75 HA VAL 12 HA VAL 12 -0.312 8.187 -3.112 76 HB VAL 12 HB VAL 12 2.535 7.295 -3.780 77 1HG1 VAL 12 HG1 VAL 12 -0.113 6.935 -5.252 78 2HG1 VAL 12 HG1 VAL 12 1.472 6.319 -5.772 79 3HG1 VAL 12 HG1 VAL 12 0.704 5.670 -4.304 80 1HG2 VAL 12 HG2 VAL 12 0.702 9.354 -5.086 81 2HG2 VAL 12 HG2 VAL 12 2.134 8.661 -5.882 82 3HG2 VAL 12 HG2 VAL 12 2.323 9.631 -4.406 83 H LEU 13 H LEU 13 2.581 7.126 -1.266 84 HA LEU 13 HA LEU 13 1.715 4.479 -0.740 85 1HB LEU 13 HB2 LEU 13 4.019 5.195 -0.434 86 2HB LEU 13 HB1 LEU 13 3.532 6.367 0.808 87 HG LEU 13 HG LEU 13 2.747 4.502 2.257 88 1HD1 LEU 13 HD1 LEU 13 2.116 2.823 0.632 89 2HD1 LEU 13 HD1 LEU 13 3.750 2.807 -0.070 90 3HD1 LEU 13 HD1 LEU 13 3.474 2.156 1.562 91 1HD2 LEU 13 HD2 LEU 13 5.039 5.303 2.515 92 2HD2 LEU 13 HD2 LEU 13 5.591 4.254 1.188 93 3HD2 LEU 13 HD2 LEU 13 5.017 3.535 2.712 94 H ALA 14 H ALA 14 1.204 7.564 1.051 95 HA ALA 14 HA ALA 14 -0.076 6.425 3.319 96 1HB ALA 14 HB1 ALA 14 -0.516 9.146 2.015 97 2HB ALA 14 HB2 ALA 14 0.764 8.757 3.187 98 3HB ALA 14 HB3 ALA 14 -0.945 8.699 3.682 99 H LYS 15 H LYS 15 -1.349 7.429 0.103 100 HA LYS 15 HA LYS 15 -4.107 7.068 0.801 101 1HB LYS 15 H LYS 15 -3.189 8.408 -1.141 102 2HB LYS 15 H LYS 15 -2.816 6.869 -1.951 103 1HG LYS 15 H LYS 15 -5.136 6.244 -2.029 104 2HG LYS 15 H LYS 15 -5.597 7.548 -0.909 105 1HD LYS 15 H LYS 15 -4.904 9.239 -2.583 106 2HD LYS 15 H LYS 15 -4.444 7.943 -3.707 107 1HE LYS 15 H LYS 15 -7.248 8.281 -2.561 108 2HE LYS 15 H LYS 15 -6.735 8.946 -4.127 109 1HZ LYS 15 H LYS 15 -6.227 6.720 -4.840 110 2HZ LYS 15 H LYS 15 -6.711 6.104 -3.385 111 3HZ LYS 15 H LYS 15 -7.808 6.836 -4.373 112 H ILE 16 H ILE 16 -1.581 4.973 -0.652 113 HA ILE 16 HA ILE 16 -3.253 2.730 -1.178 114 HB ILE 16 HB ILE 16 -0.283 3.086 -0.667 115 1HG1 ILE 16 HG1 ILE 16 -1.654 2.101 -3.186 116 2HG1 ILE 16 HG1 ILE 16 -1.588 3.842 -2.825 117 1HG2 ILE 16 HG2 ILE 16 -0.707 0.856 0.117 118 2HG2 ILE 16 HG2 ILE 16 -1.859 0.538 -1.201 119 3HG2 ILE 16 HG2 ILE 16 -0.122 0.682 -1.551 120 1HD1 ILE 16 HD1 ILE 16 0.824 1.977 -3.001 121 2HD1 ILE 16 HD1 ILE 16 0.314 3.132 -4.252 122 3HD1 ILE 16 HD1 ILE 16 0.875 3.723 -2.674 123 H VAL 17 H VAL 17 -1.286 3.643 1.679 124 HA VAL 17 HA VAL 17 -1.810 1.343 3.243 125 HB VAL 17 HB VAL 17 -1.101 4.231 3.866 126 1HG1 VAL 17 HG1 VAL 17 -2.339 3.524 5.819 127 2HG1 VAL 17 HG1 VAL 17 -0.611 3.381 6.208 128 3HG1 VAL 17 HG1 VAL 17 -1.553 1.925 5.808 129 1HG2 VAL 17 HG2 VAL 17 0.459 1.664 4.334 130 2HG2 VAL 17 HG2 VAL 17 0.527 2.555 2.796 131 3HG2 VAL 17 HG2 VAL 17 1.071 3.336 4.298 132 H ASN 18 H ASN 18 -3.494 4.538 3.114 133 HA ASN 18 HA ASN 18 -5.466 3.947 5.056 134 1HB ASN 18 HB1 ASN 18 -5.068 6.210 4.263 135 2HB ASN 18 HB2 ASN 18 -5.518 5.756 2.604 136 1HD2 ASN 18 HD2 ASN 18 -6.815 5.815 5.970 137 2HD2 ASN 18 HD2 ASN 18 -8.471 6.142 5.508 138 H TYR 19 H TYR 19 -5.429 3.411 1.491 139 HA TYR 19 HA TYR 19 -8.100 2.482 1.252 140 1HB TYR 19 HB1 TYR 19 -7.265 2.822 -0.830 141 2HB TYR 19 HB2 TYR 19 -5.606 2.451 -0.338 142 HD1 TYR 19 HD1 TYR 19 -8.876 0.609 -0.743 143 HD2 TYR 19 HD2 TYR 19 -4.612 0.615 -1.327 144 HE1 TYR 19 HE1 TYR 19 -9.008 -1.620 -1.823 145 HE2 TYR 19 HE2 TYR 19 -4.764 -1.609 -2.405 146 HH TYR 19 HH TYR 19 -7.865 -3.321 -2.834 147 H MET 20 H MET 20 -5.040 0.545 1.483 148 HA MET 20 HA MET 20 -6.242 -1.987 1.679 149 1HB MET 20 HB2 MET 20 -3.647 -0.845 2.779 150 2HB MET 20 HB1 MET 20 -4.079 -2.556 2.946 151 1HG MET 20 HG1 MET 20 -3.919 -1.063 0.311 152 2HG MET 20 HG2 MET 20 -2.639 -2.091 0.960 153 1HE MET 20 HE1 MET 20 -2.764 -4.608 1.294 154 2HE MET 20 HE2 MET 20 -4.303 -4.602 2.188 155 3HE MET 20 HE3 MET 20 -4.100 -5.666 0.778 156 H LYS 21 H LYS 21 -5.482 0.401 4.234 157 HA LYS 21 HA LYS 21 -6.175 -1.225 6.448 158 1HB LYS 21 H LYS 21 -4.895 0.884 6.574 159 2HB LYS 21 H LYS 21 -6.335 1.798 6.095 160 1HG LYS 21 H LYS 21 -6.554 -0.065 8.455 161 2HG LYS 21 H LYS 21 -5.664 1.458 8.669 162 1HD LYS 21 H LYS 21 -7.894 2.369 7.358 163 2HD LYS 21 H LYS 21 -8.583 0.996 8.251 164 1HE LYS 21 H LYS 21 -6.806 3.086 9.564 165 2HE LYS 21 H LYS 21 -8.569 3.268 9.449 166 1HZ LYS 21 H LYS 21 -7.832 2.265 11.518 167 2HZ LYS 21 H LYS 21 -7.218 0.977 10.690 168 3HZ LYS 21 H LYS 21 -8.843 1.272 10.669 169 H THR 22 H THR 22 -8.153 1.166 4.586 170 HA THR 22 HA THR 22 -10.509 0.832 6.142 171 HB THR 22 HB THR 22 -10.194 1.640 3.212 172 HG1 THR 22 HG1 THR 22 -9.022 2.993 4.519 173 1HG2 THR 22 HG2 THR 22 -12.523 1.114 3.731 174 2HG2 THR 22 HG2 THR 22 -12.435 2.049 5.243 175 3HG2 THR 22 HG2 THR 22 -12.336 2.882 3.674 176 H ARG 23 H ARG 23 -9.501 -0.730 3.026 177 HA ARG 23 HA ARG 23 -11.822 -2.326 2.715 178 1HB ARG 23 H ARG 23 -8.994 -2.360 1.719 179 2HB ARG 23 H ARG 23 -9.902 -3.877 1.594 180 1HG ARG 23 H ARG 23 -11.755 -1.996 0.693 181 2HG ARG 23 H ARG 23 -10.217 -1.369 0.066 182 1HD ARG 23 H ARG 23 -9.723 -3.665 -0.846 183 2HD ARG 23 H ARG 23 -11.334 -4.179 -0.302 184 HE ARG 23 H ARG 23 -11.386 -1.823 -2.034 185 1HH1 ARG 23 H ARG 23 -11.073 -5.360 -2.014 186 2HH1 ARG 23 H ARG 23 -11.966 -5.580 -3.506 187 1HH2 ARG 23 H ARG 23 -12.521 -2.128 -4.046 188 2HH2 ARG 23 H ARG 23 -12.835 -3.752 -4.628 189 H HIS 24 H HIS 24 -8.729 -2.972 4.422 190 HA HIS 24 HA HIS 24 -9.366 -5.607 5.289 191 1HB HIS 24 HB2 HIS 24 -7.107 -4.620 5.276 192 2HB HIS 24 HB1 HIS 24 -7.597 -3.453 6.513 193 HD1 HIS 24 HD1 HIS 24 -6.289 -6.909 6.056 194 HD2 HIS 24 HD2 HIS 24 -8.042 -4.658 9.111 195 HE1 HIS 24 HE1 HIS 24 -5.861 -8.119 8.254 196 H GLN 25 H GLN 25 -10.150 -2.372 6.554 197 HA GLN 25 HA GLN 25 -11.198 -3.306 9.080 198 1HB GLN 25 HB2 GLN 25 -10.337 -0.940 8.318 199 2HB GLN 25 HB1 GLN 25 -11.996 -0.718 7.728 200 1HG GLN 25 HG2 GLN 25 -12.862 -1.229 9.988 201 2HG GLN 25 HG1 GLN 25 -11.203 -1.488 10.561 202 1HE2 GLN 25 HE2 GLN 25 -13.596 0.904 9.561 203 2HE2 GLN 25 HE2 GLN 25 -12.700 2.314 10.080 204 H ARG 26 H ARG 26 -12.393 -3.323 5.812 205 HA ARG 26 HA ARG 26 -15.232 -3.336 6.644 206 1HB ARG 26 H ARG 26 -13.717 -2.781 4.198 207 2HB ARG 26 H ARG 26 -15.020 -3.948 3.898 208 1HG ARG 26 H ARG 26 -16.020 -1.818 3.563 209 2HG ARG 26 H ARG 26 -16.568 -2.324 5.176 210 1HD ARG 26 H ARG 26 -14.121 -0.565 4.713 211 2HD ARG 26 H ARG 26 -15.743 0.097 4.976 212 HE ARG 26 H ARG 26 -13.958 -1.030 6.967 213 1HH1 ARG 26 H ARG 26 -17.257 -0.021 6.206 214 2HH1 ARG 26 H ARG 26 -17.855 -0.271 7.828 215 1HH2 ARG 26 H ARG 26 -14.863 -1.719 9.022 216 2HH2 ARG 26 H ARG 26 -16.411 -1.043 9.485 217 H GLY 27 H GLY 27 -12.898 -5.496 4.915 218 1HA GLY 27 HA1 GLY 27 -13.642 -7.866 6.215 219 2HA GLY 27 HA2 GLY 27 -14.725 -7.712 4.814 220 H ASP 28 H ASP 28 -12.684 -6.255 3.194 221 HA ASP 28 HA ASP 28 -11.338 -8.577 2.078 222 1HB ASP 28 H ASP 28 -12.262 -6.744 0.700 223 2HB ASP 28 H ASP 28 -11.138 -5.605 1.457 224 H THR 29 H THR 29 -10.154 -9.178 4.053 225 HA THR 29 HA THR 29 -7.961 -7.373 4.877 226 HB THR 29 HB THR 29 -7.646 -9.065 6.668 227 HG1 THR 29 HG1 THR 29 -8.287 -10.903 5.539 228 1HG2 THR 29 HG2 THR 29 -9.279 -7.257 7.009 229 2HG2 THR 29 HG2 THR 29 -9.823 -8.751 7.797 230 3HG2 THR 29 HG2 THR 29 -10.551 -8.240 6.259 231 H HIS 30 H HIS 30 -8.503 -10.056 2.717 232 HA HIS 30 HA HIS 30 -6.014 -11.394 3.040 233 1HB HIS 30 HB1 HIS 30 -6.726 -12.751 1.335 234 2HB HIS 30 HB2 HIS 30 -8.274 -12.048 1.819 235 HD1 HIS 30 HD1 HIS 30 -8.623 -9.523 0.365 236 HD2 HIS 30 HD2 HIS 30 -6.556 -12.713 -1.391 237 HE1 HIS 30 HE1 HIS 30 -8.657 -9.176 -2.144 238 HA PRO 31 HA PRO 31 -3.109 -8.840 0.978 239 1HB PRO 31 HB1 PRO 31 -1.714 -10.933 -0.401 240 2HB PRO 31 HB2 PRO 31 -1.276 -10.181 1.147 241 1HG PRO 31 HG1 PRO 31 -2.348 -12.831 0.659 242 2HG PRO 31 HG2 PRO 31 -1.876 -12.100 2.216 243 1HD PRO 31 HD1 PRO 31 -4.538 -12.583 1.195 244 2HD PRO 31 HD2 PRO 31 -4.055 -11.898 2.774 245 H LEU 32 H LEU 32 -2.425 -7.984 -1.084 246 HA LEU 32 HA LEU 32 -3.812 -9.071 -3.487 247 1HB LEU 32 HB2 LEU 32 -3.968 -6.273 -2.317 248 2HB LEU 32 HB1 LEU 32 -4.179 -6.551 -4.055 249 HG LEU 32 HG LEU 32 -5.841 -7.864 -1.850 250 1HD1 LEU 32 HD1 LEU 32 -6.255 -5.429 -2.104 251 2HD1 LEU 32 HD1 LEU 32 -7.640 -6.382 -2.686 252 3HD1 LEU 32 HD1 LEU 32 -6.507 -5.656 -3.855 253 1HD2 LEU 32 HD2 LEU 32 -7.319 -8.378 -3.917 254 2HD2 LEU 32 HD2 LEU 32 -5.876 -8.015 -4.884 255 3HD2 LEU 32 HD2 LEU 32 -5.850 -9.355 -3.720 256 H THR 33 H THR 33 -2.695 -8.681 -5.448 257 HA THR 33 HA THR 33 0.146 -8.324 -5.310 258 HB THR 33 HB THR 33 0.027 -8.204 -7.783 259 HG1 THR 33 HG1 THR 33 -2.782 -8.240 -7.403 260 1HG2 THR 33 HG2 THR 33 -1.211 -10.356 -8.177 261 2HG2 THR 33 HG2 THR 33 -1.811 -10.271 -6.505 262 3HG2 THR 33 HG2 THR 33 -0.066 -10.423 -6.820 263 H LEU 34 H LEU 34 1.277 -6.615 -6.716 264 HA LEU 34 HA LEU 34 0.878 -4.047 -5.611 265 1HB LEU 34 HB2 LEU 34 2.935 -5.196 -6.788 266 2HB LEU 34 HB1 LEU 34 2.231 -4.552 -8.279 267 HG LEU 34 HG LEU 34 3.912 -3.003 -7.438 268 1HD1 LEU 34 HD1 LEU 34 1.256 -1.729 -6.721 269 2HD1 LEU 34 HD1 LEU 34 2.676 -0.985 -7.484 270 3HD1 LEU 34 HD1 LEU 34 1.681 -2.139 -8.400 271 1HD2 LEU 34 HD2 LEU 34 2.282 -2.672 -4.896 272 2HD2 LEU 34 HD2 LEU 34 3.661 -3.789 -5.017 273 3HD2 LEU 34 HD2 LEU 34 3.903 -2.044 -5.258 274 H ASP 35 H ASP 35 0.174 -5.255 -8.952 275 HA ASP 35 HA ASP 35 -1.018 -2.897 -9.910 276 1HB ASP 35 H ASP 35 -1.524 -5.802 -10.648 277 2HB ASP 35 H ASP 35 -2.043 -4.401 -11.610 278 H GLU 36 H GLU 36 -2.544 -5.687 -8.180 279 HA GLU 36 HA GLU 36 -5.236 -4.850 -8.466 280 1HB GLU 36 H GLU 36 -3.747 -6.489 -6.410 281 2HB GLU 36 H GLU 36 -5.476 -6.123 -6.211 282 1HG GLU 36 H GLU 36 -6.004 -7.135 -8.361 283 2HG GLU 36 H GLU 36 -4.284 -7.368 -8.726 284 H ILE 37 H ILE 37 -2.681 -3.791 -6.200 285 HA ILE 37 HA ILE 37 -4.459 -2.268 -4.514 286 HB ILE 37 HB ILE 37 -1.460 -2.333 -4.976 287 1HG1 ILE 37 HG1 ILE 37 -2.988 -2.838 -2.413 288 2HG1 ILE 37 HG1 ILE 37 -2.869 -4.101 -3.655 289 1HG2 ILE 37 HG2 ILE 37 -3.041 -0.466 -3.171 290 2HG2 ILE 37 HG2 ILE 37 -1.911 -0.013 -4.467 291 3HG2 ILE 37 HG2 ILE 37 -1.304 -0.785 -2.991 292 1HD1 ILE 37 HD1 ILE 37 -0.384 -3.900 -3.590 293 2HD1 ILE 37 HD1 ILE 37 -0.533 -2.698 -2.287 294 3HD1 ILE 37 HD1 ILE 37 -1.069 -4.371 -2.019 295 H LEU 38 H LEU 38 -2.475 -1.506 -7.431 296 HA LEU 38 HA LEU 38 -2.825 1.301 -7.404 297 1HB LEU 38 HB2 LEU 38 -2.706 -0.504 -9.852 298 2HB LEU 38 HB1 LEU 38 -2.349 1.226 -9.797 299 HG LEU 38 HG LEU 38 -0.798 -0.979 -8.421 300 1HD1 LEU 38 HD1 LEU 38 -0.084 0.922 -10.675 301 2HD1 LEU 38 HD1 LEU 38 -0.428 -0.815 -10.844 302 3HD1 LEU 38 HD1 LEU 38 1.004 -0.273 -9.941 303 1HD2 LEU 38 HD2 LEU 38 0.822 0.862 -7.835 304 2HD2 LEU 38 HD2 LEU 38 -0.390 2.037 -8.389 305 3HD2 LEU 38 HD2 LEU 38 -0.734 0.999 -6.985 306 H ASP 39 H ASP 39 -4.916 -1.300 -8.723 307 HA ASP 39 HA ASP 39 -6.719 0.219 -10.184 308 1HB ASP 39 H ASP 39 -6.682 -2.248 -10.059 309 2HB ASP 39 H ASP 39 -7.332 -2.169 -8.409 310 H GLU 40 H GLU 40 -7.227 -0.780 -6.761 311 HA GLU 40 HA GLU 40 -9.523 0.796 -6.318 312 1HB GLU 40 H GLU 40 -7.434 -0.555 -4.632 313 2HB GLU 40 H GLU 40 -8.562 0.562 -3.838 314 1HG GLU 40 H GLU 40 -9.663 -1.488 -5.756 315 2HG GLU 40 H GLU 40 -9.171 -2.015 -4.136 316 H THR 41 H THR 41 -6.052 1.564 -5.664 317 HA THR 41 HA THR 41 -6.699 4.141 -4.498 318 HB THR 41 HB THR 41 -4.240 4.450 -4.564 319 HG1 THR 41 HG1 THR 41 -4.217 1.824 -5.618 320 1HG2 THR 41 HG2 THR 41 -3.799 2.263 -3.187 321 2HG2 THR 41 HG2 THR 41 -5.541 2.002 -3.395 322 3HG2 THR 41 HG2 THR 41 -4.952 3.471 -2.578 323 H GLN 42 H GLN 42 -6.731 3.077 -7.720 324 HA GLN 42 HA GLN 42 -6.763 4.151 -9.720 325 1HB GLN 42 HB2 GLN 42 -8.454 5.569 -8.584 326 2HB GLN 42 HB1 GLN 42 -7.172 6.656 -8.018 327 1HG GLN 42 HG1 GLN 42 -8.506 7.307 -10.160 328 2HG GLN 42 HG2 GLN 42 -6.746 7.499 -10.172 329 1HE2 GLN 42 HE2 GLN 42 -5.495 6.296 -11.596 330 2HE2 GLN 42 HE2 GLN 42 -6.179 5.211 -12.790 331 H HIS 43 H HIS 43 -4.341 3.396 -9.018 332 HA HIS 43 HA HIS 43 -2.566 5.660 -9.831 333 1HB HIS 43 HB2 HIS 43 -1.960 3.435 -7.845 334 2HB HIS 43 HB1 HIS 43 -0.818 4.672 -8.392 335 HD1 HIS 43 HD1 HIS 43 -3.270 6.952 -8.153 336 HD2 HIS 43 HD2 HIS 43 -1.705 4.446 -5.192 337 HE1 HIS 43 HE1 HIS 43 -3.759 8.008 -5.893 338 H LEU 44 H LEU 44 -3.939 3.732 -11.542 339 HA LEU 44 HA LEU 44 -2.143 1.566 -12.166 340 1HB LEU 44 HB1 LEU 44 -4.313 2.904 -13.831 341 2HB LEU 44 HB2 LEU 44 -3.502 1.373 -14.227 342 HG LEU 44 HG LEU 44 -4.281 0.877 -11.625 343 1HD1 LEU 44 HD1 LEU 44 -6.800 1.611 -11.744 344 2HD1 LEU 44 HD1 LEU 44 -6.242 2.833 -12.900 345 3HD1 LEU 44 HD1 LEU 44 -5.602 2.819 -11.242 346 1HD2 LEU 44 HD2 LEU 44 -5.932 0.456 -14.167 347 2HD2 LEU 44 HD2 LEU 44 -4.607 -0.589 -13.601 348 3HD2 LEU 44 HD2 LEU 44 -6.106 -0.458 -12.650 349 H ASP 45 H ASP 45 -2.723 4.836 -13.547 350 HA ASP 45 HA ASP 45 -0.419 4.583 -15.341 351 1HB ASP 45 H ASP 45 -2.476 5.829 -15.990 352 2HB ASP 45 H ASP 45 -2.199 6.963 -14.652 353 H ILE 46 H ILE 46 0.753 3.974 -13.174 354 HA ILE 46 HA ILE 46 1.668 6.403 -11.730 355 HB ILE 46 HB ILE 46 0.821 4.631 -10.308 356 1HG1 ILE 46 HG1 ILE 46 3.854 4.580 -10.204 357 2HG1 ILE 46 HG1 ILE 46 2.861 5.926 -9.605 358 1HG2 ILE 46 HG2 ILE 46 1.850 2.382 -10.281 359 2HG2 ILE 46 HG2 ILE 46 2.883 2.835 -11.652 360 3HG2 ILE 46 HG2 ILE 46 1.122 2.726 -11.858 361 1HD1 ILE 46 HD1 ILE 46 1.631 4.152 -8.183 362 2HD1 ILE 46 HD1 ILE 46 2.984 3.066 -8.588 363 3HD1 ILE 46 HD1 ILE 46 3.287 4.570 -7.694 364 H GLY 47 H GLY 47 3.865 6.921 -11.572 365 1HA GLY 47 HA2 GLY 47 5.497 6.381 -13.832 366 2HA GLY 47 HA1 GLY 47 6.040 7.092 -12.293 367 H LEU 48 H LEU 48 7.029 4.820 -14.239 368 HA LEU 48 HA LEU 48 6.878 2.325 -13.010 369 1HB LEU 48 HB2 LEU 48 7.857 2.734 -15.235 370 2HB LEU 48 HB1 LEU 48 9.217 3.606 -14.495 371 HG LEU 48 HG LEU 48 9.889 1.529 -13.292 372 1HD1 LEU 48 HD1 LEU 48 7.802 0.360 -13.024 373 2HD1 LEU 48 HD1 LEU 48 8.788 -0.634 -14.118 374 3HD1 LEU 48 HD1 LEU 48 7.485 0.385 -14.775 375 1HD2 LEU 48 HD2 LEU 48 10.822 2.047 -15.533 376 2HD2 LEU 48 HD2 LEU 48 9.492 1.138 -16.290 377 3HD2 LEU 48 HD2 LEU 48 10.684 0.292 -15.271 378 H LYS 49 H LYS 49 9.051 5.078 -12.233 379 HA LYS 49 HA LYS 49 10.714 3.658 -10.412 380 1HB LYS 49 H LYS 49 9.958 6.596 -10.643 381 2HB LYS 49 H LYS 49 11.188 5.996 -9.515 382 1HG LYS 49 H LYS 49 11.226 5.751 -12.563 383 2HG LYS 49 H LYS 49 12.268 6.790 -11.571 384 1HD LYS 49 H LYS 49 12.281 3.742 -11.720 385 2HD LYS 49 H LYS 49 13.576 4.864 -12.174 386 1HE LYS 49 H LYS 49 13.768 5.586 -9.789 387 2HE LYS 49 H LYS 49 12.532 4.392 -9.343 388 1HZ LYS 49 H LYS 49 15.071 3.726 -10.649 389 2HZ LYS 49 H LYS 49 13.940 2.664 -10.072 390 3HZ LYS 49 H LYS 49 14.793 3.618 -9.027 391 H GLN 50 H GLN 50 7.599 5.397 -9.951 392 HA GLN 50 HA GLN 50 7.640 5.100 -7.082 393 1HB GLN 50 HB2 GLN 50 5.381 5.631 -9.048 394 2HB GLN 50 HB1 GLN 50 5.207 5.670 -7.279 395 1HG GLN 50 HG1 GLN 50 7.161 7.349 -7.293 396 2HG GLN 50 HG2 GLN 50 6.896 7.473 -9.046 397 1HE2 GLN 50 HE2 GLN 50 4.705 8.119 -9.787 398 2HE2 GLN 50 HE2 GLN 50 3.748 9.179 -8.777 399 H LYS 51 H LYS 51 5.942 3.328 -9.747 400 HA LYS 51 HA LYS 51 4.670 1.359 -8.229 401 1HB LYS 51 H LYS 51 4.753 1.861 -10.826 402 2HB LYS 51 H LYS 51 6.063 0.660 -10.820 403 1HG LYS 51 H LYS 51 4.465 -0.889 -9.550 404 2HG LYS 51 H LYS 51 3.182 0.289 -9.915 405 1HD LYS 51 H LYS 51 4.038 0.053 -12.399 406 2HD LYS 51 H LYS 51 4.763 -1.465 -11.812 407 1HE LYS 51 H LYS 51 2.388 -1.922 -10.802 408 2HE LYS 51 H LYS 51 1.841 -0.662 -11.930 409 1HZ LYS 51 H LYS 51 3.305 -3.091 -12.694 410 2HZ LYS 51 H LYS 51 1.671 -2.883 -12.834 411 3HZ LYS 51 H LYS 51 2.708 -1.946 -13.720 412 H GLN 52 H GLN 52 8.015 1.399 -9.531 413 HA GLN 52 HA GLN 52 8.818 -1.141 -8.570 414 1HB GLN 52 HB2 GLN 52 10.059 0.122 -10.270 415 2HB GLN 52 HB1 GLN 52 10.405 1.414 -9.099 416 1HG GLN 52 HG2 GLN 52 11.718 -0.136 -7.724 417 2HG GLN 52 HG1 GLN 52 11.298 -1.486 -8.800 418 1HE2 GLN 52 HE2 GLN 52 12.826 -1.998 -10.278 419 2HE2 GLN 52 HE2 GLN 52 14.018 -0.898 -10.934 420 H TRP 53 H TRP 53 9.395 2.148 -7.176 421 HA TRP 53 HA TRP 53 10.692 1.405 -4.831 422 1HB TRP 53 HB1 TRP 53 10.578 3.687 -5.379 423 2HB TRP 53 HB2 TRP 53 8.820 3.655 -5.553 424 HD1 TRP 53 HD1 TRP 53 11.360 3.136 -2.687 425 HE1 TRP 53 HE1 TRP 53 10.467 4.232 -0.534 426 HE3 TRP 53 HE3 TRP 53 6.833 4.766 -4.441 427 HZ2 TRP 53 HZ2 TRP 53 8.113 5.636 0.289 428 HZ3 TRP 53 HZ3 TRP 53 5.289 5.976 -2.934 429 HH2 TRP 53 HH2 TRP 53 5.930 6.440 -0.586 430 H LEU 54 H LEU 54 7.126 1.671 -5.366 431 HA LEU 54 HA LEU 54 6.352 1.133 -2.717 432 1HB LEU 54 HB2 LEU 54 5.021 0.535 -5.382 433 2HB LEU 54 HB1 LEU 54 4.219 0.259 -3.823 434 HG LEU 54 HG LEU 54 5.406 2.956 -4.590 435 1HD1 LEU 54 HD1 LEU 54 2.557 1.938 -4.956 436 2HD1 LEU 54 HD1 LEU 54 3.701 2.339 -6.259 437 3HD1 LEU 54 HD1 LEU 54 3.089 3.621 -5.188 438 1HD2 LEU 54 HD2 LEU 54 5.016 2.731 -2.213 439 2HD2 LEU 54 HD2 LEU 54 3.686 3.705 -2.872 440 3HD2 LEU 54 HD2 LEU 54 3.425 1.988 -2.488 441 H MET 55 H MET 55 7.050 -1.096 -5.429 442 HA MET 55 HA MET 55 6.301 -3.448 -3.918 443 1HB MET 55 HB2 MET 55 6.198 -3.042 -6.455 444 2HB MET 55 HB1 MET 55 7.955 -3.321 -6.465 445 1HG MET 55 HG2 MET 55 7.614 -5.533 -5.432 446 2HG MET 55 HG1 MET 55 5.868 -5.245 -5.374 447 1HE MET 55 HE1 MET 55 7.168 -7.859 -6.560 448 2HE MET 55 HE2 MET 55 6.176 -8.085 -8.020 449 3HE MET 55 HE3 MET 55 5.416 -7.547 -6.504 450 H THR 56 H THR 56 9.402 -1.748 -4.570 451 HA THR 56 HA THR 56 10.880 -4.058 -3.422 452 HB THR 56 HB THR 56 12.867 -2.929 -4.375 453 HG1 THR 56 HG1 THR 56 12.518 -1.083 -5.640 454 1HG2 THR 56 HG2 THR 56 10.564 -3.143 -6.367 455 2HG2 THR 56 HG2 THR 56 11.488 -4.525 -5.731 456 3HG2 THR 56 HG2 THR 56 12.299 -3.293 -6.727 457 H GLU 57 H GLU 57 9.556 -1.136 -2.240 458 HA GLU 57 HA GLU 57 11.566 -1.173 -0.046 459 1HB GLU 57 H GLU 57 12.200 0.611 -1.651 460 2HB GLU 57 H GLU 57 10.602 1.350 -1.427 461 1HG GLU 57 H GLU 57 11.049 1.628 0.986 462 2HG GLU 57 H GLU 57 12.636 0.854 0.788 463 H ALA 58 H ALA 58 8.742 0.913 -0.861 464 HA ALA 58 HA ALA 58 7.924 1.296 1.752 465 1HB ALA 58 HB1 ALA 58 7.106 2.487 -0.298 466 2HB ALA 58 HB2 ALA 58 5.819 2.025 0.837 467 3HB ALA 58 HB3 ALA 58 6.072 1.082 -0.642 468 H LEU 59 H LEU 59 6.327 -1.072 -0.488 469 HA LEU 59 HA LEU 59 4.724 -2.098 1.675 470 1HB LEU 59 HB2 LEU 59 5.206 -3.222 -1.110 471 2HB LEU 59 HB1 LEU 59 3.869 -3.644 -0.020 472 HG LEU 59 HG LEU 59 4.381 -0.800 -1.008 473 1HD1 LEU 59 HD1 LEU 59 2.442 -2.898 -2.052 474 2HD1 LEU 59 HD1 LEU 59 2.543 -1.204 -2.590 475 3HD1 LEU 59 HD1 LEU 59 3.896 -2.316 -2.897 476 1HD2 LEU 59 HD2 LEU 59 3.049 -0.939 1.053 477 2HD2 LEU 59 HD2 LEU 59 2.000 -0.504 -0.314 478 3HD2 LEU 59 HD2 LEU 59 2.000 -2.170 0.310 479 H VAL 60 H VAL 60 7.996 -2.594 1.289 480 HA VAL 60 HA VAL 60 7.745 -5.404 2.290 481 HB VAL 60 HB VAL 60 10.103 -5.713 1.488 482 1HG1 VAL 60 HG1 VAL 60 8.179 -6.522 0.183 483 2HG1 VAL 60 HG1 VAL 60 8.025 -4.931 -0.601 484 3HG1 VAL 60 HG1 VAL 60 9.462 -5.934 -0.900 485 1HG2 VAL 60 HG2 VAL 60 11.045 -4.147 -0.101 486 2HG2 VAL 60 HG2 VAL 60 9.593 -3.126 -0.021 487 3HG2 VAL 60 HG2 VAL 60 10.665 -3.266 1.395 488 H ASN 61 H ASN 61 8.031 -2.350 3.435 489 HA ASN 61 HA ASN 61 9.473 -3.353 5.806 490 1HB ASN 61 HB1 ASN 61 10.913 -1.372 5.961 491 2HB ASN 61 HB2 ASN 61 11.252 -2.316 4.499 492 1HD2 ASN 61 HD2 ASN 61 12.139 -0.657 3.283 493 2HD2 ASN 61 HD2 ASN 61 11.231 0.737 2.747 494 H ASN 62 H ASN 62 7.008 -1.389 4.342 495 HA ASN 62 HA ASN 62 6.500 0.428 6.464 496 1HB ASN 62 HB2 ASN 62 5.586 0.621 4.170 497 2HB ASN 62 HB1 ASN 62 4.592 -0.822 4.442 498 1HD2 ASN 62 HD2 ASN 62 3.496 1.664 3.694 499 2HD2 ASN 62 HD2 ASN 62 2.558 2.298 5.027 500 HA PRO 63 HA PRO 63 5.352 -2.721 9.441 501 1HB PRO 63 HB1 PRO 63 4.236 -0.716 11.211 502 2HB PRO 63 HB2 PRO 63 5.775 -1.607 11.365 503 1HG PRO 63 HG2 PRO 63 5.379 1.163 10.623 504 2HG PRO 63 HG1 PRO 63 6.919 0.275 10.792 505 1HD PRO 63 HD2 PRO 63 5.614 1.135 8.364 506 2HD PRO 63 HD1 PRO 63 7.149 0.236 8.535 507 H LYS 64 H LYS 64 3.156 -0.257 8.114 508 HA LYS 64 HA LYS 64 0.771 -1.447 9.269 509 1HB LYS 64 H LYS 64 1.188 0.574 7.035 510 2HB LYS 64 H LYS 64 -0.405 0.097 7.664 511 1HG LYS 64 H LYS 64 1.524 0.863 9.784 512 2HG LYS 64 H LYS 64 1.156 2.174 8.645 513 1HD LYS 64 H LYS 64 -0.448 2.254 10.488 514 2HD LYS 64 H LYS 64 -1.288 1.776 8.998 515 1HE LYS 64 H LYS 64 -2.030 0.387 10.886 516 2HE LYS 64 H LYS 64 -1.168 -0.607 9.697 517 1HZ LYS 64 H LYS 64 0.769 -0.477 11.085 518 2HZ LYS 64 H LYS 64 -0.017 0.475 12.177 519 3HZ LYS 64 H LYS 64 -0.501 -1.084 11.942 520 H ILE 65 H ILE 65 2.840 -2.339 6.668 521 HA ILE 65 HA ILE 65 0.631 -3.923 5.420 522 HB ILE 65 HB ILE 65 2.966 -2.410 4.299 523 1HG1 ILE 65 HG1 ILE 65 1.346 -2.173 2.397 524 2HG1 ILE 65 HG1 ILE 65 0.189 -3.186 3.282 525 1HG2 ILE 65 HG2 ILE 65 2.964 -3.884 2.263 526 2HG2 ILE 65 HG2 ILE 65 1.989 -5.067 3.160 527 3HG2 ILE 65 HG2 ILE 65 3.642 -4.679 3.699 528 1HD1 ILE 65 HD1 ILE 65 -0.008 -0.583 3.454 529 2HD1 ILE 65 HD1 ILE 65 1.371 -0.712 4.570 530 3HD1 ILE 65 HD1 ILE 65 -0.157 -1.546 4.936 531 H GLU 66 H GLU 66 0.957 -6.113 5.069 532 HA GLU 66 HA GLU 66 3.427 -7.299 6.258 533 1HB GLU 66 H GLU 66 1.282 -7.496 7.647 534 2HB GLU 66 H GLU 66 0.631 -8.502 6.338 535 1HG GLU 66 H GLU 66 1.564 -10.011 7.955 536 2HG GLU 66 H GLU 66 2.703 -9.974 6.595 537 H VAL 67 H VAL 67 4.502 -8.665 4.918 538 HA VAL 67 HA VAL 67 3.342 -9.212 2.259 539 HB VAL 67 HB VAL 67 6.084 -9.988 3.344 540 1HG1 VAL 67 HG1 VAL 67 5.364 -11.078 1.239 541 2HG1 VAL 67 HG1 VAL 67 6.678 -9.919 0.934 542 3HG1 VAL 67 HG1 VAL 67 5.000 -9.484 0.533 543 1HG2 VAL 67 HG2 VAL 67 6.837 -7.859 2.162 544 2HG2 VAL 67 HG2 VAL 67 5.125 -7.383 2.091 545 3HG2 VAL 67 HG2 VAL 67 5.924 -7.600 3.665 546 H ILE 68 H ILE 68 2.369 -11.135 1.754 547 HA ILE 68 HA ILE 68 2.831 -13.416 3.640 548 HB ILE 68 HB ILE 68 0.301 -12.781 2.057 549 1HG1 ILE 68 HG1 ILE 68 0.744 -11.077 3.840 550 2HG1 ILE 68 HG1 ILE 68 -0.696 -12.060 4.165 551 1HG2 ILE 68 HG2 ILE 68 0.339 -15.124 2.488 552 2HG2 ILE 68 HG2 ILE 68 -0.619 -14.454 3.824 553 3HG2 ILE 68 HG2 ILE 68 1.082 -14.906 4.087 554 1HD1 ILE 68 HD1 ILE 68 0.603 -13.478 5.724 555 2HD1 ILE 68 HD1 ILE 68 0.664 -11.770 6.207 556 3HD1 ILE 68 HD1 ILE 68 2.058 -12.511 5.398 557 H ASP 69 H ASP 69 0.876 -14.056 0.856 558 HA ASP 69 HA ASP 69 2.951 -15.819 -0.205 559 1HB ASP 69 H ASP 69 0.588 -16.531 -0.001 560 2HB ASP 69 H ASP 69 0.095 -15.228 -1.103 561 H GLY 70 H GLY 70 4.097 -13.438 -0.450 562 1HA GLY 70 HA1 GLY 70 5.205 -12.226 -2.091 563 2HA GLY 70 HA2 GLY 70 4.204 -13.005 -3.336 564 H LYS 71 H LYS 71 1.626 -12.304 -2.061 565 HA LYS 71 HA LYS 71 1.362 -9.630 -3.168 566 1HB LYS 71 H LYS 71 -0.508 -11.690 -1.988 567 2HB LYS 71 H LYS 71 -1.047 -10.023 -2.186 568 1HG LYS 71 H LYS 71 -1.718 -11.133 -4.177 569 2HG LYS 71 H LYS 71 -0.290 -10.185 -4.603 570 1HD LYS 71 H LYS 71 -0.001 -12.310 -5.636 571 2HD LYS 71 H LYS 71 1.099 -12.287 -4.253 572 1HE LYS 71 H LYS 71 -0.619 -13.531 -2.910 573 2HE LYS 71 H LYS 71 -1.661 -13.588 -4.346 574 1HZ LYS 71 H LYS 71 -0.005 -14.860 -5.450 575 2HZ LYS 71 H LYS 71 1.050 -14.713 -4.187 576 3HZ LYS 71 H LYS 71 -0.340 -15.590 -4.003 577 H TYR 72 H TYR 72 0.135 -7.925 -1.847 578 HA TYR 72 HA TYR 72 1.465 -7.759 0.823 579 1HB TYR 72 HB2 TYR 72 0.530 -5.580 -1.075 580 2HB TYR 72 HB1 TYR 72 1.357 -5.328 0.472 581 HD1 TYR 72 HD1 TYR 72 3.686 -6.400 0.755 582 HD2 TYR 72 HD2 TYR 72 1.786 -5.859 -3.071 583 HE1 TYR 72 HE1 TYR 72 5.887 -6.632 -0.368 584 HE2 TYR 72 HE2 TYR 72 3.990 -6.092 -4.194 585 HH TYR 72 HH TYR 72 6.226 -6.585 -3.916 586 H ALA 73 H ALA 73 0.238 -7.785 2.575 587 HA ALA 73 HA ALA 73 -2.672 -7.133 2.322 588 1HB ALA 73 HB1 ALA 73 -2.948 -8.576 4.317 589 2HB ALA 73 HB2 ALA 73 -1.196 -8.895 4.332 590 3HB ALA 73 HB3 ALA 73 -2.197 -9.478 2.986 591 H PHE 74 H PHE 74 -3.548 -6.337 4.532 592 HA PHE 74 HA PHE 74 -1.763 -4.165 5.460 593 1HB PHE 74 HB2 PHE 74 -3.895 -3.383 4.836 594 2HB PHE 74 HB1 PHE 74 -4.728 -4.724 5.621 595 HD1 PHE 74 HD1 PHE 74 -5.057 -4.743 8.052 596 HD2 PHE 74 HD2 PHE 74 -3.107 -1.443 6.107 597 HE1 PHE 74 HE1 PHE 74 -5.438 -3.351 10.059 598 HE2 PHE 74 HE2 PHE 74 -3.464 -0.051 8.135 599 HZ PHE 74 HZ PHE 74 -4.660 -1.004 10.096 600 H LYS 75 H LYS 75 -0.653 -4.390 7.283 601 HA LYS 75 HA LYS 75 -0.914 -6.723 8.957 602 1HB LYS 75 H LYS 75 1.133 -5.165 8.282 603 2HB LYS 75 H LYS 75 0.641 -4.254 9.719 604 1HG LYS 75 H LYS 75 1.025 -7.262 9.823 605 2HG LYS 75 H LYS 75 2.407 -6.154 9.973 606 1HD LYS 75 H LYS 75 0.998 -4.963 11.808 607 2HD LYS 75 H LYS 75 0.008 -6.442 11.808 608 1HE LYS 75 H LYS 75 2.991 -6.197 12.380 609 2HE LYS 75 H LYS 75 1.712 -6.705 13.502 610 1HZ LYS 75 H LYS 75 1.347 -8.583 11.941 611 2HZ LYS 75 H LYS 75 2.741 -8.162 11.164 612 3HZ LYS 75 H LYS 75 2.780 -8.622 12.757 613 HA PRO 76 HA PRO 76 -4.082 -4.635 11.384 614 1HB PRO 76 HB1 PRO 76 -4.675 -6.817 13.029 615 2HB PRO 76 HB2 PRO 76 -5.408 -6.489 11.435 616 1HG PRO 76 HG2 PRO 76 -3.372 -8.514 12.183 617 2HG PRO 76 HG1 PRO 76 -4.471 -8.479 10.775 618 1HD PRO 76 HD2 PRO 76 -1.687 -7.830 10.808 619 2HD PRO 76 HD1 PRO 76 -2.836 -7.582 9.463 620 H LYS 77 H LYS 77 -2.672 -7.063 13.626 621 HA LYS 77 HA LYS 77 -1.023 -5.103 15.015 622 1HB LYS 77 H LYS 77 -3.370 -4.497 15.714 623 2HB LYS 77 H LYS 77 -3.561 -6.138 16.364 624 1HG LYS 77 H LYS 77 -1.112 -5.144 17.438 625 2HG LYS 77 H LYS 77 -2.282 -3.813 17.567 626 1HD LYS 77 H LYS 77 -3.796 -5.110 18.870 627 2HD LYS 77 H LYS 77 -3.023 -6.641 18.402 628 1HE LYS 77 H LYS 77 -2.406 -6.077 20.698 629 2HE LYS 77 H LYS 77 -0.977 -5.987 19.647 630 1HZ LYS 77 H LYS 77 -1.148 -4.121 21.145 631 2HZ LYS 77 H LYS 77 -1.238 -3.627 19.574 632 3HZ LYS 77 H LYS 77 -2.603 -3.690 20.499 633 H TYR 78 H TYR 78 -0.489 -7.628 13.785 634 HA TYR 78 HA TYR 78 -0.226 -9.515 16.064 635 1HB TYR 78 HB2 TYR 78 0.387 -9.886 13.111 636 2HB TYR 78 HB1 TYR 78 0.403 -11.147 14.353 637 HD1 TYR 78 HD1 TYR 78 -1.210 -11.096 11.720 638 HD2 TYR 78 HD2 TYR 78 -2.221 -9.981 15.761 639 HE1 TYR 78 HE1 TYR 78 -3.604 -11.570 11.262 640 HE2 TYR 78 HE2 TYR 78 -4.604 -10.446 15.297 641 HH TYR 78 HH TYR 78 -5.733 -11.608 12.102 642 H ASN 79 H ASN 79 1.257 -7.732 16.933 643 HA ASN 79 HA ASN 79 3.975 -8.654 16.663 644 1HB ASN 79 HB1 ASN 79 3.906 -7.253 14.637 645 2HB ASN 79 HB2 ASN 79 3.285 -5.884 15.582 646 1HD2 ASN 79 HD2 ASN 79 4.691 -4.980 17.292 647 2HD2 ASN 79 HD2 ASN 79 6.429 -5.062 17.080 648 H VAL 80 H VAL 80 4.204 -8.815 18.847 649 HA VAL 80 HA VAL 80 3.791 -6.332 20.448 650 HB VAL 80 HB VAL 80 3.052 -9.185 21.252 651 1HG1 VAL 80 HG1 VAL 80 3.885 -7.922 23.170 652 2HG1 VAL 80 HG1 VAL 80 2.883 -6.519 22.728 653 3HG1 VAL 80 HG1 VAL 80 2.114 -8.025 23.281 654 1HG2 VAL 80 HG2 VAL 80 1.364 -6.726 20.603 655 2HG2 VAL 80 HG2 VAL 80 0.730 -8.212 21.350 656 3HG2 VAL 80 HG2 VAL 80 1.400 -8.262 19.705 657 H ARG 81 H ARG 81 5.381 -5.910 21.945 658 HA ARG 81 HA ARG 81 7.604 -7.889 22.168 659 1HB ARG 81 H ARG 81 7.701 -4.866 21.795 660 2HB ARG 81 H ARG 81 9.096 -5.827 22.325 661 1HG ARG 81 H ARG 81 7.571 -6.164 19.695 662 2HG ARG 81 H ARG 81 9.181 -5.439 19.887 663 1HD ARG 81 H ARG 81 8.355 -8.332 20.225 664 2HD ARG 81 H ARG 81 9.628 -7.658 19.193 665 HE ARG 81 H ARG 81 10.659 -6.999 21.539 666 1HH1 ARG 81 H ARG 81 9.205 -10.051 20.474 667 2HH1 ARG 81 H ARG 81 9.933 -10.997 21.750 668 1HH2 ARG 81 H ARG 81 11.559 -8.247 23.261 669 2HH2 ARG 81 H ARG 81 11.334 -9.980 23.293 Start of MODEL 6 1 1H ALA 1 H1 ALA 1 16.558 19.399 -9.820 2 2H ALA 1 H2 ALA 1 17.735 18.858 -10.845 3 3H ALA 1 H3 ALA 1 16.346 19.509 -11.451 4 HA ALA 1 HA ALA 1 16.306 17.145 -11.679 5 1HB ALA 1 HB1 ALA 1 17.801 16.685 -9.749 6 2HB ALA 1 HB2 ALA 1 16.498 17.179 -8.640 7 3HB ALA 1 HB3 ALA 1 16.294 15.740 -9.668 8 H LEU 2 H LEU 2 14.347 15.747 -10.853 9 HA LEU 2 HA LEU 2 12.021 17.464 -11.013 10 1HB LEU 2 HB1 LEU 2 12.125 15.270 -12.142 11 2HB LEU 2 HB2 LEU 2 12.311 14.458 -10.573 12 HG LEU 2 HG LEU 2 10.075 15.349 -9.872 13 1HD1 LEU 2 HD1 LEU 2 9.869 17.357 -11.187 14 2HD1 LEU 2 HD1 LEU 2 8.614 16.243 -11.774 15 3HD1 LEU 2 HD1 LEU 2 10.112 16.464 -12.708 16 1HD2 LEU 2 HD2 LEU 2 10.068 13.853 -12.528 17 2HD2 LEU 2 HD2 LEU 2 10.285 13.112 -10.923 18 3HD2 LEU 2 HD2 LEU 2 8.738 13.886 -11.345 19 H SER 3 H SER 3 11.869 18.743 -9.173 20 HA SER 3 HA SER 3 12.137 17.623 -6.504 21 1HB SER 3 HB2 SER 3 11.030 20.296 -7.469 22 2HB SER 3 HB1 SER 3 11.467 19.886 -5.793 23 HG SER 3 HG SER 3 13.151 20.981 -6.902 24 H GLY 4 H GLY 4 10.556 15.832 -6.946 25 1HA GLY 4 HA1 GLY 4 7.741 16.482 -7.228 26 2HA GLY 4 HA2 GLY 4 8.449 14.892 -6.872 27 H SER 5 H SER 5 7.966 18.123 -5.332 28 HA SER 5 HA SER 5 8.043 17.000 -2.650 29 1HB SER 5 HB2 SER 5 8.765 19.335 -3.271 30 2HB SER 5 HB1 SER 5 7.057 19.727 -3.589 31 HG SER 5 HG SER 5 6.673 18.982 -1.381 32 H SER 6 H SER 6 5.587 17.689 -5.099 33 HA SER 6 HA SER 6 3.341 17.556 -3.255 34 1HB SER 6 HB2 SER 6 3.257 18.882 -5.335 35 2HB SER 6 HB1 SER 6 3.492 17.404 -6.299 36 HG SER 6 HG SER 6 1.543 16.617 -5.446 37 H GLY 7 H GLY 7 4.341 15.450 -2.328 38 1HA GLY 7 HA2 GLY 7 3.868 13.228 -1.928 39 2HA GLY 7 HA1 GLY 7 2.725 13.242 -3.288 40 H TYR 8 H TYR 8 3.399 12.597 -5.345 41 HA TYR 8 HA TYR 8 4.621 11.450 -6.882 42 1HB TYR 8 HB1 TYR 8 6.043 13.190 -7.291 43 2HB TYR 8 HB2 TYR 8 6.558 13.320 -5.611 44 HD1 TYR 8 HD1 TYR 8 6.999 11.199 -8.680 45 HD2 TYR 8 HD2 TYR 8 8.655 12.545 -4.937 46 HE1 TYR 8 HE1 TYR 8 9.164 10.109 -9.240 47 HE2 TYR 8 HE2 TYR 8 10.811 11.457 -5.498 48 HH TYR 8 HH TYR 8 11.967 10.203 -7.004 49 H LYS 9 H LYS 9 4.500 10.590 -3.792 50 HA LYS 9 HA LYS 9 5.083 7.902 -4.135 51 1HB LYS 9 H LYS 9 7.191 7.848 -2.569 52 2HB LYS 9 H LYS 9 7.387 8.058 -4.315 53 1HG LYS 9 H LYS 9 7.798 10.405 -4.066 54 2HG LYS 9 H LYS 9 7.227 10.405 -2.391 55 1HD LYS 9 H LYS 9 9.707 10.483 -2.529 56 2HD LYS 9 H LYS 9 9.137 9.013 -1.708 57 1HE LYS 9 H LYS 9 9.541 8.874 -4.686 58 2HE LYS 9 H LYS 9 10.993 8.953 -3.666 59 1HZ LYS 9 H LYS 9 10.317 6.707 -4.078 60 2HZ LYS 9 H LYS 9 8.838 6.978 -3.403 61 3HZ LYS 9 H LYS 9 10.195 7.055 -2.470 62 H PHE 10 H PHE 10 5.422 10.584 -1.768 63 HA PHE 10 HA PHE 10 4.674 9.002 0.496 64 1HB PHE 10 HB2 PHE 10 4.281 11.992 0.253 65 2HB PHE 10 HB1 PHE 10 4.715 11.041 1.683 66 HD1 PHE 10 HD1 PHE 10 5.986 13.285 -0.662 67 HD2 PHE 10 HD2 PHE 10 6.983 9.554 1.246 68 HE1 PHE 10 HE1 PHE 10 8.386 13.673 -1.153 69 HE2 PHE 10 HE2 PHE 10 9.382 9.945 0.753 70 HZ PHE 10 HZ PHE 10 10.089 12.009 -0.440 71 H GLY 11 H GLY 11 2.816 11.324 -1.553 72 1HA GLY 11 HA1 GLY 11 0.366 11.148 -0.169 73 2HA GLY 11 HA2 GLY 11 0.556 11.561 -1.887 74 H VAL 12 H VAL 12 1.591 9.227 -2.967 75 HA VAL 12 HA VAL 12 -0.758 7.643 -3.245 76 HB VAL 12 HB VAL 12 2.087 7.537 -4.211 77 1HG1 VAL 12 HG1 VAL 12 1.320 5.353 -5.446 78 2HG1 VAL 12 HG1 VAL 12 1.932 5.225 -3.781 79 3HG1 VAL 12 HG1 VAL 12 0.186 5.184 -4.090 80 1HG2 VAL 12 HG2 VAL 12 -0.643 7.320 -5.568 81 2HG2 VAL 12 HG2 VAL 12 0.297 8.818 -5.385 82 3HG2 VAL 12 HG2 VAL 12 0.923 7.492 -6.390 83 H LEU 13 H LEU 13 2.368 7.002 -1.524 84 HA LEU 13 HA LEU 13 1.722 4.408 -0.639 85 1HB LEU 13 HB2 LEU 13 3.970 5.342 -0.507 86 2HB LEU 13 HB1 LEU 13 3.428 6.579 0.649 87 HG LEU 13 HG LEU 13 2.852 4.794 2.287 88 1HD1 LEU 13 HD1 LEU 13 3.746 2.460 1.768 89 2HD1 LEU 13 HD1 LEU 13 3.904 2.979 0.074 90 3HD1 LEU 13 HD1 LEU 13 2.302 2.933 0.847 91 1HD2 LEU 13 HD2 LEU 13 5.113 5.810 2.295 92 2HD2 LEU 13 HD2 LEU 13 5.171 4.105 2.798 93 3HD2 LEU 13 HD2 LEU 13 5.675 4.565 1.154 94 H ALA 14 H ALA 14 1.143 7.591 0.967 95 HA ALA 14 HA ALA 14 -0.018 6.536 3.339 96 1HB ALA 14 HB1 ALA 14 0.795 8.852 3.105 97 2HB ALA 14 HB2 ALA 14 -0.911 8.831 3.612 98 3HB ALA 14 HB3 ALA 14 -0.489 9.197 1.921 99 H LYS 15 H LYS 15 -1.505 7.510 0.183 100 HA LYS 15 HA LYS 15 -4.194 7.148 1.063 101 1HB LYS 15 H LYS 15 -3.575 8.460 -0.922 102 2HB LYS 15 H LYS 15 -2.972 6.998 -1.720 103 1HG LYS 15 H LYS 15 -5.067 6.358 -2.344 104 2HG LYS 15 H LYS 15 -5.701 6.621 -0.706 105 1HD LYS 15 H LYS 15 -6.908 8.208 -1.911 106 2HD LYS 15 H LYS 15 -5.538 9.184 -1.343 107 1HE LYS 15 H LYS 15 -5.743 7.826 -4.074 108 2HE LYS 15 H LYS 15 -6.029 9.550 -3.759 109 1HZ LYS 15 H LYS 15 -3.715 9.558 -2.864 110 2HZ LYS 15 H LYS 15 -3.864 9.374 -4.497 111 3HZ LYS 15 H LYS 15 -3.514 8.069 -3.552 112 H ILE 16 H ILE 16 -1.790 4.972 -0.507 113 HA ILE 16 HA ILE 16 -3.510 2.737 -0.836 114 HB ILE 16 HB ILE 16 -0.512 3.065 -0.516 115 1HG1 ILE 16 HG1 ILE 16 -2.196 2.033 -2.848 116 2HG1 ILE 16 HG1 ILE 16 -1.764 3.743 -2.643 117 1HG2 ILE 16 HG2 ILE 16 -0.369 0.617 -1.158 118 2HG2 ILE 16 HG2 ILE 16 -2.113 0.489 -0.843 119 3HG2 ILE 16 HG2 ILE 16 -0.992 0.895 0.477 120 1HD1 ILE 16 HD1 ILE 16 -0.129 2.756 -4.127 121 2HD1 ILE 16 HD1 ILE 16 0.147 1.399 -3.020 122 3HD1 ILE 16 HD1 ILE 16 0.672 3.036 -2.566 123 H VAL 17 H VAL 17 -1.296 3.631 1.858 124 HA VAL 17 HA VAL 17 -1.791 1.425 3.519 125 HB VAL 17 HB VAL 17 -1.014 4.315 4.005 126 1HG1 VAL 17 HG1 VAL 17 -2.219 3.745 6.028 127 2HG1 VAL 17 HG1 VAL 17 -0.483 3.597 6.375 128 3HG1 VAL 17 HG1 VAL 17 -1.459 2.135 6.091 129 1HG2 VAL 17 HG2 VAL 17 0.446 1.680 4.474 130 2HG2 VAL 17 HG2 VAL 17 0.576 2.637 2.980 131 3HG2 VAL 17 HG2 VAL 17 1.143 3.317 4.523 132 H ASN 18 H ASN 18 -3.610 4.535 3.240 133 HA ASN 18 HA ASN 18 -5.412 3.884 5.394 134 1HB ASN 18 HB2 ASN 18 -4.906 6.195 4.618 135 2HB ASN 18 HB1 ASN 18 -5.751 5.846 3.093 136 1HD2 ASN 18 HD2 ASN 18 -7.492 7.256 3.305 137 2HD2 ASN 18 HD2 ASN 18 -8.689 7.129 4.575 138 H TYR 19 H TYR 19 -5.520 3.486 1.838 139 HA TYR 19 HA TYR 19 -8.263 2.707 1.687 140 1HB TYR 19 HB2 TYR 19 -7.584 3.150 -0.422 141 2HB TYR 19 HB1 TYR 19 -5.891 2.814 -0.048 142 HD1 TYR 19 HD1 TYR 19 -9.135 1.113 -0.842 143 HD2 TYR 19 HD2 TYR 19 -4.842 0.881 -0.823 144 HE1 TYR 19 HE1 TYR 19 -9.228 -1.015 -2.109 145 HE2 TYR 19 HE2 TYR 19 -4.951 -1.251 -2.073 146 HH TYR 19 HH TYR 19 -8.014 -2.627 -3.251 147 H MET 20 H MET 20 -5.229 0.708 1.787 148 HA MET 20 HA MET 20 -6.578 -1.810 1.882 149 1HB MET 20 HB2 MET 20 -3.843 -0.946 2.949 150 2HB MET 20 HB1 MET 20 -4.402 -2.626 2.822 151 1HG MET 20 HG2 MET 20 -4.725 -2.336 0.386 152 2HG MET 20 HG1 MET 20 -4.127 -0.679 0.521 153 1HE MET 20 HE1 MET 20 -3.332 -4.452 0.593 154 2HE MET 20 HE2 MET 20 -2.797 -4.040 2.241 155 3HE MET 20 HE3 MET 20 -1.604 -4.519 1.014 156 H LYS 21 H LYS 21 -5.792 0.610 4.408 157 HA LYS 21 HA LYS 21 -6.274 -1.112 6.647 158 1HB LYS 21 H LYS 21 -5.102 1.094 6.760 159 2HB LYS 21 H LYS 21 -6.642 1.906 6.432 160 1HG LYS 21 H LYS 21 -6.814 -0.077 8.617 161 2HG LYS 21 H LYS 21 -5.657 1.227 8.957 162 1HD LYS 21 H LYS 21 -8.331 2.017 7.821 163 2HD LYS 21 H LYS 21 -8.289 1.450 9.505 164 1HE LYS 21 H LYS 21 -7.994 3.860 9.506 165 2HE LYS 21 H LYS 21 -6.459 3.099 9.977 166 1HZ LYS 21 H LYS 21 -7.132 4.137 7.303 167 2HZ LYS 21 H LYS 21 -6.116 4.839 8.398 168 3HZ LYS 21 H LYS 21 -5.714 3.394 7.714 169 H THR 22 H THR 22 -8.361 1.362 5.051 170 HA THR 22 HA THR 22 -10.712 0.807 6.516 171 HB THR 22 HB THR 22 -10.453 1.719 3.605 172 HG1 THR 22 HG1 THR 22 -9.224 3.048 4.882 173 1HG2 THR 22 HG2 THR 22 -12.580 2.937 4.168 174 2HG2 THR 22 HG2 THR 22 -12.757 1.169 4.231 175 3HG2 THR 22 HG2 THR 22 -12.605 2.102 5.740 176 H ARG 23 H ARG 23 -9.370 -0.642 3.541 177 HA ARG 23 HA ARG 23 -11.556 -2.309 2.852 178 1HB ARG 23 H ARG 23 -8.562 -2.370 2.439 179 2HB ARG 23 H ARG 23 -9.582 -3.676 1.839 180 1HG ARG 23 H ARG 23 -10.270 -0.799 1.225 181 2HG ARG 23 H ARG 23 -9.054 -1.668 0.267 182 1HD ARG 23 H ARG 23 -10.662 -3.443 -0.216 183 2HD ARG 23 H ARG 23 -11.898 -2.627 0.748 184 HE ARG 23 H ARG 23 -11.179 -2.083 -1.988 185 1HH1 ARG 23 H ARG 23 -12.263 -0.521 1.011 186 2HH1 ARG 23 H ARG 23 -12.985 0.841 0.190 187 1HH2 ARG 23 H ARG 23 -12.174 -0.336 -3.053 188 2HH2 ARG 23 H ARG 23 -12.895 0.973 -2.132 189 H HIS 24 H HIS 24 -8.603 -2.972 4.779 190 HA HIS 24 HA HIS 24 -9.257 -5.639 5.490 191 1HB HIS 24 HB1 HIS 24 -7.010 -4.609 5.590 192 2HB HIS 24 HB2 HIS 24 -7.555 -3.538 6.889 193 HD1 HIS 24 HD1 HIS 24 -6.177 -6.945 6.238 194 HD2 HIS 24 HD2 HIS 24 -8.021 -4.908 9.377 195 HE1 HIS 24 HE1 HIS 24 -5.764 -8.274 8.369 196 H GLN 25 H GLN 25 -10.421 -2.534 6.596 197 HA GLN 25 HA GLN 25 -11.529 -3.614 9.098 198 1HB GLN 25 HB2 GLN 25 -10.532 -1.202 8.531 199 2HB GLN 25 HB1 GLN 25 -12.189 -0.899 7.962 200 1HG GLN 25 HG2 GLN 25 -13.021 -1.710 10.198 201 2HG GLN 25 HG1 GLN 25 -11.334 -1.824 10.736 202 1HE2 GLN 25 HE2 GLN 25 -13.927 0.378 9.701 203 2HE2 GLN 25 HE2 GLN 25 -13.203 1.840 10.338 204 H ARG 26 H ARG 26 -12.379 -4.392 6.133 205 HA ARG 26 HA ARG 26 -15.298 -4.179 6.689 206 1HB ARG 26 H ARG 26 -13.852 -3.454 4.114 207 2HB ARG 26 H ARG 26 -15.589 -3.836 4.173 208 1HG ARG 26 H ARG 26 -15.923 -2.036 5.849 209 2HG ARG 26 H ARG 26 -14.193 -1.646 5.768 210 1HD ARG 26 H ARG 26 -14.445 -1.187 3.323 211 2HD ARG 26 H ARG 26 -16.192 -1.487 3.476 212 HE ARG 26 H ARG 26 -15.353 0.482 5.390 213 1HH1 ARG 26 H ARG 26 -15.945 0.024 1.928 214 2HH1 ARG 26 H ARG 26 -16.347 1.699 1.636 215 1HH2 ARG 26 H ARG 26 -15.870 2.697 4.995 216 2HH2 ARG 26 H ARG 26 -16.302 3.223 3.385 217 H GLY 27 H GLY 27 -12.708 -5.729 4.682 218 1HA GLY 27 HA2 GLY 27 -13.554 -8.372 5.275 219 2HA GLY 27 HA1 GLY 27 -14.347 -7.876 3.765 220 H ASP 28 H ASP 28 -12.233 -6.179 2.752 221 HA ASP 28 HA ASP 28 -10.521 -8.221 1.573 222 1HB ASP 28 H ASP 28 -11.144 -6.478 0.129 223 2HB ASP 28 H ASP 28 -10.842 -5.222 1.340 224 H THR 29 H THR 29 -9.703 -9.035 3.642 225 HA THR 29 HA THR 29 -7.634 -7.353 4.966 226 HB THR 29 HB THR 29 -7.681 -9.161 6.677 227 HG1 THR 29 HG1 THR 29 -9.360 -10.749 6.407 228 1HG2 THR 29 HG2 THR 29 -9.228 -7.322 6.989 229 2HG2 THR 29 HG2 THR 29 -10.049 -8.827 7.442 230 3HG2 THR 29 HG2 THR 29 -10.407 -8.054 5.882 231 H HIS 30 H HIS 30 -8.199 -10.191 2.952 232 HA HIS 30 HA HIS 30 -5.785 -11.585 3.247 233 1HB HIS 30 HB2 HIS 30 -6.425 -12.652 1.147 234 2HB HIS 30 HB1 HIS 30 -7.871 -12.384 2.129 235 HD1 HIS 30 HD1 HIS 30 -8.239 -12.759 -0.913 236 HD2 HIS 30 HD2 HIS 30 -7.670 -9.037 0.877 237 HE1 HIS 30 HE1 HIS 30 -9.175 -10.971 -2.469 238 HA PRO 31 HA PRO 31 -2.796 -9.225 1.001 239 1HB PRO 31 HB1 PRO 31 -1.658 -11.469 -0.448 240 2HB PRO 31 HB2 PRO 31 -1.006 -10.656 0.997 241 1HG PRO 31 HG1 PRO 31 -2.123 -13.272 0.853 242 2HG PRO 31 HG2 PRO 31 -1.727 -12.362 2.338 243 1HD PRO 31 HD2 PRO 31 -4.357 -12.879 1.106 244 2HD PRO 31 HD1 PRO 31 -3.961 -12.351 2.766 245 H LEU 32 H LEU 32 -3.156 -7.943 -0.703 246 HA LEU 32 HA LEU 32 -4.531 -9.056 -3.101 247 1HB LEU 32 HB2 LEU 32 -4.173 -6.305 -1.883 248 2HB LEU 32 HB1 LEU 32 -4.538 -6.471 -3.610 249 HG LEU 32 HG LEU 32 -6.226 -7.524 -1.296 250 1HD1 LEU 32 HD1 LEU 32 -7.853 -5.861 -2.214 251 2HD1 LEU 32 HD1 LEU 32 -6.353 -5.101 -1.636 252 3HD1 LEU 32 HD1 LEU 32 -6.619 -5.331 -3.387 253 1HD2 LEU 32 HD2 LEU 32 -6.587 -9.106 -3.033 254 2HD2 LEU 32 HD2 LEU 32 -6.413 -7.876 -4.305 255 3HD2 LEU 32 HD2 LEU 32 -7.870 -7.907 -3.290 256 H THR 33 H THR 33 -3.631 -8.564 -5.240 257 HA THR 33 HA THR 33 -0.737 -8.625 -5.335 258 HB THR 33 HB THR 33 -1.032 -8.526 -7.765 259 HG1 THR 33 HG1 THR 33 -3.774 -8.050 -7.211 260 1HG2 THR 33 HG2 THR 33 -2.585 -10.447 -8.073 261 2HG2 THR 33 HG2 THR 33 -3.181 -10.221 -6.415 262 3HG2 THR 33 HG2 THR 33 -1.493 -10.687 -6.694 263 H LEU 34 H LEU 34 0.499 -6.992 -6.704 264 HA LEU 34 HA LEU 34 0.410 -4.445 -5.495 265 1HB LEU 34 HB2 LEU 34 2.258 -5.781 -6.889 266 2HB LEU 34 HB1 LEU 34 1.591 -4.862 -8.249 267 HG LEU 34 HG LEU 34 3.451 -3.606 -7.390 268 1HD1 LEU 34 HD1 LEU 34 2.455 -1.501 -6.842 269 2HD1 LEU 34 HD1 LEU 34 1.300 -2.344 -7.899 270 3HD1 LEU 34 HD1 LEU 34 1.018 -2.278 -6.142 271 1HD2 LEU 34 HD2 LEU 34 3.716 -2.969 -5.057 272 2HD2 LEU 34 HD2 LEU 34 2.174 -3.738 -4.625 273 3HD2 LEU 34 HD2 LEU 34 3.543 -4.734 -5.165 274 H ASP 35 H ASP 35 -0.560 -5.404 -8.853 275 HA ASP 35 HA ASP 35 -1.500 -2.870 -9.631 276 1HB ASP 35 H ASP 35 -2.290 -5.660 -10.534 277 2HB ASP 35 H ASP 35 -2.756 -4.163 -11.372 278 H GLU 36 H GLU 36 -3.277 -5.551 -7.963 279 HA GLU 36 HA GLU 36 -5.876 -4.429 -8.127 280 1HB GLU 36 H GLU 36 -4.490 -6.245 -6.154 281 2HB GLU 36 H GLU 36 -6.155 -5.690 -5.867 282 1HG GLU 36 H GLU 36 -6.895 -6.609 -7.998 283 2HG GLU 36 H GLU 36 -5.230 -7.037 -8.441 284 H ILE 37 H ILE 37 -3.170 -3.748 -5.896 285 HA ILE 37 HA ILE 37 -4.729 -1.998 -4.203 286 HB ILE 37 HB ILE 37 -1.760 -2.523 -4.627 287 1HG1 ILE 37 HG1 ILE 37 -3.378 -2.870 -2.093 288 2HG1 ILE 37 HG1 ILE 37 -3.463 -4.088 -3.382 289 1HG2 ILE 37 HG2 ILE 37 -3.087 -0.471 -2.818 290 2HG2 ILE 37 HG2 ILE 37 -1.825 -0.193 -4.037 291 3HG2 ILE 37 HG2 ILE 37 -1.444 -1.086 -2.550 292 1HD1 ILE 37 HD1 ILE 37 -0.983 -4.313 -3.317 293 2HD1 ILE 37 HD1 ILE 37 -1.731 -4.705 -1.753 294 3HD1 ILE 37 HD1 ILE 37 -0.924 -3.138 -1.982 295 H LEU 38 H LEU 38 -2.602 -1.540 -7.078 296 HA LEU 38 HA LEU 38 -2.534 1.306 -6.976 297 1HB LEU 38 HB2 LEU 38 -2.360 -0.585 -9.359 298 2HB LEU 38 HB1 LEU 38 -1.953 1.134 -9.398 299 HG LEU 38 HG LEU 38 -0.561 -1.058 -7.842 300 1HD1 LEU 38 HD1 LEU 38 0.064 -0.854 -10.202 301 2HD1 LEU 38 HD1 LEU 38 0.349 0.890 -9.987 302 3HD1 LEU 38 HD1 LEU 38 1.394 -0.288 -9.164 303 1HD2 LEU 38 HD2 LEU 38 1.012 0.797 -7.107 304 2HD2 LEU 38 HD2 LEU 38 -0.211 1.956 -7.667 305 3HD2 LEU 38 HD2 LEU 38 -0.588 0.837 -6.336 306 H ASP 39 H ASP 39 -4.604 -0.860 -9.004 307 HA ASP 39 HA ASP 39 -6.032 1.178 -10.280 308 1HB ASP 39 H ASP 39 -7.190 -0.532 -11.216 309 2HB ASP 39 H ASP 39 -5.995 -1.553 -10.398 310 H GLU 40 H GLU 40 -6.678 -0.360 -7.108 311 HA GLU 40 HA GLU 40 -9.234 0.961 -6.858 312 1HB GLU 40 H GLU 40 -8.255 -1.290 -5.842 313 2HB GLU 40 H GLU 40 -7.791 -0.212 -4.506 314 1HG GLU 40 H GLU 40 -10.035 0.422 -4.094 315 2HG GLU 40 H GLU 40 -10.581 -0.137 -5.686 316 H THR 41 H THR 41 -6.110 2.226 -6.622 317 HA THR 41 HA THR 41 -7.076 4.379 -4.776 318 HB THR 41 HB THR 41 -4.623 4.781 -4.375 319 HG1 THR 41 HG1 THR 41 -4.456 2.121 -5.336 320 1HG2 THR 41 HG2 THR 41 -5.710 2.133 -3.383 321 2HG2 THR 41 HG2 THR 41 -4.511 3.177 -2.583 322 3HG2 THR 41 HG2 THR 41 -6.192 3.725 -2.745 323 H GLN 42 H GLN 42 -6.589 3.613 -7.947 324 HA GLN 42 HA GLN 42 -6.549 4.891 -9.835 325 1HB GLN 42 HB1 GLN 42 -6.217 7.458 -8.258 326 2HB GLN 42 HB2 GLN 42 -7.022 7.193 -9.814 327 1HG GLN 42 HG1 GLN 42 -8.043 6.650 -7.023 328 2HG GLN 42 HG2 GLN 42 -8.830 7.497 -8.363 329 1HE2 GLN 42 HE2 GLN 42 -8.433 4.513 -6.701 330 2HE2 GLN 42 HE2 GLN 42 -9.420 3.521 -7.758 331 H HIS 43 H HIS 43 -4.193 3.864 -8.319 332 HA HIS 43 HA HIS 43 -2.085 5.765 -9.238 333 1HB HIS 43 HB2 HIS 43 -1.873 3.355 -7.404 334 2HB HIS 43 HB1 HIS 43 -0.623 4.567 -7.714 335 HD1 HIS 43 HD1 HIS 43 -1.387 4.030 -4.842 336 HD2 HIS 43 HD2 HIS 43 -3.344 6.887 -7.151 337 HE1 HIS 43 HE1 HIS 43 -2.442 5.709 -3.269 338 H LEU 44 H LEU 44 -3.531 4.148 -11.195 339 HA LEU 44 HA LEU 44 -1.811 1.831 -11.710 340 1HB LEU 44 HB1 LEU 44 -4.439 2.701 -12.490 341 2HB LEU 44 HB2 LEU 44 -3.474 2.420 -13.958 342 HG LEU 44 HG LEU 44 -3.568 0.430 -11.638 343 1HD1 LEU 44 HD1 LEU 44 -5.214 0.423 -14.216 344 2HD1 LEU 44 HD1 LEU 44 -5.233 -0.820 -12.943 345 3HD1 LEU 44 HD1 LEU 44 -5.854 0.812 -12.603 346 1HD2 LEU 44 HD2 LEU 44 -2.797 -1.135 -13.430 347 2HD2 LEU 44 HD2 LEU 44 -2.757 0.221 -14.581 348 3HD2 LEU 44 HD2 LEU 44 -1.655 0.205 -13.185 349 H ASP 45 H ASP 45 -2.342 5.129 -13.018 350 HA ASP 45 HA ASP 45 -0.557 4.941 -15.228 351 1HB ASP 45 H ASP 45 -1.150 7.349 -13.450 352 2HB ASP 45 H ASP 45 -0.521 7.388 -15.111 353 H ILE 46 H ILE 46 -0.132 5.865 -11.816 354 HA ILE 46 HA ILE 46 1.833 6.497 -10.699 355 HB ILE 46 HB ILE 46 1.034 4.350 -9.980 356 1HG1 ILE 46 HG1 ILE 46 4.031 4.078 -10.165 357 2HG1 ILE 46 HG1 ILE 46 3.238 5.290 -9.137 358 1HG2 ILE 46 HG2 ILE 46 1.942 3.403 -12.528 359 2HG2 ILE 46 HG2 ILE 46 1.058 2.514 -11.280 360 3HG2 ILE 46 HG2 ILE 46 2.832 2.510 -11.278 361 1HD1 ILE 46 HD1 ILE 46 3.721 3.246 -7.852 362 2HD1 ILE 46 HD1 ILE 46 2.815 2.270 -9.028 363 3HD1 ILE 46 HD1 ILE 46 1.966 3.465 -8.017 364 H GLY 47 H GLY 47 3.718 3.945 -12.133 365 1HA GLY 47 HA2 GLY 47 5.121 4.859 -14.208 366 2HA GLY 47 HA1 GLY 47 5.783 5.866 -12.892 367 H LEU 48 H LEU 48 7.097 3.649 -14.460 368 HA LEU 48 HA LEU 48 7.215 1.249 -13.009 369 1HB LEU 48 HB2 LEU 48 8.198 1.674 -15.272 370 2HB LEU 48 HB1 LEU 48 9.489 2.631 -14.509 371 HG LEU 48 HG LEU 48 9.077 -0.066 -13.312 372 1HD1 LEU 48 HD1 LEU 48 10.126 0.251 -16.161 373 2HD1 LEU 48 HD1 LEU 48 10.234 -1.231 -15.181 374 3HD1 LEU 48 HD1 LEU 48 8.643 -0.609 -15.678 375 1HD2 LEU 48 HD2 LEU 48 10.962 1.436 -12.715 376 2HD2 LEU 48 HD2 LEU 48 11.553 -0.073 -13.443 377 3HD2 LEU 48 HD2 LEU 48 11.511 1.422 -14.406 378 H LYS 49 H LYS 49 9.041 4.304 -12.544 379 HA LYS 49 HA LYS 49 10.845 3.383 -10.577 380 1HB LYS 49 H LYS 49 10.888 5.571 -11.854 381 2HB LYS 49 H LYS 49 9.599 6.156 -10.777 382 1HG LYS 49 H LYS 49 11.068 5.738 -8.811 383 2HG LYS 49 H LYS 49 12.355 5.172 -9.904 384 1HD LYS 49 H LYS 49 12.299 7.410 -11.048 385 2HD LYS 49 H LYS 49 11.111 7.960 -9.841 386 1HE LYS 49 H LYS 49 12.754 7.446 -8.032 387 2HE LYS 49 H LYS 49 13.941 6.971 -9.267 388 1HZ LYS 49 H LYS 49 13.789 9.201 -10.148 389 2HZ LYS 49 H LYS 49 14.281 9.211 -8.575 390 3HZ LYS 49 H LYS 49 12.729 9.632 -8.956 391 H GLN 50 H GLN 50 7.613 4.965 -10.185 392 HA GLN 50 HA GLN 50 7.635 4.851 -7.324 393 1HB GLN 50 HB2 GLN 50 5.556 5.287 -9.461 394 2HB GLN 50 HB1 GLN 50 5.061 5.094 -7.764 395 1HG GLN 50 HG2 GLN 50 6.578 6.938 -7.116 396 2HG GLN 50 HG1 GLN 50 7.067 7.134 -8.814 397 1HE2 GLN 50 HE2 GLN 50 5.310 7.646 -10.405 398 2HE2 GLN 50 HE2 GLN 50 3.977 8.643 -9.870 399 H LYS 51 H LYS 51 5.984 2.733 -9.788 400 HA LYS 51 HA LYS 51 4.799 0.930 -7.991 401 1HB LYS 51 H LYS 51 4.284 0.860 -10.363 402 2HB LYS 51 H LYS 51 5.974 0.486 -10.772 403 1HG LYS 51 H LYS 51 5.819 -1.679 -9.635 404 2HG LYS 51 H LYS 51 4.183 -1.300 -9.054 405 1HD LYS 51 H LYS 51 4.644 -1.129 -12.019 406 2HD LYS 51 H LYS 51 4.660 -2.755 -11.296 407 1HE LYS 51 H LYS 51 2.452 -2.154 -10.163 408 2HE LYS 51 H LYS 51 2.417 -0.698 -11.183 409 1HZ LYS 51 H LYS 51 2.602 -3.441 -12.219 410 2HZ LYS 51 H LYS 51 1.186 -2.598 -12.083 411 3HZ LYS 51 H LYS 51 2.381 -2.062 -13.095 412 H GLN 52 H GLN 52 8.062 0.782 -9.515 413 HA GLN 52 HA GLN 52 8.914 -1.612 -8.275 414 1HB GLN 52 HB2 GLN 52 10.052 -0.513 -10.182 415 2HB GLN 52 HB1 GLN 52 10.553 0.820 -9.115 416 1HG GLN 52 HG1 GLN 52 11.843 -0.746 -7.724 417 2HG GLN 52 HG2 GLN 52 11.285 -2.115 -8.710 418 1HE2 GLN 52 HE2 GLN 52 11.800 -1.961 -11.118 419 2HE2 GLN 52 HE2 GLN 52 13.358 -1.298 -11.555 420 H TRP 53 H TRP 53 9.341 1.829 -7.240 421 HA TRP 53 HA TRP 53 10.827 1.347 -4.909 422 1HB TRP 53 HB2 TRP 53 10.586 3.583 -5.632 423 2HB TRP 53 HB1 TRP 53 8.822 3.469 -5.693 424 HD1 TRP 53 HD1 TRP 53 11.544 3.193 -2.993 425 HE1 TRP 53 HE1 TRP 53 10.739 4.290 -0.809 426 HE3 TRP 53 HE3 TRP 53 6.880 4.603 -4.512 427 HZ2 TRP 53 HZ2 TRP 53 8.359 5.573 0.139 428 HZ3 TRP 53 HZ3 TRP 53 5.355 5.731 -2.935 429 HH2 TRP 53 HH2 TRP 53 6.084 6.233 -0.614 430 H LEU 54 H LEU 54 7.233 1.558 -5.281 431 HA LEU 54 HA LEU 54 6.593 1.071 -2.583 432 1HB LEU 54 HB2 LEU 54 5.130 0.414 -5.166 433 2HB LEU 54 HB1 LEU 54 4.409 0.183 -3.561 434 HG LEU 54 HG LEU 54 5.536 2.849 -4.503 435 1HD1 LEU 54 HD1 LEU 54 3.252 3.505 -5.034 436 2HD1 LEU 54 HD1 LEU 54 2.635 1.923 -4.497 437 3HD1 LEU 54 HD1 LEU 54 3.650 2.035 -5.953 438 1HD2 LEU 54 HD2 LEU 54 3.929 3.649 -2.675 439 2HD2 LEU 54 HD2 LEU 54 3.778 1.945 -2.187 440 3HD2 LEU 54 HD2 LEU 54 5.356 2.762 -2.102 441 H MET 55 H MET 55 7.038 -1.186 -5.317 442 HA MET 55 HA MET 55 6.275 -3.527 -3.964 443 1HB MET 55 HB1 MET 55 6.587 -3.111 -6.464 444 2HB MET 55 HB2 MET 55 8.330 -3.337 -6.198 445 1HG MET 55 HG1 MET 55 7.881 -5.574 -5.236 446 2HG MET 55 HG2 MET 55 6.146 -5.337 -5.504 447 1HE MET 55 HE1 MET 55 5.984 -7.639 -6.722 448 2HE MET 55 HE2 MET 55 7.723 -7.894 -6.436 449 3HE MET 55 HE3 MET 55 7.043 -8.134 -8.063 450 H THR 56 H THR 56 9.632 -2.154 -4.411 451 HA THR 56 HA THR 56 10.482 -4.088 -2.303 452 HB THR 56 HB THR 56 11.269 -4.902 -4.408 453 HG1 THR 56 HG1 THR 56 13.536 -4.733 -4.011 454 1HG2 THR 56 HG2 THR 56 11.178 -2.988 -5.845 455 2HG2 THR 56 HG2 THR 56 12.294 -2.064 -4.814 456 3HG2 THR 56 HG2 THR 56 12.892 -3.447 -5.758 457 H GLU 57 H GLU 57 9.644 -1.673 -1.390 458 HA GLU 57 HA GLU 57 12.019 -0.862 -0.005 459 1HB GLU 57 H GLU 57 12.005 0.489 -2.302 460 2HB GLU 57 H GLU 57 10.846 1.501 -1.410 461 1HG GLU 57 H GLU 57 12.584 1.410 0.534 462 2HG GLU 57 H GLU 57 13.727 0.847 -0.702 463 H ALA 58 H ALA 58 8.760 0.372 -0.972 464 HA ALA 58 HA ALA 58 8.336 1.439 1.713 465 1HB ALA 58 HB1 ALA 58 6.307 1.175 -0.526 466 2HB ALA 58 HB2 ALA 58 6.323 2.340 0.815 467 3HB ALA 58 HB3 ALA 58 7.531 2.465 -0.485 468 H LEU 59 H LEU 59 6.510 -0.944 -0.319 469 HA LEU 59 HA LEU 59 4.893 -1.781 1.914 470 1HB LEU 59 HB2 LEU 59 5.322 -3.127 -0.782 471 2HB LEU 59 HB1 LEU 59 3.958 -3.379 0.322 472 HG LEU 59 HG LEU 59 4.632 -0.682 -0.948 473 1HD1 LEU 59 HD1 LEU 59 4.020 -2.335 -2.672 474 2HD1 LEU 59 HD1 LEU 59 2.567 -2.777 -1.745 475 3HD1 LEU 59 HD1 LEU 59 2.713 -1.149 -2.448 476 1HD2 LEU 59 HD2 LEU 59 2.145 -1.711 0.491 477 2HD2 LEU 59 HD2 LEU 59 3.323 -0.557 1.161 478 3HD2 LEU 59 HD2 LEU 59 2.331 -0.102 -0.242 479 H VAL 60 H VAL 60 8.121 -2.391 1.454 480 HA VAL 60 HA VAL 60 8.102 -5.262 2.006 481 HB VAL 60 HB VAL 60 10.387 -3.238 2.059 482 1HG1 VAL 60 HG1 VAL 60 10.963 -5.322 3.207 483 2HG1 VAL 60 HG1 VAL 60 10.293 -6.283 1.866 484 3HG1 VAL 60 HG1 VAL 60 11.755 -5.302 1.612 485 1HG2 VAL 60 HG2 VAL 60 9.274 -3.270 -0.136 486 2HG2 VAL 60 HG2 VAL 60 9.350 -5.047 -0.165 487 3HG2 VAL 60 HG2 VAL 60 10.849 -4.089 -0.226 488 H ASN 61 H ASN 61 8.979 -2.239 3.769 489 HA ASN 61 HA ASN 61 8.768 -3.770 6.335 490 1HB ASN 61 HB1 ASN 61 10.444 -2.126 7.211 491 2HB ASN 61 HB2 ASN 61 11.081 -3.152 5.908 492 1HD2 ASN 61 HD2 ASN 61 11.348 -2.246 3.768 493 2HD2 ASN 61 HD2 ASN 61 11.374 -0.516 3.496 494 H ASN 62 H ASN 62 6.537 -2.533 4.979 495 HA ASN 62 HA ASN 62 6.069 0.086 6.103 496 1HB ASN 62 HB2 ASN 62 5.071 -0.907 3.986 497 2HB ASN 62 HB1 ASN 62 4.039 -1.884 5.038 498 1HD2 ASN 62 HD2 ASN 62 4.769 1.356 3.845 499 2HD2 ASN 62 HD2 ASN 62 3.334 2.137 4.474 500 HA PRO 63 HA PRO 63 4.877 -1.372 10.135 501 1HB PRO 63 HB2 PRO 63 3.389 0.958 10.825 502 2HB PRO 63 HB1 PRO 63 5.103 0.622 11.197 503 1HG PRO 63 HG2 PRO 63 3.965 2.463 9.204 504 2HG PRO 63 HG1 PRO 63 5.648 2.336 9.789 505 1HD PRO 63 HD1 PRO 63 4.622 1.459 7.271 506 2HD PRO 63 HD2 PRO 63 6.255 1.160 7.938 507 H LYS 64 H LYS 64 2.588 -0.293 7.664 508 HA LYS 64 HA LYS 64 0.383 -1.666 9.148 509 1HB LYS 64 H LYS 64 0.550 0.987 8.064 510 2HB LYS 64 H LYS 64 -0.611 0.070 7.079 511 1HG LYS 64 H LYS 64 -1.870 1.012 8.878 512 2HG LYS 64 H LYS 64 -1.675 -0.714 9.251 513 1HD LYS 64 H LYS 64 0.546 0.248 10.482 514 2HD LYS 64 H LYS 64 -0.487 1.690 10.591 515 1HE LYS 64 H LYS 64 -0.940 0.432 12.567 516 2HE LYS 64 H LYS 64 -2.322 0.142 11.487 517 1HZ LYS 64 H LYS 64 -0.016 -1.650 11.860 518 2HZ LYS 64 H LYS 64 -1.535 -1.883 12.474 519 3HZ LYS 64 H LYS 64 -1.285 -1.929 10.841 520 H ILE 65 H ILE 65 2.536 -2.426 6.831 521 HA ILE 65 HA ILE 65 0.521 -4.069 5.410 522 HB ILE 65 HB ILE 65 2.176 -1.914 4.204 523 1HG1 ILE 65 HG1 ILE 65 0.359 -2.734 2.313 524 2HG1 ILE 65 HG1 ILE 65 -0.452 -3.228 3.807 525 1HG2 ILE 65 HG2 ILE 65 3.506 -3.852 3.453 526 2HG2 ILE 65 HG2 ILE 65 2.599 -3.146 2.104 527 3HG2 ILE 65 HG2 ILE 65 2.025 -4.644 2.861 528 1HD1 ILE 65 HD1 ILE 65 -0.047 -0.903 4.711 529 2HD1 ILE 65 HD1 ILE 65 -1.122 -0.955 3.296 530 3HD1 ILE 65 HD1 ILE 65 0.575 -0.451 3.108 531 H GLU 66 H GLU 66 1.364 -6.042 4.565 532 HA GLU 66 HA GLU 66 4.159 -6.692 5.300 533 1HB GLU 66 H GLU 66 2.420 -7.261 7.165 534 2HB GLU 66 H GLU 66 1.890 -8.551 6.067 535 1HG GLU 66 H GLU 66 4.013 -9.624 6.131 536 2HG GLU 66 H GLU 66 4.817 -8.181 6.788 537 H VAL 67 H VAL 67 4.976 -8.541 4.135 538 HA VAL 67 HA VAL 67 3.559 -8.896 1.555 539 HB VAL 67 HB VAL 67 6.394 -9.712 2.301 540 1HG1 VAL 67 HG1 VAL 67 6.741 -9.599 -0.124 541 2HG1 VAL 67 HG1 VAL 67 5.370 -10.677 0.222 542 3HG1 VAL 67 HG1 VAL 67 5.076 -9.023 -0.365 543 1HG2 VAL 67 HG2 VAL 67 6.329 -7.366 2.747 544 2HG2 VAL 67 HG2 VAL 67 5.248 -7.057 1.370 545 3HG2 VAL 67 HG2 VAL 67 6.947 -7.500 1.085 546 H ILE 68 H ILE 68 2.411 -10.691 1.188 547 HA ILE 68 HA ILE 68 3.314 -13.263 2.381 548 HB ILE 68 HB ILE 68 0.534 -12.023 2.600 549 1HG1 ILE 68 HG1 ILE 68 1.196 -13.223 5.010 550 2HG1 ILE 68 HG1 ILE 68 2.773 -12.630 4.454 551 1HG2 ILE 68 HG2 ILE 68 1.412 -14.921 2.977 552 2HG2 ILE 68 HG2 ILE 68 0.219 -14.305 1.807 553 3HG2 ILE 68 HG2 ILE 68 -0.142 -14.264 3.546 554 1HD1 ILE 68 HD1 ILE 68 0.214 -11.001 4.759 555 2HD1 ILE 68 HD1 ILE 68 1.732 -10.374 4.077 556 3HD1 ILE 68 HD1 ILE 68 1.669 -10.893 5.776 557 H ASP 69 H ASP 69 3.146 -14.955 0.974 558 HA ASP 69 HA ASP 69 2.886 -16.058 -1.011 559 1HB ASP 69 H ASP 69 0.513 -15.948 -0.247 560 2HB ASP 69 H ASP 69 0.304 -14.440 -1.159 561 H GLY 70 H GLY 70 4.272 -13.381 -0.961 562 1HA GLY 70 HA1 GLY 70 5.451 -12.232 -2.596 563 2HA GLY 70 HA2 GLY 70 4.508 -13.062 -3.853 564 H LYS 71 H LYS 71 1.960 -12.183 -2.249 565 HA LYS 71 HA LYS 71 1.664 -9.625 -3.673 566 1HB LYS 71 H LYS 71 -0.512 -10.761 -1.960 567 2HB LYS 71 H LYS 71 -0.609 -9.963 -3.526 568 1HG LYS 71 H LYS 71 0.333 -12.817 -3.016 569 2HG LYS 71 H LYS 71 -1.192 -12.321 -3.771 570 1HD LYS 71 H LYS 71 0.280 -11.082 -5.515 571 2HD LYS 71 H LYS 71 1.626 -12.052 -4.886 572 1HE LYS 71 H LYS 71 -0.990 -13.160 -5.995 573 2HE LYS 71 H LYS 71 0.571 -13.140 -6.842 574 1HZ LYS 71 H LYS 71 0.375 -15.230 -5.904 575 2HZ LYS 71 H LYS 71 -0.166 -14.668 -4.448 576 3HZ LYS 71 H LYS 71 1.410 -14.436 -4.890 577 H TYR 72 H TYR 72 -0.145 -8.273 -1.940 578 HA TYR 72 HA TYR 72 1.542 -7.807 0.479 579 1HB TYR 72 HB1 TYR 72 0.487 -5.720 -1.457 580 2HB TYR 72 HB2 TYR 72 1.299 -5.376 0.084 581 HD1 TYR 72 HD1 TYR 72 3.695 -5.677 0.344 582 HD2 TYR 72 HD2 TYR 72 1.745 -6.722 -3.350 583 HE1 TYR 72 HE1 TYR 72 5.909 -5.912 -0.760 584 HE2 TYR 72 HE2 TYR 72 3.958 -6.967 -4.448 585 HH TYR 72 HH TYR 72 6.234 -7.004 -4.142 586 H ALA 73 H ALA 73 0.456 -7.749 2.290 587 HA ALA 73 HA ALA 73 -2.510 -7.377 2.215 588 1HB ALA 73 HB1 ALA 73 -1.670 -9.652 2.873 589 2HB ALA 73 HB2 ALA 73 -2.540 -8.832 4.188 590 3HB ALA 73 HB3 ALA 73 -0.760 -8.896 4.198 591 H PHE 74 H PHE 74 -3.384 -6.492 4.314 592 HA PHE 74 HA PHE 74 -1.700 -4.240 5.209 593 1HB PHE 74 HB2 PHE 74 -3.848 -3.550 4.574 594 2HB PHE 74 HB1 PHE 74 -4.639 -4.907 5.375 595 HD1 PHE 74 HD1 PHE 74 -4.884 -4.928 7.840 596 HD2 PHE 74 HD2 PHE 74 -3.223 -1.542 5.783 597 HE1 PHE 74 HE1 PHE 74 -5.296 -3.528 9.834 598 HE2 PHE 74 HE2 PHE 74 -3.604 -0.144 7.801 599 HZ PHE 74 HZ PHE 74 -4.656 -1.143 9.822 600 H LYS 75 H LYS 75 -0.687 -4.223 7.117 601 HA LYS 75 HA LYS 75 -0.873 -6.567 8.850 602 1HB LYS 75 H LYS 75 1.280 -5.471 8.193 603 2HB LYS 75 H LYS 75 0.783 -4.025 9.092 604 1HG LYS 75 H LYS 75 1.123 -5.018 11.152 605 2HG LYS 75 H LYS 75 0.660 -6.631 10.567 606 1HD LYS 75 H LYS 75 3.071 -6.559 11.093 607 2HD LYS 75 H LYS 75 2.808 -6.828 9.358 608 1HE LYS 75 H LYS 75 2.892 -4.026 9.620 609 2HE LYS 75 H LYS 75 4.150 -4.603 10.726 610 1HZ LYS 75 H LYS 75 3.895 -5.282 7.873 611 2HZ LYS 75 H LYS 75 5.048 -5.881 8.896 612 3HZ LYS 75 H LYS 75 5.012 -4.267 8.543 613 HA PRO 76 HA PRO 76 -4.062 -4.534 11.260 614 1HB PRO 76 HB2 PRO 76 -3.711 -6.433 13.412 615 2HB PRO 76 HB1 PRO 76 -5.038 -6.324 12.223 616 1HG PRO 76 HG2 PRO 76 -2.890 -8.265 12.331 617 2HG PRO 76 HG1 PRO 76 -4.225 -8.161 11.149 618 1HD PRO 76 HD1 PRO 76 -1.436 -7.514 10.756 619 2HD PRO 76 HD2 PRO 76 -2.773 -7.408 9.573 620 H LYS 77 H LYS 77 -1.317 -5.925 13.181 621 HA LYS 77 HA LYS 77 -0.378 -3.301 13.930 622 1HB LYS 77 H LYS 77 -0.798 -3.579 16.398 623 2HB LYS 77 H LYS 77 -2.258 -3.270 15.437 624 1HG LYS 77 H LYS 77 -2.693 -5.759 15.409 625 2HG LYS 77 H LYS 77 -1.320 -5.962 16.523 626 1HD LYS 77 H LYS 77 -2.422 -4.452 18.152 627 2HD LYS 77 H LYS 77 -3.800 -4.263 17.039 628 1HE LYS 77 H LYS 77 -4.196 -6.720 17.138 629 2HE LYS 77 H LYS 77 -2.845 -6.882 18.283 630 1HZ LYS 77 H LYS 77 -4.037 -5.468 19.793 631 2HZ LYS 77 H LYS 77 -5.288 -5.309 18.730 632 3HZ LYS 77 H LYS 77 -4.954 -6.780 19.394 633 H TYR 78 H TYR 78 -0.453 -6.811 14.756 634 HA TYR 78 HA TYR 78 2.498 -6.814 14.656 635 1HB TYR 78 HB2 TYR 78 0.855 -7.674 17.068 636 2HB TYR 78 HB1 TYR 78 2.548 -8.127 16.815 637 HD1 TYR 78 HD1 TYR 78 4.250 -6.176 16.471 638 HD2 TYR 78 HD2 TYR 78 0.333 -5.675 18.192 639 HE1 TYR 78 HE1 TYR 78 4.983 -4.049 17.526 640 HE2 TYR 78 HE2 TYR 78 1.067 -3.550 19.243 641 HH TYR 78 HH TYR 78 2.788 -2.071 19.547 642 H ASN 79 H ASN 79 -0.222 -8.956 15.697 643 HA ASN 79 HA ASN 79 -0.795 -11.081 15.091 644 1HB ASN 79 HB2 ASN 79 -1.291 -9.990 12.939 645 2HB ASN 79 HB1 ASN 79 0.387 -10.230 12.412 646 1HD2 ASN 79 HD2 ASN 79 -2.262 -12.212 13.887 647 2HD2 ASN 79 HD2 ASN 79 -2.042 -13.589 12.831 648 H VAL 80 H VAL 80 0.785 -11.871 16.638 649 HA VAL 80 HA VAL 80 3.470 -12.489 15.972 650 HB VAL 80 HB VAL 80 2.495 -12.373 18.281 651 1HG1 VAL 80 HG1 VAL 80 1.233 -14.253 19.174 652 2HG1 VAL 80 HG1 VAL 80 1.373 -15.140 17.640 653 3HG1 VAL 80 HG1 VAL 80 0.392 -13.657 17.724 654 1HG2 VAL 80 HG2 VAL 80 4.671 -13.532 17.761 655 2HG2 VAL 80 HG2 VAL 80 3.779 -15.069 17.658 656 3HG2 VAL 80 HG2 VAL 80 3.842 -14.178 19.195 657 H ARG 81 H ARG 81 4.471 -14.439 15.356 658 HA ARG 81 HA ARG 81 2.683 -16.419 14.005 659 1HB ARG 81 H ARG 81 5.349 -15.202 13.203 660 2HB ARG 81 H ARG 81 4.779 -16.746 12.529 661 1HG ARG 81 H ARG 81 2.746 -15.683 11.683 662 2HG ARG 81 H ARG 81 3.191 -14.140 12.449 663 1HD ARG 81 H ARG 81 5.153 -15.435 10.565 664 2HD ARG 81 H ARG 81 3.737 -14.622 9.875 665 HE ARG 81 H ARG 81 5.964 -13.366 11.376 666 1HH1 ARG 81 H ARG 81 2.667 -12.948 10.169 667 2HH1 ARG 81 H ARG 81 2.923 -11.304 9.615 668 1HH2 ARG 81 H ARG 81 6.221 -11.116 10.883 669 2HH2 ARG 81 H ARG 81 4.904 -10.218 10.148 Start of MODEL 7 1 1H ALA 1 H1 ALA 1 17.873 27.264 -7.386 2 2H ALA 1 H2 ALA 1 16.559 26.679 -8.192 3 3H ALA 1 H3 ALA 1 16.929 26.104 -6.691 4 HA ALA 1 HA ALA 1 16.482 28.199 -5.685 5 1HB ALA 1 HB1 ALA 1 15.525 30.015 -7.044 6 2HB ALA 1 HB2 ALA 1 15.711 29.029 -8.514 7 3HB ALA 1 HB3 ALA 1 17.151 29.585 -7.625 8 H LEU 2 H LEU 2 14.201 29.007 -5.277 9 HA LEU 2 HA LEU 2 12.011 28.544 -4.826 10 1HB LEU 2 HB1 LEU 2 12.185 28.510 -7.529 11 2HB LEU 2 HB2 LEU 2 11.674 26.828 -7.265 12 HG LEU 2 HG LEU 2 9.876 27.933 -5.658 13 1HD1 LEU 2 HD1 LEU 2 10.547 30.227 -7.558 14 2HD1 LEU 2 HD1 LEU 2 9.185 30.179 -6.413 15 3HD1 LEU 2 HD1 LEU 2 10.857 30.218 -5.806 16 1HD2 LEU 2 HD2 LEU 2 9.344 26.703 -7.727 17 2HD2 LEU 2 HD2 LEU 2 9.736 28.143 -8.699 18 3HD2 LEU 2 HD2 LEU 2 8.336 28.164 -7.598 19 H SER 3 H SER 3 10.512 26.101 -5.539 20 HA SER 3 HA SER 3 12.007 23.822 -4.552 21 1HB SER 3 HB1 SER 3 11.583 25.164 -2.450 22 2HB SER 3 HB2 SER 3 9.838 24.995 -2.755 23 HG SER 3 HG SER 3 10.654 23.365 -1.360 24 H GLY 4 H GLY 4 10.105 22.109 -3.844 25 1HA GLY 4 HA1 GLY 4 7.644 22.324 -5.346 26 2HA GLY 4 HA2 GLY 4 8.841 21.294 -6.168 27 H SER 5 H SER 5 7.537 21.861 -2.849 28 HA SER 5 HA SER 5 8.096 19.133 -2.027 29 1HB SER 5 HB1 SER 5 6.413 21.306 -0.707 30 2HB SER 5 HB2 SER 5 7.049 19.836 0.072 31 HG SER 5 HG SER 5 9.157 20.612 -0.441 32 H SER 6 H SER 6 6.825 18.360 -4.068 33 HA SER 6 HA SER 6 3.942 18.454 -3.972 34 1HB SER 6 HB2 SER 6 5.316 18.058 -6.034 35 2HB SER 6 HB1 SER 6 5.774 16.467 -5.381 36 HG SER 6 HG SER 6 3.418 16.119 -5.208 37 H GLY 7 H GLY 7 6.433 16.435 -2.498 38 1HA GLY 7 HA1 GLY 7 6.264 14.850 -0.840 39 2HA GLY 7 HA2 GLY 7 4.527 15.206 -0.722 40 H TYR 8 H TYR 8 6.252 14.186 -3.696 41 HA TYR 8 HA TYR 8 4.346 12.133 -4.240 42 1HB TYR 8 HB1 TYR 8 5.510 11.787 -6.194 43 2HB TYR 8 HB2 TYR 8 5.973 13.450 -5.816 44 HD1 TYR 8 HD1 TYR 8 8.177 13.412 -4.047 45 HD2 TYR 8 HD2 TYR 8 7.215 10.544 -7.117 46 HE1 TYR 8 HE1 TYR 8 10.569 12.765 -4.199 47 HE2 TYR 8 HE2 TYR 8 9.606 9.902 -7.264 48 HH TYR 8 HH TYR 8 12.131 11.482 -5.279 49 H LYS 9 H LYS 9 4.968 9.779 -4.540 50 HA LYS 9 HA LYS 9 5.661 7.765 -3.670 51 1HB LYS 9 H LYS 9 7.591 9.207 -1.793 52 2HB LYS 9 H LYS 9 7.587 7.505 -2.266 53 1HG LYS 9 H LYS 9 8.129 8.092 -4.545 54 2HG LYS 9 H LYS 9 8.039 9.810 -4.139 55 1HD LYS 9 H LYS 9 10.402 8.980 -4.187 56 2HD LYS 9 H LYS 9 9.928 9.612 -2.594 57 1HE LYS 9 H LYS 9 9.600 7.375 -1.724 58 2HE LYS 9 H LYS 9 9.788 6.662 -3.340 59 1HZ LYS 9 H LYS 9 11.760 6.449 -2.003 60 2HZ LYS 9 H LYS 9 12.055 7.384 -3.330 61 3HZ LYS 9 H LYS 9 11.880 8.087 -1.848 62 H PHE 10 H PHE 10 5.960 10.174 -1.054 63 HA PHE 10 HA PHE 10 4.932 8.444 0.868 64 1HB PHE 10 HB2 PHE 10 4.887 11.470 0.977 65 2HB PHE 10 HB1 PHE 10 5.005 10.340 2.338 66 HD1 PHE 10 HD1 PHE 10 6.853 12.503 0.262 67 HD2 PHE 10 HD2 PHE 10 7.087 8.628 2.132 68 HE1 PHE 10 HE1 PHE 10 9.330 12.566 0.090 69 HE2 PHE 10 HE2 PHE 10 9.563 8.695 1.957 70 HZ PHE 10 HZ PHE 10 10.685 10.665 0.939 71 H GLY 11 H GLY 11 3.361 11.103 -0.988 72 1HA GLY 11 HA1 GLY 11 0.828 10.998 0.270 73 2HA GLY 11 HA2 GLY 11 1.140 11.545 -1.393 74 H VAL 12 H VAL 12 2.037 9.300 -2.675 75 HA VAL 12 HA VAL 12 -0.343 7.876 -3.245 76 HB VAL 12 HB VAL 12 2.604 7.479 -3.871 77 1HG1 VAL 12 HG1 VAL 12 1.741 5.681 -5.500 78 2HG1 VAL 12 HG1 VAL 12 1.846 5.211 -3.791 79 3HG1 VAL 12 HG1 VAL 12 0.273 5.631 -4.503 80 1HG2 VAL 12 HG2 VAL 12 1.820 7.998 -6.149 81 2HG2 VAL 12 HG2 VAL 12 1.277 9.263 -5.021 82 3HG2 VAL 12 HG2 VAL 12 0.130 8.023 -5.588 83 H LEU 13 H LEU 13 2.547 6.950 -1.292 84 HA LEU 13 HA LEU 13 1.691 4.338 -0.639 85 1HB LEU 13 HB2 LEU 13 3.979 5.119 -0.307 86 2HB LEU 13 HB1 LEU 13 3.434 6.319 0.884 87 HG LEU 13 HG LEU 13 2.612 4.453 2.346 88 1HD1 LEU 13 HD1 LEU 13 2.172 2.709 0.724 89 2HD1 LEU 13 HD1 LEU 13 3.490 2.134 1.766 90 3HD1 LEU 13 HD1 LEU 13 3.851 2.752 0.138 91 1HD2 LEU 13 HD2 LEU 13 4.885 5.411 2.629 92 2HD2 LEU 13 HD2 LEU 13 4.850 3.682 3.041 93 3HD2 LEU 13 HD2 LEU 13 5.527 4.210 1.484 94 H ALA 14 H ALA 14 1.150 7.478 1.051 95 HA ALA 14 HA ALA 14 -0.177 6.412 3.319 96 1HB ALA 14 HB1 ALA 14 0.679 8.721 3.169 97 2HB ALA 14 HB2 ALA 14 -0.537 9.100 1.926 98 3HB ALA 14 HB3 ALA 14 -1.051 8.711 3.584 99 H LYS 15 H LYS 15 -1.442 7.470 0.106 100 HA LYS 15 HA LYS 15 -4.195 7.116 0.774 101 1HB LYS 15 H LYS 15 -3.452 8.462 -1.132 102 2HB LYS 15 H LYS 15 -2.737 7.026 -1.903 103 1HG LYS 15 H LYS 15 -4.848 6.049 -2.326 104 2HG LYS 15 H LYS 15 -5.670 7.079 -1.128 105 1HD LYS 15 H LYS 15 -5.621 8.974 -2.531 106 2HD LYS 15 H LYS 15 -4.291 8.326 -3.517 107 1HE LYS 15 H LYS 15 -6.423 8.221 -4.754 108 2HE LYS 15 H LYS 15 -5.795 6.592 -4.432 109 1HZ LYS 15 H LYS 15 -7.881 7.955 -2.876 110 2HZ LYS 15 H LYS 15 -7.306 6.435 -2.596 111 3HZ LYS 15 H LYS 15 -8.132 6.759 -3.985 112 H ILE 16 H ILE 16 -1.726 4.967 -0.721 113 HA ILE 16 HA ILE 16 -3.449 2.769 -1.227 114 HB ILE 16 HB ILE 16 -0.467 3.044 -0.731 115 1HG1 ILE 16 HG1 ILE 16 -1.949 2.172 -3.242 116 2HG1 ILE 16 HG1 ILE 16 -1.689 3.890 -2.863 117 1HG2 ILE 16 HG2 ILE 16 -0.980 0.814 0.039 118 2HG2 ILE 16 HG2 ILE 16 -2.101 0.540 -1.314 119 3HG2 ILE 16 HG2 ILE 16 -0.352 0.650 -1.612 120 1HD1 ILE 16 HD1 ILE 16 0.784 3.399 -2.674 121 2HD1 ILE 16 HD1 ILE 16 0.452 1.751 -3.254 122 3HD1 ILE 16 HD1 ILE 16 0.121 3.145 -4.303 123 H VAL 17 H VAL 17 -1.415 3.590 1.615 124 HA VAL 17 HA VAL 17 -1.978 1.284 3.148 125 HB VAL 17 HB VAL 17 -1.134 4.125 3.786 126 1HG1 VAL 17 HG1 VAL 17 -1.723 1.861 5.738 127 2HG1 VAL 17 HG1 VAL 17 -2.397 3.509 5.747 128 3HG1 VAL 17 HG1 VAL 17 -0.682 3.250 6.131 129 1HG2 VAL 17 HG2 VAL 17 0.437 2.452 2.724 130 2HG2 VAL 17 HG2 VAL 17 0.244 1.433 4.168 131 3HG2 VAL 17 HG2 VAL 17 0.980 3.046 4.309 132 H ASN 18 H ASN 18 -3.624 4.496 3.048 133 HA ASN 18 HA ASN 18 -5.536 3.903 5.073 134 1HB ASN 18 HB1 ASN 18 -5.055 6.175 4.258 135 2HB ASN 18 HB2 ASN 18 -5.713 5.761 2.660 136 1HD2 ASN 18 HD2 ASN 18 -7.965 5.621 2.359 137 2HD2 ASN 18 HD2 ASN 18 -9.111 6.121 3.583 138 H TYR 19 H TYR 19 -5.637 3.504 1.490 139 HA TYR 19 HA TYR 19 -8.322 2.606 1.336 140 1HB TYR 19 HB1 TYR 19 -7.633 2.983 -0.777 141 2HB TYR 19 HB2 TYR 19 -5.934 2.711 -0.371 142 HD1 TYR 19 HD1 TYR 19 -9.095 0.680 -0.746 143 HD2 TYR 19 HD2 TYR 19 -4.856 0.968 -1.419 144 HE1 TYR 19 HE1 TYR 19 -9.117 -1.508 -1.916 145 HE2 TYR 19 HE2 TYR 19 -4.898 -1.207 -2.587 146 HH TYR 19 HH TYR 19 -6.185 -2.942 -3.348 147 H MET 20 H MET 20 -5.277 0.616 1.346 148 HA MET 20 HA MET 20 -6.541 -1.895 1.526 149 1HB MET 20 HB2 MET 20 -3.846 -0.841 2.462 150 2HB MET 20 HB1 MET 20 -4.314 -2.535 2.693 151 1HG MET 20 HG1 MET 20 -4.324 -1.106 0.023 152 2HG MET 20 HG2 MET 20 -3.005 -2.127 0.599 153 1HE MET 20 HE1 MET 20 -3.027 -4.640 0.834 154 2HE MET 20 HE2 MET 20 -4.433 -5.699 0.575 155 3HE MET 20 HE3 MET 20 -4.390 -4.608 1.977 156 H LYS 21 H LYS 21 -5.697 0.459 4.086 157 HA LYS 21 HA LYS 21 -6.273 -1.209 6.303 158 1HB LYS 21 H LYS 21 -5.096 0.972 6.417 159 2HB LYS 21 H LYS 21 -6.603 1.805 6.010 160 1HG LYS 21 H LYS 21 -6.655 -0.119 8.318 161 2HG LYS 21 H LYS 21 -5.809 1.426 8.550 162 1HD LYS 21 H LYS 21 -8.109 2.304 7.345 163 2HD LYS 21 H LYS 21 -8.723 0.879 8.214 164 1HE LYS 21 H LYS 21 -7.017 3.058 9.483 165 2HE LYS 21 H LYS 21 -8.793 3.028 9.542 166 1HZ LYS 21 H LYS 21 -7.017 0.937 10.593 167 2HZ LYS 21 H LYS 21 -7.820 2.061 11.494 168 3HZ LYS 21 H LYS 21 -8.667 0.918 10.654 169 H THR 22 H THR 22 -8.373 1.005 4.363 170 HA THR 22 HA THR 22 -10.744 0.589 5.870 171 HB THR 22 HB THR 22 -10.463 1.145 2.882 172 HG1 THR 22 HG1 THR 22 -10.500 2.841 5.157 173 1HG2 THR 22 HG2 THR 22 -12.689 1.676 4.901 174 2HG2 THR 22 HG2 THR 22 -12.752 0.546 3.527 175 3HG2 THR 22 HG2 THR 22 -12.660 2.297 3.234 176 H ARG 23 H ARG 23 -9.397 -1.187 3.017 177 HA ARG 23 HA ARG 23 -11.556 -2.985 2.652 178 1HB ARG 23 H ARG 23 -8.569 -3.499 2.274 179 2HB ARG 23 H ARG 23 -9.879 -4.446 1.558 180 1HG ARG 23 H ARG 23 -9.172 -1.552 0.974 181 2HG ARG 23 H ARG 23 -9.068 -2.934 -0.127 182 1HD ARG 23 H ARG 23 -11.608 -1.716 1.028 183 2HD ARG 23 H ARG 23 -11.052 -1.603 -0.640 184 HE ARG 23 H ARG 23 -12.251 -3.967 0.689 185 1HH1 ARG 23 H ARG 23 -11.021 -2.448 -2.297 186 2HH1 ARG 23 H ARG 23 -11.177 -3.912 -3.241 187 1HH2 ARG 23 H ARG 23 -12.774 -5.734 -0.656 188 2HH2 ARG 23 H ARG 23 -12.321 -5.728 -2.351 189 H HIS 24 H HIS 24 -8.557 -3.375 4.590 190 HA HIS 24 HA HIS 24 -9.242 -5.894 5.694 191 1HB HIS 24 HB1 HIS 24 -6.984 -4.928 5.630 192 2HB HIS 24 HB2 HIS 24 -7.486 -3.646 6.743 193 HD1 HIS 24 HD1 HIS 24 -6.165 -7.117 6.640 194 HD2 HIS 24 HD2 HIS 24 -8.037 -4.628 9.427 195 HE1 HIS 24 HE1 HIS 24 -5.804 -8.129 8.948 196 H GLN 25 H GLN 25 -10.041 -2.561 6.676 197 HA GLN 25 HA GLN 25 -10.941 -3.226 9.303 198 1HB GLN 25 HB2 GLN 25 -10.305 -0.929 8.336 199 2HB GLN 25 HB1 GLN 25 -11.926 -0.903 7.611 200 1HG GLN 25 HG2 GLN 25 -12.160 0.216 9.693 201 2HG GLN 25 HG1 GLN 25 -12.806 -1.410 9.978 202 1HE2 GLN 25 HE2 GLN 25 -11.912 -2.660 11.582 203 2HE2 GLN 25 HE2 GLN 25 -10.484 -2.221 12.491 204 H ARG 26 H ARG 26 -12.714 -2.840 6.153 205 HA ARG 26 HA ARG 26 -15.266 -3.305 7.411 206 1HB ARG 26 H ARG 26 -16.188 -3.309 5.185 207 2HB ARG 26 H ARG 26 -14.983 -2.011 5.307 208 1HG ARG 26 H ARG 26 -13.329 -3.383 4.143 209 2HG ARG 26 H ARG 26 -14.442 -4.764 4.102 210 1HD ARG 26 H ARG 26 -14.896 -2.056 2.779 211 2HD ARG 26 H ARG 26 -14.424 -3.545 1.940 212 HE ARG 26 H ARG 26 -17.083 -2.794 2.833 213 1HH1 ARG 26 H ARG 26 -14.963 -5.463 1.847 214 2HH1 ARG 26 H ARG 26 -16.250 -6.649 1.829 215 1HH2 ARG 26 H ARG 26 -18.786 -4.350 2.702 216 2HH2 ARG 26 H ARG 26 -18.442 -5.983 2.183 217 H GLY 27 H GLY 27 -12.795 -5.471 6.008 218 1HA GLY 27 HA2 GLY 27 -13.390 -7.744 7.300 219 2HA GLY 27 HA1 GLY 27 -14.687 -7.745 6.089 220 H ASP 28 H ASP 28 -12.647 -6.284 4.199 221 HA ASP 28 HA ASP 28 -11.709 -8.759 2.964 222 1HB ASP 28 H ASP 28 -11.221 -5.864 2.191 223 2HB ASP 28 H ASP 28 -10.975 -7.283 1.162 224 H THR 29 H THR 29 -10.424 -9.129 5.121 225 HA THR 29 HA THR 29 -7.950 -7.616 5.397 226 HB THR 29 HB THR 29 -7.482 -9.161 7.209 227 HG1 THR 29 HG1 THR 29 -8.885 -10.964 7.502 228 1HG2 THR 29 HG2 THR 29 -9.458 -8.868 8.586 229 2HG2 THR 29 HG2 THR 29 -9.262 -7.434 7.558 230 3HG2 THR 29 HG2 THR 29 -10.485 -8.656 7.151 231 H HIS 30 H HIS 30 -8.973 -9.904 3.150 232 HA HIS 30 HA HIS 30 -6.764 -11.678 3.016 233 1HB HIS 30 HB1 HIS 30 -7.793 -12.489 1.105 234 2HB HIS 30 HB2 HIS 30 -9.158 -11.717 1.923 235 HD1 HIS 30 HD1 HIS 30 -8.865 -8.775 1.120 236 HD2 HIS 30 HD2 HIS 30 -8.199 -11.933 -1.548 237 HE1 HIS 30 HE1 HIS 30 -9.140 -7.871 -1.242 238 HA PRO 31 HA PRO 31 -3.624 -9.243 1.091 239 1HB PRO 31 HB2 PRO 31 -2.583 -11.234 -0.652 240 2HB PRO 31 HB1 PRO 31 -2.042 -10.890 1.011 241 1HG PRO 31 HG1 PRO 31 -3.595 -13.163 0.003 242 2HG PRO 31 HG2 PRO 31 -2.860 -12.935 1.614 243 1HD PRO 31 HD1 PRO 31 -5.637 -12.729 0.897 244 2HD PRO 31 HD2 PRO 31 -4.890 -12.421 2.491 245 H LEU 32 H LEU 32 -3.026 -8.193 -0.897 246 HA LEU 32 HA LEU 32 -4.641 -8.854 -3.306 247 1HB LEU 32 HB2 LEU 32 -4.473 -6.218 -1.827 248 2HB LEU 32 HB1 LEU 32 -4.650 -6.228 -3.591 249 HG LEU 32 HG LEU 32 -6.555 -7.477 -1.559 250 1HD1 LEU 32 HD1 LEU 32 -6.667 -5.003 -1.873 251 2HD1 LEU 32 HD1 LEU 32 -8.129 -5.818 -2.475 252 3HD1 LEU 32 HD1 LEU 32 -6.889 -5.251 -3.625 253 1HD2 LEU 32 HD2 LEU 32 -7.948 -7.791 -3.755 254 2HD2 LEU 32 HD2 LEU 32 -6.680 -8.980 -3.392 255 3HD2 LEU 32 HD2 LEU 32 -6.378 -7.690 -4.576 256 H THR 33 H THR 33 -3.518 -8.510 -5.252 257 HA THR 33 HA THR 33 -0.636 -8.403 -5.048 258 HB THR 33 HB THR 33 -0.703 -8.480 -7.513 259 HG1 THR 33 HG1 THR 33 -3.520 -8.278 -7.212 260 1HG2 THR 33 HG2 THR 33 -1.910 -10.596 -7.763 261 2HG2 THR 33 HG2 THR 33 -1.071 -10.566 -6.195 262 3HG2 THR 33 HG2 THR 33 -2.826 -10.283 -6.273 263 H LEU 34 H LEU 34 0.664 -6.841 -6.423 264 HA LEU 34 HA LEU 34 0.331 -4.189 -5.527 265 1HB LEU 34 HB2 LEU 34 2.364 -5.563 -6.614 266 2HB LEU 34 HB1 LEU 34 1.780 -4.803 -8.106 267 HG LEU 34 HG LEU 34 3.496 -3.380 -7.206 268 1HD1 LEU 34 HD1 LEU 34 0.923 -2.069 -6.294 269 2HD1 LEU 34 HD1 LEU 34 2.374 -1.299 -6.972 270 3HD1 LEU 34 HD1 LEU 34 1.336 -2.300 -8.011 271 1HD2 LEU 34 HD2 LEU 34 3.477 -2.496 -4.926 272 2HD2 LEU 34 HD2 LEU 34 3.475 -4.271 -4.893 273 3HD2 LEU 34 HD2 LEU 34 1.977 -3.375 -4.566 274 H ASP 35 H ASP 35 -0.473 -5.716 -8.696 275 HA ASP 35 HA ASP 35 -1.404 -3.419 -10.020 276 1HB ASP 35 H ASP 35 -0.971 -5.688 -11.010 277 2HB ASP 35 H ASP 35 -2.483 -6.256 -10.270 278 H GLU 36 H GLU 36 -3.301 -5.844 -8.108 279 HA GLU 36 HA GLU 36 -5.829 -4.625 -8.333 280 1HB GLU 36 H GLU 36 -4.542 -6.315 -6.169 281 2HB GLU 36 H GLU 36 -6.246 -5.808 -6.104 282 1HG GLU 36 H GLU 36 -6.739 -6.924 -8.195 283 2HG GLU 36 H GLU 36 -5.020 -7.255 -8.491 284 H ILE 37 H ILE 37 -3.114 -3.903 -6.118 285 HA ILE 37 HA ILE 37 -4.639 -2.127 -4.454 286 HB ILE 37 HB ILE 37 -1.698 -2.705 -4.896 287 1HG1 ILE 37 HG1 ILE 37 -3.290 -2.778 -2.321 288 2HG1 ILE 37 HG1 ILE 37 -3.409 -4.105 -3.495 289 1HG2 ILE 37 HG2 ILE 37 -1.662 -0.331 -4.491 290 2HG2 ILE 37 HG2 ILE 37 -2.916 -0.461 -3.238 291 3HG2 ILE 37 HG2 ILE 37 -1.290 -1.114 -2.943 292 1HD1 ILE 37 HD1 ILE 37 -1.693 -4.632 -1.837 293 2HD1 ILE 37 HD1 ILE 37 -0.922 -4.355 -3.415 294 3HD1 ILE 37 HD1 ILE 37 -0.859 -3.096 -2.161 295 H LEU 38 H LEU 38 -2.283 -1.516 -7.154 296 HA LEU 38 HA LEU 38 -2.496 1.303 -7.099 297 1HB LEU 38 HB2 LEU 38 -2.049 -0.546 -9.474 298 2HB LEU 38 HB1 LEU 38 -1.788 1.199 -9.467 299 HG LEU 38 HG LEU 38 -0.312 -0.811 -7.760 300 1HD1 LEU 38 HD1 LEU 38 0.306 -0.837 -10.154 301 2HD1 LEU 38 HD1 LEU 38 1.619 -0.154 -9.167 302 3HD1 LEU 38 HD1 LEU 38 0.558 0.927 -10.105 303 1HD2 LEU 38 HD2 LEU 38 1.160 1.160 -7.203 304 2HD2 LEU 38 HD2 LEU 38 -0.481 1.303 -6.534 305 3HD2 LEU 38 HD2 LEU 38 -0.028 2.213 -7.994 306 H ASP 39 H ASP 39 -4.434 -1.149 -8.870 307 HA ASP 39 HA ASP 39 -5.961 0.545 -10.470 308 1HB ASP 39 H ASP 39 -5.997 -1.893 -10.645 309 2HB ASP 39 H ASP 39 -6.770 -2.023 -9.051 310 H GLU 40 H GLU 40 -6.876 -0.667 -7.174 311 HA GLU 40 HA GLU 40 -9.263 0.833 -7.014 312 1HB GLU 40 H GLU 40 -8.420 -1.106 -5.528 313 2HB GLU 40 H GLU 40 -7.524 0.136 -4.628 314 1HG GLU 40 H GLU 40 -9.396 0.900 -3.604 315 2HG GLU 40 H GLU 40 -10.288 0.983 -5.130 316 H THR 41 H THR 41 -5.901 1.670 -6.056 317 HA THR 41 HA THR 41 -6.734 4.272 -4.988 318 HB THR 41 HB THR 41 -4.276 4.580 -4.704 319 HG1 THR 41 HG1 THR 41 -4.145 1.897 -5.604 320 1HG2 THR 41 HG2 THR 41 -5.042 3.736 -2.732 321 2HG2 THR 41 HG2 THR 41 -5.916 2.403 -3.526 322 3HG2 THR 41 HG2 THR 41 -4.166 2.279 -3.254 323 H GLN 42 H GLN 42 -6.723 3.232 -8.095 324 HA GLN 42 HA GLN 42 -6.728 4.323 -10.095 325 1HB GLN 42 HB2 GLN 42 -7.945 6.123 -9.148 326 2HB GLN 42 HB1 GLN 42 -6.551 6.748 -8.264 327 1HG GLN 42 HG1 GLN 42 -6.464 6.615 -11.277 328 2HG GLN 42 HG2 GLN 42 -7.343 7.925 -10.475 329 1HE2 GLN 42 HE2 GLN 42 -5.321 8.739 -12.030 330 2HE2 GLN 42 HE2 GLN 42 -3.940 9.241 -11.081 331 H HIS 43 H HIS 43 -3.976 4.321 -8.043 332 HA HIS 43 HA HIS 43 -2.181 5.755 -9.813 333 1HB HIS 43 HB2 HIS 43 -1.437 3.781 -7.639 334 2HB HIS 43 HB1 HIS 43 -0.500 5.160 -8.229 335 HD1 HIS 43 HD1 HIS 43 -2.914 7.291 -8.047 336 HD2 HIS 43 HD2 HIS 43 -1.706 4.652 -5.034 337 HE1 HIS 43 HE1 HIS 43 -3.683 8.237 -5.813 338 H LEU 44 H LEU 44 -3.636 3.575 -11.221 339 HA LEU 44 HA LEU 44 -1.896 1.298 -11.465 340 1HB LEU 44 HB1 LEU 44 -4.451 1.972 -12.329 341 2HB LEU 44 HB2 LEU 44 -3.511 1.900 -13.838 342 HG LEU 44 HG LEU 44 -3.455 -0.276 -11.685 343 1HD1 LEU 44 HD1 LEU 44 -4.986 -0.204 -14.330 344 2HD1 LEU 44 HD1 LEU 44 -5.720 -0.024 -12.720 345 3HD1 LEU 44 HD1 LEU 44 -4.939 -1.556 -13.174 346 1HD2 LEU 44 HD2 LEU 44 -2.534 -1.613 -13.638 347 2HD2 LEU 44 HD2 LEU 44 -1.468 -0.306 -13.080 348 3HD2 LEU 44 HD2 LEU 44 -2.434 -0.094 -14.559 349 H ASP 45 H ASP 45 -2.336 4.273 -13.436 350 HA ASP 45 HA ASP 45 0.010 3.584 -15.064 351 1HB ASP 45 H ASP 45 -2.092 4.655 -15.978 352 2HB ASP 45 H ASP 45 -1.687 6.114 -15.049 353 H ILE 46 H ILE 46 0.522 3.848 -12.232 354 HA ILE 46 HA ILE 46 1.604 6.457 -11.675 355 HB ILE 46 HB ILE 46 0.831 4.913 -9.928 356 1HG1 ILE 46 HG1 ILE 46 3.762 5.682 -9.820 357 2HG1 ILE 46 HG1 ILE 46 2.377 6.664 -9.298 358 1HG2 ILE 46 HG2 ILE 46 3.347 3.313 -10.489 359 2HG2 ILE 46 HG2 ILE 46 2.033 2.911 -9.362 360 3HG2 ILE 46 HG2 ILE 46 1.752 2.845 -11.113 361 1HD1 ILE 46 HD1 ILE 46 3.486 4.126 -8.053 362 2HD1 ILE 46 HD1 ILE 46 1.832 4.690 -7.706 363 3HD1 ILE 46 HD1 ILE 46 3.225 5.716 -7.296 364 H GLY 47 H GLY 47 3.771 7.117 -11.649 365 1HA GLY 47 HA2 GLY 47 5.414 6.285 -13.776 366 2HA GLY 47 HA1 GLY 47 5.955 7.218 -12.362 367 H LEU 48 H LEU 48 7.032 4.775 -13.993 368 HA LEU 48 HA LEU 48 7.016 2.466 -12.403 369 1HB LEU 48 HB2 LEU 48 7.872 2.670 -14.748 370 2HB LEU 48 HB1 LEU 48 9.300 3.529 -14.126 371 HG LEU 48 HG LEU 48 8.732 0.967 -12.732 372 1HD1 LEU 48 HD1 LEU 48 8.019 0.322 -15.000 373 2HD1 LEU 48 HD1 LEU 48 9.526 0.985 -15.678 374 3HD1 LEU 48 HD1 LEU 48 9.580 -0.433 -14.603 375 1HD2 LEU 48 HD2 LEU 48 11.164 0.692 -13.045 376 2HD2 LEU 48 HD2 LEU 48 10.808 2.327 -12.443 377 3HD2 LEU 48 HD2 LEU 48 11.192 2.078 -14.162 378 H LYS 49 H LYS 49 8.893 5.467 -12.078 379 HA LYS 49 HA LYS 49 10.920 4.627 -10.336 380 1HB LYS 49 H LYS 49 10.598 6.902 -11.417 381 2HB LYS 49 H LYS 49 9.376 7.250 -10.171 382 1HG LYS 49 H LYS 49 11.052 6.928 -8.399 383 2HG LYS 49 H LYS 49 12.274 6.467 -9.609 384 1HD LYS 49 H LYS 49 11.931 8.739 -10.693 385 2HD LYS 49 H LYS 49 10.915 9.183 -9.301 386 1HE LYS 49 H LYS 49 13.804 8.219 -9.093 387 2HE LYS 49 H LYS 49 13.320 9.928 -9.100 388 1HZ LYS 49 H LYS 49 13.625 9.032 -6.888 389 2HZ LYS 49 H LYS 49 12.078 9.559 -7.122 390 3HZ LYS 49 H LYS 49 12.414 7.941 -7.136 391 H GLN 50 H GLN 50 7.486 5.417 -9.676 392 HA GLN 50 HA GLN 50 7.849 5.026 -6.786 393 1HB GLN 50 HB2 GLN 50 5.437 5.654 -8.523 394 2HB GLN 50 HB1 GLN 50 5.385 5.493 -6.752 395 1HG GLN 50 HG2 GLN 50 7.096 7.295 -6.559 396 2HG GLN 50 HG1 GLN 50 7.080 7.484 -8.324 397 1HE2 GLN 50 HE2 GLN 50 4.818 7.869 -9.299 398 2HE2 GLN 50 HE2 GLN 50 3.777 8.970 -8.424 399 H LYS 51 H LYS 51 6.218 3.388 -9.566 400 HA LYS 51 HA LYS 51 4.962 1.294 -8.214 401 1HB LYS 51 H LYS 51 4.945 1.887 -10.710 402 2HB LYS 51 H LYS 51 6.462 0.980 -10.842 403 1HG LYS 51 H LYS 51 5.411 -1.064 -10.120 404 2HG LYS 51 H LYS 51 3.932 -0.207 -9.632 405 1HD LYS 51 H LYS 51 4.971 -0.337 -12.505 406 2HD LYS 51 H LYS 51 3.722 -1.417 -11.839 407 1HE LYS 51 H LYS 51 2.549 0.832 -11.132 408 2HE LYS 51 H LYS 51 3.581 1.559 -12.377 409 1HZ LYS 51 H LYS 51 1.422 0.900 -13.205 410 2HZ LYS 51 H LYS 51 1.725 -0.676 -12.811 411 3HZ LYS 51 H LYS 51 2.637 0.073 -13.963 412 H GLN 52 H GLN 52 8.359 1.429 -9.416 413 HA GLN 52 HA GLN 52 9.068 -1.172 -8.471 414 1HB GLN 52 HB2 GLN 52 10.269 0.176 -10.238 415 2HB GLN 52 HB1 GLN 52 10.866 1.246 -8.950 416 1HG GLN 52 HG2 GLN 52 12.578 -0.413 -9.435 417 2HG GLN 52 HG1 GLN 52 11.899 -0.757 -7.832 418 1HE2 GLN 52 HE2 GLN 52 11.536 -1.627 -11.311 419 2HE2 GLN 52 HE2 GLN 52 11.090 -3.295 -11.026 420 H TRP 53 H TRP 53 9.572 2.139 -7.123 421 HA TRP 53 HA TRP 53 10.987 1.482 -4.811 422 1HB TRP 53 HB2 TRP 53 10.702 3.757 -5.393 423 2HB TRP 53 HB1 TRP 53 8.944 3.611 -5.457 424 HD1 TRP 53 HD1 TRP 53 11.742 3.448 -2.825 425 HE1 TRP 53 HE1 TRP 53 10.898 4.415 -0.593 426 HE3 TRP 53 HE3 TRP 53 6.886 4.359 -4.143 427 HZ2 TRP 53 HZ2 TRP 53 8.445 5.424 0.465 428 HZ3 TRP 53 HZ3 TRP 53 5.313 5.311 -2.481 429 HH2 TRP 53 HH2 TRP 53 6.088 5.856 -0.182 430 H LEU 54 H LEU 54 7.418 1.480 -5.318 431 HA LEU 54 HA LEU 54 6.660 0.894 -2.675 432 1HB LEU 54 HB2 LEU 54 5.440 0.278 -5.384 433 2HB LEU 54 HB1 LEU 54 4.644 -0.221 -3.875 434 HG LEU 54 HG LEU 54 5.540 2.648 -4.315 435 1HD1 LEU 54 HD1 LEU 54 2.865 1.389 -5.059 436 2HD1 LEU 54 HD1 LEU 54 3.221 3.133 -5.066 437 3HD1 LEU 54 HD1 LEU 54 4.064 2.049 -6.197 438 1HD2 LEU 54 HD2 LEU 54 3.437 1.302 -2.561 439 2HD2 LEU 54 HD2 LEU 54 4.962 2.034 -2.014 440 3HD2 LEU 54 HD2 LEU 54 3.676 3.061 -2.682 441 H MET 55 H MET 55 7.700 -1.255 -5.334 442 HA MET 55 HA MET 55 7.127 -3.663 -3.770 443 1HB MET 55 HB1 MET 55 8.377 -3.176 -6.505 444 2HB MET 55 HB2 MET 55 8.057 -4.785 -5.820 445 1HG MET 55 HG1 MET 55 5.683 -4.343 -5.717 446 2HG MET 55 HG2 MET 55 5.924 -2.649 -6.168 447 1HE MET 55 HE1 MET 55 6.431 -6.285 -8.988 448 2HE MET 55 HE2 MET 55 7.644 -5.893 -7.750 449 3HE MET 55 HE3 MET 55 5.996 -6.360 -7.264 450 H THR 56 H THR 56 9.815 -1.473 -3.857 451 HA THR 56 HA THR 56 11.573 -3.670 -2.847 452 HB THR 56 HB THR 56 13.461 -2.697 -4.149 453 HG1 THR 56 HG1 THR 56 11.392 -1.198 -5.391 454 1HG2 THR 56 HG2 THR 56 11.080 -3.446 -5.901 455 2HG2 THR 56 HG2 THR 56 12.804 -3.625 -6.302 456 3HG2 THR 56 HG2 THR 56 12.084 -4.616 -5.011 457 H GLU 57 H GLU 57 10.049 -1.198 -1.601 458 HA GLU 57 HA GLU 57 12.262 -0.581 0.185 459 1HB GLU 57 H GLU 57 12.571 0.993 -1.799 460 2HB GLU 57 H GLU 57 11.040 1.746 -1.310 461 1HG GLU 57 H GLU 57 11.982 2.194 0.946 462 2HG GLU 57 H GLU 57 13.514 1.447 0.447 463 H ALA 58 H ALA 58 8.967 0.496 -0.871 464 HA ALA 58 HA ALA 58 8.357 1.347 1.856 465 1HB ALA 58 HB1 ALA 58 7.536 2.564 -0.135 466 2HB ALA 58 HB2 ALA 58 6.207 2.011 0.909 467 3HB ALA 58 HB3 ALA 58 6.577 1.145 -0.595 468 H LEU 59 H LEU 59 6.374 -0.771 -0.289 469 HA LEU 59 HA LEU 59 4.912 -1.896 1.828 470 1HB LEU 59 HB2 LEU 59 5.497 -3.160 -0.875 471 2HB LEU 59 HB1 LEU 59 4.123 -3.509 0.193 472 HG LEU 59 HG LEU 59 4.693 -0.852 -1.202 473 1HD1 LEU 59 HD1 LEU 59 2.649 -1.359 -2.445 474 2HD1 LEU 59 HD1 LEU 59 2.418 -2.856 -1.511 475 3HD1 LEU 59 HD1 LEU 59 3.798 -2.704 -2.623 476 1HD2 LEU 59 HD2 LEU 59 2.584 -1.695 0.819 477 2HD2 LEU 59 HD2 LEU 59 3.694 -0.307 0.910 478 3HD2 LEU 59 HD2 LEU 59 2.363 -0.306 -0.270 479 H VAL 60 H VAL 60 8.040 -2.883 0.484 480 HA VAL 60 HA VAL 60 8.118 -5.535 1.441 481 HB VAL 60 HB VAL 60 10.631 -5.193 1.379 482 1HG1 VAL 60 HG1 VAL 60 9.045 -4.196 -1.027 483 2HG1 VAL 60 HG1 VAL 60 9.291 -5.905 -0.594 484 3HG1 VAL 60 HG1 VAL 60 10.680 -4.897 -1.062 485 1HG2 VAL 60 HG2 VAL 60 11.503 -3.086 0.558 486 2HG2 VAL 60 HG2 VAL 60 9.865 -2.415 0.417 487 3HG2 VAL 60 HG2 VAL 60 10.545 -2.764 2.019 488 H ASN 61 H ASN 61 8.277 -2.512 3.250 489 HA ASN 61 HA ASN 61 8.596 -4.103 5.724 490 1HB ASN 61 HB1 ASN 61 10.349 -2.543 6.574 491 2HB ASN 61 HB2 ASN 61 10.894 -3.510 5.189 492 1HD2 ASN 61 HD2 ASN 61 12.242 -2.291 3.968 493 2HD2 ASN 61 HD2 ASN 61 11.900 -0.666 3.412 494 H ASN 62 H ASN 62 6.428 -2.505 4.320 495 HA ASN 62 HA ASN 62 6.103 -0.060 5.796 496 1HB ASN 62 HB1 ASN 62 5.047 -0.541 3.599 497 2HB ASN 62 HB2 ASN 62 4.032 -1.764 4.384 498 1HD2 ASN 62 HD2 ASN 62 4.685 1.682 3.993 499 2HD2 ASN 62 HD2 ASN 62 3.217 2.256 4.754 500 HA PRO 63 HA PRO 63 5.007 -2.006 9.633 501 1HB PRO 63 HB1 PRO 63 3.732 0.348 10.674 502 2HB PRO 63 HB2 PRO 63 5.385 -0.241 10.999 503 1HG PRO 63 HG2 PRO 63 4.533 2.005 9.326 504 2HG PRO 63 HG1 PRO 63 6.186 1.539 9.819 505 1HD PRO 63 HD1 PRO 63 4.989 1.230 7.239 506 2HD PRO 63 HD2 PRO 63 6.577 0.609 7.781 507 H LYS 64 H LYS 64 2.679 -0.351 7.525 508 HA LYS 64 HA LYS 64 0.436 -1.670 8.982 509 1HB LYS 64 H LYS 64 0.795 0.938 7.733 510 2HB LYS 64 H LYS 64 -0.586 0.083 7.015 511 1HG LYS 64 H LYS 64 -1.473 1.263 8.898 512 2HG LYS 64 H LYS 64 -1.357 -0.438 9.400 513 1HD LYS 64 H LYS 64 -0.417 0.678 11.238 514 2HD LYS 64 H LYS 64 1.028 0.265 10.288 515 1HE LYS 64 H LYS 64 0.914 2.542 9.225 516 2HE LYS 64 H LYS 64 -0.451 2.934 10.292 517 1HZ LYS 64 H LYS 64 1.620 3.730 11.163 518 2HZ LYS 64 H LYS 64 0.994 2.575 12.160 519 3HZ LYS 64 H LYS 64 2.259 2.209 11.168 520 H ILE 65 H ILE 65 2.473 -2.484 6.494 521 HA ILE 65 HA ILE 65 0.346 -4.131 5.273 522 HB ILE 65 HB ILE 65 2.178 -2.349 3.619 523 1HG1 ILE 65 HG1 ILE 65 -0.831 -2.396 4.106 524 2HG1 ILE 65 HG1 ILE 65 0.299 -1.074 4.464 525 1HG2 ILE 65 HG2 ILE 65 1.148 -3.399 1.676 526 2HG2 ILE 65 HG2 ILE 65 1.824 -4.677 2.702 527 3HG2 ILE 65 HG2 ILE 65 0.073 -4.362 2.717 528 1HD1 ILE 65 HD1 ILE 65 -0.569 -2.089 1.732 529 2HD1 ILE 65 HD1 ILE 65 0.788 -0.961 1.972 530 3HD1 ILE 65 HD1 ILE 65 -0.857 -0.489 2.443 531 H GLU 66 H GLU 66 1.016 -6.122 5.604 532 HA GLU 66 HA GLU 66 3.912 -6.730 5.659 533 1HB GLU 66 H GLU 66 2.370 -7.421 7.531 534 2HB GLU 66 H GLU 66 1.479 -8.435 6.377 535 1HG GLU 66 H GLU 66 3.150 -9.723 7.711 536 2HG GLU 66 H GLU 66 3.474 -9.794 5.971 537 H VAL 67 H VAL 67 4.719 -8.613 4.472 538 HA VAL 67 HA VAL 67 3.289 -8.963 1.873 539 HB VAL 67 HB VAL 67 6.178 -9.637 2.563 540 1HG1 VAL 67 HG1 VAL 67 4.710 -9.128 -0.068 541 2HG1 VAL 67 HG1 VAL 67 5.245 -10.715 0.535 542 3HG1 VAL 67 HG1 VAL 67 6.447 -9.479 0.098 543 1HG2 VAL 67 HG2 VAL 67 4.901 -7.060 1.579 544 2HG2 VAL 67 HG2 VAL 67 5.991 -7.283 2.966 545 3HG2 VAL 67 HG2 VAL 67 6.619 -7.433 1.309 546 H ILE 68 H ILE 68 2.716 -11.014 1.134 547 HA ILE 68 HA ILE 68 3.334 -13.292 2.969 548 HB ILE 68 HB ILE 68 0.647 -12.816 1.602 549 1HG1 ILE 68 HG1 ILE 68 1.558 -12.250 4.462 550 2HG1 ILE 68 HG1 ILE 68 0.975 -11.064 3.273 551 1HG2 ILE 68 HG2 ILE 68 1.337 -14.651 3.935 552 2HG2 ILE 68 HG2 ILE 68 -0.107 -14.686 2.895 553 3HG2 ILE 68 HG2 ILE 68 1.464 -15.201 2.251 554 1HD1 ILE 68 HD1 ILE 68 -1.223 -12.320 3.213 555 2HD1 ILE 68 HD1 ILE 68 -0.855 -11.550 4.773 556 3HD1 ILE 68 HD1 ILE 68 -0.630 -13.302 4.575 557 H ASP 69 H ASP 69 1.220 -14.091 0.389 558 HA ASP 69 HA ASP 69 3.335 -15.597 -0.933 559 1HB ASP 69 H ASP 69 1.102 -16.556 -0.552 560 2HB ASP 69 H ASP 69 0.359 -15.255 -1.504 561 H GLY 70 H GLY 70 4.349 -13.238 -1.292 562 1HA GLY 70 HA2 GLY 70 5.178 -11.915 -3.007 563 2HA GLY 70 HA1 GLY 70 4.052 -12.692 -4.141 564 H LYS 71 H LYS 71 1.639 -12.150 -2.573 565 HA LYS 71 HA LYS 71 1.124 -9.458 -3.511 566 1HB LYS 71 H LYS 71 -0.814 -10.880 -1.727 567 2HB LYS 71 H LYS 71 -1.101 -9.976 -3.220 568 1HG LYS 71 H LYS 71 0.084 -11.905 -4.445 569 2HG LYS 71 H LYS 71 -0.055 -12.809 -2.917 570 1HD LYS 71 H LYS 71 -2.484 -12.577 -2.937 571 2HD LYS 71 H LYS 71 -2.404 -11.550 -4.388 572 1HE LYS 71 H LYS 71 -2.997 -13.873 -4.989 573 2HE LYS 71 H LYS 71 -1.419 -13.425 -5.670 574 1HZ LYS 71 H LYS 71 -1.441 -15.612 -4.646 575 2HZ LYS 71 H LYS 71 -0.357 -14.610 -3.915 576 3HZ LYS 71 H LYS 71 -1.796 -14.946 -3.182 577 H TYR 72 H TYR 72 -0.342 -8.104 -1.809 578 HA TYR 72 HA TYR 72 1.307 -7.890 0.679 579 1HB TYR 72 HB1 TYR 72 0.159 -5.667 -1.041 580 2HB TYR 72 HB2 TYR 72 1.080 -5.458 0.455 581 HD1 TYR 72 HD1 TYR 72 3.486 -5.751 0.508 582 HD2 TYR 72 HD2 TYR 72 1.269 -6.478 -3.108 583 HE1 TYR 72 HE1 TYR 72 5.610 -5.811 -0.781 584 HE2 TYR 72 HE2 TYR 72 3.392 -6.549 -4.395 585 HH TYR 72 HH TYR 72 6.583 -6.102 -2.834 586 H ALA 73 H ALA 73 0.229 -7.732 2.552 587 HA ALA 73 HA ALA 73 -2.745 -7.408 2.452 588 1HB ALA 73 HB1 ALA 73 -1.033 -9.218 4.210 589 2HB ALA 73 HB2 ALA 73 -2.798 -9.014 4.349 590 3HB ALA 73 HB3 ALA 73 -2.098 -9.749 2.890 591 H PHE 74 H PHE 74 -3.580 -5.924 3.892 592 HA PHE 74 HA PHE 74 -1.818 -4.082 5.146 593 1HB PHE 74 HB2 PHE 74 -3.949 -3.302 4.563 594 2HB PHE 74 HB1 PHE 74 -4.771 -4.639 5.357 595 HD1 PHE 74 HD1 PHE 74 -4.976 -4.684 7.831 596 HD2 PHE 74 HD2 PHE 74 -3.231 -1.331 5.787 597 HE1 PHE 74 HE1 PHE 74 -5.312 -3.293 9.850 598 HE2 PHE 74 HE2 PHE 74 -3.540 0.060 7.823 599 HZ PHE 74 HZ PHE 74 -4.605 -0.919 9.846 600 H LYS 75 H LYS 75 -0.735 -4.183 6.988 601 HA LYS 75 HA LYS 75 -1.079 -6.471 8.776 602 1HB LYS 75 H LYS 75 1.129 -5.396 7.896 603 2HB LYS 75 H LYS 75 0.834 -4.144 9.120 604 1HG LYS 75 H LYS 75 0.763 -5.876 10.886 605 2HG LYS 75 H LYS 75 1.026 -7.140 9.658 606 1HD LYS 75 H LYS 75 3.155 -5.778 9.012 607 2HD LYS 75 H LYS 75 2.938 -4.962 10.578 608 1HE LYS 75 H LYS 75 3.175 -7.980 10.173 609 2HE LYS 75 H LYS 75 4.488 -6.915 10.720 610 1HZ LYS 75 H LYS 75 3.143 -6.347 12.617 611 2HZ LYS 75 H LYS 75 3.408 -7.974 12.550 612 3HZ LYS 75 H LYS 75 1.942 -7.359 12.114 613 HA PRO 76 HA PRO 76 -3.890 -4.208 11.397 614 1HB PRO 76 HB1 PRO 76 -2.944 -5.758 13.698 615 2HB PRO 76 HB2 PRO 76 -4.546 -5.760 12.915 616 1HG PRO 76 HG2 PRO 76 -2.551 -7.787 12.720 617 2HG PRO 76 HG1 PRO 76 -4.042 -7.657 11.746 618 1HD PRO 76 HD2 PRO 76 -1.281 -7.180 10.926 619 2HD PRO 76 HD1 PRO 76 -2.763 -7.206 9.922 620 H LYS 77 H LYS 77 -3.726 -2.416 12.706 621 HA LYS 77 HA LYS 77 -1.169 -1.178 12.939 622 1HB LYS 77 H LYS 77 -3.339 0.012 12.644 623 2HB LYS 77 H LYS 77 -3.814 -0.490 14.279 624 1HG LYS 77 H LYS 77 -1.477 0.630 14.942 625 2HG LYS 77 H LYS 77 -1.705 1.488 13.410 626 1HD LYS 77 H LYS 77 -2.653 2.845 15.185 627 2HD LYS 77 H LYS 77 -3.986 2.207 14.200 628 1HE LYS 77 H LYS 77 -4.307 2.108 16.743 629 2HE LYS 77 H LYS 77 -4.578 0.587 15.873 630 1HZ LYS 77 H LYS 77 -2.548 -0.228 16.597 631 2HZ LYS 77 H LYS 77 -1.999 1.251 17.102 632 3HZ LYS 77 H LYS 77 -3.207 0.486 17.932 633 H TYR 78 H TYR 78 0.335 -2.145 14.244 634 HA TYR 78 HA TYR 78 -0.391 -2.440 17.129 635 1HB TYR 78 HB2 TYR 78 1.593 -4.015 15.444 636 2HB TYR 78 HB1 TYR 78 1.463 -4.126 17.206 637 HD1 TYR 78 HD1 TYR 78 0.909 -6.094 14.614 638 HD2 TYR 78 HD2 TYR 78 -1.463 -4.176 17.658 639 HE1 TYR 78 HE1 TYR 78 -0.814 -7.866 14.396 640 HE2 TYR 78 HE2 TYR 78 -3.189 -5.938 17.425 641 HH TYR 78 HH TYR 78 -2.823 -8.673 15.144 642 H ASN 79 H ASN 79 0.286 -0.529 17.971 643 HA ASN 79 HA ASN 79 3.159 0.036 17.901 644 1HB ASN 79 HB1 ASN 79 2.937 2.305 17.059 645 2HB ASN 79 HB2 ASN 79 2.273 1.182 15.858 646 1HD2 ASN 79 HD2 ASN 79 1.760 4.154 16.844 647 2HD2 ASN 79 HD2 ASN 79 0.013 4.241 16.867 648 H VAL 80 H VAL 80 1.660 -0.887 20.012 649 HA VAL 80 HA VAL 80 0.515 1.208 21.604 650 HB VAL 80 HB VAL 80 0.032 -1.250 21.834 651 1HG1 VAL 80 HG1 VAL 80 2.737 -1.360 23.242 652 2HG1 VAL 80 HG1 VAL 80 1.596 -2.699 22.993 653 3HG1 VAL 80 HG1 VAL 80 2.444 -1.985 21.603 654 1HG2 VAL 80 HG2 VAL 80 -0.459 0.410 23.646 655 2HG2 VAL 80 HG2 VAL 80 1.126 0.047 24.368 656 3HG2 VAL 80 HG2 VAL 80 -0.118 -1.220 24.271 657 H ARG 81 H ARG 81 1.393 2.408 23.297 658 HA ARG 81 HA ARG 81 2.986 3.610 24.398 659 1HB ARG 81 H ARG 81 3.414 1.244 25.289 660 2HB ARG 81 H ARG 81 4.778 1.165 24.156 661 1HG ARG 81 H ARG 81 5.193 3.625 25.359 662 2HG ARG 81 H ARG 81 4.493 2.683 26.696 663 1HD ARG 81 H ARG 81 6.916 2.416 26.722 664 2HD ARG 81 H ARG 81 6.173 0.874 26.236 665 HE ARG 81 H ARG 81 6.715 2.380 23.887 666 1HH1 ARG 81 H ARG 81 8.446 0.747 26.515 667 2HH1 ARG 81 H ARG 81 9.846 0.373 25.539 668 1HH2 ARG 81 H ARG 81 8.552 1.876 22.607 669 2HH2 ARG 81 H ARG 81 9.912 1.026 23.307 Start of MODEL 8 1 1H ALA 1 H1 ALA 1 -10.478 15.404 4.993 2 2H ALA 1 H2 ALA 1 -9.827 13.910 5.253 3 3H ALA 1 H3 ALA 1 -8.840 15.214 5.049 4 HA ALA 1 HA ALA 1 -10.615 14.048 3.028 5 1HB ALA 1 HB1 ALA 1 -9.612 15.674 1.479 6 2HB ALA 1 HB2 ALA 1 -8.645 16.363 2.806 7 3HB ALA 1 HB3 ALA 1 -10.419 16.511 2.827 8 H LEU 2 H LEU 2 -9.254 13.355 1.076 9 HA LEU 2 HA LEU 2 -6.510 12.528 1.730 10 1HB LEU 2 HB1 LEU 2 -7.175 10.105 1.006 11 2HB LEU 2 HB2 LEU 2 -7.499 10.624 2.670 12 HG LEU 2 HG LEU 2 -9.866 11.143 2.040 13 1HD1 LEU 2 HD1 LEU 2 -8.969 10.021 -0.650 14 2HD1 LEU 2 HD1 LEU 2 -9.683 11.618 -0.328 15 3HD1 LEU 2 HD1 LEU 2 -10.674 10.155 -0.162 16 1HD2 LEU 2 HD2 LEU 2 -9.249 8.939 2.973 17 2HD2 LEU 2 HD2 LEU 2 -10.587 8.793 1.811 18 3HD2 LEU 2 HD2 LEU 2 -8.938 8.329 1.331 19 H SER 3 H SER 3 -7.869 14.353 -0.173 20 HA SER 3 HA SER 3 -6.506 13.461 -2.581 21 1HB SER 3 HB2 SER 3 -8.634 13.641 -3.977 22 2HB SER 3 HB1 SER 3 -8.522 12.197 -2.945 23 HG SER 3 HG SER 3 -10.561 13.341 -2.839 24 H GLY 4 H GLY 4 -5.861 15.588 -1.062 25 1HA GLY 4 HA1 GLY 4 -6.315 17.817 -2.861 26 2HA GLY 4 HA2 GLY 4 -7.131 18.023 -1.295 27 H SER 5 H SER 5 -3.978 16.521 -2.207 28 HA SER 5 HA SER 5 -2.411 18.674 -1.088 29 1HB SER 5 HB2 SER 5 -3.289 17.571 1.003 30 2HB SER 5 HB1 SER 5 -2.506 16.060 0.482 31 HG SER 5 HG SER 5 -1.171 17.279 1.878 32 H SER 6 H SER 6 -0.062 18.114 -1.164 33 HA SER 6 HA SER 6 0.450 16.336 -3.468 34 1HB SER 6 HB2 SER 6 1.325 18.729 -3.274 35 2HB SER 6 HB1 SER 6 2.397 18.142 -1.979 36 HG SER 6 HG SER 6 2.298 17.306 -4.692 37 H GLY 7 H GLY 7 3.103 15.628 -2.953 38 1HA GLY 7 HA2 GLY 7 4.256 14.606 -0.901 39 2HA GLY 7 HA1 GLY 7 2.760 13.661 -0.730 40 H TYR 8 H TYR 8 5.506 14.359 -2.922 41 HA TYR 8 HA TYR 8 4.955 12.376 -4.868 42 1HB TYR 8 HB2 TYR 8 6.590 14.122 -5.243 43 2HB TYR 8 HB1 TYR 8 7.549 13.594 -3.851 44 HD1 TYR 8 HD1 TYR 8 9.591 12.733 -4.555 45 HD2 TYR 8 HD2 TYR 8 6.040 11.767 -6.797 46 HE1 TYR 8 HE1 TYR 8 10.925 11.247 -6.031 47 HE2 TYR 8 HE2 TYR 8 7.377 10.283 -8.270 48 HH TYR 8 HH TYR 8 9.442 9.408 -8.720 49 H LYS 9 H LYS 9 4.827 10.228 -4.651 50 HA LYS 9 HA LYS 9 5.269 8.070 -4.011 51 1HB LYS 9 H LYS 9 7.489 8.946 -2.140 52 2HB LYS 9 H LYS 9 7.301 7.429 -3.026 53 1HG LYS 9 H LYS 9 7.441 8.955 -5.137 54 2HG LYS 9 H LYS 9 8.217 10.082 -4.014 55 1HD LYS 9 H LYS 9 9.086 7.215 -4.580 56 2HD LYS 9 H LYS 9 9.926 8.689 -5.113 57 1HE LYS 9 H LYS 9 9.527 7.732 -2.243 58 2HE LYS 9 H LYS 9 11.056 7.828 -3.139 59 1HZ LYS 9 H LYS 9 10.717 10.222 -3.251 60 2HZ LYS 9 H LYS 9 9.372 10.086 -2.305 61 3HZ LYS 9 H LYS 9 10.851 9.676 -1.701 62 H PHE 10 H PHE 10 5.996 10.181 -1.208 63 HA PHE 10 HA PHE 10 5.051 8.426 0.713 64 1HB PHE 10 HB2 PHE 10 4.951 11.440 0.952 65 2HB PHE 10 HB1 PHE 10 5.253 10.250 2.230 66 HD1 PHE 10 HD1 PHE 10 6.846 12.736 0.545 67 HD2 PHE 10 HD2 PHE 10 7.319 8.515 1.279 68 HE1 PHE 10 HE1 PHE 10 9.287 12.935 0.139 69 HE2 PHE 10 HE2 PHE 10 9.757 8.719 0.868 70 HZ PHE 10 HZ PHE 10 10.746 10.930 0.302 71 H GLY 11 H GLY 11 3.302 11.087 -0.970 72 1HA GLY 11 HA1 GLY 11 0.900 10.935 0.537 73 2HA GLY 11 HA2 GLY 11 1.059 11.565 -1.118 74 H VAL 12 H VAL 12 1.829 9.392 -2.588 75 HA VAL 12 HA VAL 12 -0.589 7.998 -3.026 76 HB VAL 12 HB VAL 12 2.299 7.423 -3.829 77 1HG1 VAL 12 HG1 VAL 12 -0.300 6.043 -4.619 78 2HG1 VAL 12 HG1 VAL 12 1.178 5.960 -5.606 79 3HG1 VAL 12 HG1 VAL 12 1.173 5.298 -3.955 80 1HG2 VAL 12 HG2 VAL 12 1.270 9.501 -4.725 81 2HG2 VAL 12 HG2 VAL 12 1.519 8.298 -6.012 82 3HG2 VAL 12 HG2 VAL 12 -0.108 8.554 -5.336 83 H LEU 13 H LEU 13 2.426 6.986 -1.332 84 HA LEU 13 HA LEU 13 1.609 4.359 -0.690 85 1HB LEU 13 HB2 LEU 13 3.913 5.079 -0.519 86 2HB LEU 13 HB1 LEU 13 3.495 6.309 0.691 87 HG LEU 13 HG LEU 13 2.790 4.504 2.263 88 1HD1 LEU 13 HD1 LEU 13 2.105 2.747 0.752 89 2HD1 LEU 13 HD1 LEU 13 3.521 2.138 1.637 90 3HD1 LEU 13 HD1 LEU 13 3.701 2.720 -0.035 91 1HD2 LEU 13 HD2 LEU 13 5.072 5.335 2.401 92 2HD2 LEU 13 HD2 LEU 13 5.585 4.269 1.072 93 3HD2 LEU 13 HD2 LEU 13 5.099 3.571 2.637 94 H ALA 14 H ALA 14 1.250 7.440 1.161 95 HA ALA 14 HA ALA 14 0.096 6.295 3.486 96 1HB ALA 14 HB1 ALA 14 -0.355 9.038 2.231 97 2HB ALA 14 HB2 ALA 14 0.957 8.606 3.352 98 3HB ALA 14 HB3 ALA 14 -0.732 8.587 3.910 99 H LYS 15 H LYS 15 -1.436 7.524 0.446 100 HA LYS 15 HA LYS 15 -4.109 7.109 1.355 101 1HB LYS 15 H LYS 15 -3.108 8.469 -0.674 102 2HB LYS 15 H LYS 15 -3.314 6.933 -1.549 103 1HG LYS 15 H LYS 15 -5.690 6.900 -1.075 104 2HG LYS 15 H LYS 15 -5.533 8.231 0.091 105 1HD LYS 15 H LYS 15 -6.452 9.024 -2.078 106 2HD LYS 15 H LYS 15 -4.890 9.785 -1.694 107 1HE LYS 15 H LYS 15 -5.093 9.031 -4.088 108 2HE LYS 15 H LYS 15 -3.718 8.316 -3.226 109 1HZ LYS 15 H LYS 15 -4.847 6.661 -4.458 110 2HZ LYS 15 H LYS 15 -5.100 6.367 -2.857 111 3HZ LYS 15 H LYS 15 -6.303 7.031 -3.770 112 H ILE 16 H ILE 16 -1.739 5.051 -0.391 113 HA ILE 16 HA ILE 16 -3.510 2.888 -0.955 114 HB ILE 16 HB ILE 16 -0.511 3.170 -0.631 115 1HG1 ILE 16 HG1 ILE 16 -2.191 2.272 -3.007 116 2HG1 ILE 16 HG1 ILE 16 -1.841 3.981 -2.678 117 1HG2 ILE 16 HG2 ILE 16 -2.128 0.624 -1.056 118 2HG2 ILE 16 HG2 ILE 16 -0.911 0.943 0.201 119 3HG2 ILE 16 HG2 ILE 16 -0.409 0.764 -1.491 120 1HD1 ILE 16 HD1 ILE 16 0.154 1.761 -3.278 121 2HD1 ILE 16 HD1 ILE 16 -0.170 3.223 -4.233 122 3HD1 ILE 16 HD1 ILE 16 0.633 3.354 -2.652 123 H VAL 17 H VAL 17 -1.334 3.567 1.829 124 HA VAL 17 HA VAL 17 -1.867 1.207 3.287 125 HB VAL 17 HB VAL 17 -0.915 3.996 3.958 126 1HG1 VAL 17 HG1 VAL 17 -1.638 1.804 5.951 127 2HG1 VAL 17 HG1 VAL 17 -0.529 3.148 6.321 128 3HG1 VAL 17 HG1 VAL 17 -2.227 3.486 5.922 129 1HG2 VAL 17 HG2 VAL 17 0.296 1.226 4.370 130 2HG2 VAL 17 HG2 VAL 17 1.126 2.791 4.541 131 3HG2 VAL 17 HG2 VAL 17 0.579 2.246 2.938 132 H ASN 18 H ASN 18 -3.492 4.442 3.386 133 HA ASN 18 HA ASN 18 -5.380 3.722 5.412 134 1HB ASN 18 HB2 ASN 18 -4.847 6.049 4.753 135 2HB ASN 18 HB1 ASN 18 -5.595 5.771 3.165 136 1HD2 ASN 18 HD2 ASN 18 -7.381 7.093 3.245 137 2HD2 ASN 18 HD2 ASN 18 -8.641 6.974 4.453 138 H TYR 19 H TYR 19 -5.427 3.428 1.831 139 HA TYR 19 HA TYR 19 -8.164 2.679 1.598 140 1HB TYR 19 HB1 TYR 19 -7.299 3.150 -0.466 141 2HB TYR 19 HB2 TYR 19 -5.698 2.517 -0.064 142 HD1 TYR 19 HD1 TYR 19 -9.209 1.192 -0.472 143 HD2 TYR 19 HD2 TYR 19 -5.003 0.621 -1.208 144 HE1 TYR 19 HE1 TYR 19 -9.703 -0.928 -1.666 145 HE2 TYR 19 HE2 TYR 19 -5.503 -1.495 -2.403 146 HH TYR 19 HH TYR 19 -7.145 -2.870 -3.229 147 H MET 20 H MET 20 -5.182 0.609 1.692 148 HA MET 20 HA MET 20 -6.586 -1.854 1.820 149 1HB MET 20 HB2 MET 20 -3.820 -1.036 2.799 150 2HB MET 20 HB1 MET 20 -4.416 -2.710 2.787 151 1HG MET 20 HG1 MET 20 -5.032 -1.936 0.240 152 2HG MET 20 HG2 MET 20 -3.581 -0.969 0.531 153 1HE MET 20 HE1 MET 20 -4.657 -4.642 1.709 154 2HE MET 20 HE2 MET 20 -5.182 -4.415 0.025 155 3HE MET 20 HE3 MET 20 -3.891 -5.576 0.405 156 H LYS 21 H LYS 21 -5.605 0.476 4.339 157 HA LYS 21 HA LYS 21 -6.173 -1.142 6.601 158 1HB LYS 21 H LYS 21 -4.934 1.047 6.593 159 2HB LYS 21 H LYS 21 -6.465 1.875 6.292 160 1HG LYS 21 H LYS 21 -6.949 0.179 8.517 161 2HG LYS 21 H LYS 21 -5.354 0.902 8.791 162 1HD LYS 21 H LYS 21 -6.881 2.427 9.765 163 2HD LYS 21 H LYS 21 -6.412 3.166 8.218 164 1HE LYS 21 H LYS 21 -8.736 1.330 8.089 165 2HE LYS 21 H LYS 21 -8.995 2.783 9.068 166 1HZ LYS 21 H LYS 21 -9.599 3.194 6.824 167 2HZ LYS 21 H LYS 21 -8.253 4.086 7.175 168 3HZ LYS 21 H LYS 21 -8.126 2.716 6.265 169 H THR 22 H THR 22 -8.234 1.094 4.658 170 HA THR 22 HA THR 22 -10.593 0.709 6.258 171 HB THR 22 HB THR 22 -10.364 1.530 3.317 172 HG1 THR 22 HG1 THR 22 -9.191 3.011 4.306 173 1HG2 THR 22 HG2 THR 22 -12.457 2.063 5.472 174 2HG2 THR 22 HG2 THR 22 -12.455 2.784 3.845 175 3HG2 THR 22 HG2 THR 22 -12.661 1.028 4.037 176 H ARG 23 H ARG 23 -9.392 -0.812 3.215 177 HA ARG 23 HA ARG 23 -11.674 -2.418 2.691 178 1HB ARG 23 H ARG 23 -9.755 -1.936 1.125 179 2HB ARG 23 H ARG 23 -8.734 -3.019 2.101 180 1HG ARG 23 H ARG 23 -10.369 -4.865 1.684 181 2HG ARG 23 H ARG 23 -11.289 -3.776 0.622 182 1HD ARG 23 H ARG 23 -9.072 -3.451 -0.660 183 2HD ARG 23 H ARG 23 -8.468 -4.846 0.250 184 HE ARG 23 H ARG 23 -9.969 -6.271 -0.897 185 1HH1 ARG 23 H ARG 23 -9.728 -3.084 -2.372 186 2HH1 ARG 23 H ARG 23 -11.144 -3.276 -3.389 187 1HH2 ARG 23 H ARG 23 -11.724 -6.630 -2.376 188 2HH2 ARG 23 H ARG 23 -12.049 -5.422 -3.610 189 H HIS 24 H HIS 24 -8.670 -3.086 4.551 190 HA HIS 24 HA HIS 24 -9.364 -5.730 5.362 191 1HB HIS 24 HB1 HIS 24 -7.094 -4.778 5.457 192 2HB HIS 24 HB2 HIS 24 -7.631 -3.588 6.653 193 HD1 HIS 24 HD1 HIS 24 -6.226 -6.989 6.334 194 HD2 HIS 24 HD2 HIS 24 -8.348 -4.829 9.216 195 HE1 HIS 24 HE1 HIS 24 -5.958 -8.195 8.558 196 H GLN 25 H GLN 25 -9.951 -2.474 6.680 197 HA GLN 25 HA GLN 25 -11.436 -3.432 9.001 198 1HB GLN 25 HB2 GLN 25 -10.038 -1.290 8.804 199 2HB GLN 25 HB1 GLN 25 -11.331 -0.639 7.778 200 1HG GLN 25 HG2 GLN 25 -12.939 -0.883 9.601 201 2HG GLN 25 HG1 GLN 25 -11.715 -1.692 10.589 202 1HE2 GLN 25 HE2 GLN 25 -11.025 -0.391 12.191 203 2HE2 GLN 25 HE2 GLN 25 -10.645 1.315 12.005 204 H ARG 26 H ARG 26 -12.579 -4.788 7.002 205 HA ARG 26 HA ARG 26 -15.283 -3.768 6.873 206 1HB ARG 26 H ARG 26 -13.443 -3.122 4.705 207 2HB ARG 26 H ARG 26 -14.740 -4.180 4.112 208 1HG ARG 26 H ARG 26 -16.412 -2.641 4.612 209 2HG ARG 26 H ARG 26 -15.464 -1.868 5.895 210 1HD ARG 26 H ARG 26 -13.871 -1.083 4.023 211 2HD ARG 26 H ARG 26 -15.146 -1.573 2.892 212 HE ARG 26 H ARG 26 -16.327 0.327 3.456 213 1HH1 ARG 26 H ARG 26 -14.053 -0.433 6.085 214 2HH1 ARG 26 H ARG 26 -14.309 1.089 6.913 215 1HH2 ARG 26 H ARG 26 -16.658 2.317 4.574 216 2HH2 ARG 26 H ARG 26 -15.825 2.630 6.079 217 H GLY 27 H GLY 27 -13.035 -5.923 5.007 218 1HA GLY 27 HA1 GLY 27 -14.067 -8.337 6.095 219 2HA GLY 27 HA2 GLY 27 -14.944 -7.980 4.591 220 H ASP 28 H ASP 28 -12.906 -6.760 3.070 221 HA ASP 28 HA ASP 28 -11.438 -9.108 2.201 222 1HB ASP 28 H ASP 28 -11.896 -6.306 1.279 223 2HB ASP 28 H ASP 28 -10.362 -7.048 0.786 224 H THR 29 H THR 29 -10.365 -9.431 4.355 225 HA THR 29 HA THR 29 -8.202 -7.570 5.030 226 HB THR 29 HB THR 29 -7.744 -9.227 6.825 227 HG1 THR 29 HG1 THR 29 -8.324 -11.113 5.767 228 1HG2 THR 29 HG2 THR 29 -9.871 -8.965 8.030 229 2HG2 THR 29 HG2 THR 29 -9.469 -7.474 7.152 230 3HG2 THR 29 HG2 THR 29 -10.706 -8.575 6.509 231 H HIS 30 H HIS 30 -8.656 -10.026 2.724 232 HA HIS 30 HA HIS 30 -6.147 -11.373 2.882 233 1HB HIS 30 HB1 HIS 30 -6.874 -12.518 1.031 234 2HB HIS 30 HB2 HIS 30 -8.426 -11.891 1.605 235 HD1 HIS 30 HD1 HIS 30 -8.702 -9.149 0.479 236 HD2 HIS 30 HD2 HIS 30 -6.801 -12.197 -1.673 237 HE1 HIS 30 HE1 HIS 30 -8.747 -8.507 -1.980 238 HA PRO 31 HA PRO 31 -3.448 -8.421 1.072 239 1HB PRO 31 HB1 PRO 31 -1.705 -10.121 -0.299 240 2HB PRO 31 HB2 PRO 31 -1.606 -9.738 1.426 241 1HG PRO 31 HG1 PRO 31 -2.508 -12.231 0.116 242 2HG PRO 31 HG2 PRO 31 -1.999 -11.959 1.805 243 1HD PRO 31 HD2 PRO 31 -4.666 -12.262 0.842 244 2HD PRO 31 HD1 PRO 31 -4.155 -11.789 2.489 245 H LEU 32 H LEU 32 -2.653 -7.481 -0.931 246 HA LEU 32 HA LEU 32 -3.923 -8.486 -3.432 247 1HB LEU 32 HB2 LEU 32 -3.980 -5.684 -2.245 248 2HB LEU 32 HB1 LEU 32 -4.211 -5.981 -3.977 249 HG LEU 32 HG LEU 32 -5.944 -7.082 -1.716 250 1HD1 LEU 32 HD1 LEU 32 -7.660 -5.607 -2.721 251 2HD1 LEU 32 HD1 LEU 32 -6.238 -4.666 -2.217 252 3HD1 LEU 32 HD1 LEU 32 -6.480 -5.057 -3.940 253 1HD2 LEU 32 HD2 LEU 32 -6.010 -8.741 -3.427 254 2HD2 LEU 32 HD2 LEU 32 -5.940 -7.532 -4.719 255 3HD2 LEU 32 HD2 LEU 32 -7.418 -7.717 -3.757 256 H THR 33 H THR 33 -2.552 -8.313 -5.244 257 HA THR 33 HA THR 33 0.237 -7.827 -4.841 258 HB THR 33 HB THR 33 0.439 -7.902 -7.267 259 HG1 THR 33 HG1 THR 33 -1.543 -7.959 -8.497 260 1HG2 THR 33 HG2 THR 33 -0.235 -10.003 -5.920 261 2HG2 THR 33 HG2 THR 33 -0.430 -10.054 -7.685 262 3HG2 THR 33 HG2 THR 33 -1.844 -9.786 -6.647 263 H LEU 34 H LEU 34 1.453 -6.104 -6.143 264 HA LEU 34 HA LEU 34 0.736 -3.550 -5.193 265 1HB LEU 34 HB2 LEU 34 3.027 -4.367 -5.862 266 2HB LEU 34 HB1 LEU 34 2.531 -4.262 -7.560 267 HG LEU 34 HG LEU 34 3.863 -2.283 -6.577 268 1HD1 LEU 34 HD1 LEU 34 2.249 -2.364 -8.664 269 2HD1 LEU 34 HD1 LEU 34 2.873 -0.809 -8.071 270 3HD1 LEU 34 HD1 LEU 34 1.225 -1.317 -7.661 271 1HD2 LEU 34 HD2 LEU 34 2.712 -0.655 -5.255 272 2HD2 LEU 34 HD2 LEU 34 1.161 -1.498 -5.419 273 3HD2 LEU 34 HD2 LEU 34 2.466 -2.218 -4.450 274 H ASP 35 H ASP 35 0.420 -5.010 -8.489 275 HA ASP 35 HA ASP 35 -0.798 -2.747 -9.685 276 1HB ASP 35 H ASP 35 -0.915 -5.703 -10.356 277 2HB ASP 35 H ASP 35 -1.559 -4.416 -11.401 278 H GLU 36 H GLU 36 -2.257 -5.589 -7.974 279 HA GLU 36 HA GLU 36 -4.969 -5.032 -8.545 280 1HB GLU 36 H GLU 36 -3.540 -6.355 -6.237 281 2HB GLU 36 H GLU 36 -5.290 -6.069 -6.159 282 1HG GLU 36 H GLU 36 -5.584 -7.274 -8.310 283 2HG GLU 36 H GLU 36 -3.842 -7.593 -8.368 284 H ILE 37 H ILE 37 -2.734 -3.544 -6.194 285 HA ILE 37 HA ILE 37 -4.776 -2.067 -4.794 286 HB ILE 37 HB ILE 37 -1.752 -1.811 -5.015 287 1HG1 ILE 37 HG1 ILE 37 -3.477 -2.546 -2.621 288 2HG1 ILE 37 HG1 ILE 37 -2.923 -3.762 -3.789 289 1HG2 ILE 37 HG2 ILE 37 -3.695 -0.202 -3.308 290 2HG2 ILE 37 HG2 ILE 37 -1.930 -0.211 -3.114 291 3HG2 ILE 37 HG2 ILE 37 -2.650 0.431 -4.600 292 1HD1 ILE 37 HD1 ILE 37 -1.201 -1.962 -2.039 293 2HD1 ILE 37 HD1 ILE 37 -1.317 -3.735 -1.996 294 3HD1 ILE 37 HD1 ILE 37 -0.552 -2.928 -3.384 295 H LEU 38 H LEU 38 -2.548 -1.289 -7.546 296 HA LEU 38 HA LEU 38 -3.087 1.453 -7.788 297 1HB LEU 38 HB2 LEU 38 -2.822 -0.446 -10.151 298 2HB LEU 38 HB1 LEU 38 -2.430 1.279 -10.106 299 HG LEU 38 HG LEU 38 -1.003 -0.878 -8.532 300 1HD1 LEU 38 HD1 LEU 38 0.028 0.740 -10.872 301 2HD1 LEU 38 HD1 LEU 38 -0.723 -0.861 -11.064 302 3HD1 LEU 38 HD1 LEU 38 0.768 -0.689 -10.115 303 1HD2 LEU 38 HD2 LEU 38 0.690 0.932 -8.117 304 2HD2 LEU 38 HD2 LEU 38 -0.882 1.271 -7.356 305 3HD2 LEU 38 HD2 LEU 38 -0.426 2.089 -8.867 306 H ASP 39 H ASP 39 -5.053 -1.337 -8.855 307 HA ASP 39 HA ASP 39 -6.839 0.042 -10.548 308 1HB ASP 39 H ASP 39 -6.667 -2.421 -10.346 309 2HB ASP 39 H ASP 39 -7.383 -2.336 -8.723 310 H GLU 40 H GLU 40 -7.373 -0.853 -7.072 311 HA GLU 40 HA GLU 40 -9.751 0.686 -6.786 312 1HB GLU 40 H GLU 40 -7.723 -0.514 -4.890 313 2HB GLU 40 H GLU 40 -9.060 0.483 -4.272 314 1HG GLU 40 H GLU 40 -9.737 -1.649 -6.283 315 2HG GLU 40 H GLU 40 -9.299 -2.185 -4.654 316 H THR 41 H THR 41 -6.512 1.415 -5.303 317 HA THR 41 HA THR 41 -7.164 4.273 -5.180 318 HB THR 41 HB THR 41 -4.584 4.262 -4.587 319 HG1 THR 41 HG1 THR 41 -4.022 2.217 -3.712 320 1HG2 THR 41 HG2 THR 41 -6.591 2.899 -2.754 321 2HG2 THR 41 HG2 THR 41 -5.144 3.815 -2.262 322 3HG2 THR 41 HG2 THR 41 -6.517 4.654 -3.023 323 H GLN 42 H GLN 42 -7.715 4.522 -7.404 324 HA GLN 42 HA GLN 42 -6.576 3.888 -9.724 325 1HB GLN 42 HB2 GLN 42 -8.500 5.377 -9.498 326 2HB GLN 42 HB1 GLN 42 -7.461 6.684 -8.893 327 1HG GLN 42 HG1 GLN 42 -8.092 6.871 -11.341 328 2HG GLN 42 HG2 GLN 42 -6.349 6.899 -11.028 329 1HE2 GLN 42 HE2 GLN 42 -5.070 5.476 -12.113 330 2HE2 GLN 42 HE2 GLN 42 -5.655 4.103 -13.025 331 H HIS 43 H HIS 43 -4.338 3.416 -9.501 332 HA HIS 43 HA HIS 43 -2.603 5.767 -10.046 333 1HB HIS 43 HB2 HIS 43 -1.912 3.533 -8.095 334 2HB HIS 43 HB1 HIS 43 -0.854 4.869 -8.570 335 HD1 HIS 43 HD1 HIS 43 -3.098 7.158 -8.288 336 HD2 HIS 43 HD2 HIS 43 -2.148 4.264 -5.421 337 HE1 HIS 43 HE1 HIS 43 -3.859 8.026 -6.025 338 H LEU 44 H LEU 44 -3.907 3.601 -11.700 339 HA LEU 44 HA LEU 44 -1.987 1.609 -12.347 340 1HB LEU 44 HB1 LEU 44 -4.267 2.912 -13.845 341 2HB LEU 44 HB2 LEU 44 -3.220 1.711 -14.635 342 HG LEU 44 HG LEU 44 -4.278 1.026 -11.893 343 1HD1 LEU 44 HD1 LEU 44 -5.951 0.981 -14.452 344 2HD1 LEU 44 HD1 LEU 44 -6.287 1.925 -12.980 345 3HD1 LEU 44 HD1 LEU 44 -6.386 0.149 -12.939 346 1HD2 LEU 44 HD2 LEU 44 -3.937 -0.550 -14.489 347 2HD2 LEU 44 HD2 LEU 44 -4.325 -1.225 -12.889 348 3HD2 LEU 44 HD2 LEU 44 -2.742 -0.465 -13.173 349 H ASP 45 H ASP 45 -2.431 4.979 -13.469 350 HA ASP 45 HA ASP 45 0.058 4.826 -15.064 351 1HB ASP 45 H ASP 45 -1.907 6.060 -15.958 352 2HB ASP 45 H ASP 45 -1.881 7.123 -14.535 353 H ILE 46 H ILE 46 1.113 4.177 -12.967 354 HA ILE 46 HA ILE 46 1.445 6.352 -10.995 355 HB ILE 46 HB ILE 46 1.008 4.358 -9.882 356 1HG1 ILE 46 HG1 ILE 46 4.003 4.113 -10.102 357 2HG1 ILE 46 HG1 ILE 46 3.219 5.454 -9.230 358 1HG2 ILE 46 HG2 ILE 46 1.039 2.819 -11.790 359 2HG2 ILE 46 HG2 ILE 46 2.809 2.919 -11.874 360 3HG2 ILE 46 HG2 ILE 46 2.023 2.153 -10.482 361 1HD1 ILE 46 HD1 ILE 46 1.959 3.709 -7.883 362 2HD1 ILE 46 HD1 ILE 46 3.717 3.734 -7.613 363 3HD1 ILE 46 HD1 ILE 46 2.996 2.476 -8.638 364 H GLY 47 H GLY 47 3.428 4.258 -13.123 365 1HA GLY 47 HA2 GLY 47 5.312 5.209 -14.328 366 2HA GLY 47 HA1 GLY 47 5.636 6.254 -12.925 367 H LEU 48 H LEU 48 7.015 3.816 -14.457 368 HA LEU 48 HA LEU 48 7.254 1.618 -12.773 369 1HB LEU 48 HB1 LEU 48 8.170 1.848 -15.087 370 2HB LEU 48 HB2 LEU 48 9.463 2.888 -14.450 371 HG LEU 48 HG LEU 48 9.134 0.310 -12.996 372 1HD1 LEU 48 HD1 LEU 48 10.250 -1.012 -14.782 373 2HD1 LEU 48 HD1 LEU 48 10.085 0.367 -15.894 374 3HD1 LEU 48 HD1 LEU 48 8.634 -0.462 -15.282 375 1HD2 LEU 48 HD2 LEU 48 11.599 0.327 -13.191 376 2HD2 LEU 48 HD2 LEU 48 11.011 1.904 -12.620 377 3HD2 LEU 48 HD2 LEU 48 11.511 1.704 -14.314 378 H LYS 49 H LYS 49 9.007 4.750 -12.580 379 HA LYS 49 HA LYS 49 10.925 4.007 -10.661 380 1HB LYS 49 H LYS 49 11.156 6.393 -10.234 381 2HB LYS 49 H LYS 49 10.917 6.120 -11.972 382 1HG LYS 49 H LYS 49 8.422 6.582 -11.574 383 2HG LYS 49 H LYS 49 8.877 7.109 -9.938 384 1HD LYS 49 H LYS 49 8.876 9.121 -11.165 385 2HD LYS 49 H LYS 49 10.595 8.662 -11.141 386 1HE LYS 49 H LYS 49 10.378 7.671 -13.392 387 2HE LYS 49 H LYS 49 8.640 8.038 -13.405 388 1HZ LYS 49 H LYS 49 9.190 10.356 -13.282 389 2HZ LYS 49 H LYS 49 10.805 10.019 -13.259 390 3HZ LYS 49 H LYS 49 9.908 9.666 -14.598 391 H GLN 50 H GLN 50 7.478 4.864 -10.242 392 HA GLN 50 HA GLN 50 7.768 4.893 -7.303 393 1HB GLN 50 HB2 GLN 50 5.341 5.227 -9.082 394 2HB GLN 50 HB1 GLN 50 5.386 5.494 -7.332 395 1HG GLN 50 HG1 GLN 50 7.351 7.144 -7.943 396 2HG GLN 50 HG2 GLN 50 6.633 7.094 -9.571 397 1HE2 GLN 50 HE2 GLN 50 4.310 7.659 -9.781 398 2HE2 GLN 50 HE2 GLN 50 3.625 8.820 -8.660 399 H LYS 51 H LYS 51 6.055 2.985 -9.862 400 HA LYS 51 HA LYS 51 4.830 1.052 -8.275 401 1HB LYS 51 H LYS 51 4.516 1.248 -10.701 402 2HB LYS 51 H LYS 51 6.202 0.769 -10.985 403 1HG LYS 51 H LYS 51 5.596 -1.405 -10.974 404 2HG LYS 51 H LYS 51 5.009 -1.235 -9.307 405 1HD LYS 51 H LYS 51 3.138 -2.003 -10.572 406 2HD LYS 51 H LYS 51 2.855 -0.270 -10.294 407 1HE LYS 51 H LYS 51 3.602 0.270 -12.543 408 2HE LYS 51 H LYS 51 4.130 -1.407 -12.817 409 1HZ LYS 51 H LYS 51 1.795 -2.057 -12.500 410 2HZ LYS 51 H LYS 51 2.039 -1.091 -13.821 411 3HZ LYS 51 H LYS 51 1.374 -0.459 -12.452 412 H GLN 52 H GLN 52 8.165 0.940 -9.668 413 HA GLN 52 HA GLN 52 8.923 -1.519 -8.506 414 1HB GLN 52 HB2 GLN 52 10.118 -0.289 -10.346 415 2HB GLN 52 HB1 GLN 52 10.678 0.894 -9.144 416 1HG GLN 52 HG2 GLN 52 12.442 -0.738 -9.490 417 2HG GLN 52 HG1 GLN 52 11.762 -0.988 -7.870 418 1HE2 GLN 52 HE2 GLN 52 12.680 -3.169 -7.983 419 2HE2 GLN 52 HE2 GLN 52 11.829 -4.425 -8.858 420 H TRP 53 H TRP 53 9.263 1.860 -7.297 421 HA TRP 53 HA TRP 53 10.718 1.271 -4.955 422 1HB TRP 53 HB2 TRP 53 10.531 3.520 -5.617 423 2HB TRP 53 HB1 TRP 53 8.774 3.436 -5.746 424 HD1 TRP 53 HD1 TRP 53 11.442 3.261 -2.967 425 HE1 TRP 53 HE1 TRP 53 10.544 4.421 -0.849 426 HE3 TRP 53 HE3 TRP 53 6.720 4.370 -4.595 427 HZ2 TRP 53 HZ2 TRP 53 8.116 5.669 -0.005 428 HZ3 TRP 53 HZ3 TRP 53 5.126 5.511 -3.086 429 HH2 TRP 53 HH2 TRP 53 5.819 6.162 -0.787 430 H LEU 54 H LEU 54 7.119 1.603 -5.355 431 HA LEU 54 HA LEU 54 6.393 0.946 -2.746 432 1HB LEU 54 HB2 LEU 54 5.046 0.277 -5.389 433 2HB LEU 54 HB1 LEU 54 4.284 0.006 -3.808 434 HG LEU 54 HG LEU 54 5.303 2.716 -4.755 435 1HD1 LEU 54 HD1 LEU 54 2.454 1.654 -4.678 436 2HD1 LEU 54 HD1 LEU 54 3.430 1.826 -6.156 437 3HD1 LEU 54 HD1 LEU 54 2.975 3.267 -5.218 438 1HD2 LEU 54 HD2 LEU 54 3.699 3.459 -2.894 439 2HD2 LEU 54 HD2 LEU 54 5.188 2.658 -2.351 440 3HD2 LEU 54 HD2 LEU 54 3.655 1.757 -2.382 441 H MET 55 H MET 55 7.093 -1.209 -5.505 442 HA MET 55 HA MET 55 6.374 -3.632 -4.258 443 1HB MET 55 HB1 MET 55 6.837 -3.067 -6.734 444 2HB MET 55 HB2 MET 55 8.553 -3.314 -6.355 445 1HG MET 55 HG1 MET 55 6.433 -5.373 -5.682 446 2HG MET 55 HG2 MET 55 7.202 -5.323 -7.271 447 1HE MET 55 HE1 MET 55 10.835 -6.354 -6.687 448 2HE MET 55 HE2 MET 55 9.517 -6.084 -7.853 449 3HE MET 55 HE3 MET 55 10.170 -4.721 -6.916 450 H THR 56 H THR 56 9.700 -2.130 -4.550 451 HA THR 56 HA THR 56 10.541 -4.060 -2.432 452 HB THR 56 HB THR 56 11.499 -4.738 -4.515 453 HG1 THR 56 HG1 THR 56 13.393 -3.308 -2.963 454 1HG2 THR 56 HG2 THR 56 13.098 -3.112 -5.704 455 2HG2 THR 56 HG2 THR 56 12.314 -1.819 -4.768 456 3HG2 THR 56 HG2 THR 56 11.361 -2.802 -5.901 457 H GLU 57 H GLU 57 9.508 -1.723 -1.495 458 HA GLU 57 HA GLU 57 11.751 -0.788 0.038 459 1HB GLU 57 H GLU 57 12.152 0.621 -1.953 460 2HB GLU 57 H GLU 57 10.497 1.243 -1.843 461 1HG GLU 57 H GLU 57 12.181 2.785 -0.830 462 2HG GLU 57 H GLU 57 10.941 2.255 0.322 463 H ALA 58 H ALA 58 8.610 0.625 -1.055 464 HA ALA 58 HA ALA 58 7.903 1.437 1.596 465 1HB ALA 58 HB1 ALA 58 6.005 0.962 -0.721 466 2HB ALA 58 HB2 ALA 58 7.070 2.384 -0.616 467 3HB ALA 58 HB3 ALA 58 5.830 2.102 0.626 468 H LEU 59 H LEU 59 6.460 -1.160 -0.481 469 HA LEU 59 HA LEU 59 4.979 -2.206 1.801 470 1HB LEU 59 HB2 LEU 59 5.310 -3.363 -0.997 471 2HB LEU 59 HB1 LEU 59 4.039 -3.753 0.179 472 HG LEU 59 HG LEU 59 4.469 -1.071 -1.218 473 1HD1 LEU 59 HD1 LEU 59 3.416 -2.900 -2.551 474 2HD1 LEU 59 HD1 LEU 59 2.295 -1.554 -2.229 475 3HD1 LEU 59 HD1 LEU 59 2.167 -3.063 -1.294 476 1HD2 LEU 59 HD2 LEU 59 2.321 -0.439 -0.047 477 2HD2 LEU 59 HD2 LEU 59 2.494 -1.902 0.946 478 3HD2 LEU 59 HD2 LEU 59 3.711 -0.608 1.046 479 H VAL 60 H VAL 60 7.816 -2.215 2.192 480 HA VAL 60 HA VAL 60 8.271 -5.154 2.423 481 HB VAL 60 HB VAL 60 10.357 -3.023 1.773 482 1HG1 VAL 60 HG1 VAL 60 10.498 -6.058 2.044 483 2HG1 VAL 60 HG1 VAL 60 11.301 -4.858 3.086 484 3HG1 VAL 60 HG1 VAL 60 11.804 -5.041 1.387 485 1HG2 VAL 60 HG2 VAL 60 8.993 -5.156 0.080 486 2HG2 VAL 60 HG2 VAL 60 8.990 -3.396 -0.186 487 3HG2 VAL 60 HG2 VAL 60 10.490 -4.325 -0.394 488 H ASN 61 H ASN 61 9.095 -1.848 3.641 489 HA ASN 61 HA ASN 61 9.682 -3.101 6.292 490 1HB ASN 61 HB1 ASN 61 10.981 -0.971 6.700 491 2HB ASN 61 HB2 ASN 61 11.641 -2.046 5.452 492 1HD2 ASN 61 HD2 ASN 61 12.642 -0.684 4.050 493 2HD2 ASN 61 HD2 ASN 61 11.864 0.651 3.219 494 H ASN 62 H ASN 62 7.288 -1.270 4.652 495 HA ASN 62 HA ASN 62 6.594 0.622 6.653 496 1HB ASN 62 HB2 ASN 62 5.710 0.615 4.340 497 2HB ASN 62 HB1 ASN 62 4.770 -0.842 4.714 498 1HD2 ASN 62 HD2 ASN 62 4.693 2.525 4.566 499 2HD2 ASN 62 HD2 ASN 62 3.295 2.816 5.577 500 HA PRO 63 HA PRO 63 5.543 -2.238 9.887 501 1HB PRO 63 HB1 PRO 63 3.978 -0.273 11.310 502 2HB PRO 63 HB2 PRO 63 5.638 -0.829 11.654 503 1HG PRO 63 HG2 PRO 63 4.773 1.695 10.484 504 2HG PRO 63 HG1 PRO 63 6.423 1.187 10.939 505 1HD PRO 63 HD1 PRO 63 5.337 1.446 8.296 506 2HD PRO 63 HD2 PRO 63 6.948 0.821 8.759 507 H LYS 64 H LYS 64 3.031 -0.175 8.358 508 HA LYS 64 HA LYS 64 0.887 -1.938 9.324 509 1HB LYS 64 H LYS 64 0.966 0.587 7.640 510 2HB LYS 64 H LYS 64 -0.530 -0.327 7.940 511 1HG LYS 64 H LYS 64 -0.119 -0.127 10.399 512 2HG LYS 64 H LYS 64 1.299 0.893 10.056 513 1HD LYS 64 H LYS 64 -0.074 2.586 9.009 514 2HD LYS 64 H LYS 64 -1.507 1.533 9.043 515 1HE LYS 64 H LYS 64 -0.039 2.478 11.542 516 2HE LYS 64 H LYS 64 -1.452 3.307 10.855 517 1HZ LYS 64 H LYS 64 -2.089 1.808 12.582 518 2HZ LYS 64 H LYS 64 -2.693 1.276 11.142 519 3HZ LYS 64 H LYS 64 -1.385 0.530 11.813 520 H ILE 65 H ILE 65 3.091 -2.862 7.324 521 HA ILE 65 HA ILE 65 1.156 -4.044 5.396 522 HB ILE 65 HB ILE 65 3.896 -2.889 4.724 523 1HG1 ILE 65 HG1 ILE 65 1.977 -1.224 4.946 524 2HG1 ILE 65 HG1 ILE 65 2.750 -1.276 3.353 525 1HG2 ILE 65 HG2 ILE 65 3.656 -4.865 3.422 526 2HG2 ILE 65 HG2 ILE 65 3.146 -3.545 2.349 527 3HG2 ILE 65 HG2 ILE 65 1.925 -4.570 3.137 528 1HD1 ILE 65 HD1 ILE 65 0.264 -1.196 3.196 529 2HD1 ILE 65 HD1 ILE 65 0.170 -2.733 4.075 530 3HD1 ILE 65 HD1 ILE 65 0.930 -2.674 2.473 531 H GLU 66 H GLU 66 1.554 -6.169 4.857 532 HA GLU 66 HA GLU 66 4.055 -7.439 5.762 533 1HB GLU 66 H GLU 66 2.784 -9.263 6.903 534 2HB GLU 66 H GLU 66 2.622 -7.690 7.716 535 1HG GLU 66 H GLU 66 0.435 -7.352 6.512 536 2HG GLU 66 H GLU 66 0.590 -8.990 5.848 537 H VAL 67 H VAL 67 4.627 -9.198 4.488 538 HA VAL 67 HA VAL 67 2.990 -9.539 2.035 539 HB VAL 67 HB VAL 67 5.782 -10.630 2.542 540 1HG1 VAL 67 HG1 VAL 67 4.286 -9.720 0.039 541 2HG1 VAL 67 HG1 VAL 67 5.928 -10.404 0.080 542 3HG1 VAL 67 HG1 VAL 67 4.537 -11.409 0.540 543 1HG2 VAL 67 HG2 VAL 67 6.543 -8.479 1.362 544 2HG2 VAL 67 HG2 VAL 67 4.942 -7.815 1.755 545 3HG2 VAL 67 HG2 VAL 67 6.045 -8.303 3.060 546 H ILE 68 H ILE 68 2.022 -11.472 1.497 547 HA ILE 68 HA ILE 68 2.288 -13.676 3.507 548 HB ILE 68 HB ILE 68 0.072 -12.754 1.657 549 1HG1 ILE 68 HG1 ILE 68 -1.263 -13.147 3.765 550 2HG1 ILE 68 HG1 ILE 68 0.247 -13.579 4.597 551 1HG2 ILE 68 HG2 ILE 68 0.486 -15.544 2.809 552 2HG2 ILE 68 HG2 ILE 68 0.198 -15.099 1.110 553 3HG2 ILE 68 HG2 ILE 68 -1.105 -14.930 2.304 554 1HD1 ILE 68 HD1 ILE 68 1.097 -11.376 4.436 555 2HD1 ILE 68 HD1 ILE 68 -0.037 -10.933 3.138 556 3HD1 ILE 68 HD1 ILE 68 -0.622 -11.136 4.806 557 H ASP 69 H ASP 69 1.744 -13.181 -0.020 558 HA ASP 69 HA ASP 69 3.939 -14.959 -0.705 559 1HB ASP 69 H ASP 69 2.193 -16.620 -0.165 560 2HB ASP 69 H ASP 69 1.056 -15.799 -1.254 561 H GLY 70 H GLY 70 4.443 -12.799 -1.587 562 1HA GLY 70 HA1 GLY 70 4.767 -11.593 -3.544 563 2HA GLY 70 HA2 GLY 70 3.515 -12.566 -4.348 564 H LYS 71 H LYS 71 1.376 -12.150 -2.463 565 HA LYS 71 HA LYS 71 0.566 -9.470 -3.313 566 1HB LYS 71 H LYS 71 -0.947 -11.512 -1.647 567 2HB LYS 71 H LYS 71 -1.623 -10.117 -2.500 568 1HG LYS 71 H LYS 71 -0.162 -11.605 -4.439 569 2HG LYS 71 H LYS 71 -1.076 -12.799 -3.493 570 1HD LYS 71 H LYS 71 -2.347 -10.264 -4.585 571 2HD LYS 71 H LYS 71 -2.279 -11.766 -5.528 572 1HE LYS 71 H LYS 71 -3.738 -12.887 -4.101 573 2HE LYS 71 H LYS 71 -3.343 -11.859 -2.708 574 1HZ LYS 71 H LYS 71 -5.524 -11.603 -4.200 575 2HZ LYS 71 H LYS 71 -4.870 -10.392 -3.287 576 3HZ LYS 71 H LYS 71 -4.544 -10.474 -4.912 577 H TYR 72 H TYR 72 0.024 -7.744 -1.915 578 HA TYR 72 HA TYR 72 1.430 -7.869 0.714 579 1HB TYR 72 HB2 TYR 72 0.577 -5.483 -0.970 580 2HB TYR 72 HB1 TYR 72 1.570 -5.438 0.496 581 HD1 TYR 72 HD1 TYR 72 3.863 -6.457 0.475 582 HD2 TYR 72 HD2 TYR 72 1.541 -5.964 -3.114 583 HE1 TYR 72 HE1 TYR 72 5.914 -6.765 -0.890 584 HE2 TYR 72 HE2 TYR 72 3.594 -6.264 -4.483 585 HH TYR 72 HH TYR 72 5.827 -6.860 -4.451 586 H ALA 73 H ALA 73 0.275 -7.814 2.557 587 HA ALA 73 HA ALA 73 -2.576 -6.912 2.413 588 1HB ALA 73 HB1 ALA 73 -2.638 -8.254 4.656 589 2HB ALA 73 HB2 ALA 73 -2.631 -9.159 3.132 590 3HB ALA 73 HB3 ALA 73 -1.133 -8.993 4.070 591 H PHE 74 H PHE 74 -3.360 -5.569 4.060 592 HA PHE 74 HA PHE 74 -1.369 -3.813 5.254 593 1HB PHE 74 HB2 PHE 74 -3.200 -2.593 4.628 594 2HB PHE 74 HB1 PHE 74 -4.331 -3.919 4.922 595 HD1 PHE 74 HD1 PHE 74 -5.326 -4.274 7.082 596 HD2 PHE 74 HD2 PHE 74 -2.505 -1.095 6.471 597 HE1 PHE 74 HE1 PHE 74 -6.071 -3.227 9.202 598 HE2 PHE 74 HE2 PHE 74 -3.234 -0.047 8.602 599 HZ PHE 74 HZ PHE 74 -5.046 -1.099 9.950 600 H LYS 75 H LYS 75 -0.422 -4.189 7.165 601 HA LYS 75 HA LYS 75 -1.196 -6.466 8.750 602 1HB LYS 75 H LYS 75 1.148 -5.617 8.373 603 2HB LYS 75 H LYS 75 0.760 -4.245 9.430 604 1HG LYS 75 H LYS 75 0.273 -5.772 11.291 605 2HG LYS 75 H LYS 75 0.517 -7.177 10.229 606 1HD LYS 75 H LYS 75 2.889 -6.102 9.797 607 2HD LYS 75 H LYS 75 2.559 -5.219 11.306 608 1HE LYS 75 H LYS 75 3.691 -7.178 12.016 609 2HE LYS 75 H LYS 75 1.977 -7.533 12.317 610 1HZ LYS 75 H LYS 75 3.040 -9.357 11.246 611 2HZ LYS 75 H LYS 75 3.556 -8.412 9.999 612 3HZ LYS 75 H LYS 75 1.943 -8.700 10.200 613 HA PRO 76 HA PRO 76 -4.279 -4.164 11.028 614 1HB PRO 76 HB1 PRO 76 -4.550 -6.195 13.022 615 2HB PRO 76 HB2 PRO 76 -5.586 -5.932 11.592 616 1HG PRO 76 HG1 PRO 76 -3.577 -8.020 12.055 617 2HG PRO 76 HG2 PRO 76 -4.786 -7.896 10.748 618 1HD PRO 76 HD1 PRO 76 -1.970 -7.434 10.557 619 2HD PRO 76 HD2 PRO 76 -3.204 -7.138 9.297 620 H LYS 77 H LYS 77 -3.980 -2.632 12.600 621 HA LYS 77 HA LYS 77 -2.459 -3.197 15.002 622 1HB LYS 77 H LYS 77 -0.736 -2.699 13.095 623 2HB LYS 77 H LYS 77 -1.317 -1.024 13.220 624 1HG LYS 77 H LYS 77 0.478 -1.030 14.731 625 2HG LYS 77 H LYS 77 -0.903 -1.356 15.804 626 1HD LYS 77 H LYS 77 -0.440 -3.802 15.626 627 2HD LYS 77 H LYS 77 0.962 -3.448 14.589 628 1HE LYS 77 H LYS 77 1.988 -2.130 16.415 629 2HE LYS 77 H LYS 77 0.579 -2.454 17.450 630 1HZ LYS 77 H LYS 77 2.407 -4.481 16.358 631 2HZ LYS 77 H LYS 77 1.099 -4.782 17.319 632 3HZ LYS 77 H LYS 77 2.385 -3.938 17.916 633 H TYR 78 H TYR 78 -3.441 -2.095 16.579 634 HA TYR 78 HA TYR 78 -4.765 -0.604 17.673 635 1HB TYR 78 HB1 TYR 78 -3.622 1.331 15.621 636 2HB TYR 78 HB2 TYR 78 -4.465 1.791 17.110 637 HD1 TYR 78 HD1 TYR 78 -3.466 0.623 19.322 638 HD2 TYR 78 HD2 TYR 78 -1.294 1.308 15.665 639 HE1 TYR 78 HE1 TYR 78 -1.324 0.512 20.573 640 HE2 TYR 78 HE2 TYR 78 0.848 1.197 16.919 641 HH TYR 78 HH TYR 78 0.958 0.685 20.460 642 H ASN 79 H ASN 79 -5.460 1.616 15.140 643 HA ASN 79 HA ASN 79 -7.341 2.111 13.957 644 1HB ASN 79 HB2 ASN 79 -7.338 -0.891 13.845 645 2HB ASN 79 HB1 ASN 79 -8.826 -0.049 13.383 646 1HD2 ASN 79 HD2 ASN 79 -5.254 0.196 12.872 647 2HD2 ASN 79 HD2 ASN 79 -5.367 0.638 11.181 648 H VAL 80 H VAL 80 -9.758 2.197 14.077 649 HA VAL 80 HA VAL 80 -10.558 2.438 16.872 650 HB VAL 80 HB VAL 80 -12.073 2.912 14.261 651 1HG1 VAL 80 HG1 VAL 80 -13.625 2.534 16.120 652 2HG1 VAL 80 HG1 VAL 80 -12.704 3.652 17.154 653 3HG1 VAL 80 HG1 VAL 80 -13.584 4.270 15.736 654 1HG2 VAL 80 HG2 VAL 80 -10.128 4.398 14.498 655 2HG2 VAL 80 HG2 VAL 80 -11.622 5.315 14.795 656 3HG2 VAL 80 HG2 VAL 80 -10.608 4.798 16.165 657 H ARG 81 H ARG 81 -11.819 0.672 13.989 658 HA ARG 81 HA ARG 81 -12.327 -1.704 15.571 659 1HB ARG 81 H ARG 81 -14.303 -0.252 16.128 660 2HB ARG 81 H ARG 81 -14.691 -0.165 14.396 661 1HG ARG 81 H ARG 81 -16.068 -1.897 15.389 662 2HG ARG 81 H ARG 81 -14.846 -2.698 14.381 663 1HD ARG 81 H ARG 81 -13.537 -3.322 16.290 664 2HD ARG 81 H ARG 81 -14.442 -2.237 17.363 665 HE ARG 81 H ARG 81 -15.185 -4.930 16.517 666 1HH1 ARG 81 H ARG 81 -16.414 -1.800 17.640 667 2HH1 ARG 81 H ARG 81 -17.847 -2.475 18.377 668 1HH2 ARG 81 H ARG 81 -17.091 -5.809 17.474 669 2HH2 ARG 81 H ARG 81 -18.246 -4.758 18.259 Start of MODEL 9 1 1H ALA 1 H1 ALA 1 9.688 25.389 -7.416 2 2H ALA 1 H2 ALA 1 9.490 25.308 -5.780 3 3H ALA 1 H3 ALA 1 8.631 24.302 -6.763 4 HA ALA 1 HA ALA 1 8.377 27.221 -6.630 5 1HB ALA 1 HB1 ALA 1 6.487 26.934 -8.178 6 2HB ALA 1 HB2 ALA 1 7.990 26.315 -8.905 7 3HB ALA 1 HB3 ALA 1 6.788 25.181 -8.241 8 H LEU 2 H LEU 2 6.029 27.784 -6.019 9 HA LEU 2 HA LEU 2 5.483 26.788 -3.434 10 1HB LEU 2 HB1 LEU 2 4.746 28.995 -4.214 11 2HB LEU 2 HB2 LEU 2 3.696 28.241 -5.435 12 HG LEU 2 HG LEU 2 2.365 27.165 -3.623 13 1HD1 LEU 2 HD1 LEU 2 3.989 26.917 -1.856 14 2HD1 LEU 2 HD1 LEU 2 4.335 28.662 -1.843 15 3HD1 LEU 2 HD1 LEU 2 2.765 28.059 -1.262 16 1HD2 LEU 2 HD2 LEU 2 2.737 30.171 -3.258 17 2HD2 LEU 2 HD2 LEU 2 1.304 29.228 -2.782 18 3HD2 LEU 2 HD2 LEU 2 1.726 29.397 -4.502 19 H SER 3 H SER 3 4.863 24.766 -2.930 20 HA SER 3 HA SER 3 3.862 22.714 -3.026 21 1HB SER 3 HB1 SER 3 1.663 24.202 -4.527 22 2HB SER 3 HB2 SER 3 1.503 22.668 -3.641 23 HG SER 3 HG SER 3 2.213 25.193 -2.548 24 H GLY 4 H GLY 4 5.758 23.403 -5.138 25 1HA GLY 4 HA2 GLY 4 4.709 22.357 -7.651 26 2HA GLY 4 HA1 GLY 4 6.393 22.784 -7.277 27 H SER 5 H SER 5 3.872 20.373 -6.394 28 HA SER 5 HA SER 5 3.938 18.097 -6.212 29 1HB SER 5 HB1 SER 5 6.787 18.119 -7.271 30 2HB SER 5 HB2 SER 5 5.598 16.801 -7.329 31 HG SER 5 HG SER 5 4.309 18.197 -8.664 32 H SER 6 H SER 6 4.247 16.804 -4.462 33 HA SER 6 HA SER 6 6.683 16.961 -2.862 34 1HB SER 6 HB1 SER 6 5.426 18.955 -2.070 35 2HB SER 6 HB2 SER 6 4.030 17.919 -1.694 36 HG SER 6 HG SER 6 5.339 16.802 -0.218 37 H GLY 7 H GLY 7 3.187 16.030 -2.727 38 1HA GLY 7 HA1 GLY 7 3.849 13.536 -1.342 39 2HA GLY 7 HA2 GLY 7 2.237 14.112 -1.815 40 H TYR 8 H TYR 8 5.209 13.606 -3.803 41 HA TYR 8 HA TYR 8 3.611 12.035 -5.721 42 1HB TYR 8 HB1 TYR 8 5.640 12.212 -7.130 43 2HB TYR 8 HB2 TYR 8 5.051 13.793 -6.593 44 HD1 TYR 8 HD1 TYR 8 7.717 11.234 -6.131 45 HD2 TYR 8 HD2 TYR 8 6.372 15.203 -5.141 46 HE1 TYR 8 HE1 TYR 8 9.954 11.763 -5.200 47 HE2 TYR 8 HE2 TYR 8 8.609 15.729 -4.210 48 HH TYR 8 HH TYR 8 10.730 14.968 -3.807 49 H LYS 9 H LYS 9 4.875 11.264 -2.906 50 HA LYS 9 HA LYS 9 5.485 8.497 -3.683 51 1HB LYS 9 H LYS 9 7.516 10.490 -2.840 52 2HB LYS 9 H LYS 9 7.505 9.019 -1.842 53 1HG LYS 9 H LYS 9 7.826 7.606 -3.772 54 2HG LYS 9 H LYS 9 7.539 8.957 -4.883 55 1HD LYS 9 H LYS 9 9.827 9.047 -4.931 56 2HD LYS 9 H LYS 9 9.605 9.998 -3.446 57 1HE LYS 9 H LYS 9 10.035 6.976 -3.535 58 2HE LYS 9 H LYS 9 11.313 8.168 -3.224 59 1HZ LYS 9 H LYS 9 8.927 7.706 -1.581 60 2HZ LYS 9 H LYS 9 10.030 8.903 -1.317 61 3HZ LYS 9 H LYS 9 10.482 7.321 -1.194 62 H PHE 10 H PHE 10 5.796 10.782 -0.930 63 HA PHE 10 HA PHE 10 4.951 8.887 1.022 64 1HB PHE 10 HB2 PHE 10 4.627 11.855 1.399 65 2HB PHE 10 HB1 PHE 10 5.222 10.634 2.535 66 HD1 PHE 10 HD1 PHE 10 6.153 13.245 0.291 67 HD2 PHE 10 HD2 PHE 10 7.502 9.468 1.869 68 HE1 PHE 10 HE1 PHE 10 8.483 13.809 -0.356 69 HE2 PHE 10 HE2 PHE 10 9.836 10.038 1.227 70 HZ PHE 10 HZ PHE 10 10.324 12.206 0.108 71 H GLY 11 H GLY 11 3.237 11.484 -0.781 72 1HA GLY 11 HA2 GLY 11 0.734 11.229 0.558 73 2HA GLY 11 HA1 GLY 11 0.996 11.906 -1.066 74 H VAL 12 H VAL 12 2.042 9.744 -2.450 75 HA VAL 12 HA VAL 12 -0.282 8.263 -3.127 76 HB VAL 12 HB VAL 12 2.637 7.539 -3.674 77 1HG1 VAL 12 HG1 VAL 12 0.078 6.983 -5.238 78 2HG1 VAL 12 HG1 VAL 12 1.714 6.427 -5.654 79 3HG1 VAL 12 HG1 VAL 12 0.904 5.795 -4.202 80 1HG2 VAL 12 HG2 VAL 12 0.717 9.438 -5.098 81 2HG2 VAL 12 HG2 VAL 12 2.212 8.813 -5.833 82 3HG2 VAL 12 HG2 VAL 12 2.296 9.837 -4.383 83 H LEU 13 H LEU 13 2.617 7.421 -1.162 84 HA LEU 13 HA LEU 13 1.905 4.744 -0.594 85 1HB LEU 13 HB2 LEU 13 4.137 5.665 -0.200 86 2HB LEU 13 HB1 LEU 13 3.493 6.781 1.021 87 HG LEU 13 HG LEU 13 2.810 4.857 2.431 88 1HD1 LEU 13 HD1 LEU 13 3.819 2.579 1.699 89 2HD1 LEU 13 HD1 LEU 13 2.333 3.113 0.885 90 3HD1 LEU 13 HD1 LEU 13 3.903 3.289 0.070 91 1HD2 LEU 13 HD2 LEU 13 5.052 5.822 2.734 92 2HD2 LEU 13 HD2 LEU 13 5.702 4.753 1.470 93 3HD2 LEU 13 HD2 LEU 13 5.103 4.063 2.996 94 H ALA 14 H ALA 14 1.184 7.805 1.169 95 HA ALA 14 HA ALA 14 -0.162 6.626 3.366 96 1HB ALA 14 HB1 ALA 14 -0.618 9.324 2.020 97 2HB ALA 14 HB2 ALA 14 -1.156 8.871 3.654 98 3HB ALA 14 HB3 ALA 14 0.582 8.980 3.288 99 H LYS 15 H LYS 15 -1.329 7.612 0.104 100 HA LYS 15 HA LYS 15 -4.089 7.191 0.609 101 1HB LYS 15 H LYS 15 -3.048 8.428 -1.321 102 2HB LYS 15 H LYS 15 -2.571 6.860 -2.012 103 1HG LYS 15 H LYS 15 -4.723 6.324 -2.623 104 2HG LYS 15 H LYS 15 -5.433 7.108 -1.194 105 1HD LYS 15 H LYS 15 -6.040 8.345 -3.243 106 2HD LYS 15 H LYS 15 -5.010 9.334 -2.183 107 1HE LYS 15 H LYS 15 -4.305 9.523 -4.547 108 2HE LYS 15 H LYS 15 -3.032 8.782 -3.557 109 1HZ LYS 15 H LYS 15 -3.673 6.664 -4.375 110 2HZ LYS 15 H LYS 15 -4.948 7.290 -5.213 111 3HZ LYS 15 H LYS 15 -3.403 7.659 -5.657 112 H ILE 16 H ILE 16 -1.466 5.018 -0.565 113 HA ILE 16 HA ILE 16 -3.148 2.762 -1.060 114 HB ILE 16 HB ILE 16 -0.191 2.985 -0.367 115 1HG1 ILE 16 HG1 ILE 16 -1.531 2.394 -3.041 116 2HG1 ILE 16 HG1 ILE 16 -1.117 4.041 -2.517 117 1HG2 ILE 16 HG2 ILE 16 -1.880 0.616 -1.275 118 2HG2 ILE 16 HG2 ILE 16 -0.106 0.648 -1.376 119 3HG2 ILE 16 HG2 ILE 16 -0.903 0.743 0.206 120 1HD1 ILE 16 HD1 ILE 16 0.738 3.286 -3.830 121 2HD1 ILE 16 HD1 ILE 16 1.269 3.180 -2.138 122 3HD1 ILE 16 HD1 ILE 16 0.776 1.711 -3.010 123 H VAL 17 H VAL 17 -1.118 3.651 1.780 124 HA VAL 17 HA VAL 17 -1.761 1.439 3.394 125 HB VAL 17 HB VAL 17 -0.927 4.303 3.939 126 1HG1 VAL 17 HG1 VAL 17 -0.545 3.555 6.325 127 2HG1 VAL 17 HG1 VAL 17 -2.256 3.746 5.888 128 3HG1 VAL 17 HG1 VAL 17 -1.536 2.119 5.977 129 1HG2 VAL 17 HG2 VAL 17 0.680 2.630 2.983 130 2HG2 VAL 17 HG2 VAL 17 0.414 1.604 4.414 131 3HG2 VAL 17 HG2 VAL 17 1.162 3.209 4.595 132 H ASN 18 H ASN 18 -3.428 4.616 3.055 133 HA ASN 18 HA ASN 18 -5.386 4.125 5.073 134 1HB ASN 18 HB2 ASN 18 -4.888 6.363 4.202 135 2HB ASN 18 HB1 ASN 18 -5.446 5.887 2.585 136 1HD2 ASN 18 HD2 ASN 18 -6.463 6.471 5.956 137 2HD2 ASN 18 HD2 ASN 18 -8.158 6.715 5.601 138 H TYR 19 H TYR 19 -5.387 3.595 1.505 139 HA TYR 19 HA TYR 19 -8.071 2.690 1.315 140 1HB TYR 19 HB2 TYR 19 -7.247 3.100 -0.773 141 2HB TYR 19 HB1 TYR 19 -5.600 2.616 -0.335 142 HD1 TYR 19 HD1 TYR 19 -8.993 1.027 -0.725 143 HD2 TYR 19 HD2 TYR 19 -4.745 0.709 -1.322 144 HE1 TYR 19 HE1 TYR 19 -9.303 -1.184 -1.788 145 HE2 TYR 19 HE2 TYR 19 -5.066 -1.503 -2.384 146 HH TYR 19 HH TYR 19 -8.238 -2.848 -3.113 147 H MET 20 H MET 20 -5.009 0.754 1.472 148 HA MET 20 HA MET 20 -6.217 -1.782 1.606 149 1HB MET 20 HB2 MET 20 -3.591 -0.732 2.737 150 2HB MET 20 HB1 MET 20 -4.049 -2.448 2.730 151 1HG MET 20 HG1 MET 20 -4.335 -2.356 0.268 152 2HG MET 20 HG2 MET 20 -3.835 -0.662 0.284 153 1HE MET 20 HE1 MET 20 -1.121 -4.312 1.108 154 2HE MET 20 HE2 MET 20 -2.841 -4.369 0.657 155 3HE MET 20 HE3 MET 20 -2.361 -3.806 2.276 156 H LYS 21 H LYS 21 -5.459 0.569 4.210 157 HA LYS 21 HA LYS 21 -6.130 -1.116 6.398 158 1HB LYS 21 H LYS 21 -4.940 0.976 6.714 159 2HB LYS 21 H LYS 21 -6.284 1.902 6.016 160 1HG LYS 21 H LYS 21 -7.744 1.294 7.865 161 2HG LYS 21 H LYS 21 -6.514 0.192 8.529 162 1HD LYS 21 H LYS 21 -5.255 1.906 9.396 163 2HD LYS 21 H LYS 21 -5.638 3.008 8.050 164 1HE LYS 21 H LYS 21 -7.850 3.440 8.947 165 2HE LYS 21 H LYS 21 -7.628 2.208 10.210 166 1HZ LYS 21 H LYS 21 -6.066 4.681 9.941 167 2HZ LYS 21 H LYS 21 -5.871 3.541 11.117 168 3HZ LYS 21 H LYS 21 -7.268 4.415 11.039 169 H THR 22 H THR 22 -8.126 1.249 4.525 170 HA THR 22 HA THR 22 -10.530 0.830 5.965 171 HB THR 22 HB THR 22 -10.146 1.587 3.031 172 HG1 THR 22 HG1 THR 22 -9.039 2.991 4.362 173 1HG2 THR 22 HG2 THR 22 -12.334 2.767 3.395 174 2HG2 THR 22 HG2 THR 22 -12.445 1.999 4.997 175 3HG2 THR 22 HG2 THR 22 -12.472 0.999 3.524 176 H ARG 23 H ARG 23 -9.269 -0.781 2.977 177 HA ARG 23 HA ARG 23 -11.522 -2.461 2.566 178 1HB ARG 23 H ARG 23 -9.809 -2.088 0.851 179 2HB ARG 23 H ARG 23 -8.580 -2.879 1.868 180 1HG ARG 23 H ARG 23 -9.645 -5.001 1.687 181 2HG ARG 23 H ARG 23 -11.140 -4.290 1.046 182 1HD ARG 23 H ARG 23 -8.493 -4.057 -0.424 183 2HD ARG 23 H ARG 23 -9.538 -5.474 -0.623 184 HE ARG 23 H ARG 23 -9.865 -2.953 -1.897 185 1HH1 ARG 23 H ARG 23 -11.656 -5.756 -0.700 186 2HH1 ARG 23 H ARG 23 -13.208 -5.163 -1.248 187 1HH2 ARG 23 H ARG 23 -11.888 -2.241 -2.748 188 2HH2 ARG 23 H ARG 23 -13.325 -3.216 -2.499 189 H HIS 24 H HIS 24 -8.498 -2.931 4.451 190 HA HIS 24 HA HIS 24 -8.994 -5.590 5.307 191 1HB HIS 24 HB2 HIS 24 -6.840 -4.327 5.437 192 2HB HIS 24 HB1 HIS 24 -7.526 -3.356 6.748 193 HD1 HIS 24 HD1 HIS 24 -6.047 -6.738 5.979 194 HD2 HIS 24 HD2 HIS 24 -7.767 -4.739 9.223 195 HE1 HIS 24 HE1 HIS 24 -5.534 -8.083 8.079 196 H GLN 25 H GLN 25 -10.079 -2.426 6.531 197 HA GLN 25 HA GLN 25 -11.292 -3.557 8.930 198 1HB GLN 25 HB2 GLN 25 -11.284 -0.829 7.586 199 2HB GLN 25 HB1 GLN 25 -12.242 -1.161 9.041 200 1HG GLN 25 HG2 GLN 25 -9.247 -1.684 8.848 201 2HG GLN 25 HG1 GLN 25 -9.941 -0.175 9.473 202 1HE2 GLN 25 HE2 GLN 25 -8.733 -3.160 10.369 203 2HE2 GLN 25 HE2 GLN 25 -9.516 -3.336 11.922 204 H ARG 26 H ARG 26 -12.144 -4.231 5.890 205 HA ARG 26 HA ARG 26 -15.070 -4.020 6.472 206 1HB ARG 26 H ARG 26 -13.570 -3.505 3.879 207 2HB ARG 26 H ARG 26 -15.312 -3.857 3.925 208 1HG ARG 26 H ARG 26 -15.752 -1.917 5.299 209 2HG ARG 26 H ARG 26 -14.017 -1.631 5.554 210 1HD ARG 26 H ARG 26 -14.865 -0.082 3.859 211 2HD ARG 26 H ARG 26 -13.738 -1.237 3.113 212 HE ARG 26 H ARG 26 -16.416 -2.237 2.925 213 1HH1 ARG 26 H ARG 26 -14.298 0.282 1.617 214 2HH1 ARG 26 H ARG 26 -15.107 0.351 0.070 215 1HH2 ARG 26 H ARG 26 -17.489 -2.133 0.884 216 2HH2 ARG 26 H ARG 26 -16.937 -1.017 -0.343 217 H GLY 27 H GLY 27 -13.086 -6.207 7.019 218 1HA GLY 27 HA2 GLY 27 -13.487 -8.512 7.101 219 2HA GLY 27 HA1 GLY 27 -14.672 -8.357 5.787 220 H ASP 28 H ASP 28 -12.887 -6.856 4.008 221 HA ASP 28 HA ASP 28 -11.511 -9.099 2.769 222 1HB ASP 28 H ASP 28 -12.721 -7.273 1.560 223 2HB ASP 28 H ASP 28 -11.483 -6.134 2.110 224 H THR 29 H THR 29 -10.117 -9.593 4.651 225 HA THR 29 HA THR 29 -7.915 -7.670 5.147 226 HB THR 29 HB THR 29 -7.378 -9.244 7.004 227 HG1 THR 29 HG1 THR 29 -8.952 -10.903 7.378 228 1HG2 THR 29 HG2 THR 29 -8.984 -7.375 7.337 229 2HG2 THR 29 HG2 THR 29 -10.321 -8.457 6.897 230 3HG2 THR 29 HG2 THR 29 -9.366 -8.773 8.362 231 H HIS 30 H HIS 30 -8.572 -10.159 2.957 232 HA HIS 30 HA HIS 30 -6.138 -11.663 3.149 233 1HB HIS 30 HB2 HIS 30 -6.963 -12.880 1.371 234 2HB HIS 30 HB1 HIS 30 -8.460 -12.198 2.021 235 HD1 HIS 30 HD1 HIS 30 -8.803 -9.529 0.812 236 HD2 HIS 30 HD2 HIS 30 -7.038 -12.645 -1.357 237 HE1 HIS 30 HE1 HIS 30 -9.020 -8.973 -1.646 238 HA PRO 31 HA PRO 31 -3.230 -9.123 1.058 239 1HB PRO 31 HB2 PRO 31 -2.095 -11.191 -0.592 240 2HB PRO 31 HB1 PRO 31 -1.460 -10.552 0.939 241 1HG PRO 31 HG2 PRO 31 -2.680 -13.119 0.438 242 2HG PRO 31 HG1 PRO 31 -2.092 -12.473 1.994 243 1HD PRO 31 HD2 PRO 31 -4.830 -12.799 1.088 244 2HD PRO 31 HD1 PRO 31 -4.233 -12.263 2.685 245 H LEU 32 H LEU 32 -2.671 -8.122 -0.979 246 HA LEU 32 HA LEU 32 -4.262 -8.963 -3.356 247 1HB LEU 32 HB2 LEU 32 -4.222 -6.259 -1.973 248 2HB LEU 32 HB1 LEU 32 -4.522 -6.381 -3.717 249 HG LEU 32 HG LEU 32 -6.169 -7.693 -1.502 250 1HD1 LEU 32 HD1 LEU 32 -6.810 -5.509 -3.544 251 2HD1 LEU 32 HD1 LEU 32 -6.488 -5.240 -1.811 252 3HD1 LEU 32 HD1 LEU 32 -7.926 -6.157 -2.314 253 1HD2 LEU 32 HD2 LEU 32 -7.709 -8.159 -3.551 254 2HD2 LEU 32 HD2 LEU 32 -6.303 -9.219 -3.328 255 3HD2 LEU 32 HD2 LEU 32 -6.250 -7.911 -4.528 256 H THR 33 H THR 33 -3.172 -8.664 -5.306 257 HA THR 33 HA THR 33 -0.333 -8.272 -5.316 258 HB THR 33 HB THR 33 -0.587 -8.179 -7.787 259 HG1 THR 33 HG1 THR 33 -3.373 -8.248 -7.250 260 1HG2 THR 33 HG2 THR 33 -1.831 -10.347 -8.094 261 2HG2 THR 33 HG2 THR 33 -0.597 -10.395 -6.819 262 3HG2 THR 33 HG2 THR 33 -2.318 -10.260 -6.387 263 H LEU 34 H LEU 34 0.764 -6.597 -6.710 264 HA LEU 34 HA LEU 34 0.364 -3.978 -5.725 265 1HB LEU 34 HB2 LEU 34 2.402 -5.167 -6.895 266 2HB LEU 34 HB1 LEU 34 1.661 -4.596 -8.403 267 HG LEU 34 HG LEU 34 2.347 -2.759 -6.051 268 1HD1 LEU 34 HD1 LEU 34 3.900 -3.259 -8.621 269 2HD1 LEU 34 HD1 LEU 34 4.329 -2.120 -7.322 270 3HD1 LEU 34 HD1 LEU 34 4.362 -3.870 -7.016 271 1HD2 LEU 34 HD2 LEU 34 1.380 -2.358 -8.894 272 2HD2 LEU 34 HD2 LEU 34 2.296 -1.089 -8.048 273 3HD2 LEU 34 HD2 LEU 34 0.751 -1.655 -7.385 274 H ASP 35 H ASP 35 -0.471 -5.444 -8.924 275 HA ASP 35 HA ASP 35 -1.691 -3.210 -10.097 276 1HB ASP 35 H ASP 35 -2.400 -6.156 -10.403 277 2HB ASP 35 H ASP 35 -2.808 -4.860 -11.548 278 H GLU 36 H GLU 36 -3.227 -5.818 -8.097 279 HA GLU 36 HA GLU 36 -5.885 -4.878 -8.271 280 1HB GLU 36 H GLU 36 -4.358 -6.454 -6.189 281 2HB GLU 36 H GLU 36 -6.075 -6.045 -5.970 282 1HG GLU 36 H GLU 36 -6.688 -7.173 -8.023 283 2HG GLU 36 H GLU 36 -4.988 -7.409 -8.469 284 H ILE 37 H ILE 37 -3.175 -3.807 -6.209 285 HA ILE 37 HA ILE 37 -4.831 -2.094 -4.555 286 HB ILE 37 HB ILE 37 -1.838 -2.365 -5.038 287 1HG1 ILE 37 HG1 ILE 37 -3.359 -2.774 -2.452 288 2HG1 ILE 37 HG1 ILE 37 -3.326 -4.051 -3.685 289 1HG2 ILE 37 HG2 ILE 37 -2.183 -0.017 -4.541 290 2HG2 ILE 37 HG2 ILE 37 -3.323 -0.411 -3.236 291 3HG2 ILE 37 HG2 ILE 37 -1.599 -0.805 -3.062 292 1HD1 ILE 37 HD1 ILE 37 -1.518 -4.386 -2.057 293 2HD1 ILE 37 HD1 ILE 37 -0.892 -2.756 -2.383 294 3HD1 ILE 37 HD1 ILE 37 -0.839 -3.998 -3.654 295 H LEU 38 H LEU 38 -2.678 -1.577 -7.430 296 HA LEU 38 HA LEU 38 -2.698 1.187 -7.599 297 1HB LEU 38 HB2 LEU 38 -3.000 -0.833 -9.862 298 2HB LEU 38 HB1 LEU 38 -2.642 0.876 -10.097 299 HG LEU 38 HG LEU 38 -0.915 -1.236 -8.829 300 1HD1 LEU 38 HD1 LEU 38 0.672 -0.572 -10.518 301 2HD1 LEU 38 HD1 LEU 38 -0.900 -0.812 -11.312 302 3HD1 LEU 38 HD1 LEU 38 -0.321 0.835 -10.963 303 1HD2 LEU 38 HD2 LEU 38 -0.636 1.779 -8.599 304 2HD2 LEU 38 HD2 LEU 38 -0.658 0.594 -7.276 305 3HD2 LEU 38 HD2 LEU 38 0.734 0.676 -8.380 306 H ASP 39 H ASP 39 -5.144 -0.959 -9.165 307 HA ASP 39 HA ASP 39 -6.748 0.952 -10.325 308 1HB ASP 39 H ASP 39 -7.025 -1.476 -10.583 309 2HB ASP 39 H ASP 39 -7.624 -1.599 -8.914 310 H GLU 40 H GLU 40 -7.273 -0.360 -6.994 311 HA GLU 40 HA GLU 40 -9.461 1.372 -6.432 312 1HB GLU 40 H GLU 40 -7.550 -0.159 -4.629 313 2HB GLU 40 H GLU 40 -9.039 0.639 -4.073 314 1HG GLU 40 H GLU 40 -10.093 -0.729 -6.135 315 2HG GLU 40 H GLU 40 -8.702 -1.786 -5.826 316 H THR 41 H THR 41 -5.967 1.878 -6.245 317 HA THR 41 HA THR 41 -6.356 4.466 -4.819 318 HB THR 41 HB THR 41 -3.868 4.456 -4.762 319 HG1 THR 41 HG1 THR 41 -4.250 1.798 -5.665 320 1HG2 THR 41 HG2 THR 41 -4.987 3.773 -2.778 321 2HG2 THR 41 HG2 THR 41 -3.773 2.514 -3.097 322 3HG2 THR 41 HG2 THR 41 -5.477 2.219 -3.500 323 H GLN 42 H GLN 42 -7.053 3.655 -7.765 324 HA GLN 42 HA GLN 42 -7.125 4.765 -9.753 325 1HB GLN 42 HB2 GLN 42 -7.251 6.873 -8.439 326 2HB GLN 42 HB1 GLN 42 -5.485 6.971 -8.415 327 1HG GLN 42 HG2 GLN 42 -6.803 6.632 -11.083 328 2HG GLN 42 HG1 GLN 42 -6.965 8.206 -10.281 329 1HE2 GLN 42 HE2 GLN 42 -5.269 6.881 -12.641 330 2HE2 GLN 42 HE2 GLN 42 -3.690 7.591 -12.393 331 H HIS 43 H HIS 43 -3.918 6.091 -8.981 332 HA HIS 43 HA HIS 43 -1.951 5.825 -10.207 333 1HB HIS 43 HB1 HIS 43 -2.409 3.039 -9.086 334 2HB HIS 43 HB2 HIS 43 -0.846 3.790 -9.448 335 HD1 HIS 43 HD1 HIS 43 -1.031 2.781 -6.689 336 HD2 HIS 43 HD2 HIS 43 -2.590 6.526 -7.643 337 HE1 HIS 43 HE1 HIS 43 -1.252 4.125 -4.560 338 H LEU 44 H LEU 44 -2.112 2.463 -10.725 339 HA LEU 44 HA LEU 44 -2.281 1.079 -12.491 340 1HB LEU 44 HB2 LEU 44 -4.327 3.129 -13.170 341 2HB LEU 44 HB1 LEU 44 -3.760 2.105 -14.506 342 HG LEU 44 HG LEU 44 -4.449 0.834 -11.838 343 1HD1 LEU 44 HD1 LEU 44 -6.423 1.616 -14.044 344 2HD1 LEU 44 HD1 LEU 44 -6.404 2.242 -12.378 345 3HD1 LEU 44 HD1 LEU 44 -6.789 0.530 -12.682 346 1HD2 LEU 44 HD2 LEU 44 -4.687 -0.067 -14.753 347 2HD2 LEU 44 HD2 LEU 44 -5.009 -1.068 -13.317 348 3HD2 LEU 44 HD2 LEU 44 -3.360 -0.492 -13.646 349 H ASP 45 H ASP 45 -2.138 4.355 -14.053 350 HA ASP 45 HA ASP 45 -0.189 3.553 -15.977 351 1HB ASP 45 H ASP 45 -1.432 5.593 -16.317 352 2HB ASP 45 H ASP 45 -0.918 6.245 -14.748 353 H ILE 46 H ILE 46 0.255 5.714 -13.174 354 HA ILE 46 HA ILE 46 1.960 6.153 -11.775 355 HB ILE 46 HB ILE 46 0.943 4.232 -10.720 356 1HG1 ILE 46 HG1 ILE 46 3.951 3.998 -10.445 357 2HG1 ILE 46 HG1 ILE 46 3.038 5.392 -9.829 358 1HG2 ILE 46 HG2 ILE 46 1.215 2.492 -12.378 359 2HG2 ILE 46 HG2 ILE 46 2.061 1.988 -10.913 360 3HG2 ILE 46 HG2 ILE 46 2.986 2.614 -12.290 361 1HD1 ILE 46 HD1 ILE 46 3.264 3.864 -7.994 362 2HD1 ILE 46 HD1 ILE 46 1.583 3.721 -8.556 363 3HD1 ILE 46 HD1 ILE 46 2.780 2.479 -8.994 364 H GLY 47 H GLY 47 4.051 6.697 -11.597 365 1HA GLY 47 HA2 GLY 47 5.799 6.294 -13.824 366 2HA GLY 47 HA1 GLY 47 6.246 6.970 -12.239 367 H LEU 48 H LEU 48 7.420 4.782 -14.172 368 HA LEU 48 HA LEU 48 7.263 2.250 -13.008 369 1HB LEU 48 HB2 LEU 48 8.395 2.725 -15.144 370 2HB LEU 48 HB1 LEU 48 9.653 3.648 -14.293 371 HG LEU 48 HG LEU 48 10.308 1.578 -13.049 372 1HD1 LEU 48 HD1 LEU 48 8.124 0.354 -14.788 373 2HD1 LEU 48 HD1 LEU 48 9.397 -0.613 -14.006 374 3HD1 LEU 48 HD1 LEU 48 8.253 0.315 -13.013 375 1HD2 LEU 48 HD2 LEU 48 11.426 2.193 -15.176 376 2HD2 LEU 48 HD2 LEU 48 10.218 1.248 -16.080 377 3HD2 LEU 48 HD2 LEU 48 11.343 0.427 -14.971 378 H LYS 49 H LYS 49 9.329 5.039 -12.108 379 HA LYS 49 HA LYS 49 10.893 3.738 -10.139 380 1HB LYS 49 H LYS 49 9.973 6.628 -10.427 381 2HB LYS 49 H LYS 49 11.194 6.080 -9.253 382 1HG LYS 49 H LYS 49 12.664 5.313 -11.027 383 2HG LYS 49 H LYS 49 11.407 5.577 -12.256 384 1HD LYS 49 H LYS 49 12.923 7.440 -12.400 385 2HD LYS 49 H LYS 49 11.437 8.043 -11.631 386 1HE LYS 49 H LYS 49 12.464 7.903 -9.421 387 2HE LYS 49 H LYS 49 13.904 7.108 -10.095 388 1HZ LYS 49 H LYS 49 13.011 9.844 -10.695 389 2HZ LYS 49 H LYS 49 14.339 9.106 -11.337 390 3HZ LYS 49 H LYS 49 14.275 9.428 -9.721 391 H GLN 50 H GLN 50 7.668 5.323 -9.956 392 HA GLN 50 HA GLN 50 7.420 5.139 -7.102 393 1HB GLN 50 HB2 GLN 50 5.284 5.269 -9.268 394 2HB GLN 50 HB1 GLN 50 5.017 5.554 -7.539 395 1HG GLN 50 HG2 GLN 50 6.549 7.474 -7.598 396 2HG GLN 50 HG1 GLN 50 6.905 7.162 -9.311 397 1HE2 GLN 50 HE2 GLN 50 5.013 8.997 -7.212 398 2HE2 GLN 50 HE2 GLN 50 3.733 9.443 -8.321 399 H LYS 51 H LYS 51 5.920 3.169 -9.748 400 HA LYS 51 HA LYS 51 4.710 1.182 -8.203 401 1HB LYS 51 H LYS 51 4.476 1.485 -10.644 402 2HB LYS 51 H LYS 51 6.143 0.923 -10.888 403 1HG LYS 51 H LYS 51 5.584 -1.277 -10.570 404 2HG LYS 51 H LYS 51 4.426 -0.896 -9.276 405 1HD LYS 51 H LYS 51 3.240 -1.797 -11.239 406 2HD LYS 51 H LYS 51 2.795 -0.099 -10.963 407 1HE LYS 51 H LYS 51 4.588 0.534 -12.671 408 2HE LYS 51 H LYS 51 4.724 -1.196 -13.049 409 1HZ LYS 51 H LYS 51 2.387 -1.174 -13.603 410 2HZ LYS 51 H LYS 51 2.291 0.442 -13.281 411 3HZ LYS 51 H LYS 51 3.225 -0.096 -14.530 412 H GLN 52 H GLN 52 8.116 1.226 -9.446 413 HA GLN 52 HA GLN 52 8.812 -1.304 -8.329 414 1HB GLN 52 HB2 GLN 52 10.029 -0.004 -10.151 415 2HB GLN 52 HB1 GLN 52 10.669 1.051 -8.871 416 1HG GLN 52 HG1 GLN 52 12.300 -0.704 -9.368 417 2HG GLN 52 HG2 GLN 52 11.640 -0.961 -7.741 418 1HE2 GLN 52 HE2 GLN 52 11.781 -3.171 -7.518 419 2HE2 GLN 52 HE2 GLN 52 10.997 -4.318 -8.581 420 H TRP 53 H TRP 53 9.242 2.072 -7.117 421 HA TRP 53 HA TRP 53 10.618 1.431 -4.738 422 1HB TRP 53 HB1 TRP 53 10.491 3.697 -5.483 423 2HB TRP 53 HB2 TRP 53 8.723 3.672 -5.490 424 HD1 TRP 53 HD1 TRP 53 11.548 3.303 -2.891 425 HE1 TRP 53 HE1 TRP 53 10.848 4.419 -0.678 426 HE3 TRP 53 HE3 TRP 53 6.826 4.762 -4.207 427 HZ2 TRP 53 HZ2 TRP 53 8.550 5.775 0.352 428 HZ3 TRP 53 HZ3 TRP 53 5.410 5.970 -2.581 429 HH2 TRP 53 HH2 TRP 53 6.265 6.494 -0.306 430 H LEU 54 H LEU 54 7.074 1.689 -5.373 431 HA LEU 54 HA LEU 54 6.183 1.225 -2.756 432 1HB LEU 54 HB2 LEU 54 4.992 0.480 -5.450 433 2HB LEU 54 HB1 LEU 54 4.129 0.251 -3.917 434 HG LEU 54 HG LEU 54 5.199 2.931 -4.909 435 1HD1 LEU 54 HD1 LEU 54 2.374 1.798 -4.902 436 2HD1 LEU 54 HD1 LEU 54 2.832 3.451 -5.379 437 3HD1 LEU 54 HD1 LEU 54 3.384 2.060 -6.341 438 1HD2 LEU 54 HD2 LEU 54 5.036 3.026 -2.531 439 2HD2 LEU 54 HD2 LEU 54 3.518 3.730 -3.120 440 3HD2 LEU 54 HD2 LEU 54 3.544 2.057 -2.516 441 H MET 55 H MET 55 6.829 -1.063 -5.407 442 HA MET 55 HA MET 55 6.021 -3.389 -4.102 443 1HB MET 55 HB2 MET 55 6.532 -3.029 -6.557 444 2HB MET 55 HB1 MET 55 8.260 -3.106 -6.159 445 1HG MET 55 HG1 MET 55 7.755 -5.374 -5.076 446 2HG MET 55 HG2 MET 55 6.170 -5.286 -5.859 447 1HE MET 55 HE1 MET 55 7.070 -5.324 -9.657 448 2HE MET 55 HE2 MET 55 6.878 -3.874 -8.645 449 3HE MET 55 HE3 MET 55 5.778 -5.258 -8.435 450 H THR 56 H THR 56 9.437 -2.109 -4.344 451 HA THR 56 HA THR 56 10.087 -4.001 -2.127 452 HB THR 56 HB THR 56 11.001 -4.832 -4.192 453 HG1 THR 56 HG1 THR 56 12.306 -4.885 -2.281 454 1HG2 THR 56 HG2 THR 56 12.707 -3.453 -5.447 455 2HG2 THR 56 HG2 THR 56 12.214 -2.049 -4.475 456 3HG2 THR 56 HG2 THR 56 11.046 -2.835 -5.561 457 H GLU 57 H GLU 57 9.222 -1.525 -1.337 458 HA GLU 57 HA GLU 57 11.493 -0.675 0.186 459 1HB GLU 57 H GLU 57 11.581 0.461 -2.298 460 2HB GLU 57 H GLU 57 10.579 1.643 -1.441 461 1HG GLU 57 H GLU 57 13.242 0.615 -0.389 462 2HG GLU 57 H GLU 57 13.067 2.099 -1.346 463 H ALA 58 H ALA 58 8.571 0.938 -1.195 464 HA ALA 58 HA ALA 58 7.892 2.230 1.248 465 1HB ALA 58 HB1 ALA 58 6.126 3.093 0.045 466 2HB ALA 58 HB2 ALA 58 7.168 2.573 -1.296 467 3HB ALA 58 HB3 ALA 58 5.794 1.558 -0.787 468 H LEU 59 H LEU 59 6.530 -0.712 -0.335 469 HA LEU 59 HA LEU 59 4.707 -1.183 1.891 470 1HB LEU 59 HB2 LEU 59 5.466 -2.858 -0.540 471 2HB LEU 59 HB1 LEU 59 4.130 -3.216 0.568 472 HG LEU 59 HG LEU 59 4.396 -0.664 -1.096 473 1HD1 LEU 59 HD1 LEU 59 3.918 -2.726 -2.426 474 2HD1 LEU 59 HD1 LEU 59 2.500 -3.029 -1.394 475 3HD1 LEU 59 HD1 LEU 59 2.557 -1.579 -2.425 476 1HD2 LEU 59 HD2 LEU 59 1.963 -0.397 -0.393 477 2HD2 LEU 59 HD2 LEU 59 2.245 -1.683 0.798 478 3HD2 LEU 59 HD2 LEU 59 3.151 -0.157 0.904 479 H VAL 60 H VAL 60 7.939 -2.268 0.918 480 HA VAL 60 HA VAL 60 7.984 -4.565 2.679 481 HB VAL 60 HB VAL 60 10.250 -2.975 1.391 482 1HG1 VAL 60 HG1 VAL 60 11.087 -4.373 3.211 483 2HG1 VAL 60 HG1 VAL 60 11.490 -5.149 1.661 484 3HG1 VAL 60 HG1 VAL 60 10.131 -5.759 2.635 485 1HG2 VAL 60 HG2 VAL 60 10.163 -4.939 -0.233 486 2HG2 VAL 60 HG2 VAL 60 8.796 -3.804 -0.331 487 3HG2 VAL 60 HG2 VAL 60 8.598 -5.369 0.494 488 H ASN 61 H ASN 61 8.721 -4.736 4.766 489 HA ASN 61 HA ASN 61 9.410 -4.148 6.856 490 1HB ASN 61 HB1 ASN 61 11.413 -3.169 6.757 491 2HB ASN 61 HB2 ASN 61 11.079 -2.594 5.117 492 1HD2 ASN 61 HD2 ASN 61 9.929 -0.479 4.896 493 2HD2 ASN 61 HD2 ASN 61 10.213 0.747 6.117 494 H ASN 62 H ASN 62 7.217 -2.268 5.046 495 HA ASN 62 HA ASN 62 6.638 -0.125 6.773 496 1HB ASN 62 HB1 ASN 62 5.805 -0.689 4.389 497 2HB ASN 62 HB2 ASN 62 4.563 -1.648 5.202 498 1HD2 ASN 62 HD2 ASN 62 5.220 1.343 3.897 499 2HD2 ASN 62 HD2 ASN 62 4.056 2.308 4.787 500 HA PRO 63 HA PRO 63 5.151 -2.484 10.262 501 1HB PRO 63 HB1 PRO 63 3.931 -0.208 11.501 502 2HB PRO 63 HB2 PRO 63 5.532 -0.916 11.854 503 1HG PRO 63 HG1 PRO 63 4.892 1.560 10.425 504 2HG PRO 63 HG2 PRO 63 6.483 0.959 10.969 505 1HD PRO 63 HD1 PRO 63 5.461 1.015 8.292 506 2HD PRO 63 HD2 PRO 63 6.993 0.284 8.859 507 H LYS 64 H LYS 64 3.218 -0.743 7.956 508 HA LYS 64 HA LYS 64 0.711 -1.847 9.150 509 1HB LYS 64 H LYS 64 1.163 0.458 7.213 510 2HB LYS 64 H LYS 64 -0.429 -0.127 7.749 511 1HG LYS 64 H LYS 64 0.118 0.397 10.080 512 2HG LYS 64 H LYS 64 1.766 0.883 9.616 513 1HD LYS 64 H LYS 64 0.865 2.707 8.229 514 2HD LYS 64 H LYS 64 -0.798 2.209 8.629 515 1HE LYS 64 H LYS 64 -0.439 2.704 10.987 516 2HE LYS 64 H LYS 64 1.286 3.027 10.700 517 1HZ LYS 64 H LYS 64 0.653 4.879 9.335 518 2HZ LYS 64 H LYS 64 0.014 5.039 10.847 519 3HZ LYS 64 H LYS 64 -0.948 4.579 9.590 520 H ILE 65 H ILE 65 2.980 -2.849 7.003 521 HA ILE 65 HA ILE 65 0.907 -4.177 5.325 522 HB ILE 65 HB ILE 65 3.535 -3.122 4.209 523 1HG1 ILE 65 HG1 ILE 65 1.888 -1.262 4.890 524 2HG1 ILE 65 HG1 ILE 65 2.395 -1.287 3.194 525 1HG2 ILE 65 HG2 ILE 65 2.786 -4.967 2.919 526 2HG2 ILE 65 HG2 ILE 65 1.085 -4.455 3.017 527 3HG2 ILE 65 HG2 ILE 65 2.240 -3.535 2.027 528 1HD1 ILE 65 HD1 ILE 65 -0.105 -0.951 3.596 529 2HD1 ILE 65 HD1 ILE 65 -0.157 -2.637 4.149 530 3HD1 ILE 65 HD1 ILE 65 0.325 -2.267 2.482 531 H GLU 66 H GLU 66 1.622 -6.218 4.436 532 HA GLU 66 HA GLU 66 4.171 -7.302 5.421 533 1HB GLU 66 H GLU 66 2.473 -7.763 7.219 534 2HB GLU 66 H GLU 66 1.491 -8.637 6.025 535 1HG GLU 66 H GLU 66 2.938 -10.149 7.414 536 2HG GLU 66 H GLU 66 3.279 -10.265 5.677 537 H VAL 67 H VAL 67 4.941 -8.980 4.103 538 HA VAL 67 HA VAL 67 3.504 -9.219 1.520 539 HB VAL 67 HB VAL 67 6.312 -10.070 2.347 540 1HG1 VAL 67 HG1 VAL 67 4.932 -9.862 -0.371 541 2HG1 VAL 67 HG1 VAL 67 6.663 -10.195 -0.127 542 3HG1 VAL 67 HG1 VAL 67 5.445 -11.364 0.434 543 1HG2 VAL 67 HG2 VAL 67 5.228 -7.617 0.895 544 2HG2 VAL 67 HG2 VAL 67 6.088 -7.646 2.452 545 3HG2 VAL 67 HG2 VAL 67 6.952 -8.059 0.953 546 H ILE 68 H ILE 68 1.992 -10.782 1.532 547 HA ILE 68 HA ILE 68 2.730 -13.431 2.712 548 HB ILE 68 HB ILE 68 0.007 -12.074 2.537 549 1HG1 ILE 68 HG1 ILE 68 1.502 -11.120 4.304 550 2HG1 ILE 68 HG1 ILE 68 0.082 -11.946 4.971 551 1HG2 ILE 68 HG2 ILE 68 -0.632 -14.086 4.019 552 2HG2 ILE 68 HG2 ILE 68 0.897 -14.822 3.478 553 3HG2 ILE 68 HG2 ILE 68 -0.363 -14.411 2.291 554 1HD1 ILE 68 HD1 ILE 68 2.091 -12.545 6.253 555 2HD1 ILE 68 HD1 ILE 68 1.471 -13.972 5.400 556 3HD1 ILE 68 HD1 ILE 68 2.897 -13.112 4.777 557 H ASP 69 H ASP 69 2.809 -15.054 1.281 558 HA ASP 69 HA ASP 69 2.598 -16.240 -0.658 559 1HB ASP 69 H ASP 69 0.204 -16.196 0.060 560 2HB ASP 69 H ASP 69 -0.043 -14.730 -0.903 561 H GLY 70 H GLY 70 3.712 -13.359 -0.625 562 1HA GLY 70 HA1 GLY 70 4.970 -12.328 -2.334 563 2HA GLY 70 HA2 GLY 70 3.962 -13.122 -3.563 564 H LYS 71 H LYS 71 1.424 -12.341 -2.121 565 HA LYS 71 HA LYS 71 1.132 -9.706 -3.351 566 1HB LYS 71 H LYS 71 -0.702 -11.712 -2.039 567 2HB LYS 71 H LYS 71 -1.236 -10.042 -2.215 568 1HG LYS 71 H LYS 71 -2.006 -11.316 -4.133 569 2HG LYS 71 H LYS 71 -0.763 -10.172 -4.642 570 1HD LYS 71 H LYS 71 -0.433 -12.359 -5.725 571 2HD LYS 71 H LYS 71 0.934 -11.954 -4.675 572 1HE LYS 71 H LYS 71 0.228 -14.322 -4.438 573 2HE LYS 71 H LYS 71 0.052 -13.434 -2.918 574 1HZ LYS 71 H LYS 71 -1.814 -14.846 -3.432 575 2HZ LYS 71 H LYS 71 -2.125 -13.970 -4.802 576 3HZ LYS 71 H LYS 71 -2.261 -13.257 -3.322 577 H TYR 72 H TYR 72 -0.073 -7.960 -1.997 578 HA TYR 72 HA TYR 72 1.449 -7.679 0.552 579 1HB TYR 72 HB1 TYR 72 0.166 -5.631 -1.283 580 2HB TYR 72 HB2 TYR 72 1.017 -5.257 0.227 581 HD1 TYR 72 HD1 TYR 72 3.461 -5.633 0.421 582 HD2 TYR 72 HD2 TYR 72 1.372 -6.226 -3.298 583 HE1 TYR 72 HE1 TYR 72 5.626 -5.631 -0.796 584 HE2 TYR 72 HE2 TYR 72 3.539 -6.228 -4.512 585 HH TYR 72 HH TYR 72 6.643 -5.630 -2.860 586 H ALA 73 H ALA 73 0.418 -7.790 2.416 587 HA ALA 73 HA ALA 73 -2.547 -7.398 2.472 588 1HB ALA 73 HB1 ALA 73 -1.929 -9.728 2.905 589 2HB ALA 73 HB2 ALA 73 -0.720 -9.218 4.105 590 3HB ALA 73 HB3 ALA 73 -2.456 -8.974 4.425 591 H PHE 74 H PHE 74 -3.335 -5.944 3.971 592 HA PHE 74 HA PHE 74 -1.504 -4.117 5.214 593 1HB PHE 74 HB2 PHE 74 -3.618 -3.262 4.641 594 2HB PHE 74 HB1 PHE 74 -4.479 -4.620 5.371 595 HD1 PHE 74 HD1 PHE 74 -4.709 -4.766 7.842 596 HD2 PHE 74 HD2 PHE 74 -2.937 -1.336 5.952 597 HE1 PHE 74 HE1 PHE 74 -5.078 -3.455 9.904 598 HE2 PHE 74 HE2 PHE 74 -3.281 -0.023 8.038 599 HZ PHE 74 HZ PHE 74 -4.369 -1.086 10.009 600 H LYS 75 H LYS 75 -0.457 -4.277 7.108 601 HA LYS 75 HA LYS 75 -0.752 -6.681 8.714 602 1HB LYS 75 H LYS 75 1.453 -5.736 8.263 603 2HB LYS 75 H LYS 75 0.977 -4.193 8.987 604 1HG LYS 75 H LYS 75 0.786 -5.172 11.180 605 2HG LYS 75 H LYS 75 0.940 -6.821 10.530 606 1HD LYS 75 H LYS 75 3.132 -4.766 10.098 607 2HD LYS 75 H LYS 75 3.042 -5.685 11.616 608 1HE LYS 75 H LYS 75 3.962 -7.489 10.634 609 2HE LYS 75 H LYS 75 2.702 -7.501 9.387 610 1HZ LYS 75 H LYS 75 3.984 -5.908 8.151 611 2HZ LYS 75 H LYS 75 4.883 -7.265 8.454 612 3HZ LYS 75 H LYS 75 5.152 -5.882 9.320 613 HA PRO 76 HA PRO 76 -3.830 -4.621 11.279 614 1HB PRO 76 HB2 PRO 76 -4.005 -6.782 13.106 615 2HB PRO 76 HB1 PRO 76 -5.066 -6.483 11.700 616 1HG PRO 76 HG1 PRO 76 -2.949 -8.499 12.029 617 2HG PRO 76 HG2 PRO 76 -4.213 -8.390 10.774 618 1HD PRO 76 HD1 PRO 76 -1.431 -7.769 10.504 619 2HD PRO 76 HD2 PRO 76 -2.724 -7.501 9.300 620 H LYS 77 H LYS 77 -1.197 -6.615 12.715 621 HA LYS 77 HA LYS 77 -0.193 -4.317 14.182 622 1HB LYS 77 H LYS 77 -0.363 -5.448 16.424 623 2HB LYS 77 H LYS 77 -1.917 -4.916 15.755 624 1HG LYS 77 H LYS 77 -2.250 -7.289 14.884 625 2HG LYS 77 H LYS 77 -0.816 -7.756 15.826 626 1HD LYS 77 H LYS 77 -1.941 -6.760 17.869 627 2HD LYS 77 H LYS 77 -3.413 -6.572 16.888 628 1HE LYS 77 H LYS 77 -1.951 -9.208 17.375 629 2HE LYS 77 H LYS 77 -3.409 -8.677 18.240 630 1HZ LYS 77 H LYS 77 -4.500 -8.567 16.067 631 2HZ LYS 77 H LYS 77 -3.164 -9.246 15.369 632 3HZ LYS 77 H LYS 77 -4.033 -10.091 16.490 633 H TYR 78 H TYR 78 -0.123 -7.931 13.978 634 HA TYR 78 HA TYR 78 2.523 -7.972 12.920 635 1HB TYR 78 HB2 TYR 78 3.640 -9.091 14.889 636 2HB TYR 78 HB1 TYR 78 3.361 -7.356 15.064 637 HD1 TYR 78 HD1 TYR 78 1.673 -6.497 16.660 638 HD2 TYR 78 HD2 TYR 78 2.529 -10.698 16.323 639 HE1 TYR 78 HE1 TYR 78 0.521 -6.905 18.821 640 HE2 TYR 78 HE2 TYR 78 1.374 -11.110 18.480 641 HH TYR 78 HH TYR 78 -0.032 -8.453 20.420 642 H ASN 79 H ASN 79 0.297 -9.818 15.086 643 HA ASN 79 HA ASN 79 -0.488 -11.969 14.979 644 1HB ASN 79 HB1 ASN 79 -0.419 -11.245 12.023 645 2HB ASN 79 HB2 ASN 79 -1.189 -12.712 12.661 646 1HD2 ASN 79 HD2 ASN 79 -3.206 -11.886 11.761 647 2HD2 ASN 79 HD2 ASN 79 -4.121 -10.682 12.643 648 H VAL 80 H VAL 80 1.897 -12.355 15.741 649 HA VAL 80 HA VAL 80 3.161 -14.318 13.875 650 HB VAL 80 HB VAL 80 4.463 -12.499 15.956 651 1HG1 VAL 80 HG1 VAL 80 5.635 -14.629 15.891 652 2HG1 VAL 80 HG1 VAL 80 5.595 -14.649 14.110 653 3HG1 VAL 80 HG1 VAL 80 6.592 -13.449 14.966 654 1HG2 VAL 80 HG2 VAL 80 3.854 -11.280 13.923 655 2HG2 VAL 80 HG2 VAL 80 4.556 -12.557 12.906 656 3HG2 VAL 80 HG2 VAL 80 5.610 -11.554 13.930 657 H ARG 81 H ARG 81 3.753 -16.303 14.751 658 HA ARG 81 HA ARG 81 2.451 -16.963 17.327 659 1HB ARG 81 H ARG 81 3.487 -18.542 14.951 660 2HB ARG 81 H ARG 81 3.175 -19.338 16.509 661 1HG ARG 81 H ARG 81 1.184 -19.526 15.107 662 2HG ARG 81 H ARG 81 0.833 -18.439 16.471 663 1HD ARG 81 H ARG 81 0.963 -16.498 15.096 664 2HD ARG 81 H ARG 81 1.786 -17.378 13.788 665 HE ARG 81 H ARG 81 -0.764 -18.561 14.233 666 1HH1 ARG 81 H ARG 81 0.685 -15.556 13.031 667 2HH1 ARG 81 H ARG 81 -0.609 -15.225 11.904 668 1HH2 ARG 81 H ARG 81 -2.485 -18.098 12.766 669 2HH2 ARG 81 H ARG 81 -2.428 -16.663 11.769 Start of MODEL 10 1 1H ALA 1 H1 ALA 1 -4.960 20.481 -9.532 2 2H ALA 1 H2 ALA 1 -3.638 20.856 -10.441 3 3H ALA 1 H3 ALA 1 -4.819 21.983 -10.202 4 HA ALA 1 HA ALA 1 -2.892 22.450 -8.864 5 1HB ALA 1 HB1 ALA 1 -4.078 22.686 -6.719 6 2HB ALA 1 HB2 ALA 1 -5.331 21.551 -7.274 7 3HB ALA 1 HB3 ALA 1 -5.139 23.129 -8.077 8 H LEU 2 H LEU 2 -1.812 21.822 -6.748 9 HA LEU 2 HA LEU 2 -1.792 18.938 -6.176 10 1HB LEU 2 HB1 LEU 2 0.810 19.013 -6.428 11 2HB LEU 2 HB2 LEU 2 -0.189 18.800 -7.878 12 HG LEU 2 HG LEU 2 -0.008 21.247 -8.360 13 1HD1 LEU 2 HD1 LEU 2 1.779 21.193 -5.889 14 2HD1 LEU 2 HD1 LEU 2 0.332 22.194 -6.158 15 3HD1 LEU 2 HD1 LEU 2 1.810 22.503 -7.092 16 1HD2 LEU 2 HD2 LEU 2 2.664 19.845 -7.928 17 2HD2 LEU 2 HD2 LEU 2 2.362 21.202 -9.038 18 3HD2 LEU 2 HD2 LEU 2 1.593 19.625 -9.333 19 H SER 3 H SER 3 -2.528 21.485 -4.806 20 HA SER 3 HA SER 3 -0.440 21.972 -2.831 21 1HB SER 3 HB1 SER 3 -2.262 23.388 -1.799 22 2HB SER 3 HB2 SER 3 -1.888 23.796 -3.491 23 HG SER 3 HG SER 3 -4.022 22.158 -2.565 24 H GLY 4 H GLY 4 -0.349 19.521 -2.412 25 1HA GLY 4 HA2 GLY 4 -2.411 18.719 -0.397 26 2HA GLY 4 HA1 GLY 4 -1.441 17.600 -1.380 27 H SER 5 H SER 5 -1.421 17.149 1.286 28 HA SER 5 HA SER 5 0.706 18.574 2.653 29 1HB SER 5 HB1 SER 5 -1.185 17.562 3.867 30 2HB SER 5 HB2 SER 5 -0.720 15.950 3.274 31 HG SER 5 HG SER 5 1.225 16.153 4.391 32 H SER 6 H SER 6 2.338 18.341 0.921 33 HA SER 6 HA SER 6 4.219 17.399 0.023 34 1HB SER 6 HB1 SER 6 4.082 15.556 2.450 35 2HB SER 6 HB2 SER 6 5.511 15.882 1.443 36 HG SER 6 HG SER 6 4.052 17.786 2.971 37 H GLY 7 H GLY 7 2.479 16.685 -1.610 38 1HA GLY 7 HA2 GLY 7 1.743 13.883 -1.632 39 2HA GLY 7 HA1 GLY 7 1.517 15.063 -2.946 40 H TYR 8 H TYR 8 2.165 12.971 -4.132 41 HA TYR 8 HA TYR 8 3.637 11.866 -5.473 42 1HB TYR 8 HB2 TYR 8 4.511 14.055 -6.112 43 2HB TYR 8 HB1 TYR 8 5.568 14.084 -4.694 44 HD1 TYR 8 HD1 TYR 8 7.671 12.948 -4.667 45 HD2 TYR 8 HD2 TYR 8 4.919 12.343 -7.926 46 HE1 TYR 8 HE1 TYR 8 9.441 11.762 -5.942 47 HE2 TYR 8 HE2 TYR 8 6.692 11.156 -9.199 48 HH TYR 8 HH TYR 8 8.864 10.442 -9.220 49 H LYS 9 H LYS 9 4.490 9.934 -5.021 50 HA LYS 9 HA LYS 9 5.536 8.234 -3.919 51 1HB LYS 9 H LYS 9 7.289 10.564 -3.324 52 2HB LYS 9 H LYS 9 7.414 9.213 -2.178 53 1HG LYS 9 H LYS 9 7.767 7.651 -4.054 54 2HG LYS 9 H LYS 9 7.624 8.996 -5.206 55 1HD LYS 9 H LYS 9 9.980 8.616 -4.877 56 2HD LYS 9 H LYS 9 9.575 10.106 -3.992 57 1HE LYS 9 H LYS 9 9.530 8.919 -1.877 58 2HE LYS 9 H LYS 9 9.648 7.348 -2.694 59 1HZ LYS 9 H LYS 9 11.742 8.046 -1.801 60 2HZ LYS 9 H LYS 9 11.715 9.435 -2.691 61 3HZ LYS 9 H LYS 9 11.824 7.973 -3.447 62 H PHE 10 H PHE 10 5.732 10.749 -1.382 63 HA PHE 10 HA PHE 10 4.872 9.051 0.696 64 1HB PHE 10 HB2 PHE 10 4.515 12.060 0.588 65 2HB PHE 10 HB1 PHE 10 4.818 11.051 2.007 66 HD1 PHE 10 HD1 PHE 10 6.291 13.157 -0.463 67 HD2 PHE 10 HD2 PHE 10 7.096 9.699 1.980 68 HE1 PHE 10 HE1 PHE 10 8.729 13.503 -0.775 69 HE2 PHE 10 HE2 PHE 10 9.536 10.050 1.667 70 HZ PHE 10 HZ PHE 10 10.352 11.952 0.287 71 H GLY 11 H GLY 11 3.079 11.434 -1.321 72 1HA GLY 11 HA2 GLY 11 0.572 11.209 -0.018 73 2HA GLY 11 HA1 GLY 11 0.831 11.708 -1.704 74 H VAL 12 H VAL 12 1.929 9.445 -2.853 75 HA VAL 12 HA VAL 12 -0.366 7.845 -3.353 76 HB VAL 12 HB VAL 12 2.593 7.610 -3.994 77 1HG1 VAL 12 HG1 VAL 12 0.355 5.643 -4.595 78 2HG1 VAL 12 HG1 VAL 12 1.837 5.734 -5.568 79 3HG1 VAL 12 HG1 VAL 12 1.931 5.310 -3.845 80 1HG2 VAL 12 HG2 VAL 12 1.186 9.302 -5.175 81 2HG2 VAL 12 HG2 VAL 12 0.088 8.003 -5.700 82 3HG2 VAL 12 HG2 VAL 12 1.772 8.035 -6.279 83 H LEU 13 H LEU 13 2.583 7.252 -1.364 84 HA LEU 13 HA LEU 13 1.920 4.605 -0.594 85 1HB LEU 13 HB2 LEU 13 4.158 5.590 -0.342 86 2HB LEU 13 HB1 LEU 13 3.531 6.754 0.845 87 HG LEU 13 HG LEU 13 2.925 4.885 2.365 88 1HD1 LEU 13 HD1 LEU 13 2.461 3.077 0.840 89 2HD1 LEU 13 HD1 LEU 13 4.077 3.199 0.103 90 3HD1 LEU 13 HD1 LEU 13 3.897 2.591 1.765 91 1HD2 LEU 13 HD2 LEU 13 5.171 5.931 2.506 92 2HD2 LEU 13 HD2 LEU 13 5.794 4.739 1.342 93 3HD2 LEU 13 HD2 LEU 13 5.228 4.207 2.944 94 H ALA 14 H ALA 14 1.187 7.786 0.927 95 HA ALA 14 HA ALA 14 -0.106 6.741 3.243 96 1HB ALA 14 HB1 ALA 14 0.680 9.071 3.039 97 2HB ALA 14 HB2 ALA 14 -1.056 9.021 3.423 98 3HB ALA 14 HB3 ALA 14 -0.521 9.376 1.763 99 H LYS 15 H LYS 15 -1.323 7.619 -0.032 100 HA LYS 15 HA LYS 15 -4.086 7.258 0.527 101 1HB LYS 15 H LYS 15 -2.363 7.130 -1.963 102 2HB LYS 15 H LYS 15 -4.095 6.750 -2.034 103 1HG LYS 15 H LYS 15 -3.295 9.263 -0.595 104 2HG LYS 15 H LYS 15 -3.153 9.262 -2.368 105 1HD LYS 15 H LYS 15 -5.684 8.281 -1.007 106 2HD LYS 15 H LYS 15 -5.420 10.015 -1.312 107 1HE LYS 15 H LYS 15 -5.181 9.622 -3.702 108 2HE LYS 15 H LYS 15 -5.233 7.863 -3.466 109 1HZ LYS 15 H LYS 15 -7.425 9.733 -2.891 110 2HZ LYS 15 H LYS 15 -7.332 8.715 -4.186 111 3HZ LYS 15 H LYS 15 -7.469 8.098 -2.663 112 H ILE 16 H ILE 16 -1.567 5.038 -0.762 113 HA ILE 16 HA ILE 16 -3.216 2.775 -1.089 114 HB ILE 16 HB ILE 16 -0.252 3.145 -0.547 115 1HG1 ILE 16 HG1 ILE 16 -1.639 2.099 -3.043 116 2HG1 ILE 16 HG1 ILE 16 -1.472 3.844 -2.750 117 1HG2 ILE 16 HG2 ILE 16 -0.738 0.950 0.326 118 2HG2 ILE 16 HG2 ILE 16 -0.089 0.707 -1.307 119 3HG2 ILE 16 HG2 ILE 16 -1.840 0.588 -1.023 120 1HD1 ILE 16 HD1 ILE 16 0.786 1.799 -2.949 121 2HD1 ILE 16 HD1 ILE 16 1.009 3.502 -2.488 122 3HD1 ILE 16 HD1 ILE 16 0.406 3.090 -4.110 123 H VAL 17 H VAL 17 -1.143 3.711 1.712 124 HA VAL 17 HA VAL 17 -1.788 1.525 3.364 125 HB VAL 17 HB VAL 17 -0.887 4.377 3.837 126 1HG1 VAL 17 HG1 VAL 17 -1.660 2.318 5.942 127 2HG1 VAL 17 HG1 VAL 17 -2.243 3.994 5.790 128 3HG1 VAL 17 HG1 VAL 17 -0.561 3.680 6.266 129 1HG2 VAL 17 HG2 VAL 17 0.354 1.664 4.485 130 2HG2 VAL 17 HG2 VAL 17 0.668 2.583 2.992 131 3HG2 VAL 17 HG2 VAL 17 1.153 3.252 4.567 132 H ASN 18 H ASN 18 -3.382 4.768 3.157 133 HA ASN 18 HA ASN 18 -5.337 4.287 5.148 134 1HB ASN 18 HB2 ASN 18 -4.816 6.513 4.270 135 2HB ASN 18 HB1 ASN 18 -5.422 6.047 2.666 136 1HD2 ASN 18 HD2 ASN 18 -6.379 6.493 6.095 137 2HD2 ASN 18 HD2 ASN 18 -8.063 6.835 5.766 138 H TYR 19 H TYR 19 -5.394 3.693 1.604 139 HA TYR 19 HA TYR 19 -8.123 2.899 1.467 140 1HB TYR 19 HB2 TYR 19 -7.432 3.163 -0.669 141 2HB TYR 19 HB1 TYR 19 -5.738 2.878 -0.252 142 HD1 TYR 19 HD1 TYR 19 -8.964 1.002 -0.724 143 HD2 TYR 19 HD2 TYR 19 -4.667 0.947 -0.996 144 HE1 TYR 19 HE1 TYR 19 -9.050 -1.259 -1.741 145 HE2 TYR 19 HE2 TYR 19 -4.760 -1.306 -2.015 146 HH TYR 19 HH TYR 19 -7.825 -2.917 -2.813 147 H MET 20 H MET 20 -5.139 0.827 1.537 148 HA MET 20 HA MET 20 -6.535 -1.646 1.685 149 1HB MET 20 HB2 MET 20 -3.873 -0.792 1.538 150 2HB MET 20 HB1 MET 20 -3.954 -1.574 3.129 151 1HG MET 20 HG1 MET 20 -4.825 -2.777 0.468 152 2HG MET 20 HG2 MET 20 -3.358 -3.189 1.367 153 1HE MET 20 HE1 MET 20 -5.176 -5.452 0.321 154 2HE MET 20 HE2 MET 20 -5.278 -6.502 1.752 155 3HE MET 20 HE3 MET 20 -3.742 -5.702 1.342 156 H LYS 21 H LYS 21 -5.589 0.696 4.229 157 HA LYS 21 HA LYS 21 -6.074 -0.979 6.469 158 1HB LYS 21 H LYS 21 -4.961 1.286 6.468 159 2HB LYS 21 H LYS 21 -6.557 2.020 6.223 160 1HG LYS 21 H LYS 21 -6.800 0.179 8.413 161 2HG LYS 21 H LYS 21 -5.311 1.111 8.679 162 1HD LYS 21 H LYS 21 -7.015 2.397 9.715 163 2HD LYS 21 H LYS 21 -6.720 3.213 8.161 164 1HE LYS 21 H LYS 21 -8.659 2.125 7.171 165 2HE LYS 21 H LYS 21 -8.892 1.126 8.619 166 1HZ LYS 21 H LYS 21 -10.379 2.992 8.555 167 2HZ LYS 21 H LYS 21 -9.351 3.126 9.838 168 3HZ LYS 21 H LYS 21 -9.119 4.053 8.494 169 H THR 22 H THR 22 -8.239 1.197 4.596 170 HA THR 22 HA THR 22 -10.576 0.589 6.200 171 HB THR 22 HB THR 22 -10.294 1.791 3.395 172 HG1 THR 22 HG1 THR 22 -9.206 3.078 4.782 173 1HG2 THR 22 HG2 THR 22 -12.549 1.843 5.459 174 2HG2 THR 22 HG2 THR 22 -12.500 2.845 3.989 175 3HG2 THR 22 HG2 THR 22 -12.596 1.073 3.852 176 H ARG 23 H ARG 23 -9.226 -0.564 3.115 177 HA ARG 23 HA ARG 23 -11.424 -2.195 2.320 178 1HB ARG 23 H ARG 23 -10.085 -1.886 0.507 179 2HB ARG 23 H ARG 23 -8.669 -1.551 1.502 180 1HG ARG 23 H ARG 23 -8.075 -3.462 0.271 181 2HG ARG 23 H ARG 23 -8.494 -4.092 1.876 182 1HD ARG 23 H ARG 23 -9.518 -5.470 0.169 183 2HD ARG 23 H ARG 23 -10.775 -4.582 1.035 184 HE ARG 23 H ARG 23 -9.740 -3.524 -1.557 185 1HH1 ARG 23 H ARG 23 -12.407 -5.037 0.276 186 2HH1 ARG 23 H ARG 23 -13.619 -4.582 -0.897 187 1HH2 ARG 23 H ARG 23 -11.407 -2.801 -2.982 188 2HH2 ARG 23 H ARG 23 -13.060 -3.317 -2.727 189 H HIS 24 H HIS 24 -8.618 -2.708 4.448 190 HA HIS 24 HA HIS 24 -9.044 -5.549 4.799 191 1HB HIS 24 HB1 HIS 24 -6.873 -4.475 5.176 192 2HB HIS 24 HB2 HIS 24 -7.572 -3.435 6.425 193 HD1 HIS 24 HD1 HIS 24 -6.179 -6.875 5.830 194 HD2 HIS 24 HD2 HIS 24 -8.075 -4.769 8.908 195 HE1 HIS 24 HE1 HIS 24 -5.859 -8.190 7.987 196 H GLN 25 H GLN 25 -9.775 -2.578 6.702 197 HA GLN 25 HA GLN 25 -11.160 -3.734 8.854 198 1HB GLN 25 HB2 GLN 25 -10.849 -1.097 7.610 199 2HB GLN 25 HB1 GLN 25 -12.496 -1.321 8.224 200 1HG GLN 25 HG2 GLN 25 -11.245 -0.399 10.027 201 2HG GLN 25 HG1 GLN 25 -11.456 -2.114 10.400 202 1HE2 GLN 25 HE2 GLN 25 -9.360 -0.033 11.188 203 2HE2 GLN 25 HE2 GLN 25 -7.829 -0.779 10.788 204 H ARG 26 H ARG 26 -12.265 -2.922 5.563 205 HA ARG 26 HA ARG 26 -15.032 -3.139 5.876 206 1HB ARG 26 H ARG 26 -13.806 -2.341 3.854 207 2HB ARG 26 H ARG 26 -13.330 -4.018 3.507 208 1HG ARG 26 H ARG 26 -15.650 -4.682 3.238 209 2HG ARG 26 H ARG 26 -16.212 -3.078 3.764 210 1HD ARG 26 H ARG 26 -15.147 -2.030 1.823 211 2HD ARG 26 H ARG 26 -14.478 -3.594 1.311 212 HE ARG 26 H ARG 26 -17.199 -2.621 0.925 213 1HH1 ARG 26 H ARG 26 -15.144 -5.514 1.199 214 2HH1 ARG 26 H ARG 26 -16.252 -6.534 0.306 215 1HH2 ARG 26 H ARG 26 -18.650 -3.995 -0.224 216 2HH2 ARG 26 H ARG 26 -18.247 -5.674 -0.492 217 H GLY 27 H GLY 27 -12.599 -5.736 5.309 218 1HA GLY 27 HA1 GLY 27 -13.497 -7.797 6.700 219 2HA GLY 27 HA2 GLY 27 -14.747 -7.777 5.436 220 H ASP 28 H ASP 28 -12.761 -6.731 3.408 221 HA ASP 28 HA ASP 28 -11.802 -9.338 2.518 222 1HB ASP 28 H ASP 28 -11.089 -6.720 1.214 223 2HB ASP 28 H ASP 28 -11.429 -8.289 0.466 224 H THR 29 H THR 29 -10.556 -9.244 4.770 225 HA THR 29 HA THR 29 -8.162 -7.700 4.954 226 HB THR 29 HB THR 29 -7.610 -9.308 6.771 227 HG1 THR 29 HG1 THR 29 -10.009 -10.620 6.022 228 1HG2 THR 29 HG2 THR 29 -9.551 -8.849 8.184 229 2HG2 THR 29 HG2 THR 29 -10.557 -8.531 6.753 230 3HG2 THR 29 HG2 THR 29 -9.219 -7.437 7.159 231 H HIS 30 H HIS 30 -8.949 -10.269 2.859 232 HA HIS 30 HA HIS 30 -6.643 -11.849 2.835 233 1HB HIS 30 HB2 HIS 30 -7.462 -12.694 0.823 234 2HB HIS 30 HB1 HIS 30 -8.925 -12.055 1.589 235 HD1 HIS 30 HD1 HIS 30 -8.784 -9.063 0.874 236 HD2 HIS 30 HD2 HIS 30 -7.813 -12.109 -1.834 237 HE1 HIS 30 HE1 HIS 30 -9.007 -8.119 -1.475 238 HA PRO 31 HA PRO 31 -3.413 -9.324 1.170 239 1HB PRO 31 HB1 PRO 31 -2.452 -11.424 -0.605 240 2HB PRO 31 HB2 PRO 31 -1.717 -10.832 0.907 241 1HG PRO 31 HG2 PRO 31 -3.035 -13.328 0.478 242 2HG PRO 31 HG1 PRO 31 -2.508 -12.648 2.044 243 1HD PRO 31 HD1 PRO 31 -5.216 -12.888 0.963 244 2HD PRO 31 HD2 PRO 31 -4.690 -12.424 2.607 245 H LEU 32 H LEU 32 -2.752 -8.207 -0.771 246 HA LEU 32 HA LEU 32 -4.313 -8.794 -3.245 247 1HB LEU 32 HB2 LEU 32 -4.091 -6.190 -1.712 248 2HB LEU 32 HB1 LEU 32 -4.305 -6.185 -3.471 249 HG LEU 32 HG LEU 32 -6.187 -7.437 -1.412 250 1HD1 LEU 32 HD1 LEU 32 -6.545 -5.148 -3.404 251 2HD1 LEU 32 HD1 LEU 32 -7.744 -5.712 -2.210 252 3HD1 LEU 32 HD1 LEU 32 -6.238 -4.946 -1.659 253 1HD2 LEU 32 HD2 LEU 32 -7.662 -7.700 -3.524 254 2HD2 LEU 32 HD2 LEU 32 -6.164 -7.507 -4.450 255 3HD2 LEU 32 HD2 LEU 32 -6.343 -8.870 -3.325 256 H THR 33 H THR 33 -3.131 -8.390 -5.176 257 HA THR 33 HA THR 33 -0.243 -8.290 -4.866 258 HB THR 33 HB THR 33 -0.165 -8.461 -7.279 259 HG1 THR 33 HG1 THR 33 -2.710 -8.467 -7.970 260 1HG2 THR 33 HG2 THR 33 -2.559 -10.052 -6.267 261 2HG2 THR 33 HG2 THR 33 -1.534 -10.452 -7.661 262 3HG2 THR 33 HG2 THR 33 -0.855 -10.494 -6.019 263 H LEU 34 H LEU 34 0.982 -6.727 -6.455 264 HA LEU 34 HA LEU 34 0.725 -4.090 -5.456 265 1HB LEU 34 HB2 LEU 34 2.695 -5.441 -6.667 266 2HB LEU 34 HB1 LEU 34 2.030 -4.672 -8.120 267 HG LEU 34 HG LEU 34 3.792 -3.253 -7.302 268 1HD1 LEU 34 HD1 LEU 34 1.596 -2.163 -7.997 269 2HD1 LEU 34 HD1 LEU 34 1.248 -1.958 -6.263 270 3HD1 LEU 34 HD1 LEU 34 2.667 -1.170 -6.983 271 1HD2 LEU 34 HD2 LEU 34 2.403 -3.215 -4.589 272 2HD2 LEU 34 HD2 LEU 34 3.836 -4.190 -4.980 273 3HD2 LEU 34 HD2 LEU 34 3.927 -2.416 -5.024 274 H ASP 35 H ASP 35 -0.095 -5.457 -8.704 275 HA ASP 35 HA ASP 35 -1.151 -3.122 -9.838 276 1HB ASP 35 H ASP 35 -0.634 -5.366 -10.932 277 2HB ASP 35 H ASP 35 -2.204 -5.932 -10.319 278 H GLU 36 H GLU 36 -2.867 -5.701 -7.973 279 HA GLU 36 HA GLU 36 -5.474 -4.655 -8.120 280 1HB GLU 36 H GLU 36 -3.980 -6.307 -6.077 281 2HB GLU 36 H GLU 36 -5.669 -5.821 -5.804 282 1HG GLU 36 H GLU 36 -6.477 -7.207 -7.439 283 2HG GLU 36 H GLU 36 -5.093 -6.919 -8.512 284 H ILE 37 H ILE 37 -2.824 -3.882 -5.805 285 HA ILE 37 HA ILE 37 -4.383 -2.116 -4.195 286 HB ILE 37 HB ILE 37 -1.416 -2.501 -4.685 287 1HG1 ILE 37 HG1 ILE 37 -3.014 -2.773 -2.117 288 2HG1 ILE 37 HG1 ILE 37 -2.971 -4.081 -3.316 289 1HG2 ILE 37 HG2 ILE 37 -1.087 -0.922 -2.732 290 2HG2 ILE 37 HG2 ILE 37 -2.784 -0.425 -2.923 291 3HG2 ILE 37 HG2 ILE 37 -1.612 -0.129 -4.229 292 1HD1 ILE 37 HD1 ILE 37 -0.565 -2.839 -1.917 293 2HD1 ILE 37 HD1 ILE 37 -0.474 -4.073 -3.195 294 3HD1 ILE 37 HD1 ILE 37 -1.240 -4.459 -1.637 295 H LEU 38 H LEU 38 -2.211 -1.491 -7.038 296 HA LEU 38 HA LEU 38 -2.432 1.327 -7.023 297 1HB LEU 38 HB2 LEU 38 -2.184 -0.565 -9.397 298 2HB LEU 38 HB1 LEU 38 -1.921 1.181 -9.446 299 HG LEU 38 HG LEU 38 -0.308 -0.825 -7.856 300 1HD1 LEU 38 HD1 LEU 38 1.503 -0.150 -9.391 301 2HD1 LEU 38 HD1 LEU 38 0.384 0.956 -10.224 302 3HD1 LEU 38 HD1 LEU 38 0.118 -0.805 -10.294 303 1HD2 LEU 38 HD2 LEU 38 -0.358 1.220 -6.558 304 2HD2 LEU 38 HD2 LEU 38 1.191 1.191 -7.430 305 3HD2 LEU 38 HD2 LEU 38 -0.138 2.209 -8.020 306 H ASP 39 H ASP 39 -4.462 -1.125 -8.712 307 HA ASP 39 HA ASP 39 -6.119 0.593 -10.147 308 1HB ASP 39 H ASP 39 -6.116 -1.841 -10.399 309 2HB ASP 39 H ASP 39 -6.803 -2.036 -8.773 310 H GLU 40 H GLU 40 -6.809 -0.754 -6.857 311 HA GLU 40 HA GLU 40 -9.214 0.676 -6.473 312 1HB GLU 40 H GLU 40 -7.175 -0.345 -4.456 313 2HB GLU 40 H GLU 40 -8.829 0.180 -4.064 314 1HG GLU 40 H GLU 40 -9.202 -1.601 -6.190 315 2HG GLU 40 H GLU 40 -7.891 -2.349 -5.257 316 H THR 41 H THR 41 -5.812 1.626 -5.837 317 HA THR 41 HA THR 41 -6.661 4.142 -4.557 318 HB THR 41 HB THR 41 -4.218 4.537 -4.411 319 HG1 THR 41 HG1 THR 41 -4.020 1.925 -5.488 320 1HG2 THR 41 HG2 THR 41 -5.598 2.127 -3.310 321 2HG2 THR 41 HG2 THR 41 -4.920 3.542 -2.469 322 3HG2 THR 41 HG2 THR 41 -3.845 2.257 -3.065 323 H GLN 42 H GLN 42 -6.795 3.194 -7.697 324 HA GLN 42 HA GLN 42 -6.954 4.341 -9.661 325 1HB GLN 42 HB2 GLN 42 -8.180 6.065 -8.570 326 2HB GLN 42 HB1 GLN 42 -6.746 6.737 -7.790 327 1HG GLN 42 HG2 GLN 42 -6.874 6.634 -10.801 328 2HG GLN 42 HG1 GLN 42 -7.765 7.891 -9.928 329 1HE2 GLN 42 HE2 GLN 42 -5.898 8.824 -11.605 330 2HE2 GLN 42 HE2 GLN 42 -4.477 9.381 -10.750 331 H HIS 43 H HIS 43 -4.104 4.339 -7.761 332 HA HIS 43 HA HIS 43 -2.441 5.882 -9.574 333 1HB HIS 43 HB1 HIS 43 -1.521 3.865 -7.508 334 2HB HIS 43 HB2 HIS 43 -0.655 5.286 -8.115 335 HD1 HIS 43 HD1 HIS 43 -3.112 7.343 -7.724 336 HD2 HIS 43 HD2 HIS 43 -1.652 4.661 -4.866 337 HE1 HIS 43 HE1 HIS 43 -3.765 8.208 -5.421 338 H LEU 44 H LEU 44 -3.894 3.811 -11.031 339 HA LEU 44 HA LEU 44 -2.124 1.561 -11.441 340 1HB LEU 44 HB2 LEU 44 -4.757 2.249 -12.160 341 2HB LEU 44 HB1 LEU 44 -3.872 2.128 -13.700 342 HG LEU 44 HG LEU 44 -3.725 0.010 -11.495 343 1HD1 LEU 44 HD1 LEU 44 -5.308 -1.295 -12.848 344 2HD1 LEU 44 HD1 LEU 44 -6.049 0.263 -12.412 345 3HD1 LEU 44 HD1 LEU 44 -5.405 0.014 -14.051 346 1HD2 LEU 44 HD2 LEU 44 -1.824 -0.029 -13.034 347 2HD2 LEU 44 HD2 LEU 44 -2.908 0.071 -14.441 348 3HD2 LEU 44 HD2 LEU 44 -2.901 -1.389 -13.425 349 H ASP 45 H ASP 45 -2.762 4.637 -13.183 350 HA ASP 45 HA ASP 45 -0.546 4.121 -15.037 351 1HB ASP 45 H ASP 45 -2.666 5.281 -15.715 352 2HB ASP 45 H ASP 45 -2.252 6.613 -14.618 353 H ILE 46 H ILE 46 0.498 3.891 -12.573 354 HA ILE 46 HA ILE 46 1.563 6.488 -11.692 355 HB ILE 46 HB ILE 46 0.782 4.879 -10.013 356 1HG1 ILE 46 HG1 ILE 46 3.795 5.277 -10.001 357 2HG1 ILE 46 HG1 ILE 46 2.587 6.446 -9.429 358 1HG2 ILE 46 HG2 ILE 46 1.922 2.754 -9.656 359 2HG2 ILE 46 HG2 ILE 46 1.363 2.812 -11.338 360 3HG2 ILE 46 HG2 ILE 46 3.070 3.113 -10.962 361 1HD1 ILE 46 HD1 ILE 46 3.306 5.341 -7.462 362 2HD1 ILE 46 HD1 ILE 46 3.336 3.750 -8.258 363 3HD1 ILE 46 HD1 ILE 46 1.779 4.526 -7.871 364 H GLY 47 H GLY 47 3.786 7.000 -11.672 365 1HA GLY 47 HA1 GLY 47 5.302 6.212 -13.927 366 2HA GLY 47 HA2 GLY 47 5.933 7.048 -12.489 367 H LEU 48 H LEU 48 6.817 4.623 -14.267 368 HA LEU 48 HA LEU 48 6.722 2.244 -12.798 369 1HB LEU 48 HB2 LEU 48 7.515 2.438 -15.131 370 2HB LEU 48 HB1 LEU 48 8.946 3.337 -14.581 371 HG LEU 48 HG LEU 48 9.664 1.351 -13.246 372 1HD1 LEU 48 HD1 LEU 48 7.147 0.146 -14.471 373 2HD1 LEU 48 HD1 LEU 48 8.473 -0.846 -13.820 374 3HD1 LEU 48 HD1 LEU 48 7.580 0.253 -12.747 375 1HD2 LEU 48 HD2 LEU 48 10.452 1.669 -15.578 376 2HD2 LEU 48 HD2 LEU 48 10.300 -0.057 -15.170 377 3HD2 LEU 48 HD2 LEU 48 9.058 0.733 -16.171 378 H LYS 49 H LYS 49 8.872 5.075 -12.421 379 HA LYS 49 HA LYS 49 10.799 3.922 -10.706 380 1HB LYS 49 H LYS 49 9.677 6.750 -10.862 381 2HB LYS 49 H LYS 49 11.115 6.295 -9.918 382 1HG LYS 49 H LYS 49 12.110 5.346 -12.052 383 2HG LYS 49 H LYS 49 10.742 6.054 -12.940 384 1HD LYS 49 H LYS 49 12.619 7.661 -11.146 385 2HD LYS 49 H LYS 49 12.840 7.484 -12.902 386 1HE LYS 49 H LYS 49 10.492 8.395 -13.207 387 2HE LYS 49 H LYS 49 10.465 8.747 -11.465 388 1HZ LYS 49 H LYS 49 12.399 9.819 -13.401 389 2HZ LYS 49 H LYS 49 11.130 10.643 -12.743 390 3HZ LYS 49 H LYS 49 12.376 10.145 -11.783 391 H GLN 50 H GLN 50 7.687 5.586 -9.922 392 HA GLN 50 HA GLN 50 7.949 5.198 -7.086 393 1HB GLN 50 HB2 GLN 50 5.569 5.798 -8.881 394 2HB GLN 50 HB1 GLN 50 5.486 5.753 -7.106 395 1HG GLN 50 HG1 GLN 50 7.302 7.477 -7.020 396 2HG GLN 50 HG2 GLN 50 7.248 7.581 -8.793 397 1HE2 GLN 50 HE2 GLN 50 5.073 8.119 -9.771 398 2HE2 GLN 50 HE2 GLN 50 4.054 9.249 -8.910 399 H LYS 51 H LYS 51 6.218 3.404 -9.702 400 HA LYS 51 HA LYS 51 4.910 1.483 -8.143 401 1HB LYS 51 H LYS 51 4.784 1.859 -10.655 402 2HB LYS 51 H LYS 51 6.304 0.955 -10.800 403 1HG LYS 51 H LYS 51 5.271 -1.012 -9.743 404 2HG LYS 51 H LYS 51 3.758 -0.112 -9.501 405 1HD LYS 51 H LYS 51 5.029 -0.701 -12.218 406 2HD LYS 51 H LYS 51 3.676 -1.610 -11.505 407 1HE LYS 51 H LYS 51 2.522 0.734 -11.304 408 2HE LYS 51 H LYS 51 3.728 1.257 -12.496 409 1HZ LYS 51 H LYS 51 2.943 -0.469 -13.948 410 2HZ LYS 51 H LYS 51 1.824 -0.957 -12.837 411 3HZ LYS 51 H LYS 51 1.704 0.538 -13.527 412 H GLN 52 H GLN 52 8.249 1.378 -9.495 413 HA GLN 52 HA GLN 52 8.972 -1.151 -8.462 414 1HB GLN 52 HB2 GLN 52 10.241 0.007 -10.202 415 2HB GLN 52 HB1 GLN 52 10.644 1.326 -9.082 416 1HG GLN 52 HG2 GLN 52 11.349 -1.479 -8.251 417 2HG GLN 52 HG1 GLN 52 12.318 -0.734 -9.539 418 1HE2 GLN 52 HE2 GLN 52 12.990 1.653 -9.022 419 2HE2 GLN 52 HE2 GLN 52 13.610 1.919 -7.408 420 H TRP 53 H TRP 53 9.542 2.159 -7.112 421 HA TRP 53 HA TRP 53 10.844 1.389 -4.750 422 1HB TRP 53 HB1 TRP 53 10.780 3.681 -5.353 423 2HB TRP 53 HB2 TRP 53 9.016 3.691 -5.459 424 HD1 TRP 53 HD1 TRP 53 11.642 3.092 -2.690 425 HE1 TRP 53 HE1 TRP 53 10.856 4.204 -0.503 426 HE3 TRP 53 HE3 TRP 53 7.132 4.890 -4.290 427 HZ2 TRP 53 HZ2 TRP 53 8.578 5.673 0.409 428 HZ3 TRP 53 HZ3 TRP 53 5.672 6.135 -2.726 429 HH2 TRP 53 HH2 TRP 53 6.389 6.545 -0.385 430 H LEU 54 H LEU 54 7.300 1.845 -5.305 431 HA LEU 54 HA LEU 54 6.478 1.209 -2.695 432 1HB LEU 54 HB2 LEU 54 5.124 0.814 -5.383 433 2HB LEU 54 HB1 LEU 54 4.304 0.549 -3.831 434 HG LEU 54 HG LEU 54 5.709 3.170 -4.455 435 1HD1 LEU 54 HD1 LEU 54 2.797 2.455 -4.990 436 2HD1 LEU 54 HD1 LEU 54 4.039 2.706 -6.239 437 3HD1 LEU 54 HD1 LEU 54 3.542 4.057 -5.196 438 1HD2 LEU 54 HD2 LEU 54 3.989 3.994 -2.793 439 2HD2 LEU 54 HD2 LEU 54 3.511 2.299 -2.531 440 3HD2 LEU 54 HD2 LEU 54 5.155 2.838 -2.113 441 H MET 55 H MET 55 7.126 -0.889 -5.514 442 HA MET 55 HA MET 55 6.109 -3.262 -4.316 443 1HB MET 55 HB1 MET 55 6.472 -2.769 -6.779 444 2HB MET 55 HB2 MET 55 8.209 -3.045 -6.508 445 1HG MET 55 HG1 MET 55 7.709 -5.313 -5.657 446 2HG MET 55 HG2 MET 55 5.980 -5.029 -5.912 447 1HE MET 55 HE1 MET 55 5.778 -7.272 -7.227 448 2HE MET 55 HE2 MET 55 6.822 -7.727 -8.595 449 3HE MET 55 HE3 MET 55 7.513 -7.571 -6.962 450 H THR 56 H THR 56 9.572 -2.133 -4.686 451 HA THR 56 HA THR 56 10.252 -4.250 -2.679 452 HB THR 56 HB THR 56 10.985 -4.855 -4.932 453 HG1 THR 56 HG1 THR 56 13.236 -5.030 -4.409 454 1HG2 THR 56 HG2 THR 56 11.201 -2.664 -5.971 455 2HG2 THR 56 HG2 THR 56 12.770 -3.491 -6.050 456 3HG2 THR 56 HG2 THR 56 12.502 -2.210 -4.850 457 H GLU 57 H GLU 57 9.553 -1.736 -1.692 458 HA GLU 57 HA GLU 57 11.910 -1.235 -0.137 459 1HB GLU 57 H GLU 57 12.706 0.095 -1.973 460 2HB GLU 57 H GLU 57 11.139 0.896 -2.152 461 1HG GLU 57 H GLU 57 12.861 2.295 -0.961 462 2HG GLU 57 H GLU 57 11.382 2.025 -0.019 463 H ALA 58 H ALA 58 8.879 0.430 -1.246 464 HA ALA 58 HA ALA 58 8.425 1.448 1.434 465 1HB ALA 58 HB1 ALA 58 7.697 2.370 -0.942 466 2HB ALA 58 HB2 ALA 58 6.267 1.353 -0.649 467 3HB ALA 58 HB3 ALA 58 6.686 2.642 0.496 468 H LEU 59 H LEU 59 6.544 -0.884 -0.633 469 HA LEU 59 HA LEU 59 4.906 -1.596 1.665 470 1HB LEU 59 HB2 LEU 59 4.988 -2.784 -1.136 471 2HB LEU 59 HB1 LEU 59 3.707 -3.019 0.068 472 HG LEU 59 HG LEU 59 4.501 -0.317 -1.122 473 1HD1 LEU 59 HD1 LEU 59 2.351 -0.482 -2.328 474 2HD1 LEU 59 HD1 LEU 59 3.434 -1.822 -2.773 475 3HD1 LEU 59 HD1 LEU 59 2.088 -2.104 -1.645 476 1HD2 LEU 59 HD2 LEU 59 2.301 -1.200 0.791 477 2HD2 LEU 59 HD2 LEU 59 2.280 0.355 -0.074 478 3HD2 LEU 59 HD2 LEU 59 3.578 0.003 1.087 479 H VAL 60 H VAL 60 7.854 -2.276 1.777 480 HA VAL 60 HA VAL 60 7.475 -5.196 2.300 481 HB VAL 60 HB VAL 60 9.976 -5.387 1.845 482 1HG1 VAL 60 HG1 VAL 60 8.136 -4.577 -0.449 483 2HG1 VAL 60 HG1 VAL 60 9.632 -5.528 -0.603 484 3HG1 VAL 60 HG1 VAL 60 8.240 -6.197 0.280 485 1HG2 VAL 60 HG2 VAL 60 9.496 -2.732 0.439 486 2HG2 VAL 60 HG2 VAL 60 10.420 -2.917 1.948 487 3HG2 VAL 60 HG2 VAL 60 11.003 -3.675 0.447 488 H ASN 61 H ASN 61 8.356 -2.050 3.509 489 HA ASN 61 HA ASN 61 9.127 -3.340 6.086 490 1HB ASN 61 HB1 ASN 61 10.712 -1.442 6.448 491 2HB ASN 61 HB2 ASN 61 11.176 -2.517 5.115 492 1HD2 ASN 61 HD2 ASN 61 12.481 -0.859 4.182 493 2HD2 ASN 61 HD2 ASN 61 11.747 0.421 3.230 494 H ASN 62 H ASN 62 6.727 -1.704 4.575 495 HA ASN 62 HA ASN 62 6.261 0.482 6.381 496 1HB ASN 62 HB2 ASN 62 5.286 0.243 4.077 497 2HB ASN 62 HB1 ASN 62 4.255 -1.058 4.698 498 1HD2 ASN 62 HD2 ASN 62 4.714 2.365 4.408 499 2HD2 ASN 62 HD2 ASN 62 3.308 2.865 5.320 500 HA PRO 63 HA PRO 63 5.176 -2.027 9.878 501 1HB PRO 63 HB1 PRO 63 3.588 0.083 11.070 502 2HB PRO 63 HB2 PRO 63 5.228 -0.466 11.516 503 1HG PRO 63 HG2 PRO 63 4.459 1.955 10.108 504 2HG PRO 63 HG1 PRO 63 6.093 1.436 10.611 505 1HD PRO 63 HD1 PRO 63 5.001 1.488 7.951 506 2HD PRO 63 HD2 PRO 63 6.605 0.887 8.467 507 H LYS 64 H LYS 64 2.732 -0.228 7.997 508 HA LYS 64 HA LYS 64 0.565 -1.885 9.135 509 1HB LYS 64 H LYS 64 0.809 0.754 7.889 510 2HB LYS 64 H LYS 64 -0.517 -0.194 7.184 511 1HG LYS 64 H LYS 64 -1.433 -0.643 9.419 512 2HG LYS 64 H LYS 64 -0.077 0.225 10.176 513 1HD LYS 64 H LYS 64 -1.801 1.613 8.109 514 2HD LYS 64 H LYS 64 -2.363 1.479 9.791 515 1HE LYS 64 H LYS 64 -0.325 2.572 10.599 516 2HE LYS 64 H LYS 64 0.331 2.634 8.949 517 1HZ LYS 64 H LYS 64 -0.640 4.709 9.587 518 2HZ LYS 64 H LYS 64 -2.097 3.997 9.882 519 3HZ LYS 64 H LYS 64 -1.500 4.046 8.346 520 H ILE 65 H ILE 65 2.778 -2.905 7.173 521 HA ILE 65 HA ILE 65 0.838 -4.338 5.466 522 HB ILE 65 HB ILE 65 2.149 -2.163 4.392 523 1HG1 ILE 65 HG1 ILE 65 1.886 -3.621 2.160 524 2HG1 ILE 65 HG1 ILE 65 1.023 -4.716 3.260 525 1HG2 ILE 65 HG2 ILE 65 4.352 -3.395 4.741 526 2HG2 ILE 65 HG2 ILE 65 3.782 -4.597 3.554 527 3HG2 ILE 65 HG2 ILE 65 4.015 -2.907 3.070 528 1HD1 ILE 65 HD1 ILE 65 -0.391 -2.761 3.990 529 2HD1 ILE 65 HD1 ILE 65 -0.577 -3.160 2.268 530 3HD1 ILE 65 HD1 ILE 65 0.418 -1.768 2.760 531 H GLU 66 H GLU 66 1.690 -6.337 4.606 532 HA GLU 66 HA GLU 66 4.383 -7.158 5.394 533 1HB GLU 66 H GLU 66 3.659 -9.102 6.696 534 2HB GLU 66 H GLU 66 3.070 -7.607 7.456 535 1HG GLU 66 H GLU 66 0.851 -7.947 6.384 536 2HG GLU 66 H GLU 66 1.440 -9.453 5.654 537 H VAL 67 H VAL 67 5.093 -8.992 4.225 538 HA VAL 67 HA VAL 67 3.462 -9.551 1.819 539 HB VAL 67 HB VAL 67 6.354 -10.243 2.509 540 1HG1 VAL 67 HG1 VAL 67 5.390 -11.784 0.847 541 2HG1 VAL 67 HG1 VAL 67 6.521 -10.668 0.050 542 3HG1 VAL 67 HG1 VAL 67 4.768 -10.408 -0.095 543 1HG2 VAL 67 HG2 VAL 67 5.121 -8.020 0.822 544 2HG2 VAL 67 HG2 VAL 67 6.052 -7.821 2.325 545 3HG2 VAL 67 HG2 VAL 67 6.856 -8.417 0.855 546 H ILE 68 H ILE 68 2.444 -11.482 1.503 547 HA ILE 68 HA ILE 68 3.089 -13.684 3.428 548 HB ILE 68 HB ILE 68 0.359 -12.927 2.286 549 1HG1 ILE 68 HG1 ILE 68 1.583 -12.602 5.067 550 2HG1 ILE 68 HG1 ILE 68 1.117 -11.296 3.954 551 1HG2 ILE 68 HG2 ILE 68 -0.512 -14.694 3.701 552 2HG2 ILE 68 HG2 ILE 68 1.083 -14.959 4.447 553 3HG2 ILE 68 HG2 ILE 68 0.806 -15.404 2.750 554 1HD1 ILE 68 HD1 ILE 68 -1.259 -12.220 4.036 555 2HD1 ILE 68 HD1 ILE 68 -0.665 -11.502 5.551 556 3HD1 ILE 68 HD1 ILE 68 -0.718 -13.268 5.368 557 H ASP 69 H ASP 69 0.738 -13.993 0.805 558 HA ASP 69 HA ASP 69 2.371 -16.108 -0.394 559 1HB ASP 69 H ASP 69 -0.052 -16.394 -0.045 560 2HB ASP 69 H ASP 69 -0.381 -14.972 -1.054 561 H GLY 70 H GLY 70 3.855 -13.856 -0.643 562 1HA GLY 70 HA1 GLY 70 5.048 -12.762 -2.307 563 2HA GLY 70 HA2 GLY 70 3.938 -13.424 -3.528 564 H LYS 71 H LYS 71 1.484 -12.485 -2.262 565 HA LYS 71 HA LYS 71 1.417 -9.801 -3.322 566 1HB LYS 71 H LYS 71 -0.748 -11.010 -1.610 567 2HB LYS 71 H LYS 71 -0.899 -9.942 -3.008 568 1HG LYS 71 H LYS 71 0.052 -11.876 -4.410 569 2HG LYS 71 H LYS 71 -0.217 -12.900 -2.981 570 1HD LYS 71 H LYS 71 -2.605 -12.318 -2.965 571 2HD LYS 71 H LYS 71 -2.363 -11.221 -4.342 572 1HE LYS 71 H LYS 71 -3.199 -13.228 -5.305 573 2HE LYS 71 H LYS 71 -1.450 -13.267 -5.618 574 1HZ LYS 71 H LYS 71 -2.786 -14.635 -3.385 575 2HZ LYS 71 H LYS 71 -2.333 -15.357 -4.794 576 3HZ LYS 71 H LYS 71 -1.186 -14.744 -3.778 577 H TYR 72 H TYR 72 0.042 -8.167 -1.808 578 HA TYR 72 HA TYR 72 1.620 -7.939 0.729 579 1HB TYR 72 HB2 TYR 72 0.416 -5.759 -1.005 580 2HB TYR 72 HB1 TYR 72 1.428 -5.532 0.431 581 HD1 TYR 72 HD1 TYR 72 3.839 -5.956 0.353 582 HD2 TYR 72 HD2 TYR 72 1.377 -6.506 -3.135 583 HE1 TYR 72 HE1 TYR 72 5.876 -6.068 -1.067 584 HE2 TYR 72 HE2 TYR 72 3.412 -6.628 -4.553 585 HH TYR 72 HH TYR 72 5.706 -6.686 -4.583 586 H ALA 73 H ALA 73 0.506 -8.009 2.570 587 HA ALA 73 HA ALA 73 -2.448 -7.546 2.473 588 1HB ALA 73 HB1 ALA 73 -2.558 -9.102 4.389 589 2HB ALA 73 HB2 ALA 73 -1.819 -9.887 2.976 590 3HB ALA 73 HB3 ALA 73 -0.794 -9.324 4.316 591 H PHE 74 H PHE 74 -3.304 -6.096 3.926 592 HA PHE 74 HA PHE 74 -1.508 -4.234 5.186 593 1HB PHE 74 HB2 PHE 74 -3.540 -3.349 4.435 594 2HB PHE 74 HB1 PHE 74 -4.489 -4.672 5.123 595 HD1 PHE 74 HD1 PHE 74 -4.980 -4.743 7.535 596 HD2 PHE 74 HD2 PHE 74 -2.906 -1.418 5.777 597 HE1 PHE 74 HE1 PHE 74 -5.533 -3.370 9.516 598 HE2 PHE 74 HE2 PHE 74 -3.433 -0.044 7.778 599 HZ PHE 74 HZ PHE 74 -4.773 -1.018 9.641 600 H LYS 75 H LYS 75 -0.607 -4.315 7.152 601 HA LYS 75 HA LYS 75 -1.064 -6.623 8.847 602 1HB LYS 75 H LYS 75 1.175 -5.814 8.626 603 2HB LYS 75 H LYS 75 0.691 -4.157 9.023 604 1HG LYS 75 H LYS 75 0.807 -4.536 11.259 605 2HG LYS 75 H LYS 75 -0.062 -6.082 11.130 606 1HD LYS 75 H LYS 75 2.824 -5.815 10.232 607 2HD LYS 75 H LYS 75 2.403 -6.162 11.929 608 1HE LYS 75 H LYS 75 1.385 -8.224 11.390 609 2HE LYS 75 H LYS 75 1.182 -7.784 9.685 610 1HZ LYS 75 H LYS 75 3.648 -7.814 9.577 611 2HZ LYS 75 H LYS 75 3.651 -8.537 11.059 612 3HZ LYS 75 H LYS 75 2.920 -9.284 9.774 613 HA PRO 76 HA PRO 76 -4.360 -4.501 11.035 614 1HB PRO 76 HB1 PRO 76 -4.611 -6.548 12.988 615 2HB PRO 76 HB2 PRO 76 -5.566 -6.369 11.492 616 1HG PRO 76 HG1 PRO 76 -3.436 -8.299 12.109 617 2HG PRO 76 HG2 PRO 76 -4.584 -8.289 10.741 618 1HD PRO 76 HD2 PRO 76 -1.801 -7.595 10.700 619 2HD PRO 76 HD1 PRO 76 -2.981 -7.459 9.363 620 H LYS 77 H LYS 77 -4.782 -4.436 13.697 621 HA LYS 77 HA LYS 77 -2.860 -2.685 14.726 622 1HB LYS 77 H LYS 77 -4.803 -4.519 16.201 623 2HB LYS 77 H LYS 77 -3.953 -3.140 16.933 624 1HG LYS 77 H LYS 77 -5.705 -2.816 14.464 625 2HG LYS 77 H LYS 77 -6.364 -2.733 16.112 626 1HD LYS 77 H LYS 77 -4.674 -0.935 16.641 627 2HD LYS 77 H LYS 77 -4.178 -0.959 14.933 628 1HE LYS 77 H LYS 77 -5.773 0.834 15.198 629 2HE LYS 77 H LYS 77 -6.577 -0.474 14.302 630 1HZ LYS 77 H LYS 77 -7.627 -1.151 16.319 631 2HZ LYS 77 H LYS 77 -6.830 -0.001 17.193 632 3HZ LYS 77 H LYS 77 -7.940 0.447 16.058 633 H TYR 78 H TYR 78 -3.301 -6.178 15.536 634 HA TYR 78 HA TYR 78 -0.443 -6.601 15.678 635 1HB TYR 78 HB2 TYR 78 -0.416 -7.292 18.078 636 2HB TYR 78 HB1 TYR 78 -0.629 -5.552 17.841 637 HD1 TYR 78 HD1 TYR 78 -2.159 -8.651 19.087 638 HD2 TYR 78 HD2 TYR 78 -2.804 -4.466 18.307 639 HE1 TYR 78 HE1 TYR 78 -4.193 -8.697 20.511 640 HE2 TYR 78 HE2 TYR 78 -4.839 -4.514 19.728 641 HH TYR 78 HH TYR 78 -6.216 -5.793 21.037 642 H ASN 79 H ASN 79 -3.665 -7.788 16.786 643 HA ASN 79 HA ASN 79 -2.887 -10.559 16.133 644 1HB ASN 79 HB2 ASN 79 -4.149 -10.057 18.209 645 2HB ASN 79 HB1 ASN 79 -5.469 -9.373 17.239 646 1HD2 ASN 79 HD2 ASN 79 -7.151 -10.738 16.952 647 2HD2 ASN 79 HD2 ASN 79 -7.037 -12.491 16.935 648 H VAL 80 H VAL 80 -4.252 -11.859 14.682 649 HA VAL 80 HA VAL 80 -4.604 -10.714 12.143 650 HB VAL 80 HB VAL 80 -5.950 -13.166 13.373 651 1HG1 VAL 80 HG1 VAL 80 -7.111 -12.493 11.326 652 2HG1 VAL 80 HG1 VAL 80 -5.563 -12.287 10.474 653 3HG1 VAL 80 HG1 VAL 80 -6.097 -13.910 10.973 654 1HG2 VAL 80 HG2 VAL 80 -3.500 -13.289 13.482 655 2HG2 VAL 80 HG2 VAL 80 -4.088 -14.371 12.200 656 3HG2 VAL 80 HG2 VAL 80 -3.372 -12.798 11.776 657 H ARG 81 H ARG 81 -7.012 -11.323 14.743 658 HA ARG 81 HA ARG 81 -8.988 -9.667 13.240 659 1HB ARG 81 H ARG 81 -9.349 -11.695 15.487 660 2HB ARG 81 H ARG 81 -10.655 -10.756 14.727 661 1HG ARG 81 H ARG 81 -10.025 -11.753 12.509 662 2HG ARG 81 H ARG 81 -8.823 -12.767 13.339 663 1HD ARG 81 H ARG 81 -11.813 -12.744 13.942 664 2HD ARG 81 H ARG 81 -10.983 -13.960 12.944 665 HE ARG 81 H ARG 81 -9.630 -13.852 15.418 666 1HH1 ARG 81 H ARG 81 -12.815 -14.724 14.141 667 2HH1 ARG 81 H ARG 81 -13.148 -15.896 15.393 668 1HH2 ARG 81 H ARG 81 -10.080 -15.390 17.078 669 2HH2 ARG 81 H ARG 81 -11.585 -16.279 17.068 Start of MODEL 11 1 1H ALA 1 H1 ALA 1 -3.854 25.190 2.936 2 2H ALA 1 H2 ALA 1 -4.400 23.662 2.634 3 3H ALA 1 H3 ALA 1 -5.448 24.933 2.598 4 HA ALA 1 HA ALA 1 -4.399 25.870 0.703 5 1HB ALA 1 HB1 ALA 1 -2.587 24.621 -0.421 6 2HB ALA 1 HB2 ALA 1 -2.111 25.102 1.225 7 3HB ALA 1 HB3 ALA 1 -2.595 23.421 0.894 8 H LEU 2 H LEU 2 -4.856 25.106 -1.521 9 HA LEU 2 HA LEU 2 -7.217 23.507 -1.600 10 1HB LEU 2 HB2 LEU 2 -6.735 25.296 -3.223 11 2HB LEU 2 HB1 LEU 2 -5.312 24.406 -3.809 12 HG LEU 2 HG LEU 2 -6.805 22.529 -4.527 13 1HD1 LEU 2 HD1 LEU 2 -8.966 24.424 -3.510 14 2HD1 LEU 2 HD1 LEU 2 -8.673 22.739 -3.013 15 3HD1 LEU 2 HD1 LEU 2 -9.297 23.089 -4.640 16 1HD2 LEU 2 HD2 LEU 2 -7.822 23.715 -6.437 17 2HD2 LEU 2 HD2 LEU 2 -6.191 24.345 -6.102 18 3HD2 LEU 2 HD2 LEU 2 -7.624 25.268 -5.589 19 H SER 3 H SER 3 -3.847 22.873 -2.731 20 HA SER 3 HA SER 3 -4.170 20.026 -2.098 21 1HB SER 3 HB1 SER 3 -5.082 20.322 -4.441 22 2HB SER 3 HB2 SER 3 -3.472 20.901 -4.935 23 HG SER 3 HG SER 3 -3.725 18.654 -5.275 24 H GLY 4 H GLY 4 -2.635 21.471 -0.609 25 1HA GLY 4 HA1 GLY 4 0.036 21.921 -1.704 26 2HA GLY 4 HA2 GLY 4 -0.487 22.119 -0.016 27 H SER 5 H SER 5 -0.041 19.512 -2.479 28 HA SER 5 HA SER 5 1.535 17.962 -0.529 29 1HB SER 5 HB2 SER 5 0.092 15.930 -0.960 30 2HB SER 5 HB1 SER 5 -0.698 17.197 0.008 31 HG SER 5 HG SER 5 -0.954 17.004 -2.813 32 H SER 6 H SER 6 3.329 17.561 -1.675 33 HA SER 6 HA SER 6 3.048 16.390 -4.388 34 1HB SER 6 HB2 SER 6 5.001 17.858 -5.106 35 2HB SER 6 HB1 SER 6 3.456 18.711 -4.877 36 HG SER 6 HG SER 6 4.174 19.381 -2.853 37 H GLY 7 H GLY 7 3.388 14.796 -2.300 38 1HA GLY 7 HA2 GLY 7 6.152 14.494 -1.469 39 2HA GLY 7 HA1 GLY 7 4.800 13.386 -1.148 40 H TYR 8 H TYR 8 4.171 13.362 -4.136 41 HA TYR 8 HA TYR 8 4.467 11.875 -5.820 42 1HB TYR 8 HB1 TYR 8 6.612 11.954 -6.974 43 2HB TYR 8 HB2 TYR 8 6.109 13.565 -6.451 44 HD1 TYR 8 HD1 TYR 8 8.473 10.759 -5.731 45 HD2 TYR 8 HD2 TYR 8 7.463 14.878 -4.980 46 HE1 TYR 8 HE1 TYR 8 10.662 11.091 -4.619 47 HE2 TYR 8 HE2 TYR 8 9.657 15.209 -3.866 48 HH TYR 8 HH TYR 8 11.637 14.247 -3.241 49 H LYS 9 H LYS 9 4.967 10.868 -2.910 50 HA LYS 9 HA LYS 9 5.316 8.133 -3.634 51 1HB LYS 9 H LYS 9 7.430 7.585 -2.743 52 2HB LYS 9 H LYS 9 7.719 8.992 -3.770 53 1HG LYS 9 H LYS 9 7.548 10.432 -1.691 54 2HG LYS 9 H LYS 9 7.505 8.932 -0.740 55 1HD LYS 9 H LYS 9 9.714 9.539 -2.746 56 2HD LYS 9 H LYS 9 9.817 10.011 -1.036 57 1HE LYS 9 H LYS 9 9.410 7.603 -0.407 58 2HE LYS 9 H LYS 9 9.497 7.184 -2.131 59 1HZ LYS 9 H LYS 9 11.639 8.435 -0.561 60 2HZ LYS 9 H LYS 9 11.718 8.058 -2.164 61 3HZ LYS 9 H LYS 9 11.583 6.857 -1.041 62 H PHE 10 H PHE 10 5.521 10.589 -1.031 63 HA PHE 10 HA PHE 10 4.685 8.789 1.049 64 1HB PHE 10 HB2 PHE 10 4.291 11.793 1.021 65 2HB PHE 10 HB1 PHE 10 4.576 10.731 2.411 66 HD1 PHE 10 HD1 PHE 10 6.094 13.232 0.664 67 HD2 PHE 10 HD2 PHE 10 6.865 9.157 1.819 68 HE1 PHE 10 HE1 PHE 10 8.530 13.623 0.420 69 HE2 PHE 10 HE2 PHE 10 9.297 9.549 1.570 70 HZ PHE 10 HZ PHE 10 10.137 11.785 0.874 71 H GLY 11 H GLY 11 2.960 11.123 -1.074 72 1HA GLY 11 HA1 GLY 11 0.396 10.847 0.122 73 2HA GLY 11 HA2 GLY 11 0.727 11.374 -1.544 74 H VAL 12 H VAL 12 1.950 9.127 -2.639 75 HA VAL 12 HA VAL 12 -0.291 7.492 -3.280 76 HB VAL 12 HB VAL 12 2.708 7.124 -3.705 77 1HG1 VAL 12 HG1 VAL 12 0.310 5.555 -4.730 78 2HG1 VAL 12 HG1 VAL 12 1.735 4.933 -3.871 79 3HG1 VAL 12 HG1 VAL 12 1.894 5.531 -5.539 80 1HG2 VAL 12 HG2 VAL 12 0.442 8.060 -5.531 81 2HG2 VAL 12 HG2 VAL 12 2.145 7.862 -6.010 82 3HG2 VAL 12 HG2 VAL 12 1.697 9.099 -4.815 83 H LEU 13 H LEU 13 2.601 6.901 -1.200 84 HA LEU 13 HA LEU 13 1.938 4.257 -0.450 85 1HB LEU 13 HB2 LEU 13 4.135 5.302 -0.102 86 2HB LEU 13 HB1 LEU 13 3.433 6.435 1.071 87 HG LEU 13 HG LEU 13 2.872 4.580 2.580 88 1HD1 LEU 13 HD1 LEU 13 2.336 2.755 1.150 89 2HD1 LEU 13 HD1 LEU 13 3.862 2.266 1.918 90 3HD1 LEU 13 HD1 LEU 13 3.866 2.895 0.254 91 1HD2 LEU 13 HD2 LEU 13 5.722 4.415 1.501 92 2HD2 LEU 13 HD2 LEU 13 5.190 3.820 3.090 93 3HD2 LEU 13 HD2 LEU 13 5.131 5.560 2.727 94 H ALA 14 H ALA 14 1.062 7.425 1.022 95 HA ALA 14 HA ALA 14 -0.318 6.372 3.275 96 1HB ALA 14 HB1 ALA 14 0.387 8.725 3.080 97 2HB ALA 14 HB2 ALA 14 -1.368 8.615 3.361 98 3HB ALA 14 HB3 ALA 14 -0.748 8.964 1.730 99 H LYS 15 H LYS 15 -1.432 7.233 -0.048 100 HA LYS 15 HA LYS 15 -4.191 6.743 0.371 101 1HB LYS 15 H LYS 15 -2.352 6.694 -2.032 102 2HB LYS 15 H LYS 15 -4.048 6.198 -2.193 103 1HG LYS 15 H LYS 15 -3.398 8.787 -0.777 104 2HG LYS 15 H LYS 15 -3.350 8.738 -2.554 105 1HD LYS 15 H LYS 15 -5.743 7.614 -1.068 106 2HD LYS 15 H LYS 15 -5.605 9.366 -1.350 107 1HE LYS 15 H LYS 15 -5.376 8.975 -3.778 108 2HE LYS 15 H LYS 15 -5.468 7.220 -3.520 109 1HZ LYS 15 H LYS 15 -7.567 8.141 -4.180 110 2HZ LYS 15 H LYS 15 -7.582 9.154 -2.875 111 3HZ LYS 15 H LYS 15 -7.667 7.522 -2.651 112 H ILE 16 H ILE 16 -1.538 4.558 -0.713 113 HA ILE 16 HA ILE 16 -3.169 2.264 -1.104 114 HB ILE 16 HB ILE 16 -0.223 2.632 -0.448 115 1HG1 ILE 16 HG1 ILE 16 -1.486 1.627 -3.021 116 2HG1 ILE 16 HG1 ILE 16 -1.354 3.369 -2.698 117 1HG2 ILE 16 HG2 ILE 16 -0.718 0.432 0.354 118 2HG2 ILE 16 HG2 ILE 16 -0.097 0.193 -1.293 119 3HG2 ILE 16 HG2 ILE 16 -1.845 0.116 -0.985 120 1HD1 ILE 16 HD1 ILE 16 0.937 1.360 -2.796 121 2HD1 ILE 16 HD1 ILE 16 1.109 3.067 -2.326 122 3HD1 ILE 16 HD1 ILE 16 0.593 2.644 -3.975 123 H VAL 17 H VAL 17 -1.257 3.342 1.759 124 HA VAL 17 HA VAL 17 -1.870 1.149 3.428 125 HB VAL 17 HB VAL 17 -1.084 4.037 3.876 126 1HG1 VAL 17 HG1 VAL 17 -1.875 1.994 5.990 127 2HG1 VAL 17 HG1 VAL 17 -0.825 3.390 6.330 128 3HG1 VAL 17 HG1 VAL 17 -2.497 3.651 5.785 129 1HG2 VAL 17 HG2 VAL 17 0.544 2.247 3.126 130 2HG2 VAL 17 HG2 VAL 17 0.965 3.017 4.673 131 3HG2 VAL 17 HG2 VAL 17 0.227 1.397 4.660 132 H ASN 18 H ASN 18 -3.608 4.283 2.982 133 HA ASN 18 HA ASN 18 -5.602 3.749 4.971 134 1HB ASN 18 HB2 ASN 18 -5.379 5.628 2.605 135 2HB ASN 18 HB1 ASN 18 -6.874 5.528 3.559 136 1HD2 ASN 18 HD2 ASN 18 -6.545 7.752 4.214 137 2HD2 ASN 18 HD2 ASN 18 -5.387 8.147 5.465 138 H TYR 19 H TYR 19 -5.461 3.190 1.426 139 HA TYR 19 HA TYR 19 -8.137 2.312 1.103 140 1HB TYR 19 HB2 TYR 19 -7.032 2.756 -0.888 141 2HB TYR 19 HB1 TYR 19 -5.537 1.967 -0.362 142 HD1 TYR 19 HD1 TYR 19 -9.136 1.010 -0.933 143 HD2 TYR 19 HD2 TYR 19 -4.983 -0.010 -1.420 144 HE1 TYR 19 HE1 TYR 19 -9.784 -1.077 -2.104 145 HE2 TYR 19 HE2 TYR 19 -5.636 -2.096 -2.592 146 HH TYR 19 HH TYR 19 -7.405 -3.226 -3.617 147 H MET 20 H MET 20 -5.119 0.328 1.468 148 HA MET 20 HA MET 20 -6.400 -2.171 1.674 149 1HB MET 20 HB2 MET 20 -3.805 -1.155 2.903 150 2HB MET 20 HB1 MET 20 -4.303 -2.860 2.880 151 1HG MET 20 HG1 MET 20 -4.643 -1.936 0.230 152 2HG MET 20 HG2 MET 20 -3.099 -1.265 0.770 153 1HE MET 20 HE1 MET 20 -4.193 -5.746 0.460 154 2HE MET 20 HE2 MET 20 -4.983 -4.652 1.617 155 3HE MET 20 HE3 MET 20 -5.182 -4.392 -0.130 156 H LYS 21 H LYS 21 -5.529 0.211 4.215 157 HA LYS 21 HA LYS 21 -6.303 -1.262 6.478 158 1HB LYS 21 H LYS 21 -5.100 0.797 6.721 159 2HB LYS 21 H LYS 21 -6.330 1.704 5.822 160 1HG LYS 21 H LYS 21 -7.961 1.352 7.609 161 2HG LYS 21 H LYS 21 -6.802 0.341 8.506 162 1HD LYS 21 H LYS 21 -5.422 2.178 9.029 163 2HD LYS 21 H LYS 21 -6.052 3.159 7.683 164 1HE LYS 21 H LYS 21 -8.221 3.372 8.815 165 2HE LYS 21 H LYS 21 -7.653 2.337 10.145 166 1HZ LYS 21 H LYS 21 -6.002 3.986 10.639 167 2HZ LYS 21 H LYS 21 -6.518 4.942 9.397 168 3HZ LYS 21 H LYS 21 -7.509 4.656 10.684 169 H THR 22 H THR 22 -8.286 0.838 4.312 170 HA THR 22 HA THR 22 -10.666 0.663 5.871 171 HB THR 22 HB THR 22 -10.279 1.141 2.876 172 HG1 THR 22 HG1 THR 22 -9.232 2.649 4.187 173 1HG2 THR 22 HG2 THR 22 -12.602 0.549 3.342 174 2HG2 THR 22 HG2 THR 22 -12.638 1.646 4.744 175 3HG2 THR 22 HG2 THR 22 -12.497 2.307 3.097 176 H ARG 23 H ARG 23 -9.715 -1.250 2.883 177 HA ARG 23 HA ARG 23 -12.089 -2.844 3.054 178 1HB ARG 23 H ARG 23 -10.935 -4.386 1.495 179 2HB ARG 23 H ARG 23 -10.929 -2.700 0.953 180 1HG ARG 23 H ARG 23 -8.636 -2.421 1.467 181 2HG ARG 23 H ARG 23 -8.594 -3.865 2.500 182 1HD ARG 23 H ARG 23 -7.538 -4.088 0.172 183 2HD ARG 23 H ARG 23 -8.691 -5.342 0.645 184 HE ARG 23 H ARG 23 -9.131 -3.163 -1.345 185 1HH1 ARG 23 H ARG 23 -10.261 -6.150 0.203 186 2HH1 ARG 23 H ARG 23 -11.638 -6.340 -0.859 187 1HH2 ARG 23 H ARG 23 -10.799 -3.552 -2.882 188 2HH2 ARG 23 H ARG 23 -11.875 -4.922 -2.672 189 H HIS 24 H HIS 24 -8.911 -3.083 4.611 190 HA HIS 24 HA HIS 24 -9.211 -5.761 5.591 191 1HB HIS 24 HB1 HIS 24 -7.064 -4.529 5.480 192 2HB HIS 24 HB2 HIS 24 -7.656 -3.388 6.696 193 HD1 HIS 24 HD1 HIS 24 -6.131 -6.792 6.285 194 HD2 HIS 24 HD2 HIS 24 -7.800 -4.487 9.349 195 HE1 HIS 24 HE1 HIS 24 -5.508 -7.877 8.501 196 H GLN 25 H GLN 25 -10.126 -2.521 6.811 197 HA GLN 25 HA GLN 25 -11.120 -3.391 9.350 198 1HB GLN 25 HB2 GLN 25 -11.441 -0.958 7.590 199 2HB GLN 25 HB1 GLN 25 -12.521 -1.165 8.978 200 1HG GLN 25 HG2 GLN 25 -10.507 -1.468 10.437 201 2HG GLN 25 HG1 GLN 25 -9.478 -1.115 9.039 202 1HE2 GLN 25 HE2 GLN 25 -12.085 0.210 11.115 203 2HE2 GLN 25 HE2 GLN 25 -11.676 1.893 10.867 204 H ARG 26 H ARG 26 -12.627 -2.979 6.111 205 HA ARG 26 HA ARG 26 -15.311 -3.449 6.918 206 1HB ARG 26 H ARG 26 -13.824 -3.812 4.295 207 2HB ARG 26 H ARG 26 -15.564 -4.141 4.455 208 1HG ARG 26 H ARG 26 -15.977 -1.847 5.207 209 2HG ARG 26 H ARG 26 -14.234 -1.497 5.191 210 1HD ARG 26 H ARG 26 -14.196 -1.998 2.739 211 2HD ARG 26 H ARG 26 -15.958 -2.227 2.784 212 HE ARG 26 H ARG 26 -15.512 0.289 3.903 213 1HH1 ARG 26 H ARG 26 -14.912 -1.341 0.815 214 2HH1 ARG 26 H ARG 26 -14.920 0.135 -0.122 215 1HH2 ARG 26 H ARG 26 -15.526 2.235 2.659 216 2HH2 ARG 26 H ARG 26 -15.293 2.172 0.928 217 H GLY 27 H GLY 27 -12.911 -5.763 5.454 218 1HA GLY 27 HA2 GLY 27 -13.485 -7.918 7.144 219 2HA GLY 27 HA1 GLY 27 -14.663 -8.022 5.817 220 H ASP 28 H ASP 28 -12.754 -6.801 3.843 221 HA ASP 28 HA ASP 28 -11.469 -9.278 3.026 222 1HB ASP 28 H ASP 28 -11.437 -6.448 1.927 223 2HB ASP 28 H ASP 28 -10.629 -7.823 1.152 224 H THR 29 H THR 29 -10.201 -9.372 5.149 225 HA THR 29 HA THR 29 -7.978 -7.529 5.447 226 HB THR 29 HB THR 29 -7.299 -9.076 7.253 227 HG1 THR 29 HG1 THR 29 -8.630 -10.913 7.599 228 1HG2 THR 29 HG2 THR 29 -9.324 -8.877 8.645 229 2HG2 THR 29 HG2 THR 29 -9.046 -7.396 7.706 230 3HG2 THR 29 HG2 THR 29 -10.299 -8.546 7.196 231 H HIS 30 H HIS 30 -8.611 -10.126 3.332 232 HA HIS 30 HA HIS 30 -6.096 -11.424 3.242 233 1HB HIS 30 HB2 HIS 30 -6.959 -12.535 1.413 234 2HB HIS 30 HB1 HIS 30 -8.456 -11.957 2.161 235 HD1 HIS 30 HD1 HIS 30 -8.655 -9.073 1.152 236 HD2 HIS 30 HD2 HIS 30 -7.400 -12.246 -1.276 237 HE1 HIS 30 HE1 HIS 30 -9.022 -8.391 -1.269 238 HA PRO 31 HA PRO 31 -3.608 -8.444 1.154 239 1HB PRO 31 HB2 PRO 31 -1.856 -10.092 -0.205 240 2HB PRO 31 HB1 PRO 31 -1.757 -9.775 1.535 241 1HG PRO 31 HG1 PRO 31 -2.711 -12.215 0.114 242 2HG PRO 31 HG2 PRO 31 -2.055 -12.045 1.765 243 1HD PRO 31 HD1 PRO 31 -4.790 -12.309 1.045 244 2HD PRO 31 HD2 PRO 31 -4.145 -11.858 2.651 245 H LEU 32 H LEU 32 -2.948 -7.601 -0.968 246 HA LEU 32 HA LEU 32 -4.407 -8.766 -3.295 247 1HB LEU 32 HB2 LEU 32 -4.381 -5.910 -2.269 248 2HB LEU 32 HB1 LEU 32 -4.725 -6.291 -3.965 249 HG LEU 32 HG LEU 32 -6.282 -7.346 -1.556 250 1HD1 LEU 32 HD1 LEU 32 -8.074 -5.877 -2.424 251 2HD1 LEU 32 HD1 LEU 32 -6.991 -5.318 -3.722 252 3HD1 LEU 32 HD1 LEU 32 -6.621 -4.933 -2.023 253 1HD2 LEU 32 HD2 LEU 32 -7.915 -8.017 -3.429 254 2HD2 LEU 32 HD2 LEU 32 -6.573 -7.759 -4.559 255 3HD2 LEU 32 HD2 LEU 32 -6.445 -9.002 -3.297 256 H THR 33 H THR 33 -3.266 -8.571 -5.286 257 HA THR 33 HA THR 33 -0.431 -8.344 -5.163 258 HB THR 33 HB THR 33 -0.497 -8.316 -7.626 259 HG1 THR 33 HG1 THR 33 -2.643 -8.298 -8.574 260 1HG2 THR 33 HG2 THR 33 -2.554 -10.151 -6.356 261 2HG2 THR 33 HG2 THR 33 -1.930 -10.343 -8.005 262 3HG2 THR 33 HG2 THR 33 -0.830 -10.487 -6.618 263 H LEU 34 H LEU 34 0.864 -6.747 -6.477 264 HA LEU 34 HA LEU 34 0.530 -4.108 -5.564 265 1HB LEU 34 HB2 LEU 34 2.536 -5.465 -6.723 266 2HB LEU 34 HB1 LEU 34 1.899 -4.706 -8.191 267 HG LEU 34 HG LEU 34 3.679 -3.319 -7.286 268 1HD1 LEU 34 HD1 LEU 34 1.583 -2.224 -8.213 269 2HD1 LEU 34 HD1 LEU 34 2.568 -1.206 -7.139 270 3HD1 LEU 34 HD1 LEU 34 1.075 -1.951 -6.529 271 1HD2 LEU 34 HD2 LEU 34 3.713 -2.442 -5.053 272 2HD2 LEU 34 HD2 LEU 34 3.431 -4.192 -4.915 273 3HD2 LEU 34 HD2 LEU 34 2.081 -3.052 -4.711 274 H ASP 35 H ASP 35 -0.279 -5.612 -8.742 275 HA ASP 35 HA ASP 35 -1.398 -3.321 -9.966 276 1HB ASP 35 H ASP 35 -2.179 -6.238 -10.366 277 2HB ASP 35 H ASP 35 -2.378 -4.909 -11.529 278 H GLU 36 H GLU 36 -3.011 -5.981 -8.101 279 HA GLU 36 HA GLU 36 -5.665 -5.073 -8.367 280 1HB GLU 36 H GLU 36 -4.211 -6.627 -6.210 281 2HB GLU 36 H GLU 36 -5.947 -6.275 -6.098 282 1HG GLU 36 H GLU 36 -6.476 -7.563 -7.991 283 2HG GLU 36 H GLU 36 -4.829 -7.474 -8.640 284 H ILE 37 H ILE 37 -3.054 -3.981 -6.192 285 HA ILE 37 HA ILE 37 -4.811 -2.316 -4.587 286 HB ILE 37 HB ILE 37 -1.797 -2.562 -4.900 287 1HG1 ILE 37 HG1 ILE 37 -3.537 -3.063 -2.460 288 2HG1 ILE 37 HG1 ILE 37 -3.295 -4.312 -3.698 289 1HG2 ILE 37 HG2 ILE 37 -1.658 -1.033 -2.921 290 2HG2 ILE 37 HG2 ILE 37 -3.397 -0.705 -3.082 291 3HG2 ILE 37 HG2 ILE 37 -2.271 -0.215 -4.370 292 1HD1 ILE 37 HD1 ILE 37 -1.655 -4.627 -1.927 293 2HD1 ILE 37 HD1 ILE 37 -0.817 -4.078 -3.395 294 3HD1 ILE 37 HD1 ILE 37 -1.121 -2.938 -2.063 295 H LEU 38 H LEU 38 -2.388 -1.697 -7.201 296 HA LEU 38 HA LEU 38 -2.482 1.052 -7.384 297 1HB LEU 38 HB2 LEU 38 -2.393 -1.071 -9.549 298 2HB LEU 38 HB1 LEU 38 -2.261 0.640 -9.907 299 HG LEU 38 HG LEU 38 -0.331 -1.117 -8.427 300 1HD1 LEU 38 HD1 LEU 38 1.242 -0.217 -10.037 301 2HD1 LEU 38 HD1 LEU 38 0.055 0.998 -10.582 302 3HD1 LEU 38 HD1 LEU 38 -0.215 -0.733 -10.912 303 1HD2 LEU 38 HD2 LEU 38 -0.529 0.809 -6.923 304 2HD2 LEU 38 HD2 LEU 38 0.991 0.934 -7.830 305 3HD2 LEU 38 HD2 LEU 38 -0.405 1.932 -8.301 306 H ASP 39 H ASP 39 -4.728 -1.201 -9.082 307 HA ASP 39 HA ASP 39 -6.252 0.636 -10.478 308 1HB ASP 39 H ASP 39 -6.448 -1.816 -10.656 309 2HB ASP 39 H ASP 39 -7.212 -1.878 -9.052 310 H GLU 40 H GLU 40 -7.115 -0.631 -7.199 311 HA GLU 40 HA GLU 40 -9.329 1.090 -6.826 312 1HB GLU 40 H GLU 40 -7.481 -0.366 -4.905 313 2HB GLU 40 H GLU 40 -8.919 0.533 -4.370 314 1HG GLU 40 H GLU 40 -9.647 -1.141 -6.617 315 2HG GLU 40 H GLU 40 -8.788 -2.133 -5.424 316 H THR 41 H THR 41 -5.841 1.552 -6.092 317 HA THR 41 HA THR 41 -6.355 4.094 -4.727 318 HB THR 41 HB THR 41 -3.856 4.186 -4.668 319 HG1 THR 41 HG1 THR 41 -3.958 2.625 -6.656 320 1HG2 THR 41 HG2 THR 41 -5.272 1.672 -3.714 321 2HG2 THR 41 HG2 THR 41 -3.634 2.133 -3.210 322 3HG2 THR 41 HG2 THR 41 -5.011 3.181 -2.806 323 H GLN 42 H GLN 42 -6.823 3.400 -7.849 324 HA GLN 42 HA GLN 42 -7.091 4.750 -9.668 325 1HB GLN 42 HB1 GLN 42 -5.747 7.004 -8.118 326 2HB GLN 42 HB2 GLN 42 -6.726 7.141 -9.585 327 1HG GLN 42 HG2 GLN 42 -8.734 6.589 -8.456 328 2HG GLN 42 HG1 GLN 42 -7.875 5.905 -7.061 329 1HE2 GLN 42 HE2 GLN 42 -7.664 9.027 -8.867 330 2HE2 GLN 42 HE2 GLN 42 -7.810 10.043 -7.451 331 H HIS 43 H HIS 43 -3.915 5.683 -8.177 332 HA HIS 43 HA HIS 43 -2.527 6.001 -10.607 333 1HB HIS 43 HB1 HIS 43 -0.705 4.908 -8.700 334 2HB HIS 43 HB2 HIS 43 -0.914 6.596 -9.174 335 HD1 HIS 43 HD1 HIS 43 -2.620 8.053 -7.642 336 HD2 HIS 43 HD2 HIS 43 -1.523 4.307 -6.128 337 HE1 HIS 43 HE1 HIS 43 -3.198 8.010 -5.161 338 H LEU 44 H LEU 44 -2.329 4.541 -12.239 339 HA LEU 44 HA LEU 44 -1.914 1.683 -11.504 340 1HB LEU 44 HB1 LEU 44 -4.026 2.819 -12.970 341 2HB LEU 44 HB2 LEU 44 -2.973 2.052 -14.181 342 HG LEU 44 HG LEU 44 -3.828 0.623 -11.622 343 1HD1 LEU 44 HD1 LEU 44 -5.159 0.560 -14.370 344 2HD1 LEU 44 HD1 LEU 44 -5.583 -0.473 -12.985 345 3HD1 LEU 44 HD1 LEU 44 -5.851 1.283 -12.899 346 1HD2 LEU 44 HD2 LEU 44 -3.304 -1.388 -13.020 347 2HD2 LEU 44 HD2 LEU 44 -2.768 -0.310 -14.330 348 3HD2 LEU 44 HD2 LEU 44 -1.892 -0.337 -12.782 349 H ASP 45 H ASP 45 -0.997 4.353 -13.627 350 HA ASP 45 HA ASP 45 1.103 2.696 -14.880 351 1HB ASP 45 H ASP 45 -0.239 4.155 -16.352 352 2HB ASP 45 H ASP 45 0.174 5.565 -15.352 353 H ILE 46 H ILE 46 0.443 5.518 -12.848 354 HA ILE 46 HA ILE 46 1.682 6.625 -11.316 355 HB ILE 46 HB ILE 46 3.508 4.261 -11.102 356 1HG1 ILE 46 HG1 ILE 46 0.681 4.287 -10.069 357 2HG1 ILE 46 HG1 ILE 46 1.303 3.247 -11.364 358 1HG2 ILE 46 HG2 ILE 46 3.599 6.400 -9.633 359 2HG2 ILE 46 HG2 ILE 46 2.053 5.850 -8.954 360 3HG2 ILE 46 HG2 ILE 46 3.509 4.852 -8.769 361 1HD1 ILE 46 HD1 ILE 46 1.861 3.152 -8.423 362 2HD1 ILE 46 HD1 ILE 46 3.190 2.731 -9.534 363 3HD1 ILE 46 HD1 ILE 46 1.671 1.836 -9.590 364 H GLY 47 H GLY 47 4.645 5.689 -11.006 365 1HA GLY 47 HA1 GLY 47 5.862 6.646 -13.523 366 2HA GLY 47 HA2 GLY 47 6.365 7.339 -11.952 367 H LEU 48 H LEU 48 7.805 5.442 -13.938 368 HA LEU 48 HA LEU 48 7.834 2.812 -13.049 369 1HB LEU 48 HB2 LEU 48 9.047 3.625 -15.040 370 2HB LEU 48 HB1 LEU 48 10.180 4.521 -14.005 371 HG LEU 48 HG LEU 48 10.918 2.372 -12.971 372 1HD1 LEU 48 HD1 LEU 48 10.219 0.249 -14.222 373 2HD1 LEU 48 HD1 LEU 48 8.917 1.214 -14.955 374 3HD1 LEU 48 HD1 LEU 48 8.967 0.977 -13.193 375 1HD2 LEU 48 HD2 LEU 48 12.133 1.516 -14.942 376 2HD2 LEU 48 HD2 LEU 48 12.100 3.296 -14.948 377 3HD2 LEU 48 HD2 LEU 48 11.011 2.382 -16.019 378 H LYS 49 H LYS 49 9.702 5.595 -11.730 379 HA LYS 49 HA LYS 49 11.205 4.157 -9.826 380 1HB LYS 49 H LYS 49 11.536 6.550 -10.531 381 2HB LYS 49 H LYS 49 10.107 6.989 -9.565 382 1HG LYS 49 H LYS 49 11.180 6.180 -7.523 383 2HG LYS 49 H LYS 49 12.560 5.553 -8.457 384 1HD LYS 49 H LYS 49 13.135 7.847 -9.176 385 2HD LYS 49 H LYS 49 11.724 8.486 -8.302 386 1HE LYS 49 H LYS 49 13.718 8.802 -6.931 387 2HE LYS 49 H LYS 49 12.677 7.581 -6.169 388 1HZ LYS 49 H LYS 49 15.006 6.960 -6.219 389 2HZ LYS 49 H LYS 49 15.001 6.984 -7.868 390 3HZ LYS 49 H LYS 49 14.074 5.889 -7.056 391 H GLN 50 H GLN 50 7.951 5.704 -9.550 392 HA GLN 50 HA GLN 50 7.574 5.073 -6.791 393 1HB GLN 50 HB2 GLN 50 5.710 5.746 -9.087 394 2HB GLN 50 HB1 GLN 50 5.091 5.329 -7.476 395 1HG GLN 50 HG1 GLN 50 5.243 7.691 -7.479 396 2HG GLN 50 HG2 GLN 50 6.639 7.130 -6.539 397 1HE2 GLN 50 HE2 GLN 50 7.420 9.363 -7.043 398 2HE2 GLN 50 HE2 GLN 50 8.294 9.603 -8.545 399 H LYS 51 H LYS 51 6.020 3.524 -9.686 400 HA LYS 51 HA LYS 51 4.785 1.382 -8.519 401 1HB LYS 51 H LYS 51 4.854 2.034 -10.968 402 2HB LYS 51 H LYS 51 6.436 1.232 -11.078 403 1HG LYS 51 H LYS 51 5.385 -0.895 -10.288 404 2HG LYS 51 H LYS 51 3.803 -0.084 -10.260 405 1HD LYS 51 H LYS 51 5.224 0.290 -12.822 406 2HD LYS 51 H LYS 51 4.940 -1.424 -12.445 407 1HE LYS 51 H LYS 51 3.033 -0.577 -13.695 408 2HE LYS 51 H LYS 51 2.525 -0.898 -12.024 409 1HZ LYS 51 H LYS 51 3.222 1.733 -13.147 410 2HZ LYS 51 H LYS 51 1.699 1.191 -12.795 411 3HZ LYS 51 H LYS 51 2.790 1.447 -11.581 412 H GLN 52 H GLN 52 8.256 1.463 -9.526 413 HA GLN 52 HA GLN 52 8.825 -1.198 -8.640 414 1HB GLN 52 HB2 GLN 52 10.180 0.165 -10.269 415 2HB GLN 52 HB1 GLN 52 10.725 1.173 -8.910 416 1HG GLN 52 HG1 GLN 52 12.412 -0.529 -9.360 417 2HG GLN 52 HG2 GLN 52 11.641 -0.882 -7.801 418 1HE2 GLN 52 HE2 GLN 52 12.070 -3.111 -7.817 419 2HE2 GLN 52 HE2 GLN 52 11.310 -4.212 -8.943 420 H TRP 53 H TRP 53 9.453 2.015 -7.122 421 HA TRP 53 HA TRP 53 10.669 1.153 -4.759 422 1HB TRP 53 HB1 TRP 53 10.628 3.461 -5.327 423 2HB TRP 53 HB2 TRP 53 8.864 3.487 -5.427 424 HD1 TRP 53 HD1 TRP 53 11.537 2.901 -2.728 425 HE1 TRP 53 HE1 TRP 53 10.772 3.940 -0.501 426 HE3 TRP 53 HE3 TRP 53 6.911 4.511 -4.171 427 HZ2 TRP 53 HZ2 TRP 53 8.450 5.296 0.496 428 HZ3 TRP 53 HZ3 TRP 53 5.438 5.664 -2.551 429 HH2 TRP 53 HH2 TRP 53 6.213 6.096 -0.237 430 H LEU 54 H LEU 54 7.159 1.558 -5.446 431 HA LEU 54 HA LEU 54 6.203 0.994 -2.874 432 1HB LEU 54 HB2 LEU 54 5.015 0.474 -5.621 433 2HB LEU 54 HB1 LEU 54 4.108 0.269 -4.108 434 HG LEU 54 HG LEU 54 5.508 2.876 -4.818 435 1HD1 LEU 54 HD1 LEU 54 3.880 2.306 -6.600 436 2HD1 LEU 54 HD1 LEU 54 2.620 2.072 -5.365 437 3HD1 LEU 54 HD1 LEU 54 3.324 3.684 -5.626 438 1HD2 LEU 54 HD2 LEU 54 3.691 3.743 -3.247 439 2HD2 LEU 54 HD2 LEU 54 4.936 2.734 -2.484 440 3HD2 LEU 54 HD2 LEU 54 3.339 2.045 -2.851 441 H MET 55 H MET 55 6.909 -1.191 -5.608 442 HA MET 55 HA MET 55 5.900 -3.524 -4.351 443 1HB MET 55 HB1 MET 55 6.332 -3.082 -6.825 444 2HB MET 55 HB2 MET 55 8.056 -3.369 -6.499 445 1HG MET 55 HG2 MET 55 7.524 -5.614 -5.630 446 2HG MET 55 HG1 MET 55 5.799 -5.322 -5.909 447 1HE MET 55 HE1 MET 55 7.346 -7.895 -6.904 448 2HE MET 55 HE2 MET 55 5.611 -7.590 -7.161 449 3HE MET 55 HE3 MET 55 6.641 -8.075 -8.528 450 H THR 56 H THR 56 9.325 -2.257 -4.554 451 HA THR 56 HA THR 56 10.013 -4.392 -2.573 452 HB THR 56 HB THR 56 10.911 -4.907 -4.765 453 HG1 THR 56 HG1 THR 56 12.158 -5.305 -2.854 454 1HG2 THR 56 HG2 THR 56 12.692 -3.398 -5.737 455 2HG2 THR 56 HG2 THR 56 11.053 -2.713 -5.787 456 3HG2 THR 56 HG2 THR 56 12.211 -2.157 -4.560 457 H GLU 57 H GLU 57 9.132 -1.780 -1.715 458 HA GLU 57 HA GLU 57 11.314 -1.302 0.096 459 1HB GLU 57 H GLU 57 12.081 0.021 -1.928 460 2HB GLU 57 H GLU 57 10.670 1.064 -1.669 461 1HG GLU 57 H GLU 57 11.426 1.510 0.658 462 2HG GLU 57 H GLU 57 12.839 0.468 0.393 463 H ALA 58 H ALA 58 8.622 0.688 -1.281 464 HA ALA 58 HA ALA 58 7.826 1.720 1.224 465 1HB ALA 58 HB1 ALA 58 5.751 1.291 -0.881 466 2HB ALA 58 HB2 ALA 58 7.170 2.270 -1.318 467 3HB ALA 58 HB3 ALA 58 6.148 2.746 0.053 468 H LEU 59 H LEU 59 6.177 -0.871 -0.700 469 HA LEU 59 HA LEU 59 4.582 -1.630 1.629 470 1HB LEU 59 HB2 LEU 59 4.832 -2.960 -1.100 471 2HB LEU 59 HB1 LEU 59 3.530 -3.190 0.078 472 HG LEU 59 HG LEU 59 4.181 -0.625 -1.442 473 1HD1 LEU 59 HD1 LEU 59 1.705 -2.394 -1.420 474 2HD1 LEU 59 HD1 LEU 59 1.996 -0.975 -2.455 475 3HD1 LEU 59 HD1 LEU 59 2.973 -2.445 -2.665 476 1HD2 LEU 59 HD2 LEU 59 3.465 0.007 0.797 477 2HD2 LEU 59 HD2 LEU 59 2.102 0.250 -0.314 478 3HD2 LEU 59 HD2 LEU 59 2.136 -1.174 0.750 479 H VAL 60 H VAL 60 7.508 -1.882 1.869 480 HA VAL 60 HA VAL 60 7.617 -4.781 2.516 481 HB VAL 60 HB VAL 60 9.826 -3.138 1.196 482 1HG1 VAL 60 HG1 VAL 60 9.684 -6.053 2.078 483 2HG1 VAL 60 HG1 VAL 60 10.975 -5.363 1.064 484 3HG1 VAL 60 HG1 VAL 60 10.755 -4.794 2.737 485 1HG2 VAL 60 HG2 VAL 60 8.230 -3.663 -0.496 486 2HG2 VAL 60 HG2 VAL 60 7.911 -5.273 0.193 487 3HG2 VAL 60 HG2 VAL 60 9.458 -4.942 -0.612 488 H ASN 61 H ASN 61 8.869 -1.451 3.023 489 HA ASN 61 HA ASN 61 10.033 -2.247 5.616 490 1HB ASN 61 HB2 ASN 61 11.284 -0.335 5.486 491 2HB ASN 61 HB1 ASN 61 10.964 -0.547 3.754 492 1HD2 ASN 61 HD2 ASN 61 9.173 0.709 2.790 493 2HD2 ASN 61 HD2 ASN 61 8.725 2.245 3.500 494 H ASN 62 H ASN 62 7.212 -0.538 4.265 495 HA ASN 62 HA ASN 62 6.419 0.941 6.512 496 1HB ASN 62 HB1 ASN 62 5.439 1.011 4.197 497 2HB ASN 62 HB2 ASN 62 4.577 -0.495 4.569 498 1HD2 ASN 62 HD2 ASN 62 4.014 2.660 4.246 499 2HD2 ASN 62 HD2 ASN 62 2.858 2.956 5.523 500 HA PRO 63 HA PRO 63 5.840 -2.458 9.351 501 1HB PRO 63 HB2 PRO 63 4.490 -0.774 11.260 502 2HB PRO 63 HB1 PRO 63 6.184 -1.339 11.288 503 1HG PRO 63 HG2 PRO 63 5.164 1.319 10.665 504 2HG PRO 63 HG1 PRO 63 6.861 0.785 10.820 505 1HD PRO 63 HD2 PRO 63 5.430 1.427 8.412 506 2HD PRO 63 HD1 PRO 63 7.099 0.801 8.561 507 H LYS 64 H LYS 64 3.230 -0.224 8.355 508 HA LYS 64 HA LYS 64 1.127 -1.983 9.377 509 1HB LYS 64 H LYS 64 1.156 0.584 7.762 510 2HB LYS 64 H LYS 64 -0.340 -0.304 8.126 511 1HG LYS 64 H LYS 64 -0.094 -0.002 10.473 512 2HG LYS 64 H LYS 64 1.620 0.453 10.320 513 1HD LYS 64 H LYS 64 0.269 2.451 10.758 514 2HD LYS 64 H LYS 64 0.949 2.531 9.116 515 1HE LYS 64 H LYS 64 -1.208 1.693 8.202 516 2HE LYS 64 H LYS 64 -1.878 1.642 9.846 517 1HZ LYS 64 H LYS 64 -1.562 3.995 9.988 518 2HZ LYS 64 H LYS 64 -2.474 3.639 8.661 519 3HZ LYS 64 H LYS 64 -0.888 4.051 8.485 520 H ILE 65 H ILE 65 3.202 -2.606 6.975 521 HA ILE 65 HA ILE 65 1.089 -3.880 5.294 522 HB ILE 65 HB ILE 65 3.698 -2.633 4.324 523 1HG1 ILE 65 HG1 ILE 65 1.847 -0.985 4.947 524 2HG1 ILE 65 HG1 ILE 65 2.386 -0.924 3.260 525 1HG2 ILE 65 HG2 ILE 65 1.486 -4.203 2.958 526 2HG2 ILE 65 HG2 ILE 65 2.574 -3.125 2.057 527 3HG2 ILE 65 HG2 ILE 65 3.238 -4.512 2.945 528 1HD1 ILE 65 HD1 ILE 65 -0.106 -0.838 3.496 529 2HD1 ILE 65 HD1 ILE 65 -0.069 -2.458 4.221 530 3HD1 ILE 65 HD1 ILE 65 0.447 -2.225 2.536 531 H GLU 66 H GLU 66 1.529 -5.989 4.645 532 HA GLU 66 HA GLU 66 4.163 -7.152 5.318 533 1HB GLU 66 H GLU 66 2.698 -7.348 7.358 534 2HB GLU 66 H GLU 66 1.541 -8.287 6.388 535 1HG GLU 66 H GLU 66 3.260 -9.987 5.943 536 2HG GLU 66 H GLU 66 4.471 -9.021 6.814 537 H VAL 67 H VAL 67 4.754 -8.709 3.873 538 HA VAL 67 HA VAL 67 2.887 -9.295 1.665 539 HB VAL 67 HB VAL 67 5.787 -10.171 2.017 540 1HG1 VAL 67 HG1 VAL 67 4.477 -11.350 0.272 541 2HG1 VAL 67 HG1 VAL 67 3.998 -9.786 -0.429 542 3HG1 VAL 67 HG1 VAL 67 5.704 -10.291 -0.461 543 1HG2 VAL 67 HG2 VAL 67 4.606 -7.604 0.890 544 2HG2 VAL 67 HG2 VAL 67 6.249 -8.163 0.502 545 3HG2 VAL 67 HG2 VAL 67 5.817 -7.766 2.181 546 H ILE 68 H ILE 68 1.861 -11.245 1.403 547 HA ILE 68 HA ILE 68 2.421 -13.315 3.485 548 HB ILE 68 HB ILE 68 -0.013 -12.928 1.694 549 1HG1 ILE 68 HG1 ILE 68 0.106 -11.057 3.246 550 2HG1 ILE 68 HG1 ILE 68 -1.131 -12.188 3.829 551 1HG2 ILE 68 HG2 ILE 68 0.140 -15.227 2.324 552 2HG2 ILE 68 HG2 ILE 68 -1.027 -14.497 3.450 553 3HG2 ILE 68 HG2 ILE 68 0.641 -14.822 3.980 554 1HD1 ILE 68 HD1 ILE 68 1.703 -11.849 4.895 555 2HD1 ILE 68 HD1 ILE 68 0.178 -11.504 5.736 556 3HD1 ILE 68 HD1 ILE 68 0.629 -13.182 5.372 557 H ASP 69 H ASP 69 1.359 -13.127 0.042 558 HA ASP 69 HA ASP 69 3.427 -15.064 -0.722 559 1HB ASP 69 H ASP 69 1.581 -16.517 0.050 560 2HB ASP 69 H ASP 69 0.449 -15.660 -1.018 561 H GLY 70 H GLY 70 4.029 -12.977 -1.738 562 1HA GLY 70 HA2 GLY 70 4.310 -11.890 -3.771 563 2HA GLY 70 HA1 GLY 70 2.955 -12.818 -4.450 564 H LYS 71 H LYS 71 0.975 -12.168 -2.457 565 HA LYS 71 HA LYS 71 0.289 -9.474 -3.384 566 1HB LYS 71 H LYS 71 -1.243 -11.447 -1.647 567 2HB LYS 71 H LYS 71 -1.890 -9.972 -2.380 568 1HG LYS 71 H LYS 71 -0.957 -11.110 -4.608 569 2HG LYS 71 H LYS 71 -1.168 -12.594 -3.653 570 1HD LYS 71 H LYS 71 -3.527 -11.852 -3.141 571 2HD LYS 71 H LYS 71 -3.284 -10.475 -4.236 572 1HE LYS 71 H LYS 71 -2.572 -12.340 -5.968 573 2HE LYS 71 H LYS 71 -3.479 -13.417 -4.887 574 1HZ LYS 71 H LYS 71 -5.379 -11.999 -5.162 575 2HZ LYS 71 H LYS 71 -4.541 -10.970 -6.146 576 3HZ LYS 71 H LYS 71 -4.849 -12.517 -6.634 577 H TYR 72 H TYR 72 -0.357 -7.764 -1.922 578 HA TYR 72 HA TYR 72 1.227 -7.806 0.611 579 1HB TYR 72 HB1 TYR 72 0.243 -5.500 -1.113 580 2HB TYR 72 HB2 TYR 72 1.216 -5.348 0.357 581 HD1 TYR 72 HD1 TYR 72 3.582 -5.610 0.307 582 HD2 TYR 72 HD2 TYR 72 1.241 -6.606 -3.170 583 HE1 TYR 72 HE1 TYR 72 5.660 -5.799 -1.039 584 HE2 TYR 72 HE2 TYR 72 3.322 -6.805 -4.509 585 HH TYR 72 HH TYR 72 6.533 -6.028 -3.162 586 H ALA 73 H ALA 73 0.192 -7.566 2.546 587 HA ALA 73 HA ALA 73 -2.707 -6.800 2.480 588 1HB ALA 73 HB1 ALA 73 -1.229 -9.015 3.882 589 2HB ALA 73 HB2 ALA 73 -2.855 -9.013 3.165 590 3HB ALA 73 HB3 ALA 73 -2.582 -8.235 4.734 591 H PHE 74 H PHE 74 -3.481 -5.560 4.225 592 HA PHE 74 HA PHE 74 -1.536 -3.776 5.437 593 1HB PHE 74 HB2 PHE 74 -3.599 -2.783 4.898 594 2HB PHE 74 HB1 PHE 74 -4.535 -4.141 5.534 595 HD1 PHE 74 HD1 PHE 74 -4.857 -4.409 7.972 596 HD2 PHE 74 HD2 PHE 74 -2.854 -0.976 6.335 597 HE1 PHE 74 HE1 PHE 74 -5.206 -3.204 10.104 598 HE2 PHE 74 HE2 PHE 74 -3.197 0.233 8.479 599 HZ PHE 74 HZ PHE 74 -4.380 -0.884 10.360 600 H LYS 75 H LYS 75 -0.403 -4.248 7.239 601 HA LYS 75 HA LYS 75 -1.059 -6.634 8.763 602 1HB LYS 75 H LYS 75 1.272 -5.735 8.110 603 2HB LYS 75 H LYS 75 1.057 -4.580 9.441 604 1HG LYS 75 H LYS 75 0.622 -6.518 10.990 605 2HG LYS 75 H LYS 75 0.954 -7.627 9.636 606 1HD LYS 75 H LYS 75 3.055 -7.529 10.638 607 2HD LYS 75 H LYS 75 3.197 -6.219 9.442 608 1HE LYS 75 H LYS 75 2.210 -4.732 11.401 609 2HE LYS 75 H LYS 75 2.795 -6.054 12.433 610 1HZ LYS 75 H LYS 75 4.483 -4.462 12.231 611 2HZ LYS 75 H LYS 75 4.956 -5.756 11.323 612 3HZ LYS 75 H LYS 75 4.363 -4.400 10.585 613 HA PRO 76 HA PRO 76 -3.711 -4.317 11.508 614 1HB PRO 76 HB2 PRO 76 -3.775 -6.388 13.477 615 2HB PRO 76 HB1 PRO 76 -4.980 -6.069 12.198 616 1HG PRO 76 HG2 PRO 76 -2.982 -8.211 12.352 617 2HG PRO 76 HG1 PRO 76 -4.355 -8.031 11.223 618 1HD PRO 76 HD1 PRO 76 -1.581 -7.632 10.656 619 2HD PRO 76 HD2 PRO 76 -2.969 -7.271 9.586 620 H LYS 77 H LYS 77 -2.912 -2.710 12.760 621 HA LYS 77 HA LYS 77 -0.398 -3.039 14.195 622 1HB LYS 77 H LYS 77 -0.963 -0.920 13.074 623 2HB LYS 77 H LYS 77 -2.412 -0.749 14.092 624 1HG LYS 77 H LYS 77 -1.030 -0.613 16.113 625 2HG LYS 77 H LYS 77 0.443 -0.919 15.167 626 1HD LYS 77 H LYS 77 -1.337 1.387 14.374 627 2HD LYS 77 H LYS 77 -0.301 1.571 15.808 628 1HE LYS 77 H LYS 77 0.787 0.593 13.139 629 2HE LYS 77 H LYS 77 0.692 2.318 13.549 630 1HZ LYS 77 H LYS 77 2.046 1.877 15.466 631 2HZ LYS 77 H LYS 77 2.138 0.275 15.088 632 3HZ LYS 77 H LYS 77 2.821 1.397 14.092 633 H TYR 78 H TYR 78 -0.229 -3.861 16.189 634 HA TYR 78 HA TYR 78 -2.552 -4.515 17.768 635 1HB TYR 78 HB1 TYR 78 -0.678 -5.096 19.483 636 2HB TYR 78 HB2 TYR 78 -0.821 -6.048 18.000 637 HD1 TYR 78 HD1 TYR 78 1.289 -3.712 19.900 638 HD2 TYR 78 HD2 TYR 78 0.818 -5.794 16.156 639 HE1 TYR 78 HE1 TYR 78 3.662 -3.249 19.341 640 HE2 TYR 78 HE2 TYR 78 3.194 -5.330 15.602 641 HH TYR 78 HH TYR 78 5.358 -3.555 17.833 642 H ASN 79 H ASN 79 -3.432 -2.288 17.815 643 HA ASN 79 HA ASN 79 -2.867 -1.045 20.363 644 1HB ASN 79 HB2 ASN 79 -1.021 -0.063 19.027 645 2HB ASN 79 HB1 ASN 79 -2.195 0.505 17.824 646 1HD2 ASN 79 HD2 ASN 79 -1.788 0.583 21.421 647 2HD2 ASN 79 HD2 ASN 79 -2.211 2.273 21.597 648 H VAL 80 H VAL 80 -4.241 -0.529 17.069 649 HA VAL 80 HA VAL 80 -6.839 0.190 18.367 650 HB VAL 80 HB VAL 80 -6.002 1.253 15.653 651 1HG1 VAL 80 HG1 VAL 80 -7.805 2.314 17.880 652 2HG1 VAL 80 HG1 VAL 80 -8.366 1.467 16.421 653 3HG1 VAL 80 HG1 VAL 80 -7.578 3.053 16.277 654 1HG2 VAL 80 HG2 VAL 80 -5.267 2.395 18.383 655 2HG2 VAL 80 HG2 VAL 80 -4.163 1.971 17.051 656 3HG2 VAL 80 HG2 VAL 80 -5.267 3.353 16.883 657 H ARG 81 H ARG 81 -5.723 -2.440 17.513 658 HA ARG 81 HA ARG 81 -8.004 -3.396 16.050 659 1HB ARG 81 H ARG 81 -6.785 -2.427 14.136 660 2HB ARG 81 H ARG 81 -5.307 -3.286 14.618 661 1HG ARG 81 H ARG 81 -6.484 -4.443 12.768 662 2HG ARG 81 H ARG 81 -6.413 -5.457 14.226 663 1HD ARG 81 H ARG 81 -8.705 -5.058 14.741 664 2HD ARG 81 H ARG 81 -8.801 -3.677 13.626 665 HE ARG 81 H ARG 81 -8.112 -5.930 12.082 666 1HH1 ARG 81 H ARG 81 -10.780 -4.895 14.166 667 2HH1 ARG 81 H ARG 81 -12.008 -5.730 13.244 668 1HH2 ARG 81 H ARG 81 -9.739 -7.012 10.850 669 2HH2 ARG 81 H ARG 81 -11.410 -6.956 11.361 Start of MODEL 12 1 1H ALA 1 H1 ALA 1 -0.521 26.087 1.173 2 2H ALA 1 H2 ALA 1 1.121 26.039 1.330 3 3H ALA 1 H3 ALA 1 0.292 24.681 0.893 4 HA ALA 1 HA ALA 1 0.479 27.140 -0.693 5 1HB ALA 1 HB1 ALA 1 1.907 25.825 -2.208 6 2HB ALA 1 HB2 ALA 1 2.627 25.912 -0.583 7 3HB ALA 1 HB3 ALA 1 1.802 24.426 -1.112 8 H LEU 2 H LEU 2 -0.230 26.700 -2.996 9 HA LEU 2 HA LEU 2 -2.125 24.499 -3.361 10 1HB LEU 2 HB1 LEU 2 -3.501 26.139 -2.133 11 2HB LEU 2 HB2 LEU 2 -3.030 27.414 -3.278 12 HG LEU 2 HG LEU 2 -4.095 26.101 -5.134 13 1HD1 LEU 2 HD1 LEU 2 -3.963 23.837 -4.303 14 2HD1 LEU 2 HD1 LEU 2 -5.688 24.251 -4.383 15 3HD1 LEU 2 HD1 LEU 2 -4.843 24.266 -2.817 16 1HD2 LEU 2 HD2 LEU 2 -5.910 26.650 -2.745 17 2HD2 LEU 2 HD2 LEU 2 -5.350 27.863 -3.922 18 3HD2 LEU 2 HD2 LEU 2 -6.424 26.545 -4.446 19 H SER 3 H SER 3 -1.679 23.805 -5.375 20 HA SER 3 HA SER 3 -1.476 25.736 -7.576 21 1HB SER 3 HB1 SER 3 0.832 23.846 -6.921 22 2HB SER 3 HB2 SER 3 0.714 24.918 -8.336 23 HG SER 3 HG SER 3 0.332 26.557 -6.467 24 H GLY 4 H GLY 4 -0.656 22.286 -6.820 25 1HA GLY 4 HA2 GLY 4 -2.849 21.016 -7.884 26 2HA GLY 4 HA1 GLY 4 -1.839 21.365 -9.307 27 H SER 5 H SER 5 -1.680 19.954 -5.996 28 HA SER 5 HA SER 5 -0.229 17.637 -6.981 29 1HB SER 5 HB1 SER 5 1.744 18.059 -5.439 30 2HB SER 5 HB2 SER 5 1.673 19.129 -6.858 31 HG SER 5 HG SER 5 0.659 19.775 -4.280 32 H SER 6 H SER 6 0.065 16.024 -5.252 33 HA SER 6 HA SER 6 -1.264 16.583 -2.682 34 1HB SER 6 HB1 SER 6 -2.284 14.433 -4.592 35 2HB SER 6 HB2 SER 6 -2.878 14.753 -2.945 36 HG SER 6 HG SER 6 -3.083 17.038 -3.977 37 H GLY 7 H GLY 7 1.344 16.228 -2.805 38 1HA GLY 7 HA2 GLY 7 2.953 14.955 -1.731 39 2HA GLY 7 HA1 GLY 7 1.761 13.659 -1.495 40 H TYR 8 H TYR 8 4.323 12.986 -2.188 41 HA TYR 8 HA TYR 8 4.156 12.246 -5.069 42 1HB TYR 8 HB1 TYR 8 6.011 13.774 -4.461 43 2HB TYR 8 HB2 TYR 8 6.570 12.602 -3.262 44 HD1 TYR 8 HD1 TYR 8 5.324 11.318 -6.509 45 HD2 TYR 8 HD2 TYR 8 8.795 12.646 -4.320 46 HE1 TYR 8 HE1 TYR 8 6.797 10.263 -8.197 47 HE2 TYR 8 HE2 TYR 8 10.262 11.586 -6.014 48 HH TYR 8 HH TYR 8 8.970 9.626 -8.693 49 H LYS 9 H LYS 9 6.620 10.572 -3.711 50 HA LYS 9 HA LYS 9 5.445 8.021 -3.832 51 1HB LYS 9 H LYS 9 7.626 8.472 -1.818 52 2HB LYS 9 H LYS 9 7.474 7.229 -3.074 53 1HG LYS 9 H LYS 9 7.818 9.201 -4.748 54 2HG LYS 9 H LYS 9 8.465 10.065 -3.333 55 1HD LYS 9 H LYS 9 9.448 7.409 -4.479 56 2HD LYS 9 H LYS 9 10.307 8.965 -4.517 57 1HE LYS 9 H LYS 9 9.606 7.338 -2.030 58 2HE LYS 9 H LYS 9 11.220 7.553 -2.733 59 1HZ LYS 9 H LYS 9 10.914 9.013 -0.908 60 2HZ LYS 9 H LYS 9 9.541 9.656 -1.557 61 3HZ LYS 9 H LYS 9 10.997 9.911 -2.289 62 H PHE 10 H PHE 10 5.917 10.265 -1.116 63 HA PHE 10 HA PHE 10 4.919 8.624 0.954 64 1HB PHE 10 HB2 PHE 10 4.640 11.633 0.869 65 2HB PHE 10 HB1 PHE 10 5.005 10.591 2.253 66 HD1 PHE 10 HD1 PHE 10 6.386 12.812 -0.138 67 HD2 PHE 10 HD2 PHE 10 7.271 9.178 2.002 68 HE1 PHE 10 HE1 PHE 10 8.810 13.162 -0.547 69 HE2 PHE 10 HE2 PHE 10 9.696 9.533 1.596 70 HZ PHE 10 HZ PHE 10 10.466 11.526 0.320 71 H GLY 11 H GLY 11 3.297 10.976 -1.230 72 1HA GLY 11 HA2 GLY 11 0.754 10.946 0.032 73 2HA GLY 11 HA1 GLY 11 1.077 11.365 -1.664 74 H VAL 12 H VAL 12 2.004 9.088 -2.801 75 HA VAL 12 HA VAL 12 -0.352 7.558 -3.217 76 HB VAL 12 HB VAL 12 2.586 7.090 -3.872 77 1HG1 VAL 12 HG1 VAL 12 1.637 5.371 -5.510 78 2HG1 VAL 12 HG1 VAL 12 1.620 4.885 -3.800 79 3HG1 VAL 12 HG1 VAL 12 0.124 5.445 -4.581 80 1HG2 VAL 12 HG2 VAL 12 1.421 8.984 -5.000 81 2HG2 VAL 12 HG2 VAL 12 1.831 7.688 -6.148 82 3HG2 VAL 12 HG2 VAL 12 0.159 7.861 -5.562 83 H LEU 13 H LEU 13 2.609 6.879 -1.267 84 HA LEU 13 HA LEU 13 1.896 4.259 -0.473 85 1HB LEU 13 HB2 LEU 13 4.140 5.153 -0.203 86 2HB LEU 13 HB1 LEU 13 3.555 6.406 0.912 87 HG LEU 13 HG LEU 13 2.895 4.676 2.545 88 1HD1 LEU 13 HD1 LEU 13 3.781 2.811 0.318 89 2HD1 LEU 13 HD1 LEU 13 3.771 2.283 2.016 90 3HD1 LEU 13 HD1 LEU 13 2.260 2.797 1.236 91 1HD2 LEU 13 HD2 LEU 13 5.188 3.810 3.062 92 2HD2 LEU 13 HD2 LEU 13 5.728 4.362 1.461 93 3HD2 LEU 13 HD2 LEU 13 5.179 5.544 2.669 94 H ALA 14 H ALA 14 1.362 7.412 1.227 95 HA ALA 14 HA ALA 14 0.014 6.352 3.473 96 1HB ALA 14 HB1 ALA 14 -0.342 9.033 2.065 97 2HB ALA 14 HB2 ALA 14 0.852 8.664 3.332 98 3HB ALA 14 HB3 ALA 14 -0.886 8.652 3.716 99 H LYS 15 H LYS 15 -1.241 7.437 0.275 100 HA LYS 15 HA LYS 15 -3.996 7.117 0.834 101 1HB LYS 15 H LYS 15 -2.849 8.206 -1.190 102 2HB LYS 15 H LYS 15 -2.645 6.566 -1.836 103 1HG LYS 15 H LYS 15 -4.692 7.114 -2.793 104 2HG LYS 15 H LYS 15 -5.250 6.385 -1.272 105 1HD LYS 15 H LYS 15 -6.433 8.346 -1.107 106 2HD LYS 15 H LYS 15 -4.903 8.950 -0.429 107 1HE LYS 15 H LYS 15 -5.771 9.134 -3.354 108 2HE LYS 15 H LYS 15 -5.779 10.469 -2.183 109 1HZ LYS 15 H LYS 15 -3.406 10.227 -1.992 110 2HZ LYS 15 H LYS 15 -3.840 10.524 -3.556 111 3HZ LYS 15 H LYS 15 -3.404 9.001 -3.096 112 H ILE 16 H ILE 16 -1.614 4.825 -0.606 113 HA ILE 16 HA ILE 16 -3.392 2.657 -0.957 114 HB ILE 16 HB ILE 16 -0.388 2.885 -0.581 115 1HG1 ILE 16 HG1 ILE 16 -2.049 2.012 -2.985 116 2HG1 ILE 16 HG1 ILE 16 -1.630 3.711 -2.676 117 1HG2 ILE 16 HG2 ILE 16 -2.080 0.395 -1.061 118 2HG2 ILE 16 HG2 ILE 16 -0.948 0.686 0.280 119 3HG2 ILE 16 HG2 ILE 16 -0.332 0.473 -1.370 120 1HD1 ILE 16 HD1 ILE 16 0.813 2.976 -2.575 121 2HD1 ILE 16 HD1 ILE 16 0.044 2.852 -4.175 122 3HD1 ILE 16 HD1 ILE 16 0.279 1.394 -3.187 123 H VAL 17 H VAL 17 -1.230 3.471 1.821 124 HA VAL 17 HA VAL 17 -1.818 1.190 3.386 125 HB VAL 17 HB VAL 17 -0.866 4.005 3.967 126 1HG1 VAL 17 HG1 VAL 17 -0.426 3.180 6.332 127 2HG1 VAL 17 HG1 VAL 17 -1.529 1.826 5.991 128 3HG1 VAL 17 HG1 VAL 17 -2.135 3.501 5.959 129 1HG2 VAL 17 HG2 VAL 17 0.406 1.276 4.444 130 2HG2 VAL 17 HG2 VAL 17 0.604 2.205 2.937 131 3HG2 VAL 17 HG2 VAL 17 1.205 2.866 4.475 132 H ASN 18 H ASN 18 -3.366 4.459 3.385 133 HA ASN 18 HA ASN 18 -5.250 3.923 5.429 134 1HB ASN 18 HB2 ASN 18 -4.734 6.175 4.592 135 2HB ASN 18 HB1 ASN 18 -5.438 5.767 3.013 136 1HD2 ASN 18 HD2 ASN 18 -6.159 6.217 6.486 137 2HD2 ASN 18 HD2 ASN 18 -7.868 6.538 6.280 138 H TYR 19 H TYR 19 -5.511 3.573 1.852 139 HA TYR 19 HA TYR 19 -8.216 2.715 1.803 140 1HB TYR 19 HB2 TYR 19 -7.515 3.238 -0.310 141 2HB TYR 19 HB1 TYR 19 -5.859 2.690 -0.012 142 HD1 TYR 19 HD1 TYR 19 -9.306 1.180 -0.228 143 HD2 TYR 19 HD2 TYR 19 -5.129 0.853 -1.226 144 HE1 TYR 19 HE1 TYR 19 -9.750 -0.955 -1.405 145 HE2 TYR 19 HE2 TYR 19 -5.578 -1.287 -2.400 146 HH TYR 19 HH TYR 19 -7.397 -2.572 -3.391 147 H MET 20 H MET 20 -5.185 0.738 1.633 148 HA MET 20 HA MET 20 -6.388 -1.782 1.646 149 1HB MET 20 HB2 MET 20 -3.722 -0.788 2.712 150 2HB MET 20 HB1 MET 20 -4.182 -2.506 2.742 151 1HG MET 20 HG2 MET 20 -4.507 -2.512 0.326 152 2HG MET 20 HG1 MET 20 -4.192 -0.776 0.245 153 1HE MET 20 HE1 MET 20 -1.033 -4.021 1.196 154 2HE MET 20 HE2 MET 20 -2.778 -4.299 0.985 155 3HE MET 20 HE3 MET 20 -2.178 -3.455 2.431 156 H LYS 21 H LYS 21 -5.521 0.342 4.426 157 HA LYS 21 HA LYS 21 -6.152 -1.534 6.460 158 1HB LYS 21 H LYS 21 -4.966 0.528 6.968 159 2HB LYS 21 H LYS 21 -6.353 1.499 6.430 160 1HG LYS 21 H LYS 21 -7.750 0.601 8.208 161 2HG LYS 21 H LYS 21 -6.501 -0.568 8.662 162 1HD LYS 21 H LYS 21 -6.405 1.239 10.242 163 2HD LYS 21 H LYS 21 -4.984 1.369 9.189 164 1HE LYS 21 H LYS 21 -6.139 3.551 9.635 165 2HE LYS 21 H LYS 21 -5.991 3.146 7.916 166 1HZ LYS 21 H LYS 21 -8.405 2.516 9.459 167 2HZ LYS 21 H LYS 21 -8.224 2.587 7.820 168 3HZ LYS 21 H LYS 21 -8.198 3.975 8.710 169 H THR 22 H THR 22 -8.149 1.229 5.314 170 HA THR 22 HA THR 22 -10.529 0.628 6.585 171 HB THR 22 HB THR 22 -10.278 1.606 3.705 172 HG1 THR 22 HG1 THR 22 -8.990 2.926 4.832 173 1HG2 THR 22 HG2 THR 22 -12.316 2.908 4.335 174 2HG2 THR 22 HG2 THR 22 -12.589 1.153 4.426 175 3HG2 THR 22 HG2 THR 22 -12.328 2.091 5.916 176 H ARG 23 H ARG 23 -9.395 -0.748 3.431 177 HA ARG 23 HA ARG 23 -11.726 -2.324 2.956 178 1HB ARG 23 H ARG 23 -10.057 -1.749 1.229 179 2HB ARG 23 H ARG 23 -8.838 -2.741 2.062 180 1HG ARG 23 H ARG 23 -9.916 -4.754 1.525 181 2HG ARG 23 H ARG 23 -11.492 -3.963 1.277 182 1HD ARG 23 H ARG 23 -10.637 -2.883 -0.771 183 2HD ARG 23 H ARG 23 -9.051 -3.648 -0.523 184 HE ARG 23 H ARG 23 -10.987 -5.704 -0.539 185 1HH1 ARG 23 H ARG 23 -9.633 -3.289 -2.744 186 2HH1 ARG 23 H ARG 23 -10.038 -4.192 -4.194 187 1HH2 ARG 23 H ARG 23 -11.302 -6.983 -2.414 188 2HH2 ARG 23 H ARG 23 -10.937 -6.320 -4.000 189 H HIS 24 H HIS 24 -8.654 -2.978 4.671 190 HA HIS 24 HA HIS 24 -9.158 -5.739 5.233 191 1HB HIS 24 HB2 HIS 24 -6.933 -4.710 5.242 192 2HB HIS 24 HB1 HIS 24 -7.404 -3.644 6.568 193 HD1 HIS 24 HD1 HIS 24 -6.211 -7.130 5.823 194 HD2 HIS 24 HD2 HIS 24 -7.469 -4.888 9.123 195 HE1 HIS 24 HE1 HIS 24 -5.556 -8.405 7.926 196 H GLN 25 H GLN 25 -10.038 -2.690 6.866 197 HA GLN 25 HA GLN 25 -10.886 -3.898 9.332 198 1HB GLN 25 HB2 GLN 25 -11.363 -1.231 7.965 199 2HB GLN 25 HB1 GLN 25 -12.195 -1.651 9.474 200 1HG GLN 25 HG2 GLN 25 -9.917 -2.176 10.475 201 2HG GLN 25 HG1 GLN 25 -9.189 -1.491 9.008 202 1HE2 GLN 25 HE2 GLN 25 -11.641 -0.687 11.537 203 2HE2 GLN 25 HE2 GLN 25 -11.200 1.000 11.674 204 H ARG 26 H ARG 26 -12.481 -3.180 6.210 205 HA ARG 26 HA ARG 26 -15.164 -3.607 7.067 206 1HB ARG 26 H ARG 26 -13.728 -3.770 4.406 207 2HB ARG 26 H ARG 26 -15.456 -4.165 4.548 208 1HG ARG 26 H ARG 26 -15.966 -1.960 5.410 209 2HG ARG 26 H ARG 26 -14.241 -1.558 5.557 210 1HD ARG 26 H ARG 26 -15.222 -0.516 3.548 211 2HD ARG 26 H ARG 26 -13.984 -1.702 3.103 212 HE ARG 26 H ARG 26 -16.930 -1.972 2.769 213 1HH1 ARG 26 H ARG 26 -13.699 -3.414 2.382 214 2HH1 ARG 26 H ARG 26 -14.210 -4.532 1.142 215 1HH2 ARG 26 H ARG 26 -17.579 -3.472 1.153 216 2HH2 ARG 26 H ARG 26 -16.424 -4.599 0.479 217 H GLY 27 H GLY 27 -12.910 -5.876 5.342 218 1HA GLY 27 HA1 GLY 27 -13.491 -8.158 6.865 219 2HA GLY 27 HA2 GLY 27 -14.706 -8.113 5.567 220 H ASP 28 H ASP 28 -13.004 -6.823 3.596 221 HA ASP 28 HA ASP 28 -11.625 -9.126 2.516 222 1HB ASP 28 H ASP 28 -12.822 -7.320 1.231 223 2HB ASP 28 H ASP 28 -11.519 -6.209 1.679 224 H THR 29 H THR 29 -10.212 -9.579 4.354 225 HA THR 29 HA THR 29 -8.107 -7.614 4.969 226 HB THR 29 HB THR 29 -7.472 -9.344 6.684 227 HG1 THR 29 HG1 THR 29 -9.876 -10.631 5.931 228 1HG2 THR 29 HG2 THR 29 -10.318 -8.299 6.559 229 2HG2 THR 29 HG2 THR 29 -9.683 -9.166 7.975 230 3HG2 THR 29 HG2 THR 29 -8.932 -7.646 7.456 231 H HIS 30 H HIS 30 -8.569 -10.398 2.899 232 HA HIS 30 HA HIS 30 -5.950 -11.459 2.975 233 1HB HIS 30 HB1 HIS 30 -6.618 -12.806 1.238 234 2HB HIS 30 HB2 HIS 30 -8.196 -12.310 1.868 235 HD1 HIS 30 HD1 HIS 30 -8.771 -9.667 0.598 236 HD2 HIS 30 HD2 HIS 30 -6.805 -12.719 -1.491 237 HE1 HIS 30 HE1 HIS 30 -9.062 -9.217 -1.873 238 HA PRO 31 HA PRO 31 -3.569 -8.444 0.852 239 1HB PRO 31 HB2 PRO 31 -1.711 -10.166 -0.390 240 2HB PRO 31 HB1 PRO 31 -1.582 -9.507 1.248 241 1HG PRO 31 HG1 PRO 31 -2.218 -12.246 0.395 242 2HG PRO 31 HG2 PRO 31 -1.791 -11.638 2.018 243 1HD PRO 31 HD2 PRO 31 -4.388 -12.383 1.059 244 2HD PRO 31 HD1 PRO 31 -3.960 -11.679 2.646 245 H LEU 32 H LEU 32 -3.002 -7.571 -1.230 246 HA LEU 32 HA LEU 32 -4.304 -8.912 -3.576 247 1HB LEU 32 HB2 LEU 32 -4.261 -5.992 -2.712 248 2HB LEU 32 HB1 LEU 32 -4.632 -6.490 -4.369 249 HG LEU 32 HG LEU 32 -6.176 -7.347 -1.877 250 1HD1 LEU 32 HD1 LEU 32 -7.942 -5.883 -2.828 251 2HD1 LEU 32 HD1 LEU 32 -6.467 -4.960 -2.470 252 3HD1 LEU 32 HD1 LEU 32 -6.844 -5.416 -4.153 253 1HD2 LEU 32 HD2 LEU 32 -6.350 -9.089 -3.568 254 2HD2 LEU 32 HD2 LEU 32 -7.847 -8.138 -3.620 255 3HD2 LEU 32 HD2 LEU 32 -6.595 -7.883 -4.851 256 H THR 33 H THR 33 -3.133 -8.697 -5.582 257 HA THR 33 HA THR 33 -0.294 -8.470 -5.419 258 HB THR 33 HB THR 33 -0.300 -8.445 -7.857 259 HG1 THR 33 HG1 THR 33 -2.835 -8.485 -8.485 260 1HG2 THR 33 HG2 THR 33 -0.767 -10.617 -6.936 261 2HG2 THR 33 HG2 THR 33 -1.850 -10.388 -8.325 262 3HG2 THR 33 HG2 THR 33 -2.479 -10.212 -6.672 263 H LEU 34 H LEU 34 0.995 -6.807 -6.736 264 HA LEU 34 HA LEU 34 0.636 -4.228 -5.643 265 1HB LEU 34 HB2 LEU 34 2.678 -5.505 -6.853 266 2HB LEU 34 HB1 LEU 34 2.084 -4.607 -8.263 267 HG LEU 34 HG LEU 34 3.804 -3.285 -7.212 268 1HD1 LEU 34 HD1 LEU 34 1.175 -2.072 -6.278 269 2HD1 LEU 34 HD1 LEU 34 1.685 -2.113 -7.983 270 3HD1 LEU 34 HD1 LEU 34 2.651 -1.221 -6.785 271 1HD2 LEU 34 HD2 LEU 34 2.234 -3.437 -4.609 272 2HD2 LEU 34 HD2 LEU 34 3.799 -2.642 -4.877 273 3HD2 LEU 34 HD2 LEU 34 3.673 -4.410 -4.979 274 H ASP 35 H ASP 35 0.093 -5.353 -9.044 275 HA ASP 35 HA ASP 35 -1.005 -2.978 -10.036 276 1HB ASP 35 H ASP 35 -1.484 -5.886 -10.769 277 2HB ASP 35 H ASP 35 -2.105 -4.520 -11.721 278 H GLU 36 H GLU 36 -2.703 -5.725 -8.391 279 HA GLU 36 HA GLU 36 -5.349 -4.841 -8.744 280 1HB GLU 36 H GLU 36 -3.920 -6.408 -6.602 281 2HB GLU 36 H GLU 36 -5.625 -5.955 -6.380 282 1HG GLU 36 H GLU 36 -6.356 -7.266 -8.153 283 2HG GLU 36 H GLU 36 -4.812 -7.147 -9.020 284 H ILE 37 H ILE 37 -3.025 -3.985 -6.112 285 HA ILE 37 HA ILE 37 -4.760 -2.233 -4.715 286 HB ILE 37 HB ILE 37 -1.732 -2.405 -4.984 287 1HG1 ILE 37 HG1 ILE 37 -3.464 -2.941 -2.550 288 2HG1 ILE 37 HG1 ILE 37 -3.269 -4.175 -3.813 289 1HG2 ILE 37 HG2 ILE 37 -1.682 -0.902 -2.959 290 2HG2 ILE 37 HG2 ILE 37 -3.411 -0.574 -3.211 291 3HG2 ILE 37 HG2 ILE 37 -2.218 -0.079 -4.435 292 1HD1 ILE 37 HD1 ILE 37 -0.802 -4.049 -3.554 293 2HD1 ILE 37 HD1 ILE 37 -1.606 -4.505 -2.034 294 3HD1 ILE 37 HD1 ILE 37 -1.007 -2.847 -2.257 295 H LEU 38 H LEU 38 -2.573 -1.608 -7.532 296 HA LEU 38 HA LEU 38 -2.859 1.231 -7.517 297 1HB LEU 38 HB2 LEU 38 -2.506 -0.573 -9.945 298 2HB LEU 38 HB1 LEU 38 -2.126 1.149 -9.839 299 HG LEU 38 HG LEU 38 -0.755 -1.103 -8.341 300 1HD1 LEU 38 HD1 LEU 38 1.186 -0.468 -9.675 301 2HD1 LEU 38 HD1 LEU 38 -0.181 -0.851 -10.744 302 3HD1 LEU 38 HD1 LEU 38 0.261 0.844 -10.434 303 1HD2 LEU 38 HD2 LEU 38 -0.800 0.842 -6.866 304 2HD2 LEU 38 HD2 LEU 38 0.830 0.696 -7.566 305 3HD2 LEU 38 HD2 LEU 38 -0.303 1.900 -8.204 306 H ASP 39 H ASP 39 -5.023 -1.360 -8.634 307 HA ASP 39 HA ASP 39 -6.606 0.248 -10.387 308 1HB ASP 39 H ASP 39 -6.547 -2.277 -10.278 309 2HB ASP 39 H ASP 39 -7.506 -2.178 -8.787 310 H GLU 40 H GLU 40 -7.322 -0.869 -6.995 311 HA GLU 40 HA GLU 40 -9.628 0.720 -6.635 312 1HB GLU 40 H GLU 40 -7.550 -0.414 -4.736 313 2HB GLU 40 H GLU 40 -8.904 0.562 -4.144 314 1HG GLU 40 H GLU 40 -9.991 -1.444 -4.052 315 2HG GLU 40 H GLU 40 -10.278 -1.131 -5.771 316 H THR 41 H THR 41 -6.411 1.430 -5.151 317 HA THR 41 HA THR 41 -7.027 4.292 -5.066 318 HB THR 41 HB THR 41 -4.486 4.253 -4.362 319 HG1 THR 41 HG1 THR 41 -4.401 1.965 -5.109 320 1HG2 THR 41 HG2 THR 41 -6.370 4.698 -2.845 321 2HG2 THR 41 HG2 THR 41 -6.683 2.953 -2.709 322 3HG2 THR 41 HG2 THR 41 -5.175 3.640 -2.061 323 H GLN 42 H GLN 42 -7.445 4.696 -7.244 324 HA GLN 42 HA GLN 42 -6.270 3.985 -9.553 325 1HB GLN 42 HB1 GLN 42 -8.153 5.581 -9.276 326 2HB GLN 42 HB2 GLN 42 -6.996 6.846 -8.809 327 1HG GLN 42 HG2 GLN 42 -5.908 5.880 -11.184 328 2HG GLN 42 HG1 GLN 42 -7.652 5.764 -11.487 329 1HE2 GLN 42 HE2 GLN 42 -5.196 8.028 -10.123 330 2HE2 GLN 42 HE2 GLN 42 -5.906 9.477 -10.807 331 H HIS 43 H HIS 43 -4.056 3.448 -9.179 332 HA HIS 43 HA HIS 43 -2.240 5.729 -9.745 333 1HB HIS 43 HB2 HIS 43 -1.641 3.514 -7.739 334 2HB HIS 43 HB1 HIS 43 -0.578 4.860 -8.175 335 HD1 HIS 43 HD1 HIS 43 -2.823 7.153 -7.935 336 HD2 HIS 43 HD2 HIS 43 -2.003 4.207 -5.081 337 HE1 HIS 43 HE1 HIS 43 -3.653 7.997 -5.682 338 H LEU 44 H LEU 44 -3.407 4.025 -11.631 339 HA LEU 44 HA LEU 44 -1.633 1.752 -12.092 340 1HB LEU 44 HB1 LEU 44 -4.003 2.992 -13.479 341 2HB LEU 44 HB2 LEU 44 -2.968 1.850 -14.367 342 HG LEU 44 HG LEU 44 -3.930 1.119 -11.583 343 1HD1 LEU 44 HD1 LEU 44 -5.523 0.869 -14.178 344 2HD1 LEU 44 HD1 LEU 44 -5.976 1.817 -12.740 345 3HD1 LEU 44 HD1 LEU 44 -5.927 0.040 -12.655 346 1HD2 LEU 44 HD2 LEU 44 -3.376 -0.481 -14.128 347 2HD2 LEU 44 HD2 LEU 44 -3.776 -1.156 -12.530 348 3HD2 LEU 44 HD2 LEU 44 -2.245 -0.282 -12.768 349 H ASP 45 H ASP 45 -2.056 5.086 -13.325 350 HA ASP 45 HA ASP 45 -0.122 4.943 -15.421 351 1HB ASP 45 H ASP 45 -0.811 7.347 -13.679 352 2HB ASP 45 H ASP 45 -0.177 7.363 -15.338 353 H ILE 46 H ILE 46 0.034 5.774 -11.967 354 HA ILE 46 HA ILE 46 1.881 6.442 -10.689 355 HB ILE 46 HB ILE 46 1.181 4.262 -10.050 356 1HG1 ILE 46 HG1 ILE 46 4.181 4.048 -10.192 357 2HG1 ILE 46 HG1 ILE 46 3.355 5.220 -9.145 358 1HG2 ILE 46 HG2 ILE 46 1.221 2.517 -11.454 359 2HG2 ILE 46 HG2 ILE 46 2.198 3.429 -12.610 360 3HG2 ILE 46 HG2 ILE 46 2.992 2.474 -11.343 361 1HD1 ILE 46 HD1 ILE 46 3.817 3.180 -7.882 362 2HD1 ILE 46 HD1 ILE 46 3.020 2.190 -9.122 363 3HD1 ILE 46 HD1 ILE 46 2.065 3.321 -8.134 364 H GLY 47 H GLY 47 3.919 4.017 -12.204 365 1HA GLY 47 HA1 GLY 47 5.452 5.116 -14.074 366 2HA GLY 47 HA2 GLY 47 5.986 6.050 -12.652 367 H LEU 48 H LEU 48 7.467 3.980 -14.274 368 HA LEU 48 HA LEU 48 7.560 1.487 -13.009 369 1HB LEU 48 HB1 LEU 48 8.681 1.994 -15.143 370 2HB LEU 48 HB2 LEU 48 9.806 3.093 -14.313 371 HG LEU 48 HG LEU 48 10.665 1.171 -12.963 372 1HD1 LEU 48 HD1 LEU 48 10.031 -1.152 -13.825 373 2HD1 LEU 48 HD1 LEU 48 8.765 -0.316 -12.901 374 3HD1 LEU 48 HD1 LEU 48 8.676 -0.378 -14.678 375 1HD2 LEU 48 HD2 LEU 48 11.753 1.810 -15.099 376 2HD2 LEU 48 HD2 LEU 48 11.864 0.057 -14.812 377 3HD2 LEU 48 HD2 LEU 48 10.677 0.694 -15.976 378 H LYS 49 H LYS 49 9.448 4.469 -12.230 379 HA LYS 49 HA LYS 49 11.044 3.359 -10.201 380 1HB LYS 49 H LYS 49 11.246 5.623 -11.326 381 2HB LYS 49 H LYS 49 9.926 6.185 -10.274 382 1HG LYS 49 H LYS 49 11.246 5.659 -8.273 383 2HG LYS 49 H LYS 49 12.527 4.938 -9.276 384 1HD LYS 49 H LYS 49 13.265 7.159 -8.723 385 2HD LYS 49 H LYS 49 12.753 7.203 -10.428 386 1HE LYS 49 H LYS 49 10.635 8.216 -9.838 387 2HE LYS 49 H LYS 49 10.931 7.961 -8.105 388 1HZ LYS 49 H LYS 49 11.361 10.203 -8.731 389 2HZ LYS 49 H LYS 49 12.776 9.480 -8.278 390 3HZ LYS 49 H LYS 49 12.457 9.737 -9.876 391 H GLN 50 H GLN 50 7.847 5.044 -9.911 392 HA GLN 50 HA GLN 50 7.651 4.761 -7.078 393 1HB GLN 50 HB2 GLN 50 5.675 5.246 -9.315 394 2HB GLN 50 HB1 GLN 50 5.125 5.024 -7.641 395 1HG GLN 50 HG2 GLN 50 5.387 7.369 -7.891 396 2HG GLN 50 HG1 GLN 50 6.823 6.840 -6.995 397 1HE2 GLN 50 HE2 GLN 50 5.748 7.147 -10.442 398 2HE2 GLN 50 HE2 GLN 50 7.236 7.871 -11.013 399 H LYS 51 H LYS 51 6.038 2.824 -9.707 400 HA LYS 51 HA LYS 51 4.806 0.904 -8.136 401 1HB LYS 51 H LYS 51 4.890 1.279 -10.734 402 2HB LYS 51 H LYS 51 6.242 0.126 -10.684 403 1HG LYS 51 H LYS 51 4.726 -1.459 -9.408 404 2HG LYS 51 H LYS 51 3.393 -0.319 -9.701 405 1HD LYS 51 H LYS 51 4.270 -0.534 -12.235 406 2HD LYS 51 H LYS 51 4.849 -2.106 -11.633 407 1HE LYS 51 H LYS 51 2.455 -2.387 -10.656 408 2HE LYS 51 H LYS 51 2.008 -1.033 -11.719 409 1HZ LYS 51 H LYS 51 3.195 -3.579 -12.576 410 2HZ LYS 51 H LYS 51 1.618 -3.130 -12.768 411 3HZ LYS 51 H LYS 51 2.815 -2.320 -13.571 412 H GLN 52 H GLN 52 8.181 0.798 -9.416 413 HA GLN 52 HA GLN 52 8.850 -1.707 -8.252 414 1HB GLN 52 HB2 GLN 52 10.111 -0.513 -10.073 415 2HB GLN 52 HB1 GLN 52 10.691 0.649 -8.859 416 1HG GLN 52 HG1 GLN 52 12.388 -1.078 -9.202 417 2HG GLN 52 HG2 GLN 52 11.701 -1.249 -7.574 418 1HE2 GLN 52 HE2 GLN 52 11.241 -2.433 -10.954 419 2HE2 GLN 52 HE2 GLN 52 10.800 -4.066 -10.503 420 H TRP 53 H TRP 53 9.239 1.671 -7.062 421 HA TRP 53 HA TRP 53 10.601 1.017 -4.658 422 1HB TRP 53 HB2 TRP 53 10.600 3.262 -5.430 423 2HB TRP 53 HB1 TRP 53 8.836 3.319 -5.509 424 HD1 TRP 53 HD1 TRP 53 11.613 3.074 -2.860 425 HE1 TRP 53 HE1 TRP 53 10.857 4.245 -0.698 426 HE3 TRP 53 HE3 TRP 53 6.821 4.232 -4.225 427 HZ2 TRP 53 HZ2 TRP 53 8.485 5.515 0.287 428 HZ3 TRP 53 HZ3 TRP 53 5.335 5.398 -2.642 429 HH2 TRP 53 HH2 TRP 53 6.160 6.062 -0.390 430 H LEU 54 H LEU 54 7.092 1.147 -5.457 431 HA LEU 54 HA LEU 54 6.156 0.845 -2.790 432 1HB LEU 54 HB2 LEU 54 4.979 0.078 -5.479 433 2HB LEU 54 HB1 LEU 54 4.110 -0.162 -3.953 434 HG LEU 54 HG LEU 54 5.179 2.530 -4.916 435 1HD1 LEU 54 HD1 LEU 54 2.868 3.052 -5.490 436 2HD1 LEU 54 HD1 LEU 54 3.342 1.562 -6.341 437 3HD1 LEU 54 HD1 LEU 54 2.323 1.468 -4.887 438 1HD2 LEU 54 HD2 LEU 54 3.528 1.611 -2.539 439 2HD2 LEU 54 HD2 LEU 54 3.434 3.282 -3.143 440 3HD2 LEU 54 HD2 LEU 54 4.979 2.639 -2.554 441 H MET 55 H MET 55 6.973 -1.482 -5.352 442 HA MET 55 HA MET 55 6.193 -3.815 -3.952 443 1HB MET 55 HB1 MET 55 6.641 -3.453 -6.445 444 2HB MET 55 HB2 MET 55 8.374 -3.551 -6.071 445 1HG MET 55 HG2 MET 55 6.416 -5.718 -5.264 446 2HG MET 55 HG1 MET 55 7.187 -5.696 -6.851 447 1HE MET 55 HE1 MET 55 9.087 -8.624 -5.190 448 2HE MET 55 HE2 MET 55 8.191 -8.052 -6.616 449 3HE MET 55 HE3 MET 55 7.362 -8.209 -5.049 450 H THR 56 H THR 56 9.462 -2.274 -4.291 451 HA THR 56 HA THR 56 10.616 -4.377 -2.590 452 HB THR 56 HB THR 56 12.757 -3.157 -3.133 453 HG1 THR 56 HG1 THR 56 11.089 -1.687 -4.898 454 1HG2 THR 56 HG2 THR 56 11.938 -5.053 -4.495 455 2HG2 THR 56 HG2 THR 56 10.960 -3.934 -5.474 456 3HG2 THR 56 HG2 THR 56 12.735 -3.835 -5.519 457 H GLU 57 H GLU 57 10.068 -0.808 -2.363 458 HA GLU 57 HA GLU 57 11.359 -0.870 0.312 459 1HB GLU 57 H GLU 57 11.000 1.133 -1.841 460 2HB GLU 57 H GLU 57 10.882 1.755 -0.180 461 1HG GLU 57 H GLU 57 13.058 0.627 0.347 462 2HG GLU 57 H GLU 57 13.187 0.150 -1.361 463 H ALA 58 H ALA 58 8.672 1.060 -1.076 464 HA ALA 58 HA ALA 58 7.574 1.899 1.290 465 1HB ALA 58 HB1 ALA 58 5.610 1.220 -0.833 466 2HB ALA 58 HB2 ALA 58 5.929 2.759 -0.009 467 3HB ALA 58 HB3 ALA 58 6.991 2.229 -1.326 468 H LEU 59 H LEU 59 6.152 -0.890 -0.552 469 HA LEU 59 HA LEU 59 4.509 -1.559 1.760 470 1HB LEU 59 HB2 LEU 59 4.876 -3.019 -0.887 471 2HB LEU 59 HB1 LEU 59 3.567 -3.264 0.281 472 HG LEU 59 HG LEU 59 4.117 -0.739 -1.340 473 1HD1 LEU 59 HD1 LEU 59 2.983 -2.653 -2.489 474 2HD1 LEU 59 HD1 LEU 59 1.720 -2.615 -1.236 475 3HD1 LEU 59 HD1 LEU 59 1.937 -1.223 -2.325 476 1HD2 LEU 59 HD2 LEU 59 2.154 -1.283 0.925 477 2HD2 LEU 59 HD2 LEU 59 3.367 0.017 0.823 478 3HD2 LEU 59 HD2 LEU 59 1.946 0.042 -0.244 479 H VAL 60 H VAL 60 7.428 -1.746 2.141 480 HA VAL 60 HA VAL 60 7.480 -4.581 3.050 481 HB VAL 60 HB VAL 60 9.823 -3.089 1.785 482 1HG1 VAL 60 HG1 VAL 60 10.499 -4.680 3.540 483 2HG1 VAL 60 HG1 VAL 60 10.922 -5.320 1.936 484 3HG1 VAL 60 HG1 VAL 60 9.497 -5.949 2.797 485 1HG2 VAL 60 HG2 VAL 60 8.297 -3.681 0.020 486 2HG2 VAL 60 HG2 VAL 60 9.561 -4.932 0.031 487 3HG2 VAL 60 HG2 VAL 60 7.971 -5.273 0.748 488 H ASN 61 H ASN 61 8.955 -1.296 3.256 489 HA ASN 61 HA ASN 61 9.937 -1.813 5.956 490 1HB ASN 61 HB2 ASN 61 11.076 0.181 5.744 491 2HB ASN 61 HB1 ASN 61 10.912 -0.268 4.035 492 1HD2 ASN 61 HD2 ASN 61 9.110 0.724 2.798 493 2HD2 ASN 61 HD2 ASN 61 8.554 2.320 3.252 494 H ASN 62 H ASN 62 7.058 -0.370 4.445 495 HA ASN 62 HA ASN 62 6.200 1.273 6.556 496 1HB ASN 62 HB1 ASN 62 5.219 1.143 4.253 497 2HB ASN 62 HB2 ASN 62 4.433 -0.379 4.722 498 1HD2 ASN 62 HD2 ASN 62 4.374 3.100 4.925 499 2HD2 ASN 62 HD2 ASN 62 2.923 3.245 5.891 500 HA PRO 63 HA PRO 63 5.674 -1.878 9.660 501 1HB PRO 63 HB2 PRO 63 4.291 -0.141 11.457 502 2HB PRO 63 HB1 PRO 63 6.034 -0.531 11.446 503 1HG PRO 63 HG1 PRO 63 4.685 1.936 10.596 504 2HG PRO 63 HG2 PRO 63 6.428 1.635 10.845 505 1HD PRO 63 HD2 PRO 63 5.051 1.884 8.353 506 2HD PRO 63 HD1 PRO 63 6.755 1.400 8.608 507 H LYS 64 H LYS 64 3.066 -0.078 8.133 508 HA LYS 64 HA LYS 64 1.009 -1.780 9.434 509 1HB LYS 64 H LYS 64 0.574 0.473 7.446 510 2HB LYS 64 H LYS 64 -0.599 -0.230 8.570 511 1HG LYS 64 H LYS 64 1.837 1.467 9.268 512 2HG LYS 64 H LYS 64 0.132 1.919 9.450 513 1HD LYS 64 H LYS 64 1.577 -0.296 10.974 514 2HD LYS 64 H LYS 64 1.095 1.277 11.625 515 1HE LYS 64 H LYS 64 -0.788 -0.894 10.604 516 2HE LYS 64 H LYS 64 -0.484 -0.468 12.297 517 1HZ LYS 64 H LYS 64 -1.730 1.236 10.268 518 2HZ LYS 64 H LYS 64 -1.321 1.743 11.783 519 3HZ LYS 64 H LYS 64 -2.455 0.557 11.589 520 H ILE 65 H ILE 65 3.073 -2.643 7.240 521 HA ILE 65 HA ILE 65 1.008 -3.804 5.425 522 HB ILE 65 HB ILE 65 3.733 -2.671 4.665 523 1HG1 ILE 65 HG1 ILE 65 1.787 -1.036 4.976 524 2HG1 ILE 65 HG1 ILE 65 2.542 -1.036 3.374 525 1HG2 ILE 65 HG2 ILE 65 3.461 -4.628 3.344 526 2HG2 ILE 65 HG2 ILE 65 2.891 -3.300 2.311 527 3HG2 ILE 65 HG2 ILE 65 1.716 -4.349 3.132 528 1HD1 ILE 65 HD1 ILE 65 0.730 -2.431 2.476 529 2HD1 ILE 65 HD1 ILE 65 -0.009 -2.548 4.086 530 3HD1 ILE 65 HD1 ILE 65 0.052 -0.984 3.251 531 H GLU 66 H GLU 66 1.361 -5.897 4.742 532 HA GLU 66 HA GLU 66 3.761 -7.325 5.751 533 1HB GLU 66 H GLU 66 1.821 -7.574 7.366 534 2HB GLU 66 H GLU 66 0.900 -8.343 6.051 535 1HG GLU 66 H GLU 66 2.615 -10.099 5.850 536 2HG GLU 66 H GLU 66 3.600 -9.308 7.100 537 H VAL 67 H VAL 67 4.531 -8.809 4.270 538 HA VAL 67 HA VAL 67 3.086 -8.915 1.674 539 HB VAL 67 HB VAL 67 5.930 -9.823 2.242 540 1HG1 VAL 67 HG1 VAL 67 6.189 -9.259 -0.171 541 2HG1 VAL 67 HG1 VAL 67 4.472 -8.794 -0.237 542 3HG1 VAL 67 HG1 VAL 67 4.926 -10.484 0.085 543 1HG2 VAL 67 HG2 VAL 67 4.842 -7.030 1.747 544 2HG2 VAL 67 HG2 VAL 67 5.942 -7.569 3.034 545 3HG2 VAL 67 HG2 VAL 67 6.519 -7.472 1.355 546 H ILE 68 H ILE 68 2.174 -10.768 0.937 547 HA ILE 68 HA ILE 68 3.061 -13.361 2.079 548 HB ILE 68 HB ILE 68 0.133 -12.529 1.954 549 1HG1 ILE 68 HG1 ILE 68 2.019 -12.729 4.349 550 2HG1 ILE 68 HG1 ILE 68 1.236 -11.252 3.739 551 1HG2 ILE 68 HG2 ILE 68 0.721 -14.971 1.659 552 2HG2 ILE 68 HG2 ILE 68 1.478 -14.929 3.269 553 3HG2 ILE 68 HG2 ILE 68 -0.270 -14.639 3.095 554 1HD1 ILE 68 HD1 ILE 68 -1.003 -12.448 4.141 555 2HD1 ILE 68 HD1 ILE 68 -0.073 -13.652 5.066 556 3HD1 ILE 68 HD1 ILE 68 -0.094 -11.952 5.587 557 H ASP 69 H ASP 69 3.425 -14.722 0.437 558 HA ASP 69 HA ASP 69 3.425 -15.653 -1.651 559 1HB ASP 69 H ASP 69 1.142 -16.269 -0.780 560 2HB ASP 69 H ASP 69 0.480 -14.867 -1.646 561 H GLY 70 H GLY 70 4.162 -12.822 -1.508 562 1HA GLY 70 HA2 GLY 70 4.926 -11.406 -3.204 563 2HA GLY 70 HA1 GLY 70 3.846 -12.204 -4.365 564 H LYS 71 H LYS 71 1.403 -11.941 -2.738 565 HA LYS 71 HA LYS 71 0.675 -9.261 -3.545 566 1HB LYS 71 H LYS 71 -0.807 -11.403 -1.965 567 2HB LYS 71 H LYS 71 -1.509 -9.848 -2.420 568 1HG LYS 71 H LYS 71 -2.213 -11.447 -4.061 569 2HG LYS 71 H LYS 71 -0.999 -10.407 -4.821 570 1HD LYS 71 H LYS 71 0.622 -12.067 -4.861 571 2HD LYS 71 H LYS 71 -0.095 -12.940 -3.482 572 1HE LYS 71 H LYS 71 -2.012 -13.604 -4.917 573 2HE LYS 71 H LYS 71 -1.255 -12.774 -6.295 574 1HZ LYS 71 H LYS 71 0.630 -14.254 -6.028 575 2HZ LYS 71 H LYS 71 -0.759 -15.088 -6.333 576 3HZ LYS 71 H LYS 71 -0.137 -15.052 -4.803 577 H TYR 72 H TYR 72 -0.372 -7.697 -1.979 578 HA TYR 72 HA TYR 72 1.199 -7.636 0.564 579 1HB TYR 72 HB1 TYR 72 0.370 -5.383 -1.297 580 2HB TYR 72 HB2 TYR 72 1.149 -5.161 0.280 581 HD1 TYR 72 HD1 TYR 72 3.493 -5.682 0.616 582 HD2 TYR 72 HD2 TYR 72 1.620 -6.341 -3.202 583 HE1 TYR 72 HE1 TYR 72 5.725 -6.008 -0.423 584 HE2 TYR 72 HE2 TYR 72 3.853 -6.670 -4.241 585 HH TYR 72 HH TYR 72 6.110 -6.991 -3.811 586 H ALA 73 H ALA 73 0.131 -7.326 2.412 587 HA ALA 73 HA ALA 73 -2.770 -6.595 2.287 588 1HB ALA 73 HB1 ALA 73 -2.801 -8.076 4.453 589 2HB ALA 73 HB2 ALA 73 -1.298 -8.774 3.801 590 3HB ALA 73 HB3 ALA 73 -2.812 -8.884 2.876 591 H PHE 74 H PHE 74 -3.532 -5.360 4.076 592 HA PHE 74 HA PHE 74 -1.513 -3.661 5.297 593 1HB PHE 74 HB2 PHE 74 -3.485 -2.519 4.835 594 2HB PHE 74 HB1 PHE 74 -4.513 -3.874 5.326 595 HD1 PHE 74 HD1 PHE 74 -5.081 -4.242 7.648 596 HD2 PHE 74 HD2 PHE 74 -2.544 -0.971 6.511 597 HE1 PHE 74 HE1 PHE 74 -5.440 -3.213 9.868 598 HE2 PHE 74 HE2 PHE 74 -2.894 0.064 8.744 599 HZ PHE 74 HZ PHE 74 -4.356 -1.058 10.414 600 H LYS 75 H LYS 75 -0.415 -4.158 7.102 601 HA LYS 75 HA LYS 75 -0.936 -6.584 8.534 602 1HB LYS 75 H LYS 75 1.289 -5.374 8.167 603 2HB LYS 75 H LYS 75 0.783 -4.254 9.448 604 1HG LYS 75 H LYS 75 0.564 -6.125 11.032 605 2HG LYS 75 H LYS 75 0.960 -7.285 9.741 606 1HD LYS 75 H LYS 75 3.168 -6.019 9.448 607 2HD LYS 75 H LYS 75 2.764 -5.144 10.943 608 1HE LYS 75 H LYS 75 4.121 -6.960 11.659 609 2HE LYS 75 H LYS 75 2.459 -7.468 12.028 610 1HZ LYS 75 H LYS 75 2.459 -8.734 9.996 611 2HZ LYS 75 H LYS 75 3.716 -9.198 10.962 612 3HZ LYS 75 H LYS 75 3.999 -8.246 9.646 613 HA PRO 76 HA PRO 76 -4.157 -4.748 11.057 614 1HB PRO 76 HB2 PRO 76 -4.266 -6.991 12.823 615 2HB PRO 76 HB1 PRO 76 -5.342 -6.636 11.445 616 1HG PRO 76 HG2 PRO 76 -3.216 -8.647 11.649 617 2HG PRO 76 HG1 PRO 76 -4.443 -8.439 10.367 618 1HD PRO 76 HD1 PRO 76 -1.651 -7.791 10.237 619 2HD PRO 76 HD2 PRO 76 -2.904 -7.454 9.007 620 H LYS 77 H LYS 77 -3.244 -3.102 12.206 621 HA LYS 77 HA LYS 77 -2.206 -3.628 14.852 622 1HB LYS 77 H LYS 77 -0.210 -4.194 13.493 623 2HB LYS 77 H LYS 77 -0.306 -2.614 12.691 624 1HG LYS 77 H LYS 77 0.210 -1.453 14.727 625 2HG LYS 77 H LYS 77 -0.048 -2.911 15.709 626 1HD LYS 77 H LYS 77 2.382 -2.398 15.358 627 2HD LYS 77 H LYS 77 1.914 -3.985 14.703 628 1HE LYS 77 H LYS 77 1.785 -3.070 12.440 629 2HE LYS 77 H LYS 77 2.073 -1.425 13.049 630 1HZ LYS 77 H LYS 77 4.240 -2.065 13.690 631 2HZ LYS 77 H LYS 77 4.026 -2.506 12.112 632 3HZ LYS 77 H LYS 77 3.973 -3.647 13.304 633 H TYR 78 H TYR 78 -2.379 -1.776 16.112 634 HA TYR 78 HA TYR 78 -3.272 0.254 16.704 635 1HB TYR 78 HB1 TYR 78 -2.030 1.289 14.134 636 2HB TYR 78 HB2 TYR 78 -2.343 2.187 15.626 637 HD1 TYR 78 HD1 TYR 78 0.302 1.622 13.892 638 HD2 TYR 78 HD2 TYR 78 -1.256 0.142 17.628 639 HE1 TYR 78 HE1 TYR 78 2.610 1.122 14.659 640 HE2 TYR 78 HE2 TYR 78 1.052 -0.357 18.390 641 HH TYR 78 HH TYR 78 3.288 -0.231 17.900 642 H ASN 79 H ASN 79 -5.104 -1.420 15.454 643 HA ASN 79 HA ASN 79 -6.500 0.076 13.353 644 1HB ASN 79 HB2 ASN 79 -7.442 -2.381 14.878 645 2HB ASN 79 HB1 ASN 79 -7.972 -1.816 13.278 646 1HD2 ASN 79 HD2 ASN 79 -6.388 -4.276 14.584 647 2HD2 ASN 79 HD2 ASN 79 -5.129 -4.556 13.403 648 H VAL 80 H VAL 80 -6.411 1.912 15.163 649 HA VAL 80 HA VAL 80 -8.167 1.853 17.370 650 HB VAL 80 HB VAL 80 -7.299 4.182 15.594 651 1HG1 VAL 80 HG1 VAL 80 -8.566 4.087 18.369 652 2HG1 VAL 80 HG1 VAL 80 -7.766 5.527 17.692 653 3HG1 VAL 80 HG1 VAL 80 -9.221 4.870 16.910 654 1HG2 VAL 80 HG2 VAL 80 -5.619 4.528 17.418 655 2HG2 VAL 80 HG2 VAL 80 -6.179 3.026 18.190 656 3HG2 VAL 80 HG2 VAL 80 -5.402 2.970 16.590 657 H ARG 81 H ARG 81 -10.311 2.478 17.672 658 HA ARG 81 HA ARG 81 -11.963 3.357 15.447 659 1HB ARG 81 H ARG 81 -13.423 1.383 15.424 660 2HB ARG 81 H ARG 81 -11.763 0.913 14.994 661 1HG ARG 81 H ARG 81 -11.429 0.326 17.477 662 2HG ARG 81 H ARG 81 -13.188 0.525 17.662 663 1HD ARG 81 H ARG 81 -12.771 -1.814 17.267 664 2HD ARG 81 H ARG 81 -13.481 -1.145 15.779 665 HE ARG 81 H ARG 81 -10.601 -1.009 15.689 666 1HH1 ARG 81 H ARG 81 -13.322 -3.273 15.449 667 2HH1 ARG 81 H ARG 81 -12.483 -4.379 14.389 668 1HH2 ARG 81 H ARG 81 -9.500 -2.486 14.317 669 2HH2 ARG 81 H ARG 81 -10.294 -3.933 13.749 Start of MODEL 13 1 1H ALA 1 H1 ALA 1 9.158 11.934 3.331 2 2H ALA 1 H2 ALA 1 10.584 11.561 2.592 3 3H ALA 1 H3 ALA 1 10.509 12.828 3.645 4 HA ALA 1 HA ALA 1 10.078 10.014 4.344 5 1HB ALA 1 HB1 ALA 1 12.253 10.247 5.568 6 2HB ALA 1 HB2 ALA 1 12.478 11.833 4.792 7 3HB ALA 1 HB3 ALA 1 12.417 10.358 3.799 8 H LEU 2 H LEU 2 11.288 12.994 5.984 9 HA LEU 2 HA LEU 2 9.899 12.402 8.414 10 1HB LEU 2 HB1 LEU 2 11.012 15.045 7.370 11 2HB LEU 2 HB2 LEU 2 10.567 14.700 9.056 12 HG LEU 2 HG LEU 2 12.713 13.202 7.470 13 1HD1 LEU 2 HD1 LEU 2 13.334 15.554 7.962 14 2HD1 LEU 2 HD1 LEU 2 12.955 15.289 9.681 15 3HD1 LEU 2 HD1 LEU 2 14.303 14.411 8.921 16 1HD2 LEU 2 HD2 LEU 2 11.750 13.065 10.358 17 2HD2 LEU 2 HD2 LEU 2 13.318 12.411 9.826 18 3HD2 LEU 2 HD2 LEU 2 11.809 11.746 9.165 19 H SER 3 H SER 3 8.115 13.549 9.366 20 HA SER 3 HA SER 3 6.071 14.573 9.418 21 1HB SER 3 HB2 SER 3 7.184 16.367 7.992 22 2HB SER 3 HB1 SER 3 6.507 15.545 6.568 23 HG SER 3 HG SER 3 5.052 16.552 8.786 24 H GLY 4 H GLY 4 6.611 13.288 6.071 25 1HA GLY 4 HA2 GLY 4 5.506 11.605 4.948 26 2HA GLY 4 HA1 GLY 4 4.713 11.145 6.471 27 H SER 5 H SER 5 4.615 14.437 5.143 28 HA SER 5 HA SER 5 1.729 14.479 5.217 29 1HB SER 5 HB1 SER 5 3.825 16.417 4.148 30 2HB SER 5 HB2 SER 5 2.081 16.766 4.195 31 HG SER 5 HG SER 5 3.801 16.204 6.391 32 H SER 6 H SER 6 0.438 15.223 3.269 33 HA SER 6 HA SER 6 0.655 13.297 1.188 34 1HB SER 6 HB1 SER 6 -1.445 14.460 1.950 35 2HB SER 6 HB2 SER 6 -0.860 15.939 1.150 36 HG SER 6 HG SER 6 -2.233 14.670 -0.193 37 H GLY 7 H GLY 7 1.237 13.524 -1.006 38 1HA GLY 7 HA2 GLY 7 2.035 15.649 -2.488 39 2HA GLY 7 HA1 GLY 7 3.460 15.358 -1.459 40 H TYR 8 H TYR 8 4.354 14.946 -3.757 41 HA TYR 8 HA TYR 8 3.677 12.561 -5.165 42 1HB TYR 8 HB2 TYR 8 4.988 14.244 -6.247 43 2HB TYR 8 HB1 TYR 8 6.182 14.260 -4.939 44 HD1 TYR 8 HD1 TYR 8 4.834 12.180 -7.743 45 HD2 TYR 8 HD2 TYR 8 8.073 12.830 -4.978 46 HE1 TYR 8 HE1 TYR 8 6.223 10.533 -8.980 47 HE2 TYR 8 HE2 TYR 8 9.460 11.185 -6.215 48 HH TYR 8 HH TYR 8 8.266 9.510 -9.145 49 H LYS 9 H LYS 9 4.443 10.434 -4.977 50 HA LYS 9 HA LYS 9 5.363 8.561 -4.010 51 1HB LYS 9 H LYS 9 7.311 10.683 -3.312 52 2HB LYS 9 H LYS 9 7.266 9.366 -2.130 53 1HG LYS 9 H LYS 9 7.456 7.781 -4.141 54 2HG LYS 9 H LYS 9 7.862 9.226 -5.092 55 1HD LYS 9 H LYS 9 9.604 9.723 -3.231 56 2HD LYS 9 H LYS 9 9.358 8.033 -2.731 57 1HE LYS 9 H LYS 9 10.171 8.937 -5.530 58 2HE LYS 9 H LYS 9 11.288 8.320 -4.294 59 1HZ LYS 9 H LYS 9 10.650 6.604 -5.796 60 2HZ LYS 9 H LYS 9 9.044 6.845 -5.492 61 3HZ LYS 9 H LYS 9 10.035 6.271 -4.302 62 H PHE 10 H PHE 10 5.608 10.967 -1.363 63 HA PHE 10 HA PHE 10 4.838 9.221 0.692 64 1HB PHE 10 HB2 PHE 10 4.425 12.227 0.639 65 2HB PHE 10 HB1 PHE 10 4.793 11.204 2.037 66 HD1 PHE 10 HD1 PHE 10 6.207 13.576 -0.037 67 HD2 PHE 10 HD2 PHE 10 7.035 9.613 1.442 68 HE1 PHE 10 HE1 PHE 10 8.624 13.902 -0.507 69 HE2 PHE 10 HE2 PHE 10 9.449 9.940 0.967 70 HZ PHE 10 HZ PHE 10 10.245 12.078 -0.021 71 H GLY 11 H GLY 11 2.808 11.599 -1.137 72 1HA GLY 11 HA2 GLY 11 0.417 11.098 0.342 73 2HA GLY 11 HA1 GLY 11 0.517 11.799 -1.287 74 H VAL 12 H VAL 12 1.704 9.716 -2.721 75 HA VAL 12 HA VAL 12 -0.529 8.081 -3.325 76 HB VAL 12 HB VAL 12 2.431 7.607 -3.941 77 1HG1 VAL 12 HG1 VAL 12 0.941 5.643 -4.356 78 2HG1 VAL 12 HG1 VAL 12 1.549 6.344 -5.870 79 3HG1 VAL 12 HG1 VAL 12 -0.114 6.674 -5.348 80 1HG2 VAL 12 HG2 VAL 12 0.252 9.181 -5.396 81 2HG2 VAL 12 HG2 VAL 12 1.826 8.751 -6.109 82 3HG2 VAL 12 HG2 VAL 12 1.756 9.832 -4.700 83 H LEU 13 H LEU 13 2.463 7.416 -1.441 84 HA LEU 13 HA LEU 13 1.858 4.707 -0.821 85 1HB LEU 13 HB2 LEU 13 4.101 5.608 -0.622 86 2HB LEU 13 HB1 LEU 13 3.558 6.818 0.563 87 HG LEU 13 HG LEU 13 2.994 5.013 2.169 88 1HD1 LEU 13 HD1 LEU 13 4.010 3.216 -0.076 89 2HD1 LEU 13 HD1 LEU 13 3.827 2.676 1.608 90 3HD1 LEU 13 HD1 LEU 13 2.402 3.189 0.682 91 1HD2 LEU 13 HD2 LEU 13 5.334 4.245 2.587 92 2HD2 LEU 13 HD2 LEU 13 5.794 4.836 0.971 93 3HD2 LEU 13 HD2 LEU 13 5.248 5.983 2.216 94 H ALA 14 H ALA 14 1.138 7.799 0.880 95 HA ALA 14 HA ALA 14 0.002 6.625 3.215 96 1HB ALA 14 HB1 ALA 14 -1.002 8.861 3.543 97 2HB ALA 14 HB2 ALA 14 0.707 8.983 3.063 98 3HB ALA 14 HB3 ALA 14 -0.578 9.299 1.873 99 H LYS 15 H LYS 15 -1.389 7.484 0.013 100 HA LYS 15 HA LYS 15 -4.112 7.054 0.753 101 1HB LYS 15 H LYS 15 -3.458 8.349 -1.228 102 2HB LYS 15 H LYS 15 -2.669 6.922 -1.931 103 1HG LYS 15 H LYS 15 -4.910 7.310 -2.917 104 2HG LYS 15 H LYS 15 -4.837 5.755 -2.063 105 1HD LYS 15 H LYS 15 -6.126 6.560 -0.242 106 2HD LYS 15 H LYS 15 -5.796 8.262 -0.645 107 1HE LYS 15 H LYS 15 -8.125 7.546 -1.237 108 2HE LYS 15 H LYS 15 -7.192 8.121 -2.636 109 1HZ LYS 15 H LYS 15 -7.566 5.298 -1.905 110 2HZ LYS 15 H LYS 15 -8.405 6.095 -3.082 111 3HZ LYS 15 H LYS 15 -6.780 5.868 -3.239 112 H ILE 16 H ILE 16 -1.515 4.990 -0.608 113 HA ILE 16 HA ILE 16 -3.117 2.671 -0.999 114 HB ILE 16 HB ILE 16 -0.147 3.121 -0.564 115 1HG1 ILE 16 HG1 ILE 16 -1.597 2.081 -3.022 116 2HG1 ILE 16 HG1 ILE 16 -1.480 3.824 -2.698 117 1HG2 ILE 16 HG2 ILE 16 -1.688 0.534 -1.019 118 2HG2 ILE 16 HG2 ILE 16 -0.528 0.898 0.280 119 3HG2 ILE 16 HG2 ILE 16 0.042 0.700 -1.390 120 1HD1 ILE 16 HD1 ILE 16 0.358 3.106 -4.165 121 2HD1 ILE 16 HD1 ILE 16 0.863 1.888 -2.974 122 3HD1 ILE 16 HD1 ILE 16 1.000 3.619 -2.590 123 H VAL 17 H VAL 17 -1.086 3.728 1.798 124 HA VAL 17 HA VAL 17 -1.577 1.450 3.417 125 HB VAL 17 HB VAL 17 -0.746 4.314 3.892 126 1HG1 VAL 17 HG1 VAL 17 -1.500 2.292 6.046 127 2HG1 VAL 17 HG1 VAL 17 -2.153 3.934 5.828 128 3HG1 VAL 17 HG1 VAL 17 -0.466 3.711 6.336 129 1HG2 VAL 17 HG2 VAL 17 1.289 3.225 4.680 130 2HG2 VAL 17 HG2 VAL 17 0.506 1.626 4.625 131 3HG2 VAL 17 HG2 VAL 17 0.836 2.512 3.114 132 H ASN 18 H ASN 18 -3.343 4.598 3.204 133 HA ASN 18 HA ASN 18 -5.259 4.043 5.218 134 1HB ASN 18 HB1 ASN 18 -4.912 6.278 4.305 135 2HB ASN 18 HB2 ASN 18 -5.429 5.738 2.694 136 1HD2 ASN 18 HD2 ASN 18 -6.492 6.421 6.020 137 2HD2 ASN 18 HD2 ASN 18 -8.200 6.539 5.653 138 H TYR 19 H TYR 19 -5.351 3.476 1.669 139 HA TYR 19 HA TYR 19 -7.982 2.405 1.572 140 1HB TYR 19 HB1 TYR 19 -7.244 2.948 -0.517 141 2HB TYR 19 HB2 TYR 19 -5.565 2.532 -0.150 142 HD1 TYR 19 HD1 TYR 19 -8.894 0.978 -0.880 143 HD2 TYR 19 HD2 TYR 19 -4.614 0.548 -0.918 144 HE1 TYR 19 HE1 TYR 19 -9.112 -1.149 -2.132 145 HE2 TYR 19 HE2 TYR 19 -4.838 -1.575 -2.169 146 HH TYR 19 HH TYR 19 -7.971 -2.812 -3.302 147 H MET 20 H MET 20 -4.769 0.791 1.853 148 HA MET 20 HA MET 20 -5.685 -1.869 1.812 149 1HB MET 20 HB2 MET 20 -3.264 -0.481 2.981 150 2HB MET 20 HB1 MET 20 -3.512 -2.219 3.220 151 1HG MET 20 HG1 MET 20 -3.442 -0.810 0.531 152 2HG MET 20 HG2 MET 20 -2.108 -1.732 1.227 153 1HE MET 20 HE1 MET 20 -3.264 -4.282 2.439 154 2HE MET 20 HE2 MET 20 -1.918 -4.305 1.277 155 3HE MET 20 HE3 MET 20 -3.301 -5.404 1.063 156 H LYS 21 H LYS 21 -5.598 0.517 4.455 157 HA LYS 21 HA LYS 21 -6.264 -1.413 6.511 158 1HB LYS 21 H LYS 21 -5.181 0.733 7.046 159 2HB LYS 21 H LYS 21 -6.571 1.610 6.387 160 1HG LYS 21 H LYS 21 -8.044 0.539 8.074 161 2HG LYS 21 H LYS 21 -6.657 -0.343 8.728 162 1HD LYS 21 H LYS 21 -7.152 1.657 10.078 163 2HD LYS 21 H LYS 21 -5.560 1.784 9.305 164 1HE LYS 21 H LYS 21 -7.003 3.876 9.211 165 2HE LYS 21 H LYS 21 -6.369 3.308 7.657 166 1HZ LYS 21 H LYS 21 -8.448 2.436 7.107 167 2HZ LYS 21 H LYS 21 -9.048 2.599 8.636 168 3HZ LYS 21 H LYS 21 -8.759 3.937 7.710 169 H THR 22 H THR 22 -8.126 1.277 5.032 170 HA THR 22 HA THR 22 -10.622 0.772 6.062 171 HB THR 22 HB THR 22 -10.051 1.597 3.183 172 HG1 THR 22 HG1 THR 22 -8.881 2.981 4.334 173 1HG2 THR 22 HG2 THR 22 -12.313 2.224 5.136 174 2HG2 THR 22 HG2 THR 22 -12.115 2.963 3.530 175 3HG2 THR 22 HG2 THR 22 -12.435 1.220 3.671 176 H ARG 23 H ARG 23 -9.315 -0.757 3.014 177 HA ARG 23 HA ARG 23 -11.688 -2.268 2.541 178 1HB ARG 23 H ARG 23 -10.478 -3.372 0.852 179 2HB ARG 23 H ARG 23 -9.761 -1.749 0.925 180 1HG ARG 23 H ARG 23 -7.990 -2.721 2.477 181 2HG ARG 23 H ARG 23 -8.632 -4.329 2.091 182 1HD ARG 23 H ARG 23 -7.300 -2.321 0.259 183 2HD ARG 23 H ARG 23 -6.839 -4.006 0.563 184 HE ARG 23 H ARG 23 -8.667 -3.059 -1.435 185 1HH1 ARG 23 H ARG 23 -7.918 -5.794 0.672 186 2HH1 ARG 23 H ARG 23 -9.114 -6.847 -0.057 187 1HH2 ARG 23 H ARG 23 -10.003 -4.530 -2.579 188 2HH2 ARG 23 H ARG 23 -10.304 -6.130 -1.912 189 H HIS 24 H HIS 24 -8.681 -3.009 4.348 190 HA HIS 24 HA HIS 24 -9.329 -5.721 4.972 191 1HB HIS 24 HB2 HIS 24 -7.074 -5.005 5.128 192 2HB HIS 24 HB1 HIS 24 -7.496 -3.606 6.120 193 HD1 HIS 24 HD1 HIS 24 -6.467 -7.174 6.346 194 HD2 HIS 24 HD2 HIS 24 -8.059 -4.247 8.859 195 HE1 HIS 24 HE1 HIS 24 -6.152 -7.964 8.743 196 H GLN 25 H GLN 25 -10.357 -2.618 6.323 197 HA GLN 25 HA GLN 25 -11.340 -3.724 8.815 198 1HB GLN 25 HB2 GLN 25 -11.640 -1.091 7.349 199 2HB GLN 25 HB1 GLN 25 -12.638 -1.452 8.767 200 1HG GLN 25 HG2 GLN 25 -10.499 -1.988 10.023 201 2HG GLN 25 HG1 GLN 25 -9.599 -1.366 8.625 202 1HE2 GLN 25 HE2 GLN 25 -12.070 -0.500 11.079 203 2HE2 GLN 25 HE2 GLN 25 -11.717 1.214 11.097 204 H ARG 26 H ARG 26 -12.723 -3.180 5.533 205 HA ARG 26 HA ARG 26 -15.394 -3.947 6.566 206 1HB ARG 26 H ARG 26 -16.198 -3.322 4.301 207 2HB ARG 26 H ARG 26 -15.371 -1.995 5.143 208 1HG ARG 26 H ARG 26 -13.555 -2.029 3.716 209 2HG ARG 26 H ARG 26 -13.717 -3.760 3.356 210 1HD ARG 26 H ARG 26 -15.910 -1.894 2.480 211 2HD ARG 26 H ARG 26 -14.395 -1.905 1.560 212 HE ARG 26 H ARG 26 -16.408 -4.038 1.709 213 1HH1 ARG 26 H ARG 26 -13.261 -2.962 0.485 214 2HH1 ARG 26 H ARG 26 -12.903 -4.482 -0.312 215 1HH2 ARG 26 H ARG 26 -15.917 -6.035 0.615 216 2HH2 ARG 26 H ARG 26 -14.397 -6.206 -0.246 217 H GLY 27 H GLY 27 -13.380 -5.997 6.608 218 1HA GLY 27 HA1 GLY 27 -13.716 -8.298 6.372 219 2HA GLY 27 HA2 GLY 27 -14.941 -7.999 5.129 220 H ASP 28 H ASP 28 -12.692 -6.127 3.825 221 HA ASP 28 HA ASP 28 -11.700 -8.278 2.085 222 1HB ASP 28 H ASP 28 -12.422 -5.615 1.755 223 2HB ASP 28 H ASP 28 -10.659 -5.561 1.647 224 H THR 29 H THR 29 -10.784 -8.584 4.705 225 HA THR 29 HA THR 29 -8.079 -7.515 4.955 226 HB THR 29 HB THR 29 -9.227 -7.786 7.003 227 HG1 THR 29 HG1 THR 29 -8.087 -9.530 8.013 228 1HG2 THR 29 HG2 THR 29 -11.105 -9.106 6.483 229 2HG2 THR 29 HG2 THR 29 -10.183 -10.114 7.619 230 3HG2 THR 29 HG2 THR 29 -10.114 -10.453 5.874 231 H HIS 30 H HIS 30 -7.685 -8.454 2.629 232 HA HIS 30 HA HIS 30 -6.314 -11.042 3.034 233 1HB HIS 30 HB1 HIS 30 -7.378 -12.180 1.350 234 2HB HIS 30 HB2 HIS 30 -8.723 -11.180 1.923 235 HD1 HIS 30 HD1 HIS 30 -8.719 -8.651 0.526 236 HD2 HIS 30 HD2 HIS 30 -7.197 -12.059 -1.368 237 HE1 HIS 30 HE1 HIS 30 -8.716 -8.213 -1.977 238 HA PRO 31 HA PRO 31 -3.027 -9.049 0.922 239 1HB PRO 31 HB1 PRO 31 -2.268 -11.391 -0.625 240 2HB PRO 31 HB2 PRO 31 -1.465 -10.700 0.809 241 1HG PRO 31 HG2 PRO 31 -2.994 -13.115 0.663 242 2HG PRO 31 HG1 PRO 31 -2.353 -12.331 2.132 243 1HD PRO 31 HD2 PRO 31 -5.109 -12.451 1.178 244 2HD PRO 31 HD1 PRO 31 -4.476 -11.853 2.739 245 H LEU 32 H LEU 32 -2.422 -8.105 -1.068 246 HA LEU 32 HA LEU 32 -3.937 -8.902 -3.499 247 1HB LEU 32 HB2 LEU 32 -3.941 -6.214 -2.108 248 2HB LEU 32 HB1 LEU 32 -4.072 -6.297 -3.876 249 HG LEU 32 HG LEU 32 -5.952 -7.618 -1.864 250 1HD1 LEU 32 HD1 LEU 32 -6.260 -5.193 -2.066 251 2HD1 LEU 32 HD1 LEU 32 -7.589 -6.029 -2.900 252 3HD1 LEU 32 HD1 LEU 32 -6.263 -5.315 -3.844 253 1HD2 LEU 32 HD2 LEU 32 -5.973 -9.097 -3.721 254 2HD2 LEU 32 HD2 LEU 32 -5.716 -7.778 -4.882 255 3HD2 LEU 32 HD2 LEU 32 -7.291 -7.967 -4.089 256 H THR 33 H THR 33 -2.744 -8.616 -5.406 257 HA THR 33 HA THR 33 0.099 -8.316 -5.251 258 HB THR 33 HB THR 33 0.012 -8.169 -7.717 259 HG1 THR 33 HG1 THR 33 -2.802 -8.098 -7.381 260 1HG2 THR 33 HG2 THR 33 -1.297 -10.265 -8.165 261 2HG2 THR 33 HG2 THR 33 -1.928 -10.183 -6.506 262 3HG2 THR 33 HG2 THR 33 -0.184 -10.397 -6.786 263 H LEU 34 H LEU 34 1.266 -6.582 -6.639 264 HA LEU 34 HA LEU 34 0.872 -4.040 -5.453 265 1HB LEU 34 HB2 LEU 34 2.926 -5.227 -6.713 266 2HB LEU 34 HB1 LEU 34 2.281 -4.338 -8.105 267 HG LEU 34 HG LEU 34 3.956 -2.944 -7.099 268 1HD1 LEU 34 HD1 LEU 34 1.737 -1.858 -7.721 269 2HD1 LEU 34 HD1 LEU 34 2.743 -0.950 -6.572 270 3HD1 LEU 34 HD1 LEU 34 1.340 -1.868 -5.986 271 1HD2 LEU 34 HD2 LEU 34 4.013 -4.119 -4.900 272 2HD2 LEU 34 HD2 LEU 34 2.521 -3.275 -4.433 273 3HD2 LEU 34 HD2 LEU 34 4.006 -2.350 -4.738 274 H ASP 35 H ASP 35 0.228 -5.145 -8.843 275 HA ASP 35 HA ASP 35 -0.885 -2.719 -9.748 276 1HB ASP 35 H ASP 35 -1.370 -5.587 -10.626 277 2HB ASP 35 H ASP 35 -1.894 -4.152 -11.535 278 H GLU 36 H GLU 36 -2.509 -5.552 -8.180 279 HA GLU 36 HA GLU 36 -5.178 -4.678 -8.527 280 1HB GLU 36 H GLU 36 -3.772 -6.347 -6.432 281 2HB GLU 36 H GLU 36 -5.502 -5.964 -6.288 282 1HG GLU 36 H GLU 36 -5.970 -6.962 -8.459 283 2HG GLU 36 H GLU 36 -4.240 -7.221 -8.763 284 H ILE 37 H ILE 37 -2.740 -3.822 -6.037 285 HA ILE 37 HA ILE 37 -4.504 -2.242 -4.428 286 HB ILE 37 HB ILE 37 -1.492 -2.377 -4.801 287 1HG1 ILE 37 HG1 ILE 37 -3.173 -2.966 -2.347 288 2HG1 ILE 37 HG1 ILE 37 -2.924 -4.179 -3.616 289 1HG2 ILE 37 HG2 ILE 37 -1.927 -0.060 -4.220 290 2HG2 ILE 37 HG2 ILE 37 -3.082 -0.547 -2.960 291 3HG2 ILE 37 HG2 ILE 37 -1.353 -0.898 -2.767 292 1HD1 ILE 37 HD1 ILE 37 -1.255 -4.503 -1.877 293 2HD1 ILE 37 HD1 ILE 37 -0.760 -2.799 -1.974 294 3HD1 ILE 37 HD1 ILE 37 -0.446 -3.895 -3.340 295 H LEU 38 H LEU 38 -2.275 -1.415 -7.162 296 HA LEU 38 HA LEU 38 -2.630 1.379 -7.103 297 1HB LEU 38 HB2 LEU 38 -2.277 -0.430 -9.528 298 2HB LEU 38 HB1 LEU 38 -2.044 1.322 -9.508 299 HG LEU 38 HG LEU 38 -0.427 -0.759 -8.012 300 1HD1 LEU 38 HD1 LEU 38 0.131 -0.482 -10.389 301 2HD1 LEU 38 HD1 LEU 38 0.279 1.278 -10.159 302 3HD1 LEU 38 HD1 LEU 38 1.424 0.177 -9.363 303 1HD2 LEU 38 HD2 LEU 38 0.970 1.193 -7.250 304 2HD2 LEU 38 HD2 LEU 38 -0.647 1.158 -6.517 305 3HD2 LEU 38 HD2 LEU 38 -0.297 2.278 -7.855 306 H ASP 39 H ASP 39 -4.545 -1.115 -8.869 307 HA ASP 39 HA ASP 39 -6.252 0.552 -10.282 308 1HB ASP 39 H ASP 39 -6.171 -1.910 -10.469 309 2HB ASP 39 H ASP 39 -6.948 -2.058 -8.880 310 H GLU 40 H GLU 40 -6.954 -0.811 -7.003 311 HA GLU 40 HA GLU 40 -9.362 0.640 -6.648 312 1HB GLU 40 H GLU 40 -7.396 -0.602 -4.695 313 2HB GLU 40 H GLU 40 -8.961 0.083 -4.209 314 1HG GLU 40 H GLU 40 -9.712 -1.515 -6.326 315 2HG GLU 40 H GLU 40 -8.358 -2.446 -5.656 316 H THR 41 H THR 41 -5.970 1.471 -5.684 317 HA THR 41 HA THR 41 -6.810 3.912 -4.329 318 HB THR 41 HB THR 41 -4.360 4.388 -4.321 319 HG1 THR 41 HG1 THR 41 -4.195 1.814 -5.486 320 1HG2 THR 41 HG2 THR 41 -5.543 1.844 -3.249 321 2HG2 THR 41 HG2 THR 41 -3.827 2.209 -2.979 322 3HG2 THR 41 HG2 THR 41 -5.072 3.329 -2.383 323 H GLN 42 H GLN 42 -6.615 3.087 -7.623 324 HA GLN 42 HA GLN 42 -6.683 4.326 -9.539 325 1HB GLN 42 HB1 GLN 42 -8.341 5.696 -8.172 326 2HB GLN 42 HB2 GLN 42 -7.000 6.798 -7.789 327 1HG GLN 42 HG1 GLN 42 -6.726 6.563 -10.514 328 2HG GLN 42 HG2 GLN 42 -8.486 6.422 -10.334 329 1HE2 GLN 42 HE2 GLN 42 -5.679 8.402 -9.263 330 2HE2 GLN 42 HE2 GLN 42 -6.540 9.930 -9.247 331 H HIS 43 H HIS 43 -4.250 3.540 -8.711 332 HA HIS 43 HA HIS 43 -2.482 5.843 -9.408 333 1HB HIS 43 HB2 HIS 43 -1.906 3.612 -7.422 334 2HB HIS 43 HB1 HIS 43 -0.800 4.917 -7.872 335 HD1 HIS 43 HD1 HIS 43 -3.400 7.060 -7.689 336 HD2 HIS 43 HD2 HIS 43 -1.811 4.555 -4.746 337 HE1 HIS 43 HE1 HIS 43 -4.043 8.008 -5.416 338 H LEU 44 H LEU 44 -3.672 3.943 -11.256 339 HA LEU 44 HA LEU 44 -1.738 1.835 -11.742 340 1HB LEU 44 HB2 LEU 44 -4.204 2.895 -13.060 341 2HB LEU 44 HB1 LEU 44 -3.052 2.009 -14.087 342 HG LEU 44 HG LEU 44 -3.829 0.860 -11.390 343 1HD1 LEU 44 HD1 LEU 44 -5.421 0.614 -13.990 344 2HD1 LEU 44 HD1 LEU 44 -5.694 -0.353 -12.520 345 3HD1 LEU 44 HD1 LEU 44 -5.974 1.405 -12.493 346 1HD2 LEU 44 HD2 LEU 44 -1.992 -0.156 -12.733 347 2HD2 LEU 44 HD2 LEU 44 -3.379 -1.259 -12.579 348 3HD2 LEU 44 HD2 LEU 44 -3.115 -0.368 -14.097 349 H ASP 45 H ASP 45 -2.420 5.076 -13.138 350 HA ASP 45 HA ASP 45 -0.057 4.923 -14.874 351 1HB ASP 45 H ASP 45 -1.940 7.232 -14.234 352 2HB ASP 45 H ASP 45 -0.745 7.184 -15.547 353 H ILE 46 H ILE 46 0.580 4.486 -12.154 354 HA ILE 46 HA ILE 46 1.488 6.957 -10.932 355 HB ILE 46 HB ILE 46 0.677 4.983 -9.675 356 1HG1 ILE 46 HG1 ILE 46 3.430 6.087 -9.176 357 2HG1 ILE 46 HG1 ILE 46 1.905 6.486 -8.373 358 1HG2 ILE 46 HG2 ILE 46 1.822 3.307 -11.236 359 2HG2 ILE 46 HG2 ILE 46 1.958 2.965 -9.502 360 3HG2 ILE 46 HG2 ILE 46 3.330 3.682 -10.375 361 1HD1 ILE 46 HD1 ILE 46 1.851 4.107 -7.484 362 2HD1 ILE 46 HD1 ILE 46 3.503 3.898 -8.123 363 3HD1 ILE 46 HD1 ILE 46 3.181 5.103 -6.854 364 H GLY 47 H GLY 47 2.848 4.410 -12.990 365 1HA GLY 47 HA2 GLY 47 4.751 4.787 -14.381 366 2HA GLY 47 HA1 GLY 47 5.371 5.973 -13.209 367 H LEU 48 H LEU 48 6.434 3.299 -14.432 368 HA LEU 48 HA LEU 48 6.523 1.369 -12.371 369 1HB LEU 48 HB1 LEU 48 8.086 0.227 -13.684 370 2HB LEU 48 HB2 LEU 48 7.158 1.155 -14.878 371 HG LEU 48 HG LEU 48 9.797 2.149 -13.693 372 1HD1 LEU 48 HD1 LEU 48 10.841 1.345 -15.786 373 2HD1 LEU 48 HD1 LEU 48 9.298 0.596 -16.263 374 3HD1 LEU 48 HD1 LEU 48 10.172 0.001 -14.829 375 1HD2 LEU 48 HD2 LEU 48 8.136 2.902 -16.141 376 2HD2 LEU 48 HD2 LEU 48 9.778 3.507 -15.823 377 3HD2 LEU 48 HD2 LEU 48 8.453 3.914 -14.714 378 H LYS 49 H LYS 49 8.314 4.379 -12.754 379 HA LYS 49 HA LYS 49 10.554 3.767 -11.114 380 1HB LYS 49 H LYS 49 9.061 6.386 -11.576 381 2HB LYS 49 H LYS 49 10.650 6.249 -10.787 382 1HG LYS 49 H LYS 49 11.394 4.975 -12.922 383 2HG LYS 49 H LYS 49 9.919 5.619 -13.672 384 1HD LYS 49 H LYS 49 12.094 7.301 -12.336 385 2HD LYS 49 H LYS 49 11.930 7.060 -14.089 386 1HE LYS 49 H LYS 49 9.816 8.323 -12.282 387 2HE LYS 49 H LYS 49 10.934 9.216 -13.331 388 1HZ LYS 49 H LYS 49 8.850 8.940 -14.397 389 2HZ LYS 49 H LYS 49 9.975 8.043 -15.204 390 3HZ LYS 49 H LYS 49 8.888 7.302 -14.210 391 H GLN 50 H GLN 50 7.199 4.676 -10.393 392 HA GLN 50 HA GLN 50 7.750 4.915 -7.508 393 1HB GLN 50 HB2 GLN 50 5.279 5.204 -9.242 394 2HB GLN 50 HB1 GLN 50 5.263 5.368 -7.473 395 1HG GLN 50 HG1 GLN 50 7.209 6.983 -9.126 396 2HG GLN 50 HG2 GLN 50 5.526 7.515 -8.955 397 1HE2 GLN 50 HE2 GLN 50 4.909 8.582 -7.145 398 2HE2 GLN 50 HE2 GLN 50 5.951 8.852 -5.771 399 H LYS 51 H LYS 51 5.954 2.785 -9.816 400 HA LYS 51 HA LYS 51 4.814 1.043 -7.914 401 1HB LYS 51 H LYS 51 4.410 1.121 -10.435 402 2HB LYS 51 H LYS 51 5.925 0.206 -10.621 403 1HG LYS 51 H LYS 51 4.971 -1.527 -9.025 404 2HG LYS 51 H LYS 51 3.426 -0.658 -9.104 405 1HD LYS 51 H LYS 51 4.920 -1.915 -11.453 406 2HD LYS 51 H LYS 51 3.434 -2.534 -10.696 407 1HE LYS 51 H LYS 51 2.459 -0.161 -11.269 408 2HE LYS 51 H LYS 51 3.814 -0.065 -12.410 409 1HZ LYS 51 H LYS 51 3.032 -2.115 -13.384 410 2HZ LYS 51 H LYS 51 1.754 -2.172 -12.337 411 3HZ LYS 51 H LYS 51 1.868 -0.951 -13.445 412 H GLN 52 H GLN 52 8.002 0.906 -9.560 413 HA GLN 52 HA GLN 52 8.951 -1.480 -8.408 414 1HB GLN 52 HB2 GLN 52 9.996 -0.314 -10.315 415 2HB GLN 52 HB1 GLN 52 10.455 1.036 -9.255 416 1HG GLN 52 HG2 GLN 52 11.335 -1.565 -8.194 417 2HG GLN 52 HG1 GLN 52 11.986 -1.242 -9.815 418 1HE2 GLN 52 HE2 GLN 52 12.503 -0.761 -6.520 419 2HE2 GLN 52 HE2 GLN 52 13.577 0.619 -6.607 420 H TRP 53 H TRP 53 9.284 1.947 -7.281 421 HA TRP 53 HA TRP 53 10.808 1.408 -4.966 422 1HB TRP 53 HB2 TRP 53 10.597 3.657 -5.630 423 2HB TRP 53 HB1 TRP 53 8.837 3.559 -5.747 424 HD1 TRP 53 HD1 TRP 53 11.401 3.114 -2.885 425 HE1 TRP 53 HE1 TRP 53 10.557 4.326 -0.776 426 HE3 TRP 53 HE3 TRP 53 6.952 4.917 -4.700 427 HZ2 TRP 53 HZ2 TRP 53 8.279 5.858 0.004 428 HZ3 TRP 53 HZ3 TRP 53 5.472 6.239 -3.234 429 HH2 TRP 53 HH2 TRP 53 6.128 6.725 -0.886 430 H LEU 54 H LEU 54 7.217 1.757 -5.282 431 HA LEU 54 HA LEU 54 6.562 1.185 -2.629 432 1HB LEU 54 HB2 LEU 54 5.096 0.556 -5.219 433 2HB LEU 54 HB1 LEU 54 4.365 0.374 -3.610 434 HG LEU 54 HG LEU 54 5.586 2.994 -4.578 435 1HD1 LEU 54 HD1 LEU 54 3.766 2.396 -6.100 436 2HD1 LEU 54 HD1 LEU 54 2.706 2.008 -4.724 437 3HD1 LEU 54 HD1 LEU 54 3.220 3.689 -5.006 438 1HD2 LEU 54 HD2 LEU 54 5.363 2.937 -2.184 439 2HD2 LEU 54 HD2 LEU 54 3.979 3.869 -2.791 440 3HD2 LEU 54 HD2 LEU 54 3.757 2.177 -2.286 441 H MET 55 H MET 55 7.151 -1.039 -5.356 442 HA MET 55 HA MET 55 6.360 -3.401 -3.942 443 1HB MET 55 HB2 MET 55 6.438 -2.982 -6.458 444 2HB MET 55 HB1 MET 55 8.201 -3.188 -6.356 445 1HG MET 55 HG1 MET 55 7.842 -5.435 -5.338 446 2HG MET 55 HG2 MET 55 6.095 -5.214 -5.519 447 1HE MET 55 HE1 MET 55 5.884 -7.508 -6.735 448 2HE MET 55 HE2 MET 55 7.636 -7.757 -6.538 449 3HE MET 55 HE3 MET 55 6.877 -7.994 -8.130 450 H THR 56 H THR 56 9.561 -1.786 -4.424 451 HA THR 56 HA THR 56 10.775 -3.987 -2.790 452 HB THR 56 HB THR 56 12.862 -3.550 -4.030 453 HG1 THR 56 HG1 THR 56 11.221 -1.673 -5.387 454 1HG2 THR 56 HG2 THR 56 10.508 -3.915 -5.936 455 2HG2 THR 56 HG2 THR 56 12.170 -4.511 -6.152 456 3HG2 THR 56 HG2 THR 56 11.140 -5.195 -4.872 457 H GLU 57 H GLU 57 9.557 -1.578 -1.583 458 HA GLU 57 HA GLU 57 11.773 -0.912 0.124 459 1HB GLU 57 H GLU 57 12.463 0.573 -1.662 460 2HB GLU 57 H GLU 57 10.825 1.223 -1.815 461 1HG GLU 57 H GLU 57 12.361 2.738 -0.555 462 2HG GLU 57 H GLU 57 10.947 2.244 0.391 463 H ALA 58 H ALA 58 8.857 0.913 -0.993 464 HA ALA 58 HA ALA 58 8.141 1.689 1.631 465 1HB ALA 58 HB1 ALA 58 7.406 2.637 -0.665 466 2HB ALA 58 HB2 ALA 58 6.143 1.385 -0.614 467 3HB ALA 58 HB3 ALA 58 6.220 2.617 0.659 468 H LEU 59 H LEU 59 6.405 -0.730 -0.453 469 HA LEU 59 HA LEU 59 4.906 -1.648 1.866 470 1HB LEU 59 HB2 LEU 59 5.034 -2.814 -0.944 471 2HB LEU 59 HB1 LEU 59 3.779 -3.106 0.279 472 HG LEU 59 HG LEU 59 4.402 -0.424 -1.051 473 1HD1 LEU 59 HD1 LEU 59 1.974 -2.259 -1.230 474 2HD1 LEU 59 HD1 LEU 59 2.187 -0.706 -2.074 475 3HD1 LEU 59 HD1 LEU 59 3.227 -2.089 -2.482 476 1HD2 LEU 59 HD2 LEU 59 3.671 0.023 1.206 477 2HD2 LEU 59 HD2 LEU 59 2.409 -1.227 1.109 478 3HD2 LEU 59 HD2 LEU 59 2.262 0.265 0.151 479 H VAL 60 H VAL 60 7.889 -1.997 1.914 480 HA VAL 60 HA VAL 60 7.968 -4.975 2.158 481 HB VAL 60 HB VAL 60 10.236 -2.987 1.699 482 1HG1 VAL 60 HG1 VAL 60 10.180 -6.026 1.951 483 2HG1 VAL 60 HG1 VAL 60 10.994 -4.880 3.043 484 3HG1 VAL 60 HG1 VAL 60 11.580 -5.089 1.378 485 1HG2 VAL 60 HG2 VAL 60 8.919 -5.066 -0.106 486 2HG2 VAL 60 HG2 VAL 60 8.869 -3.300 -0.316 487 3HG2 VAL 60 HG2 VAL 60 10.406 -4.174 -0.501 488 H ASN 61 H ASN 61 8.840 -1.816 3.637 489 HA ASN 61 HA ASN 61 9.233 -3.247 6.236 490 1HB ASN 61 HB2 ASN 61 10.653 -1.253 6.832 491 2HB ASN 61 HB1 ASN 61 11.303 -2.270 5.531 492 1HD2 ASN 61 HD2 ASN 61 12.398 -0.919 4.201 493 2HD2 ASN 61 HD2 ASN 61 11.746 0.542 3.481 494 H ASN 62 H ASN 62 6.883 -1.551 4.634 495 HA ASN 62 HA ASN 62 6.206 0.517 6.468 496 1HB ASN 62 HB1 ASN 62 5.268 0.329 4.197 497 2HB ASN 62 HB2 ASN 62 4.406 -1.145 4.671 498 1HD2 ASN 62 HD2 ASN 62 4.621 2.370 5.043 499 2HD2 ASN 62 HD2 ASN 62 3.049 2.589 5.776 500 HA PRO 63 HA PRO 63 5.168 -2.024 9.955 501 1HB PRO 63 HB1 PRO 63 3.491 0.012 11.132 502 2HB PRO 63 HB2 PRO 63 5.160 -0.443 11.573 503 1HG PRO 63 HG2 PRO 63 4.244 1.918 10.134 504 2HG PRO 63 HG1 PRO 63 5.899 1.516 10.672 505 1HD PRO 63 HD1 PRO 63 4.866 1.468 7.995 506 2HD PRO 63 HD2 PRO 63 6.487 0.957 8.550 507 H LYS 64 H LYS 64 2.686 -0.322 8.030 508 HA LYS 64 HA LYS 64 0.599 -2.150 9.083 509 1HB LYS 64 H LYS 64 0.566 0.479 7.586 510 2HB LYS 64 H LYS 64 -0.866 -0.566 7.626 511 1HG LYS 64 H LYS 64 -1.318 0.628 9.535 512 2HG LYS 64 H LYS 64 -0.269 -0.604 10.264 513 1HD LYS 64 H LYS 64 0.676 1.388 11.073 514 2HD LYS 64 H LYS 64 1.677 1.057 9.643 515 1HE LYS 64 H LYS 64 1.126 3.327 9.374 516 2HE LYS 64 H LYS 64 -0.078 2.508 8.358 517 1HZ LYS 64 H LYS 64 -1.624 2.675 10.176 518 2HZ LYS 64 H LYS 64 -0.504 3.447 11.109 519 3HZ LYS 64 H LYS 64 -1.075 4.168 9.740 520 H ILE 65 H ILE 65 2.702 -3.257 7.381 521 HA ILE 65 HA ILE 65 0.906 -4.405 5.365 522 HB ILE 65 HB ILE 65 2.480 -2.294 4.543 523 1HG1 ILE 65 HG1 ILE 65 2.274 -3.443 2.218 524 2HG1 ILE 65 HG1 ILE 65 1.439 -4.748 3.088 525 1HG2 ILE 65 HG2 ILE 65 4.406 -3.139 3.369 526 2HG2 ILE 65 HG2 ILE 65 4.533 -3.724 5.036 527 3HG2 ILE 65 HG2 ILE 65 3.987 -4.822 3.743 528 1HD1 ILE 65 HD1 ILE 65 0.635 -1.810 3.252 529 2HD1 ILE 65 HD1 ILE 65 -0.268 -3.209 3.877 530 3HD1 ILE 65 HD1 ILE 65 -0.094 -2.976 2.125 531 H GLU 66 H GLU 66 1.724 -6.401 4.477 532 HA GLU 66 HA GLU 66 4.230 -7.495 5.471 533 1HB GLU 66 H GLU 66 3.077 -9.483 6.547 534 2HB GLU 66 H GLU 66 2.943 -7.957 7.445 535 1HG GLU 66 H GLU 66 0.680 -7.597 6.426 536 2HG GLU 66 H GLU 66 0.822 -9.172 5.628 537 H VAL 67 H VAL 67 4.958 -9.116 4.103 538 HA VAL 67 HA VAL 67 3.402 -9.415 1.629 539 HB VAL 67 HB VAL 67 6.192 -10.406 2.357 540 1HG1 VAL 67 HG1 VAL 67 5.188 -11.593 0.440 541 2HG1 VAL 67 HG1 VAL 67 6.462 -10.487 -0.125 542 3HG1 VAL 67 HG1 VAL 67 4.749 -10.040 -0.310 543 1HG2 VAL 67 HG2 VAL 67 5.206 -7.851 1.022 544 2HG2 VAL 67 HG2 VAL 67 6.134 -7.983 2.532 545 3HG2 VAL 67 HG2 VAL 67 6.897 -8.399 0.981 546 H ILE 68 H ILE 68 1.847 -10.952 1.641 547 HA ILE 68 HA ILE 68 2.534 -13.616 2.817 548 HB ILE 68 HB ILE 68 -0.025 -12.011 2.742 549 1HG1 ILE 68 HG1 ILE 68 -0.243 -13.005 5.025 550 2HG1 ILE 68 HG1 ILE 68 1.278 -13.891 4.774 551 1HG2 ILE 68 HG2 ILE 68 -0.725 -14.017 1.578 552 2HG2 ILE 68 HG2 ILE 68 -1.244 -14.188 3.269 553 3HG2 ILE 68 HG2 ILE 68 0.199 -15.054 2.691 554 1HD1 ILE 68 HD1 ILE 68 2.572 -11.950 4.882 555 2HD1 ILE 68 HD1 ILE 68 1.279 -11.570 6.037 556 3HD1 ILE 68 HD1 ILE 68 1.225 -10.901 4.391 557 H ASP 69 H ASP 69 2.850 -15.173 1.335 558 HA ASP 69 HA ASP 69 2.917 -16.264 -0.673 559 1HB ASP 69 H ASP 69 0.513 -16.554 0.024 560 2HB ASP 69 H ASP 69 0.094 -15.159 -0.991 561 H GLY 70 H GLY 70 4.019 -13.587 -0.669 562 1HA GLY 70 HA2 GLY 70 5.084 -12.388 -2.359 563 2HA GLY 70 HA1 GLY 70 4.027 -13.144 -3.566 564 H LYS 71 H LYS 71 1.507 -12.422 -2.103 565 HA LYS 71 HA LYS 71 1.249 -9.741 -3.227 566 1HB LYS 71 H LYS 71 -0.623 -11.748 -1.978 567 2HB LYS 71 H LYS 71 -1.124 -10.068 -2.122 568 1HG LYS 71 H LYS 71 -1.914 -11.160 -4.095 569 2HG LYS 71 H LYS 71 -0.509 -10.199 -4.574 570 1HD LYS 71 H LYS 71 -0.306 -12.329 -5.655 571 2HD LYS 71 H LYS 71 0.907 -12.283 -4.368 572 1HE LYS 71 H LYS 71 -0.630 -13.574 -2.887 573 2HE LYS 71 H LYS 71 -1.841 -13.605 -4.184 574 1HZ LYS 71 H LYS 71 -0.543 -15.615 -4.074 575 2HZ LYS 71 H LYS 71 -0.292 -14.834 -5.512 576 3HZ LYS 71 H LYS 71 0.856 -14.767 -4.324 577 H TYR 72 H TYR 72 0.259 -7.954 -1.941 578 HA TYR 72 HA TYR 72 1.631 -7.806 0.695 579 1HB TYR 72 HB2 TYR 72 0.505 -5.653 -1.129 580 2HB TYR 72 HB1 TYR 72 1.386 -5.376 0.384 581 HD1 TYR 72 HD1 TYR 72 3.802 -5.842 0.541 582 HD2 TYR 72 HD2 TYR 72 1.660 -6.376 -3.157 583 HE1 TYR 72 HE1 TYR 72 5.956 -5.993 -0.688 584 HE2 TYR 72 HE2 TYR 72 3.815 -6.529 -4.382 585 HH TYR 72 HH TYR 72 6.109 -6.719 -4.166 586 H ALA 73 H ALA 73 0.480 -7.961 2.494 587 HA ALA 73 HA ALA 73 -2.468 -7.474 2.368 588 1HB ALA 73 HB1 ALA 73 -1.899 -9.811 2.866 589 2HB ALA 73 HB2 ALA 73 -2.571 -9.028 4.315 590 3HB ALA 73 HB3 ALA 73 -0.817 -9.289 4.174 591 H PHE 74 H PHE 74 -3.418 -6.416 4.192 592 HA PHE 74 HA PHE 74 -1.705 -4.316 5.257 593 1HB PHE 74 HB2 PHE 74 -3.936 -3.759 4.551 594 2HB PHE 74 HB1 PHE 74 -4.637 -5.022 5.563 595 HD1 PHE 74 HD1 PHE 74 -5.126 -4.643 7.855 596 HD2 PHE 74 HD2 PHE 74 -2.849 -1.739 5.654 597 HE1 PHE 74 HE1 PHE 74 -5.430 -3.023 9.701 598 HE2 PHE 74 HE2 PHE 74 -3.122 -0.122 7.522 599 HZ PHE 74 HZ PHE 74 -4.435 -0.764 9.539 600 H LYS 75 H LYS 75 -0.427 -4.687 6.981 601 HA LYS 75 HA LYS 75 -1.015 -6.753 8.921 602 1HB LYS 75 H LYS 75 1.294 -6.029 8.337 603 2HB LYS 75 H LYS 75 0.951 -4.428 9.022 604 1HG LYS 75 H LYS 75 0.512 -5.454 11.232 605 2HG LYS 75 H LYS 75 0.817 -7.067 10.545 606 1HD LYS 75 H LYS 75 3.076 -5.570 9.794 607 2HD LYS 75 H LYS 75 2.724 -5.014 11.446 608 1HE LYS 75 H LYS 75 4.176 -6.905 11.678 609 2HE LYS 75 H LYS 75 2.550 -7.478 12.110 610 1HZ LYS 75 H LYS 75 3.877 -7.839 9.513 611 2HZ LYS 75 H LYS 75 2.347 -8.345 9.874 612 3HZ LYS 75 H LYS 75 3.646 -9.003 10.655 613 HA PRO 76 HA PRO 76 -4.145 -4.317 10.922 614 1HB PRO 76 HB1 PRO 76 -3.594 -5.770 13.418 615 2HB PRO 76 HB2 PRO 76 -5.075 -5.729 12.421 616 1HG PRO 76 HG2 PRO 76 -3.206 -7.864 12.576 617 2HG PRO 76 HG1 PRO 76 -4.505 -7.675 11.363 618 1HD PRO 76 HD1 PRO 76 -1.616 -7.371 11.013 619 2HD PRO 76 HD2 PRO 76 -2.906 -7.371 9.773 620 H LYS 77 H LYS 77 -3.977 -2.332 11.737 621 HA LYS 77 HA LYS 77 -1.515 -1.288 12.728 622 1HB LYS 77 H LYS 77 -2.817 0.765 13.084 623 2HB LYS 77 H LYS 77 -3.258 0.029 11.528 624 1HG LYS 77 H LYS 77 -5.397 0.345 12.308 625 2HG LYS 77 H LYS 77 -5.088 -1.196 13.136 626 1HD LYS 77 H LYS 77 -4.013 0.535 14.953 627 2HD LYS 77 H LYS 77 -5.264 1.578 14.248 628 1HE LYS 77 H LYS 77 -5.719 -1.224 15.375 629 2HE LYS 77 H LYS 77 -6.095 0.292 16.218 630 1HZ LYS 77 H LYS 77 -7.278 -0.593 13.680 631 2HZ LYS 77 H LYS 77 -8.016 -0.621 15.154 632 3HZ LYS 77 H LYS 77 -7.620 0.821 14.457 633 H TYR 78 H TYR 78 -1.180 -0.279 14.854 634 HA TYR 78 HA TYR 78 -2.504 -1.830 17.037 635 1HB TYR 78 HB1 TYR 78 0.264 -0.584 17.044 636 2HB TYR 78 HB2 TYR 78 -0.423 -1.702 18.236 637 HD1 TYR 78 HD1 TYR 78 1.861 -1.528 15.632 638 HD2 TYR 78 HD2 TYR 78 -1.434 -3.957 16.977 639 HE1 TYR 78 HE1 TYR 78 2.738 -3.450 14.322 640 HE2 TYR 78 HE2 TYR 78 -0.558 -5.872 15.667 641 HH TYR 78 HH TYR 78 1.083 -6.624 14.260 642 H ASN 79 H ASN 79 -3.658 -0.681 18.458 643 HA ASN 79 HA ASN 79 -4.507 1.053 19.674 644 1HB ASN 79 HB2 ASN 79 -2.104 2.718 18.831 645 2HB ASN 79 HB1 ASN 79 -3.173 2.978 20.219 646 1HD2 ASN 79 HD2 ASN 79 -3.207 1.282 21.930 647 2HD2 ASN 79 HD2 ASN 79 -1.741 0.382 22.244 648 H VAL 80 H VAL 80 -5.977 2.732 19.314 649 HA VAL 80 HA VAL 80 -6.728 3.140 16.568 650 HB VAL 80 HB VAL 80 -8.293 3.036 18.542 651 1HG1 VAL 80 HG1 VAL 80 -8.589 4.982 19.952 652 2HG1 VAL 80 HG1 VAL 80 -6.873 4.520 20.024 653 3HG1 VAL 80 HG1 VAL 80 -7.383 5.902 19.027 654 1HG2 VAL 80 HG2 VAL 80 -8.461 5.597 16.892 655 2HG2 VAL 80 HG2 VAL 80 -9.814 4.748 17.674 656 3HG2 VAL 80 HG2 VAL 80 -8.947 3.983 16.322 657 H ARG 81 H ARG 81 -4.733 4.918 18.886 658 HA ARG 81 HA ARG 81 -3.854 6.685 16.729 659 1HB ARG 81 H ARG 81 -4.660 8.676 17.492 660 2HB ARG 81 H ARG 81 -5.937 7.661 18.184 661 1HG ARG 81 H ARG 81 -3.406 8.468 19.704 662 2HG ARG 81 H ARG 81 -4.930 9.367 19.778 663 1HD ARG 81 H ARG 81 -4.804 6.400 20.408 664 2HD ARG 81 H ARG 81 -4.500 7.642 21.638 665 HE ARG 81 H ARG 81 -6.942 8.227 20.271 666 1HH1 ARG 81 H ARG 81 -5.536 5.915 22.551 667 2HH1 ARG 81 H ARG 81 -7.042 5.605 23.380 668 1HH2 ARG 81 H ARG 81 -8.931 7.824 21.373 669 2HH2 ARG 81 H ARG 81 -8.983 6.687 22.701 Start of MODEL 14 1 1H ALA 1 H1 ALA 1 11.349 21.857 2.661 2 2H ALA 1 H2 ALA 1 12.680 21.824 3.636 3 3H ALA 1 H3 ALA 1 12.075 23.268 3.112 4 HA ALA 1 HA ALA 1 10.726 21.379 4.902 5 1HB ALA 1 HB1 ALA 1 12.030 24.080 5.432 6 2HB ALA 1 HB2 ALA 1 12.547 22.496 6.058 7 3HB ALA 1 HB3 ALA 1 11.005 23.205 6.594 8 H LEU 2 H LEU 2 10.606 24.929 4.243 9 HA LEU 2 HA LEU 2 7.698 24.855 4.329 10 1HB LEU 2 HB1 LEU 2 9.005 26.734 5.277 11 2HB LEU 2 HB2 LEU 2 9.660 27.095 3.665 12 HG LEU 2 HG LEU 2 7.328 27.513 2.841 13 1HD1 LEU 2 HD1 LEU 2 5.573 27.847 4.678 14 2HD1 LEU 2 HD1 LEU 2 5.988 26.158 4.310 15 3HD1 LEU 2 HD1 LEU 2 6.662 26.944 5.759 16 1HD2 LEU 2 HD2 LEU 2 7.017 29.654 4.027 17 2HD2 LEU 2 HD2 LEU 2 8.097 29.101 5.328 18 3HD2 LEU 2 HD2 LEU 2 8.741 29.369 3.691 19 H SER 3 H SER 3 7.060 23.541 2.582 20 HA SER 3 HA SER 3 7.074 24.915 -0.015 21 1HB SER 3 HB2 SER 3 7.868 22.791 -1.166 22 2HB SER 3 HB1 SER 3 9.119 23.658 -0.247 23 HG SER 3 HG SER 3 8.899 21.288 0.076 24 H GLY 4 H GLY 4 5.068 24.345 2.003 25 1HA GLY 4 HA2 GLY 4 2.905 23.582 2.118 26 2HA GLY 4 HA1 GLY 4 2.994 23.315 0.363 27 H SER 5 H SER 5 1.815 21.346 0.470 28 HA SER 5 HA SER 5 2.760 19.159 2.152 29 1HB SER 5 HB1 SER 5 1.000 17.900 0.765 30 2HB SER 5 HB2 SER 5 0.409 19.251 1.760 31 HG SER 5 HG SER 5 -0.383 19.292 -0.409 32 H SER 6 H SER 6 4.043 17.449 1.544 33 HA SER 6 HA SER 6 5.721 17.793 -0.772 34 1HB SER 6 HB2 SER 6 6.536 16.781 1.313 35 2HB SER 6 HB1 SER 6 5.378 15.443 1.141 36 HG SER 6 HG SER 6 6.434 14.849 -0.768 37 H GLY 7 H GLY 7 3.519 15.049 0.119 38 1HA GLY 7 HA1 GLY 7 2.025 13.876 -1.212 39 2HA GLY 7 HA2 GLY 7 2.365 14.985 -2.558 40 H TYR 8 H TYR 8 5.101 14.737 -2.880 41 HA TYR 8 HA TYR 8 5.446 12.542 -4.523 42 1HB TYR 8 HB1 TYR 8 6.876 14.565 -4.381 43 2HB TYR 8 HB2 TYR 8 7.525 13.994 -2.839 44 HD1 TYR 8 HD1 TYR 8 6.916 12.131 -6.071 45 HD2 TYR 8 HD2 TYR 8 9.787 13.584 -3.204 46 HE1 TYR 8 HE1 TYR 8 8.733 10.965 -7.296 47 HE2 TYR 8 HE2 TYR 8 11.600 12.423 -4.435 48 HH TYR 8 HH TYR 8 12.145 11.086 -6.204 49 H LYS 9 H LYS 9 5.260 10.436 -4.080 50 HA LYS 9 HA LYS 9 5.653 8.368 -3.172 51 1HB LYS 9 H LYS 9 7.354 9.560 -0.952 52 2HB LYS 9 H LYS 9 7.406 7.944 -1.650 53 1HG LYS 9 H LYS 9 7.995 9.318 -3.854 54 2HG LYS 9 H LYS 9 8.571 10.477 -2.641 55 1HD LYS 9 H LYS 9 9.676 8.337 -1.541 56 2HD LYS 9 H LYS 9 9.490 7.642 -3.167 57 1HE LYS 9 H LYS 9 11.682 8.615 -3.058 58 2HE LYS 9 H LYS 9 10.689 9.680 -4.071 59 1HZ LYS 9 H LYS 9 10.407 11.119 -2.203 60 2HZ LYS 9 H LYS 9 11.255 10.104 -1.218 61 3HZ LYS 9 H LYS 9 12.017 10.876 -2.460 62 H PHE 10 H PHE 10 5.729 10.636 -0.410 63 HA PHE 10 HA PHE 10 4.531 8.933 1.392 64 1HB PHE 10 HB2 PHE 10 4.188 11.939 1.421 65 2HB PHE 10 HB1 PHE 10 4.336 10.839 2.804 66 HD1 PHE 10 HD1 PHE 10 6.070 13.225 0.938 67 HD2 PHE 10 HD2 PHE 10 6.614 9.303 2.629 68 HE1 PHE 10 HE1 PHE 10 8.533 13.543 0.881 69 HE2 PHE 10 HE2 PHE 10 9.077 9.621 2.570 70 HZ PHE 10 HZ PHE 10 10.038 11.735 1.684 71 H GLY 11 H GLY 11 2.948 11.211 -0.874 72 1HA GLY 11 HA2 GLY 11 0.318 10.990 0.209 73 2HA GLY 11 HA1 GLY 11 0.740 11.483 -1.445 74 H VAL 12 H VAL 12 1.940 9.267 -2.521 75 HA VAL 12 HA VAL 12 -0.300 7.622 -3.165 76 HB VAL 12 HB VAL 12 2.700 7.289 -3.663 77 1HG1 VAL 12 HG1 VAL 12 1.631 5.097 -3.854 78 2HG1 VAL 12 HG1 VAL 12 0.268 5.788 -4.772 79 3HG1 VAL 12 HG1 VAL 12 1.894 5.726 -5.496 80 1HG2 VAL 12 HG2 VAL 12 0.377 8.288 -5.392 81 2HG2 VAL 12 HG2 VAL 12 1.669 9.296 -4.692 82 3HG2 VAL 12 HG2 VAL 12 2.060 8.088 -5.938 83 H LEU 13 H LEU 13 2.605 7.040 -1.113 84 HA LEU 13 HA LEU 13 1.995 4.354 -0.452 85 1HB LEU 13 HB2 LEU 13 4.197 5.444 -0.110 86 2HB LEU 13 HB1 LEU 13 3.487 6.478 1.151 87 HG LEU 13 HG LEU 13 2.927 4.455 2.491 88 1HD1 LEU 13 HD1 LEU 13 2.605 2.737 0.864 89 2HD1 LEU 13 HD1 LEU 13 4.103 2.286 1.706 90 3HD1 LEU 13 HD1 LEU 13 4.183 3.050 0.102 91 1HD2 LEU 13 HD2 LEU 13 5.251 3.847 3.085 92 2HD2 LEU 13 HD2 LEU 13 5.101 5.599 2.811 93 3HD2 LEU 13 HD2 LEU 13 5.831 4.561 1.562 94 H ALA 14 H ALA 14 1.189 7.461 1.195 95 HA ALA 14 HA ALA 14 -0.170 6.332 3.414 96 1HB ALA 14 HB1 ALA 14 0.506 8.686 3.325 97 2HB ALA 14 HB2 ALA 14 -1.252 8.572 3.567 98 3HB ALA 14 HB3 ALA 14 -0.601 8.980 1.962 99 H LYS 15 H LYS 15 -1.322 7.264 0.119 100 HA LYS 15 HA LYS 15 -4.065 6.764 0.577 101 1HB LYS 15 H LYS 15 -2.261 6.912 -1.805 102 2HB LYS 15 H LYS 15 -3.786 6.054 -2.039 103 1HG LYS 15 H LYS 15 -3.403 8.940 -1.157 104 2HG LYS 15 H LYS 15 -4.129 8.348 -2.667 105 1HD LYS 15 H LYS 15 -5.306 8.238 0.145 106 2HD LYS 15 H LYS 15 -5.963 9.025 -1.298 107 1HE LYS 15 H LYS 15 -6.356 6.849 -2.365 108 2HE LYS 15 H LYS 15 -5.638 6.009 -0.976 109 1HZ LYS 15 H LYS 15 -8.045 6.078 -0.925 110 2HZ LYS 15 H LYS 15 -8.010 7.722 -0.818 111 3HZ LYS 15 H LYS 15 -7.371 6.801 0.397 112 H ILE 16 H ILE 16 -1.500 4.570 -0.703 113 HA ILE 16 HA ILE 16 -3.134 2.305 -1.035 114 HB ILE 16 HB ILE 16 -0.185 2.618 -0.364 115 1HG1 ILE 16 HG1 ILE 16 -1.490 1.653 -2.936 116 2HG1 ILE 16 HG1 ILE 16 -1.280 3.385 -2.605 117 1HG2 ILE 16 HG2 ILE 16 -0.770 0.421 0.442 118 2HG2 ILE 16 HG2 ILE 16 -1.823 0.117 -0.959 119 3HG2 ILE 16 HG2 ILE 16 -0.060 0.188 -1.167 120 1HD1 ILE 16 HD1 ILE 16 0.630 2.599 -3.896 121 2HD1 ILE 16 HD1 ILE 16 0.926 1.285 -2.736 122 3HD1 ILE 16 HD1 ILE 16 1.172 2.977 -2.244 123 H VAL 17 H VAL 17 -1.220 3.324 1.856 124 HA VAL 17 HA VAL 17 -1.916 1.141 3.512 125 HB VAL 17 HB VAL 17 -1.058 4.005 3.983 126 1HG1 VAL 17 HG1 VAL 17 -0.827 3.405 6.410 127 2HG1 VAL 17 HG1 VAL 17 -2.515 3.547 5.881 128 3HG1 VAL 17 HG1 VAL 17 -1.786 1.937 6.102 129 1HG2 VAL 17 HG2 VAL 17 0.555 2.242 3.202 130 2HG2 VAL 17 HG2 VAL 17 0.970 2.911 4.797 131 3HG2 VAL 17 HG2 VAL 17 0.197 1.311 4.678 132 H ASN 18 H ASN 18 -3.546 4.314 3.035 133 HA ASN 18 HA ASN 18 -5.569 3.928 5.003 134 1HB ASN 18 HB2 ASN 18 -5.323 6.135 4.312 135 2HB ASN 18 HB1 ASN 18 -5.138 5.697 2.604 136 1HD2 ASN 18 HD2 ASN 18 -7.628 5.361 5.211 137 2HD2 ASN 18 HD2 ASN 18 -8.981 5.821 4.200 138 H TYR 19 H TYR 19 -5.605 3.384 1.440 139 HA TYR 19 HA TYR 19 -8.295 2.518 1.290 140 1HB TYR 19 HB2 TYR 19 -7.664 2.881 -0.834 141 2HB TYR 19 HB1 TYR 19 -5.952 2.737 -0.430 142 HD1 TYR 19 HD1 TYR 19 -8.956 0.878 -1.529 143 HD2 TYR 19 HD2 TYR 19 -4.721 0.723 -0.840 144 HE1 TYR 19 HE1 TYR 19 -8.826 -1.282 -2.741 145 HE2 TYR 19 HE2 TYR 19 -4.602 -1.432 -2.047 146 HH TYR 19 HH TYR 19 -7.480 -2.961 -3.521 147 H MET 20 H MET 20 -5.227 0.619 1.679 148 HA MET 20 HA MET 20 -6.497 -1.940 1.667 149 1HB MET 20 HB2 MET 20 -3.887 -0.884 2.812 150 2HB MET 20 HB1 MET 20 -4.383 -2.575 3.024 151 1HG MET 20 HG1 MET 20 -4.121 -1.165 0.352 152 2HG MET 20 HG2 MET 20 -2.897 -2.225 1.050 153 1HE MET 20 HE1 MET 20 -3.009 -4.728 1.266 154 2HE MET 20 HE2 MET 20 -4.410 -5.751 0.868 155 3HE MET 20 HE3 MET 20 -4.472 -4.668 2.278 156 H LYS 21 H LYS 21 -5.592 0.293 4.335 157 HA LYS 21 HA LYS 21 -6.372 -1.322 6.500 158 1HB LYS 21 H LYS 21 -5.079 0.659 6.853 159 2HB LYS 21 H LYS 21 -6.296 1.684 6.065 160 1HG LYS 21 H LYS 21 -7.825 1.454 7.868 161 2HG LYS 21 H LYS 21 -6.934 0.077 8.563 162 1HD LYS 21 H LYS 21 -5.254 1.433 9.435 163 2HD LYS 21 H LYS 21 -5.490 2.692 8.203 164 1HE LYS 21 H LYS 21 -6.256 3.436 10.436 165 2HE LYS 21 H LYS 21 -7.583 3.391 9.256 166 1HZ LYS 21 H LYS 21 -8.273 1.319 10.176 167 2HZ LYS 21 H LYS 21 -7.007 1.297 11.239 168 3HZ LYS 21 H LYS 21 -8.181 2.447 11.378 169 H THR 22 H THR 22 -8.304 1.185 4.752 170 HA THR 22 HA THR 22 -10.664 0.894 6.273 171 HB THR 22 HB THR 22 -10.386 1.606 3.312 172 HG1 THR 22 HG1 THR 22 -9.082 2.931 4.530 173 1HG2 THR 22 HG2 THR 22 -12.437 2.967 3.795 174 2HG2 THR 22 HG2 THR 22 -12.717 1.221 3.983 175 3HG2 THR 22 HG2 THR 22 -12.500 2.247 5.422 176 H ARG 23 H ARG 23 -9.551 -0.878 3.339 177 HA ARG 23 HA ARG 23 -11.972 -2.396 3.036 178 1HB ARG 23 H ARG 23 -9.145 -2.582 2.017 179 2HB ARG 23 H ARG 23 -10.291 -3.907 1.728 180 1HG ARG 23 H ARG 23 -11.799 -2.507 0.532 181 2HG ARG 23 H ARG 23 -11.037 -1.028 1.151 182 1HD ARG 23 H ARG 23 -10.056 -1.021 -0.885 183 2HD ARG 23 H ARG 23 -8.901 -2.116 -0.107 184 HE ARG 23 H ARG 23 -10.766 -2.727 -2.250 185 1HH1 ARG 23 H ARG 23 -8.660 -4.071 0.259 186 2HH1 ARG 23 H ARG 23 -9.045 -5.739 -0.113 187 1HH2 ARG 23 H ARG 23 -10.964 -4.912 -2.958 188 2HH2 ARG 23 H ARG 23 -10.550 -6.211 -1.851 189 H HIS 24 H HIS 24 -8.883 -2.951 4.734 190 HA HIS 24 HA HIS 24 -9.358 -5.632 5.537 191 1HB HIS 24 HB1 HIS 24 -7.184 -4.366 5.564 192 2HB HIS 24 HB2 HIS 24 -7.786 -3.441 6.947 193 HD1 HIS 24 HD1 HIS 24 -6.311 -6.760 5.979 194 HD2 HIS 24 HD2 HIS 24 -7.910 -4.929 9.384 195 HE1 HIS 24 HE1 HIS 24 -5.688 -8.188 7.990 196 H GLN 25 H GLN 25 -10.359 -2.487 6.849 197 HA GLN 25 HA GLN 25 -11.262 -3.449 9.388 198 1HB GLN 25 HB2 GLN 25 -11.599 -0.969 7.723 199 2HB GLN 25 HB1 GLN 25 -12.698 -1.218 9.092 200 1HG GLN 25 HG2 GLN 25 -10.772 -1.508 10.604 201 2HG GLN 25 HG1 GLN 25 -9.657 -1.310 9.235 202 1HE2 GLN 25 HE2 GLN 25 -12.295 0.346 11.033 203 2HE2 GLN 25 HE2 GLN 25 -11.703 1.969 10.750 204 H ARG 26 H ARG 26 -13.022 -2.850 6.257 205 HA ARG 26 HA ARG 26 -15.559 -3.530 7.436 206 1HB ARG 26 H ARG 26 -16.432 -3.472 5.145 207 2HB ARG 26 H ARG 26 -15.422 -2.054 5.498 208 1HG ARG 26 H ARG 26 -13.550 -3.032 4.286 209 2HG ARG 26 H ARG 26 -14.449 -4.539 4.024 210 1HD ARG 26 H ARG 26 -16.168 -3.267 2.744 211 2HD ARG 26 H ARG 26 -15.228 -1.780 2.986 212 HE ARG 26 H ARG 26 -13.772 -2.433 1.313 213 1HH1 ARG 26 H ARG 26 -15.674 -5.230 2.376 214 2HH1 ARG 26 H ARG 26 -15.126 -6.264 1.079 215 1HH2 ARG 26 H ARG 26 -13.134 -3.782 -0.455 216 2HH2 ARG 26 H ARG 26 -13.589 -5.471 -0.470 217 H GLY 27 H GLY 27 -13.081 -5.496 5.690 218 1HA GLY 27 HA1 GLY 27 -13.707 -7.906 6.844 219 2HA GLY 27 HA2 GLY 27 -14.899 -7.788 5.534 220 H ASP 28 H ASP 28 -12.999 -6.262 3.765 221 HA ASP 28 HA ASP 28 -11.747 -8.575 2.526 222 1HB ASP 28 H ASP 28 -12.808 -6.635 1.340 223 2HB ASP 28 H ASP 28 -11.456 -5.626 1.871 224 H THR 29 H THR 29 -10.444 -9.197 4.409 225 HA THR 29 HA THR 29 -8.147 -7.461 5.065 226 HB THR 29 HB THR 29 -7.721 -9.231 6.781 227 HG1 THR 29 HG1 THR 29 -8.583 -10.998 5.696 228 1HG2 THR 29 HG2 THR 29 -9.184 -7.345 7.344 229 2HG2 THR 29 HG2 THR 29 -10.587 -8.197 6.673 230 3HG2 THR 29 HG2 THR 29 -9.772 -8.827 8.121 231 H HIS 30 H HIS 30 -8.946 -10.012 2.877 232 HA HIS 30 HA HIS 30 -6.571 -11.532 2.942 233 1HB HIS 30 HB1 HIS 30 -7.416 -12.612 1.094 234 2HB HIS 30 HB2 HIS 30 -8.894 -11.893 1.754 235 HD1 HIS 30 HD1 HIS 30 -8.953 -9.084 0.655 236 HD2 HIS 30 HD2 HIS 30 -7.577 -12.326 -1.616 237 HE1 HIS 30 HE1 HIS 30 -9.127 -8.447 -1.791 238 HA PRO 31 HA PRO 31 -3.517 -8.950 1.095 239 1HB PRO 31 HB1 PRO 31 -2.340 -11.085 -0.467 240 2HB PRO 31 HB2 PRO 31 -1.734 -10.372 1.045 241 1HG PRO 31 HG2 PRO 31 -2.915 -12.963 0.663 242 2HG PRO 31 HG1 PRO 31 -2.422 -12.212 2.205 243 1HD PRO 31 HD1 PRO 31 -5.108 -12.628 1.164 244 2HD PRO 31 HD2 PRO 31 -4.601 -12.010 2.764 245 H LEU 32 H LEU 32 -2.807 -8.045 -0.968 246 HA LEU 32 HA LEU 32 -4.344 -8.914 -3.366 247 1HB LEU 32 HB2 LEU 32 -4.293 -6.181 -2.059 248 2HB LEU 32 HB1 LEU 32 -4.513 -6.336 -3.813 249 HG LEU 32 HG LEU 32 -6.281 -7.608 -1.669 250 1HD1 LEU 32 HD1 LEU 32 -7.969 -6.019 -2.535 251 2HD1 LEU 32 HD1 LEU 32 -6.771 -5.358 -3.675 252 3HD1 LEU 32 HD1 LEU 32 -6.544 -5.153 -1.918 253 1HD2 LEU 32 HD2 LEU 32 -6.388 -9.095 -3.525 254 2HD2 LEU 32 HD2 LEU 32 -7.748 -7.987 -3.795 255 3HD2 LEU 32 HD2 LEU 32 -6.238 -7.770 -4.698 256 H THR 33 H THR 33 -3.193 -8.697 -5.293 257 HA THR 33 HA THR 33 -0.344 -8.451 -5.217 258 HB THR 33 HB THR 33 -0.507 -8.361 -7.692 259 HG1 THR 33 HG1 THR 33 -3.308 -8.232 -7.251 260 1HG2 THR 33 HG2 THR 33 -0.707 -10.566 -6.694 261 2HG2 THR 33 HG2 THR 33 -1.858 -10.446 -8.043 262 3HG2 THR 33 HG2 THR 33 -2.439 -10.312 -6.368 263 H LEU 34 H LEU 34 0.893 -6.807 -6.555 264 HA LEU 34 HA LEU 34 0.545 -4.184 -5.565 265 1HB LEU 34 HB2 LEU 34 2.571 -5.488 -6.742 266 2HB LEU 34 HB1 LEU 34 1.926 -4.720 -8.203 267 HG LEU 34 HG LEU 34 3.634 -3.264 -7.350 268 1HD1 LEU 34 HD1 LEU 34 1.053 -2.051 -6.310 269 2HD1 LEU 34 HD1 LEU 34 1.433 -2.206 -8.044 270 3HD1 LEU 34 HD1 LEU 34 2.465 -1.213 -6.990 271 1HD2 LEU 34 HD2 LEU 34 3.714 -2.449 -5.053 272 2HD2 LEU 34 HD2 LEU 34 2.232 -3.341 -4.646 273 3HD2 LEU 34 HD2 LEU 34 3.718 -4.226 -5.056 274 H ASP 35 H ASP 35 -0.237 -5.617 -8.783 275 HA ASP 35 HA ASP 35 -1.291 -3.338 -10.023 276 1HB ASP 35 H ASP 35 -2.185 -6.236 -10.309 277 2HB ASP 35 H ASP 35 -2.446 -4.935 -11.492 278 H GLU 36 H GLU 36 -3.080 -5.868 -8.136 279 HA GLU 36 HA GLU 36 -5.650 -4.720 -8.351 280 1HB GLU 36 H GLU 36 -4.322 -6.431 -6.227 281 2HB GLU 36 H GLU 36 -6.034 -5.956 -6.138 282 1HG GLU 36 H GLU 36 -6.534 -7.045 -8.234 283 2HG GLU 36 H GLU 36 -4.815 -7.317 -8.576 284 H ILE 37 H ILE 37 -3.068 -4.169 -5.905 285 HA ILE 37 HA ILE 37 -4.538 -2.392 -4.261 286 HB ILE 37 HB ILE 37 -1.610 -2.914 -4.794 287 1HG1 ILE 37 HG1 ILE 37 -3.154 -3.008 -2.187 288 2HG1 ILE 37 HG1 ILE 37 -3.261 -4.335 -3.360 289 1HG2 ILE 37 HG2 ILE 37 -1.140 -1.319 -2.865 290 2HG2 ILE 37 HG2 ILE 37 -1.596 -0.531 -4.389 291 3HG2 ILE 37 HG2 ILE 37 -2.787 -0.689 -3.078 292 1HD1 ILE 37 HD1 ILE 37 -0.769 -4.533 -3.308 293 2HD1 ILE 37 HD1 ILE 37 -0.725 -3.281 -2.044 294 3HD1 ILE 37 HD1 ILE 37 -1.529 -4.834 -1.727 295 H LEU 38 H LEU 38 -2.396 -1.722 -7.099 296 HA LEU 38 HA LEU 38 -2.636 1.102 -6.980 297 1HB LEU 38 HB2 LEU 38 -2.234 -0.796 -9.327 298 2HB LEU 38 HB1 LEU 38 -2.161 0.958 -9.461 299 HG LEU 38 HG LEU 38 -0.321 -0.841 -7.877 300 1HD1 LEU 38 HD1 LEU 38 0.099 -0.612 -10.316 301 2HD1 LEU 38 HD1 LEU 38 1.401 0.120 -9.351 302 3HD1 LEU 38 HD1 LEU 38 0.177 1.160 -10.124 303 1HD2 LEU 38 HD2 LEU 38 -0.652 1.119 -6.470 304 2HD2 LEU 38 HD2 LEU 38 -0.489 2.200 -7.874 305 3HD2 LEU 38 HD2 LEU 38 0.918 1.286 -7.284 306 H ASP 39 H ASP 39 -4.360 -1.168 -9.181 307 HA ASP 39 HA ASP 39 -6.048 0.512 -10.479 308 1HB ASP 39 H ASP 39 -5.877 -1.933 -10.811 309 2HB ASP 39 H ASP 39 -6.805 -2.198 -9.319 310 H GLU 40 H GLU 40 -7.008 -1.069 -7.350 311 HA GLU 40 HA GLU 40 -9.494 0.249 -7.141 312 1HB GLU 40 H GLU 40 -7.599 -1.031 -5.164 313 2HB GLU 40 H GLU 40 -9.076 -0.218 -4.607 314 1HG GLU 40 H GLU 40 -10.367 -1.628 -6.298 315 2HG GLU 40 H GLU 40 -8.873 -2.555 -6.548 316 H THR 41 H THR 41 -6.227 1.340 -6.208 317 HA THR 41 HA THR 41 -7.334 3.876 -5.113 318 HB THR 41 HB THR 41 -4.436 3.280 -5.055 319 HG1 THR 41 HG1 THR 41 -5.246 1.290 -4.477 320 1HG2 THR 41 HG2 THR 41 -5.398 5.321 -4.039 321 2HG2 THR 41 HG2 THR 41 -6.456 4.309 -3.028 322 3HG2 THR 41 HG2 THR 41 -4.693 4.253 -2.802 323 H GLN 42 H GLN 42 -7.396 3.152 -8.024 324 HA GLN 42 HA GLN 42 -7.053 4.229 -10.013 325 1HB GLN 42 HB2 GLN 42 -5.778 6.530 -8.466 326 2HB GLN 42 HB1 GLN 42 -6.567 6.579 -10.055 327 1HG GLN 42 HG1 GLN 42 -8.685 5.761 -8.822 328 2HG GLN 42 HG2 GLN 42 -7.824 6.171 -7.321 329 1HE2 GLN 42 HE2 GLN 42 -6.686 8.465 -7.489 330 2HE2 GLN 42 HE2 GLN 42 -7.724 9.745 -8.075 331 H HIS 43 H HIS 43 -4.278 6.118 -9.310 332 HA HIS 43 HA HIS 43 -2.076 5.873 -9.925 333 1HB HIS 43 HB1 HIS 43 -2.429 3.190 -8.526 334 2HB HIS 43 HB2 HIS 43 -0.961 4.162 -8.616 335 HD1 HIS 43 HD1 HIS 43 -2.889 6.866 -7.876 336 HD2 HIS 43 HD2 HIS 43 -2.270 3.355 -5.689 337 HE1 HIS 43 HE1 HIS 43 -3.495 7.326 -5.441 338 H LEU 44 H LEU 44 -1.583 2.571 -9.997 339 HA LEU 44 HA LEU 44 -1.510 0.898 -11.526 340 1HB LEU 44 HB2 LEU 44 -3.768 2.341 -12.402 341 2HB LEU 44 HB1 LEU 44 -2.785 2.059 -13.856 342 HG LEU 44 HG LEU 44 -3.418 -0.126 -11.815 343 1HD1 LEU 44 HD1 LEU 44 -5.526 0.769 -12.784 344 2HD1 LEU 44 HD1 LEU 44 -4.868 0.547 -14.422 345 3HD1 LEU 44 HD1 LEU 44 -5.182 -0.868 -13.388 346 1HD2 LEU 44 HD2 LEU 44 -2.853 -1.598 -13.763 347 2HD2 LEU 44 HD2 LEU 44 -1.489 -0.567 -13.281 348 3HD2 LEU 44 HD2 LEU 44 -2.452 -0.151 -14.717 349 H ASP 45 H ASP 45 -1.177 4.059 -13.235 350 HA ASP 45 HA ASP 45 1.127 2.981 -14.715 351 1HB ASP 45 H ASP 45 -0.414 4.424 -15.925 352 2HB ASP 45 H ASP 45 -0.274 5.688 -14.684 353 H ILE 46 H ILE 46 0.400 5.842 -12.715 354 HA ILE 46 HA ILE 46 1.486 6.863 -11.021 355 HB ILE 46 HB ILE 46 3.300 4.465 -10.825 356 1HG1 ILE 46 HG1 ILE 46 0.664 4.926 -9.449 357 2HG1 ILE 46 HG1 ILE 46 0.925 3.765 -10.771 358 1HG2 ILE 46 HG2 ILE 46 2.310 6.479 -8.770 359 2HG2 ILE 46 HG2 ILE 46 3.531 5.215 -8.522 360 3HG2 ILE 46 HG2 ILE 46 3.882 6.590 -9.590 361 1HD1 ILE 46 HD1 ILE 46 1.901 3.675 -7.936 362 2HD1 ILE 46 HD1 ILE 46 2.985 3.039 -9.200 363 3HD1 ILE 46 HD1 ILE 46 1.367 2.369 -8.999 364 H GLY 47 H GLY 47 4.125 4.940 -12.365 365 1HA GLY 47 HA2 GLY 47 5.660 6.361 -13.970 366 2HA GLY 47 HA1 GLY 47 5.944 7.233 -12.433 367 H LEU 48 H LEU 48 7.282 4.864 -14.275 368 HA LEU 48 HA LEU 48 7.454 2.515 -12.885 369 1HB LEU 48 HB2 LEU 48 8.513 2.926 -15.071 370 2HB LEU 48 HB1 LEU 48 9.715 3.992 -14.311 371 HG LEU 48 HG LEU 48 10.551 2.071 -12.955 372 1HD1 LEU 48 HD1 LEU 48 9.775 -0.245 -13.709 373 2HD1 LEU 48 HD1 LEU 48 8.591 0.677 -12.756 374 3HD1 LEU 48 HD1 LEU 48 8.416 0.564 -14.524 375 1HD2 LEU 48 HD2 LEU 48 11.559 2.598 -15.161 376 2HD2 LEU 48 HD2 LEU 48 10.400 1.497 -15.946 377 3HD2 LEU 48 HD2 LEU 48 11.614 0.852 -14.816 378 H LYS 49 H LYS 49 9.352 5.491 -12.151 379 HA LYS 49 HA LYS 49 11.120 4.482 -10.255 380 1HB LYS 49 H LYS 49 11.105 6.785 -11.159 381 2HB LYS 49 H LYS 49 9.603 7.126 -10.271 382 1HG LYS 49 H LYS 49 11.040 6.323 -8.174 383 2HG LYS 49 H LYS 49 12.411 6.757 -9.220 384 1HD LYS 49 H LYS 49 10.052 8.621 -8.748 385 2HD LYS 49 H LYS 49 11.481 8.609 -7.687 386 1HE LYS 49 H LYS 49 12.944 9.137 -9.574 387 2HE LYS 49 H LYS 49 11.581 9.018 -10.709 388 1HZ LYS 49 H LYS 49 11.721 10.949 -8.500 389 2HZ LYS 49 H LYS 49 10.590 10.888 -9.702 390 3HZ LYS 49 H LYS 49 12.150 11.286 -10.059 391 H GLN 50 H GLN 50 7.789 5.767 -9.690 392 HA GLN 50 HA GLN 50 7.798 5.169 -6.880 393 1HB GLN 50 HB2 GLN 50 5.773 5.978 -8.949 394 2HB GLN 50 HB1 GLN 50 5.218 5.428 -7.352 395 1HG GLN 50 HG2 GLN 50 7.326 7.586 -7.726 396 2HG GLN 50 HG1 GLN 50 5.590 7.938 -7.577 397 1HE2 GLN 50 HE2 GLN 50 4.527 6.622 -5.647 398 2HE2 GLN 50 HE2 GLN 50 5.410 6.676 -4.139 399 H LYS 51 H LYS 51 5.879 3.657 -9.571 400 HA LYS 51 HA LYS 51 4.767 1.529 -8.267 401 1HB LYS 51 H LYS 51 4.547 2.165 -10.692 402 2HB LYS 51 H LYS 51 6.109 1.372 -10.999 403 1HG LYS 51 H LYS 51 5.228 -0.744 -10.770 404 2HG LYS 51 H LYS 51 4.094 -0.246 -9.493 405 1HD LYS 51 H LYS 51 2.865 -0.861 -11.541 406 2HD LYS 51 H LYS 51 2.666 0.872 -11.190 407 1HE LYS 51 H LYS 51 4.409 1.429 -12.843 408 2HE LYS 51 H LYS 51 4.679 -0.299 -13.164 409 1HZ LYS 51 H LYS 51 2.108 1.073 -13.569 410 2HZ LYS 51 H LYS 51 2.504 -0.466 -14.024 411 3HZ LYS 51 H LYS 51 3.225 0.822 -14.762 412 H GLN 52 H GLN 52 8.162 1.701 -9.466 413 HA GLN 52 HA GLN 52 8.827 -0.984 -8.677 414 1HB GLN 52 HB2 GLN 52 10.056 0.310 -10.401 415 2HB GLN 52 HB1 GLN 52 10.610 1.445 -9.148 416 1HG GLN 52 HG2 GLN 52 11.806 -0.348 -7.993 417 2HG GLN 52 HG1 GLN 52 11.147 -1.556 -9.116 418 1HE2 GLN 52 HE2 GLN 52 12.929 1.590 -9.217 419 2HE2 GLN 52 HE2 GLN 52 14.033 1.114 -10.488 420 H TRP 53 H TRP 53 9.556 2.253 -7.204 421 HA TRP 53 HA TRP 53 10.916 1.373 -4.924 422 1HB TRP 53 HB1 TRP 53 10.850 3.691 -5.431 423 2HB TRP 53 HB2 TRP 53 9.083 3.723 -5.440 424 HD1 TRP 53 HD1 TRP 53 11.895 3.066 -2.868 425 HE1 TRP 53 HE1 TRP 53 11.219 4.045 -0.585 426 HE3 TRP 53 HE3 TRP 53 7.203 4.752 -4.055 427 HZ2 TRP 53 HZ2 TRP 53 8.957 5.359 0.556 428 HZ3 TRP 53 HZ3 TRP 53 5.803 5.822 -2.320 429 HH2 TRP 53 HH2 TRP 53 6.669 6.126 -0.015 430 H LEU 54 H LEU 54 7.367 1.733 -5.396 431 HA LEU 54 HA LEU 54 6.578 1.159 -2.765 432 1HB LEU 54 HB2 LEU 54 5.243 0.620 -5.442 433 2HB LEU 54 HB1 LEU 54 4.428 0.390 -3.880 434 HG LEU 54 HG LEU 54 5.734 3.032 -4.655 435 1HD1 LEU 54 HD1 LEU 54 3.466 3.796 -5.302 436 2HD1 LEU 54 HD1 LEU 54 2.844 2.147 -5.055 437 3HD1 LEU 54 HD1 LEU 54 4.024 2.471 -6.345 438 1HD2 LEU 54 HD2 LEU 54 5.298 2.856 -2.290 439 2HD2 LEU 54 HD2 LEU 54 4.002 3.859 -2.973 440 3HD2 LEU 54 HD2 LEU 54 3.689 2.153 -2.573 441 H MET 55 H MET 55 7.208 -1.025 -5.526 442 HA MET 55 HA MET 55 6.411 -3.394 -4.088 443 1HB MET 55 HB2 MET 55 6.322 -2.993 -6.589 444 2HB MET 55 HB1 MET 55 8.091 -3.153 -6.616 445 1HG MET 55 HG1 MET 55 7.806 -5.412 -5.504 446 2HG MET 55 HG2 MET 55 6.061 -5.242 -5.740 447 1HE MET 55 HE1 MET 55 4.840 -5.279 -7.994 448 2HE MET 55 HE2 MET 55 5.795 -3.903 -8.595 449 3HE MET 55 HE3 MET 55 5.628 -5.370 -9.586 450 H THR 56 H THR 56 9.588 -1.791 -4.704 451 HA THR 56 HA THR 56 10.914 -4.140 -3.428 452 HB THR 56 HB THR 56 11.476 -3.294 -5.803 453 HG1 THR 56 HG1 THR 56 13.715 -3.687 -5.358 454 1HG2 THR 56 HG2 THR 56 11.595 -0.851 -4.975 455 2HG2 THR 56 HG2 THR 56 13.164 -1.285 -4.262 456 3HG2 THR 56 HG2 THR 56 12.921 -1.407 -6.019 457 H GLU 57 H GLU 57 9.711 -1.284 -2.244 458 HA GLU 57 HA GLU 57 11.803 -1.233 -0.176 459 1HB GLU 57 H GLU 57 12.754 0.289 -1.787 460 2HB GLU 57 H GLU 57 11.212 1.141 -1.959 461 1HG GLU 57 H GLU 57 12.817 2.370 -0.501 462 2HG GLU 57 H GLU 57 11.332 1.925 0.362 463 H ALA 58 H ALA 58 9.130 0.945 -1.273 464 HA ALA 58 HA ALA 58 8.427 1.798 1.283 465 1HB ALA 58 HB1 ALA 58 6.238 1.484 -0.728 466 2HB ALA 58 HB2 ALA 58 7.645 2.469 -1.183 467 3HB ALA 58 HB3 ALA 58 6.694 2.885 0.258 468 H LEU 59 H LEU 59 6.500 -0.653 -0.594 469 HA LEU 59 HA LEU 59 4.847 -1.245 1.655 470 1HB LEU 59 HB2 LEU 59 5.371 -2.875 -0.857 471 2HB LEU 59 HB1 LEU 59 4.014 -3.098 0.268 472 HG LEU 59 HG LEU 59 4.571 -0.549 -1.325 473 1HD1 LEU 59 HD1 LEU 59 2.613 -1.203 -2.644 474 2HD1 LEU 59 HD1 LEU 59 3.833 -2.496 -2.702 475 3HD1 LEU 59 HD1 LEU 59 2.405 -2.669 -1.654 476 1HD2 LEU 59 HD2 LEU 59 2.339 -1.373 0.577 477 2HD2 LEU 59 HD2 LEU 59 3.430 0.025 0.725 478 3HD2 LEU 59 HD2 LEU 59 2.204 -0.011 -0.557 479 H VAL 60 H VAL 60 7.626 -3.058 0.225 480 HA VAL 60 HA VAL 60 7.456 -5.294 1.920 481 HB VAL 60 HB VAL 60 9.911 -5.586 1.418 482 1HG1 VAL 60 HG1 VAL 60 8.073 -4.878 -0.908 483 2HG1 VAL 60 HG1 VAL 60 8.163 -6.450 -0.084 484 3HG1 VAL 60 HG1 VAL 60 9.551 -5.859 -1.026 485 1HG2 VAL 60 HG2 VAL 60 10.951 -4.020 -0.183 486 2HG2 VAL 60 HG2 VAL 60 9.523 -2.968 -0.095 487 3HG2 VAL 60 HG2 VAL 60 10.551 -3.197 1.338 488 H ASN 61 H ASN 61 8.914 -2.076 2.537 489 HA ASN 61 HA ASN 61 9.649 -3.037 5.275 490 1HB ASN 61 HB1 ASN 61 10.639 -0.624 3.702 491 2HB ASN 61 HB2 ASN 61 11.177 -1.104 5.324 492 1HD2 ASN 61 HD2 ASN 61 12.624 -0.872 2.651 493 2HD2 ASN 61 HD2 ASN 61 13.400 -2.432 2.442 494 H ASN 62 H ASN 62 6.893 -2.410 4.533 495 HA ASN 62 HA ASN 62 6.429 0.242 5.756 496 1HB ASN 62 HB2 ASN 62 5.224 -0.580 3.683 497 2HB ASN 62 HB1 ASN 62 4.402 -1.751 4.722 498 1HD2 ASN 62 HD2 ASN 62 4.646 1.590 3.722 499 2HD2 ASN 62 HD2 ASN 62 3.299 2.200 4.657 500 HA PRO 63 HA PRO 63 5.972 -1.803 9.684 501 1HB PRO 63 HB2 PRO 63 4.637 0.399 10.918 502 2HB PRO 63 HB1 PRO 63 6.380 0.015 10.976 503 1HG PRO 63 HG1 PRO 63 5.004 2.128 9.470 504 2HG PRO 63 HG2 PRO 63 6.754 1.897 9.737 505 1HD PRO 63 HD1 PRO 63 5.278 1.397 7.334 506 2HD PRO 63 HD2 PRO 63 6.998 1.018 7.654 507 H LYS 64 H LYS 64 3.301 -0.391 7.831 508 HA LYS 64 HA LYS 64 1.351 -1.903 9.509 509 1HB LYS 64 H LYS 64 0.891 0.476 7.682 510 2HB LYS 64 H LYS 64 -0.324 -0.322 8.710 511 1HG LYS 64 H LYS 64 1.369 0.149 10.662 512 2HG LYS 64 H LYS 64 2.082 1.333 9.543 513 1HD LYS 64 H LYS 64 -0.827 1.251 10.473 514 2HD LYS 64 H LYS 64 0.414 2.416 10.998 515 1HE LYS 64 H LYS 64 0.682 3.045 8.531 516 2HE LYS 64 H LYS 64 -0.781 2.086 8.222 517 1HZ LYS 64 H LYS 64 -0.599 4.379 10.048 518 2HZ LYS 64 H LYS 64 -1.957 3.493 9.744 519 3HZ LYS 64 H LYS 64 -1.276 4.397 8.544 520 H ILE 65 H ILE 65 3.091 -2.435 6.759 521 HA ILE 65 HA ILE 65 0.910 -4.116 5.656 522 HB ILE 65 HB ILE 65 2.414 -1.960 4.165 523 1HG1 ILE 65 HG1 ILE 65 -0.412 -3.052 3.857 524 2HG1 ILE 65 HG1 ILE 65 0.013 -1.726 4.960 525 1HG2 ILE 65 HG2 ILE 65 1.382 -4.580 2.988 526 2HG2 ILE 65 HG2 ILE 65 3.060 -3.986 2.957 527 3HG2 ILE 65 HG2 ILE 65 1.809 -3.150 2.024 528 1HD1 ILE 65 HD1 ILE 65 -0.746 -0.686 2.951 529 2HD1 ILE 65 HD1 ILE 65 0.223 -1.767 1.930 530 3HD1 ILE 65 HD1 ILE 65 1.026 -0.534 2.933 531 H GLU 66 H GLU 66 1.592 -6.148 5.307 532 HA GLU 66 HA GLU 66 4.535 -6.611 5.073 533 1HB GLU 66 H GLU 66 4.216 -8.687 6.352 534 2HB GLU 66 H GLU 66 3.703 -7.276 7.302 535 1HG GLU 66 H GLU 66 1.328 -7.726 6.591 536 2HG GLU 66 H GLU 66 1.890 -9.203 5.782 537 H VAL 67 H VAL 67 4.960 -8.860 4.092 538 HA VAL 67 HA VAL 67 3.268 -9.050 1.664 539 HB VAL 67 HB VAL 67 6.023 -10.219 2.241 540 1HG1 VAL 67 HG1 VAL 67 4.456 -9.782 -0.344 541 2HG1 VAL 67 HG1 VAL 67 4.776 -11.354 0.424 542 3HG1 VAL 67 HG1 VAL 67 6.120 -10.397 -0.237 543 1HG2 VAL 67 HG2 VAL 67 5.124 -7.613 0.953 544 2HG2 VAL 67 HG2 VAL 67 6.204 -7.816 2.350 545 3HG2 VAL 67 HG2 VAL 67 6.750 -8.297 0.728 546 H ILE 68 H ILE 68 2.032 -10.777 1.229 547 HA ILE 68 HA ILE 68 2.493 -13.320 2.693 548 HB ILE 68 HB ILE 68 -0.198 -11.895 2.453 549 1HG1 ILE 68 HG1 ILE 68 1.599 -12.437 4.865 550 2HG1 ILE 68 HG1 ILE 68 1.215 -10.847 4.169 551 1HG2 ILE 68 HG2 ILE 68 -1.075 -13.789 3.734 552 2HG2 ILE 68 HG2 ILE 68 -0.260 -14.408 2.284 553 3HG2 ILE 68 HG2 ILE 68 0.552 -14.497 3.865 554 1HD1 ILE 68 HD1 ILE 68 -1.255 -11.407 4.619 555 2HD1 ILE 68 HD1 ILE 68 -0.653 -12.750 5.622 556 3HD1 ILE 68 HD1 ILE 68 -0.239 -11.073 6.041 557 H ASP 69 H ASP 69 2.659 -14.896 1.192 558 HA ASP 69 HA ASP 69 2.467 -16.049 -0.776 559 1HB ASP 69 H ASP 69 0.085 -16.119 -0.026 560 2HB ASP 69 H ASP 69 -0.234 -14.639 -0.951 561 H GLY 70 H GLY 70 3.722 -13.341 -0.777 562 1HA GLY 70 HA2 GLY 70 4.836 -12.211 -2.500 563 2HA GLY 70 HA1 GLY 70 3.743 -12.946 -3.694 564 H LYS 71 H LYS 71 1.263 -12.235 -2.343 565 HA LYS 71 HA LYS 71 0.907 -9.555 -3.349 566 1HB LYS 71 H LYS 71 -0.808 -11.503 -1.773 567 2HB LYS 71 H LYS 71 -1.362 -9.866 -2.128 568 1HG LYS 71 H LYS 71 -2.230 -11.361 -3.822 569 2HG LYS 71 H LYS 71 -0.988 -10.338 -4.558 570 1HD LYS 71 H LYS 71 0.526 -12.066 -4.792 571 2HD LYS 71 H LYS 71 -0.129 -12.964 -3.402 572 1HE LYS 71 H LYS 71 -1.841 -12.588 -5.855 573 2HE LYS 71 H LYS 71 -0.573 -13.832 -5.852 574 1HZ LYS 71 H LYS 71 -2.680 -14.680 -5.103 575 2HZ LYS 71 H LYS 71 -1.550 -14.772 -3.900 576 3HZ LYS 71 H LYS 71 -2.716 -13.600 -3.857 577 H TYR 72 H TYR 72 -0.132 -7.823 -1.859 578 HA TYR 72 HA TYR 72 1.477 -7.705 0.659 579 1HB TYR 72 HB2 TYR 72 0.377 -5.527 -1.137 580 2HB TYR 72 HB1 TYR 72 1.177 -5.237 0.413 581 HD1 TYR 72 HD1 TYR 72 3.580 -5.496 0.659 582 HD2 TYR 72 HD2 TYR 72 1.641 -6.386 -3.085 583 HE1 TYR 72 HE1 TYR 72 5.788 -5.566 -0.472 584 HE2 TYR 72 HE2 TYR 72 3.853 -6.463 -4.210 585 HH TYR 72 HH TYR 72 6.128 -6.357 -3.940 586 H ALA 73 H ALA 73 0.482 -7.191 2.595 587 HA ALA 73 HA ALA 73 -2.482 -6.880 2.563 588 1HB ALA 73 HB1 ALA 73 -2.577 -8.567 4.409 589 2HB ALA 73 HB2 ALA 73 -2.024 -9.263 2.872 590 3HB ALA 73 HB3 ALA 73 -0.845 -8.901 4.152 591 H PHE 74 H PHE 74 -3.245 -5.485 4.087 592 HA PHE 74 HA PHE 74 -1.379 -3.903 5.623 593 1HB PHE 74 HB2 PHE 74 -3.278 -2.750 4.902 594 2HB PHE 74 HB1 PHE 74 -4.371 -4.078 5.317 595 HD1 PHE 74 HD1 PHE 74 -5.074 -4.447 7.642 596 HD2 PHE 74 HD2 PHE 74 -2.618 -1.090 6.562 597 HE1 PHE 74 HE1 PHE 74 -5.665 -3.343 9.778 598 HE2 PHE 74 HE2 PHE 74 -3.198 0.018 8.711 599 HZ PHE 74 HZ PHE 74 -4.737 -1.109 10.310 600 H LYS 75 H LYS 75 -0.588 -4.327 7.610 601 HA LYS 75 HA LYS 75 -1.355 -6.809 8.903 602 1HB LYS 75 H LYS 75 0.996 -5.799 8.658 603 2HB LYS 75 H LYS 75 0.539 -4.698 9.979 604 1HG LYS 75 H LYS 75 0.291 -6.478 11.530 605 2HG LYS 75 H LYS 75 0.153 -7.697 10.240 606 1HD LYS 75 H LYS 75 2.549 -7.138 9.591 607 2HD LYS 75 H LYS 75 2.654 -6.177 11.085 608 1HE LYS 75 H LYS 75 2.480 -8.064 12.464 609 2HE LYS 75 H LYS 75 1.645 -9.023 11.223 610 1HZ LYS 75 H LYS 75 3.905 -9.726 11.556 611 2HZ LYS 75 H LYS 75 4.471 -8.239 11.125 612 3HZ LYS 75 H LYS 75 3.676 -9.173 10.014 613 HA PRO 76 HA PRO 76 -4.450 -4.738 11.396 614 1HB PRO 76 HB2 PRO 76 -4.863 -6.999 13.074 615 2HB PRO 76 HB1 PRO 76 -5.814 -6.541 11.634 616 1HG PRO 76 HG1 PRO 76 -3.858 -8.712 11.948 617 2HG PRO 76 HG2 PRO 76 -5.004 -8.418 10.611 618 1HD PRO 76 HD2 PRO 76 -2.173 -7.972 10.613 619 2HD PRO 76 HD1 PRO 76 -3.341 -7.540 9.329 620 H LYS 77 H LYS 77 -4.762 -4.211 13.716 621 HA LYS 77 HA LYS 77 -2.665 -4.877 15.618 622 1HB LYS 77 H LYS 77 -1.645 -3.076 14.103 623 2HB LYS 77 H LYS 77 -2.896 -1.973 14.720 624 1HG LYS 77 H LYS 77 -1.903 -3.075 17.061 625 2HG LYS 77 H LYS 77 -0.447 -3.013 16.042 626 1HD LYS 77 H LYS 77 -0.895 -0.611 15.569 627 2HD LYS 77 H LYS 77 -2.340 -0.684 16.609 628 1HE LYS 77 H LYS 77 -0.897 -1.350 18.530 629 2HE LYS 77 H LYS 77 0.536 -1.214 17.487 630 1HZ LYS 77 H LYS 77 0.198 0.754 18.780 631 2HZ LYS 77 H LYS 77 0.003 1.099 17.179 632 3HZ LYS 77 H LYS 77 -1.316 0.967 18.162 633 H TYR 78 H TYR 78 -5.275 -5.477 15.831 634 HA TYR 78 HA TYR 78 -6.266 -3.556 17.873 635 1HB TYR 78 HB1 TYR 78 -8.063 -4.824 15.779 636 2HB TYR 78 HB2 TYR 78 -8.476 -3.561 16.952 637 HD1 TYR 78 HD1 TYR 78 -7.135 -4.300 13.656 638 HD2 TYR 78 HD2 TYR 78 -7.457 -1.246 16.677 639 HE1 TYR 78 HE1 TYR 78 -6.538 -2.574 11.976 640 HE2 TYR 78 HE2 TYR 78 -6.862 0.481 14.992 641 HH TYR 78 HH TYR 78 -5.955 -0.367 11.652 642 H ASN 79 H ASN 79 -5.473 -5.095 19.411 643 HA ASN 79 HA ASN 79 -5.426 -7.057 20.625 644 1HB ASN 79 HB2 ASN 79 -7.689 -7.667 21.507 645 2HB ASN 79 HB1 ASN 79 -7.325 -5.934 21.593 646 1HD2 ASN 79 HD2 ASN 79 -9.075 -8.417 19.676 647 2HD2 ASN 79 HD2 ASN 79 -10.331 -7.332 19.112 648 H VAL 80 H VAL 80 -4.859 -7.677 18.014 649 HA VAL 80 HA VAL 80 -4.640 -9.442 16.617 650 HB VAL 80 HB VAL 80 -5.309 -10.605 19.115 651 1HG1 VAL 80 HG1 VAL 80 -6.490 -12.669 18.441 652 2HG1 VAL 80 HG1 VAL 80 -7.523 -11.252 18.168 653 3HG1 VAL 80 HG1 VAL 80 -6.699 -12.031 16.796 654 1HG2 VAL 80 HG2 VAL 80 -3.264 -10.965 17.786 655 2HG2 VAL 80 HG2 VAL 80 -4.209 -11.836 16.555 656 3HG2 VAL 80 HG2 VAL 80 -4.039 -12.514 18.191 657 H ARG 81 H ARG 81 -5.619 -9.969 14.719 658 HA ARG 81 HA ARG 81 -7.216 -10.026 13.087 659 1HB ARG 81 H ARG 81 -8.421 -11.275 15.317 660 2HB ARG 81 H ARG 81 -9.639 -10.124 14.740 661 1HG ARG 81 H ARG 81 -8.174 -12.158 12.986 662 2HG ARG 81 H ARG 81 -9.802 -12.389 13.657 663 1HD ARG 81 H ARG 81 -8.918 -10.239 11.685 664 2HD ARG 81 H ARG 81 -10.005 -11.600 11.357 665 HE ARG 81 H ARG 81 -10.641 -9.076 12.708 666 1HH1 ARG 81 H ARG 81 -11.576 -12.478 12.307 667 2HH1 ARG 81 H ARG 81 -13.268 -12.189 12.630 668 1HH2 ARG 81 H ARG 81 -12.874 -8.708 13.112 669 2HH2 ARG 81 H ARG 81 -14.007 -10.039 13.099 Start of MODEL 15 1 1H ALA 1 H1 ALA 1 12.384 11.632 -4.226 2 2H ALA 1 H2 ALA 1 12.127 13.212 -3.820 3 3H ALA 1 H3 ALA 1 13.629 12.713 -4.291 4 HA ALA 1 HA ALA 1 12.206 12.011 -1.828 5 1HB ALA 1 HB1 ALA 1 14.201 10.663 -1.256 6 2HB ALA 1 HB2 ALA 1 13.379 10.033 -2.704 7 3HB ALA 1 HB3 ALA 1 14.877 10.980 -2.872 8 H LEU 2 H LEU 2 12.284 13.886 -0.681 9 HA LEU 2 HA LEU 2 13.087 15.821 0.246 10 1HB LEU 2 HB2 LEU 2 14.670 13.813 1.082 11 2HB LEU 2 HB1 LEU 2 15.904 14.760 0.227 12 HG LEU 2 HG LEU 2 14.007 15.875 2.351 13 1HD1 LEU 2 HD1 LEU 2 16.955 15.106 2.523 14 2HD1 LEU 2 HD1 LEU 2 15.605 14.239 3.296 15 3HD1 LEU 2 HD1 LEU 2 16.009 15.894 3.810 16 1HD2 LEU 2 HD2 LEU 2 14.753 17.611 0.803 17 2HD2 LEU 2 HD2 LEU 2 16.436 17.043 0.919 18 3HD2 LEU 2 HD2 LEU 2 15.647 17.787 2.328 19 H SER 3 H SER 3 12.576 16.508 -2.118 20 HA SER 3 HA SER 3 14.822 18.154 -3.053 21 1HB SER 3 HB1 SER 3 13.507 15.995 -4.762 22 2HB SER 3 HB2 SER 3 14.478 17.330 -5.426 23 HG SER 3 HG SER 3 15.553 15.782 -3.347 24 H GLY 4 H GLY 4 13.221 19.670 -2.076 25 1HA GLY 4 HA2 GLY 4 11.582 21.262 -2.296 26 2HA GLY 4 HA1 GLY 4 11.674 20.984 -4.049 27 H SER 5 H SER 5 9.741 20.454 -4.913 28 HA SER 5 HA SER 5 7.586 19.407 -3.256 29 1HB SER 5 HB2 SER 5 6.415 19.420 -5.559 30 2HB SER 5 HB1 SER 5 6.953 20.988 -4.913 31 HG SER 5 HG SER 5 7.544 20.601 -7.134 32 H SER 6 H SER 6 9.084 17.479 -2.702 33 HA SER 6 HA SER 6 9.264 15.420 -4.787 34 1HB SER 6 HB1 SER 6 11.082 15.801 -3.148 35 2HB SER 6 HB2 SER 6 9.973 15.376 -1.823 36 HG SER 6 HG SER 6 9.701 13.327 -2.916 37 H GLY 7 H GLY 7 6.553 16.390 -3.888 38 1HA GLY 7 HA1 GLY 7 5.446 14.207 -2.285 39 2HA GLY 7 HA2 GLY 7 4.570 15.584 -2.987 40 H TYR 8 H TYR 8 6.499 12.756 -4.177 41 HA TYR 8 HA TYR 8 4.220 12.096 -5.992 42 1HB TYR 8 HB2 TYR 8 5.783 11.581 -7.781 43 2HB TYR 8 HB1 TYR 8 5.993 13.262 -7.271 44 HD1 TYR 8 HD1 TYR 8 7.568 9.955 -7.532 45 HD2 TYR 8 HD2 TYR 8 7.995 13.938 -5.959 46 HE1 TYR 8 HE1 TYR 8 9.990 9.553 -7.174 47 HE2 TYR 8 HE2 TYR 8 10.420 13.535 -5.605 48 HH TYR 8 HH TYR 8 12.016 10.508 -6.605 49 H LYS 9 H LYS 9 5.229 11.115 -3.295 50 HA LYS 9 HA LYS 9 5.125 8.268 -3.952 51 1HB LYS 9 H LYS 9 7.251 8.128 -2.263 52 2HB LYS 9 H LYS 9 7.392 8.095 -4.032 53 1HG LYS 9 H LYS 9 7.945 10.435 -4.115 54 2HG LYS 9 H LYS 9 7.488 10.671 -2.413 55 1HD LYS 9 H LYS 9 9.937 10.573 -2.642 56 2HD LYS 9 H LYS 9 9.346 9.185 -1.705 57 1HE LYS 9 H LYS 9 9.581 8.833 -4.678 58 2HE LYS 9 H LYS 9 11.092 8.925 -3.754 59 1HZ LYS 9 H LYS 9 8.889 7.070 -3.192 60 2HZ LYS 9 H LYS 9 10.332 7.139 -2.398 61 3HZ LYS 9 H LYS 9 10.282 6.683 -3.982 62 H PHE 10 H PHE 10 5.686 10.734 -1.395 63 HA PHE 10 HA PHE 10 4.890 9.133 0.791 64 1HB PHE 10 HB2 PHE 10 4.388 12.109 0.625 65 2HB PHE 10 HB1 PHE 10 4.877 11.140 2.024 66 HD1 PHE 10 HD1 PHE 10 6.070 13.695 0.260 67 HD2 PHE 10 HD2 PHE 10 7.175 9.600 1.024 68 HE1 PHE 10 HE1 PHE 10 8.444 14.244 -0.212 69 HE2 PHE 10 HE2 PHE 10 9.545 10.153 0.543 70 HZ PHE 10 HZ PHE 10 10.182 12.475 -0.072 71 H GLY 11 H GLY 11 2.961 11.425 -1.229 72 1HA GLY 11 HA2 GLY 11 0.515 11.153 0.155 73 2HA GLY 11 HA1 GLY 11 0.697 11.612 -1.552 74 H VAL 12 H VAL 12 1.741 9.377 -2.742 75 HA VAL 12 HA VAL 12 -0.533 7.730 -3.094 76 HB VAL 12 HB VAL 12 2.397 7.501 -3.853 77 1HG1 VAL 12 HG1 VAL 12 1.799 5.205 -3.672 78 2HG1 VAL 12 HG1 VAL 12 1.530 5.602 -5.384 79 3HG1 VAL 12 HG1 VAL 12 0.151 5.503 -4.268 80 1HG2 VAL 12 HG2 VAL 12 0.938 9.167 -5.001 81 2HG2 VAL 12 HG2 VAL 12 1.476 7.884 -6.108 82 3HG2 VAL 12 HG2 VAL 12 -0.180 7.857 -5.454 83 H LEU 13 H LEU 13 2.543 7.103 -1.299 84 HA LEU 13 HA LEU 13 1.906 4.483 -0.470 85 1HB LEU 13 HB2 LEU 13 4.149 5.452 -0.337 86 2HB LEU 13 HB1 LEU 13 3.596 6.638 0.865 87 HG LEU 13 HG LEU 13 3.062 4.789 2.442 88 1HD1 LEU 13 HD1 LEU 13 2.531 2.962 0.958 89 2HD1 LEU 13 HD1 LEU 13 4.114 3.074 0.152 90 3HD1 LEU 13 HD1 LEU 13 4.007 2.491 1.829 91 1HD2 LEU 13 HD2 LEU 13 5.417 4.092 2.872 92 2HD2 LEU 13 HD2 LEU 13 5.289 5.830 2.510 93 3HD2 LEU 13 HD2 LEU 13 5.873 4.703 1.263 94 H ALA 14 H ALA 14 1.288 7.651 1.143 95 HA ALA 14 HA ALA 14 0.119 6.574 3.507 96 1HB ALA 14 HB1 ALA 14 -0.372 9.233 2.094 97 2HB ALA 14 HB2 ALA 14 -0.807 8.855 3.778 98 3HB ALA 14 HB3 ALA 14 0.904 8.902 3.291 99 H LYS 15 H LYS 15 -1.305 7.508 0.323 100 HA LYS 15 HA LYS 15 -4.020 7.152 1.102 101 1HB LYS 15 H LYS 15 -3.382 8.382 -0.911 102 2HB LYS 15 H LYS 15 -2.639 6.925 -1.607 103 1HG LYS 15 H LYS 15 -4.765 5.817 -1.794 104 2HG LYS 15 H LYS 15 -5.574 7.054 -0.805 105 1HD LYS 15 H LYS 15 -4.141 7.921 -3.310 106 2HD LYS 15 H LYS 15 -5.709 7.101 -3.482 107 1HE LYS 15 H LYS 15 -5.289 9.473 -1.618 108 2HE LYS 15 H LYS 15 -5.774 9.663 -3.316 109 1HZ LYS 15 H LYS 15 -7.243 8.152 -1.269 110 2HZ LYS 15 H LYS 15 -7.684 8.298 -2.851 111 3HZ LYS 15 H LYS 15 -7.660 9.627 -1.874 112 H ILE 16 H ILE 16 -1.591 4.968 -0.397 113 HA ILE 16 HA ILE 16 -3.277 2.729 -0.716 114 HB ILE 16 HB ILE 16 -0.287 3.049 -0.319 115 1HG1 ILE 16 HG1 ILE 16 -1.825 2.109 -2.773 116 2HG1 ILE 16 HG1 ILE 16 -1.571 3.839 -2.447 117 1HG2 ILE 16 HG2 ILE 16 -1.912 0.519 -0.832 118 2HG2 ILE 16 HG2 ILE 16 -0.803 0.832 0.523 119 3HG2 ILE 16 HG2 ILE 16 -0.161 0.641 -1.121 120 1HD1 ILE 16 HD1 ILE 16 0.585 1.708 -2.813 121 2HD1 ILE 16 HD1 ILE 16 0.905 3.385 -2.317 122 3HD1 ILE 16 HD1 ILE 16 0.204 3.047 -3.916 123 H VAL 17 H VAL 17 -1.153 3.665 2.036 124 HA VAL 17 HA VAL 17 -1.659 1.406 3.649 125 HB VAL 17 HB VAL 17 -0.788 4.256 4.123 126 1HG1 VAL 17 HG1 VAL 17 -0.441 3.629 6.554 127 2HG1 VAL 17 HG1 VAL 17 -2.139 3.878 6.095 128 3HG1 VAL 17 HG1 VAL 17 -1.500 2.226 6.281 129 1HG2 VAL 17 HG2 VAL 17 1.264 3.157 4.823 130 2HG2 VAL 17 HG2 VAL 17 0.746 2.431 3.283 131 3HG2 VAL 17 HG2 VAL 17 0.470 1.564 4.816 132 H ASN 18 H ASN 18 -3.494 4.503 3.345 133 HA ASN 18 HA ASN 18 -5.292 3.829 5.505 134 1HB ASN 18 HB1 ASN 18 -4.699 6.152 4.672 135 2HB ASN 18 HB2 ASN 18 -5.757 5.836 3.279 136 1HD2 ASN 18 HD2 ASN 18 -7.929 6.196 3.507 137 2HD2 ASN 18 HD2 ASN 18 -8.737 6.499 5.029 138 H TYR 19 H TYR 19 -5.483 3.618 1.921 139 HA TYR 19 HA TYR 19 -8.211 2.808 1.810 140 1HB TYR 19 HB2 TYR 19 -7.661 3.231 -0.327 141 2HB TYR 19 HB1 TYR 19 -5.936 3.082 0.012 142 HD1 TYR 19 HD1 TYR 19 -8.985 1.174 -0.927 143 HD2 TYR 19 HD2 TYR 19 -4.704 1.132 -0.579 144 HE1 TYR 19 HE1 TYR 19 -8.884 -0.948 -2.195 145 HE2 TYR 19 HE2 TYR 19 -4.617 -0.993 -1.841 146 HH TYR 19 HH TYR 19 -7.559 -2.572 -3.118 147 H MET 20 H MET 20 -5.145 0.892 1.884 148 HA MET 20 HA MET 20 -6.309 -1.672 1.785 149 1HB MET 20 HB2 MET 20 -3.770 -0.551 3.021 150 2HB MET 20 HB1 MET 20 -4.193 -2.262 3.201 151 1HG MET 20 HG2 MET 20 -4.004 -0.828 0.540 152 2HG MET 20 HG1 MET 20 -2.691 -1.770 1.247 153 1HE MET 20 HE1 MET 20 -2.553 -4.272 1.428 154 2HE MET 20 HE2 MET 20 -3.861 -5.419 1.057 155 3HE MET 20 HE3 MET 20 -3.994 -4.347 2.468 156 H LYS 21 H LYS 21 -5.511 0.410 4.615 157 HA LYS 21 HA LYS 21 -6.296 -1.303 6.673 158 1HB LYS 21 H LYS 21 -5.204 0.761 7.194 159 2HB LYS 21 H LYS 21 -6.432 1.705 6.342 160 1HG LYS 21 H LYS 21 -8.126 1.113 8.019 161 2HG LYS 21 H LYS 21 -6.973 0.036 8.839 162 1HD LYS 21 H LYS 21 -7.291 2.357 9.872 163 2HD LYS 21 H LYS 21 -5.610 1.884 9.534 164 1HE LYS 21 H LYS 21 -5.458 3.283 7.652 165 2HE LYS 21 H LYS 21 -7.222 3.393 7.467 166 1HZ LYS 21 H LYS 21 -7.267 4.679 9.494 167 2HZ LYS 21 H LYS 21 -6.350 5.404 8.328 168 3HZ LYS 21 H LYS 21 -5.622 4.628 9.593 169 H THR 22 H THR 22 -8.348 1.273 5.182 170 HA THR 22 HA THR 22 -10.707 0.623 6.556 171 HB THR 22 HB THR 22 -10.325 1.798 3.756 172 HG1 THR 22 HG1 THR 22 -10.659 2.995 6.314 173 1HG2 THR 22 HG2 THR 22 -12.649 1.100 4.045 174 2HG2 THR 22 HG2 THR 22 -12.561 2.867 4.249 175 3HG2 THR 22 HG2 THR 22 -12.701 1.813 5.676 176 H ARG 23 H ARG 23 -9.711 -0.539 3.236 177 HA ARG 23 HA ARG 23 -12.081 -2.086 2.854 178 1HB ARG 23 H ARG 23 -9.283 -2.316 1.675 179 2HB ARG 23 H ARG 23 -10.674 -3.276 1.130 180 1HG ARG 23 H ARG 23 -11.827 -0.840 1.031 181 2HG ARG 23 H ARG 23 -10.135 -0.348 0.795 182 1HD ARG 23 H ARG 23 -10.864 -0.750 -1.398 183 2HD ARG 23 H ARG 23 -10.063 -2.274 -0.963 184 HE ARG 23 H ARG 23 -13.026 -1.891 -0.744 185 1HH1 ARG 23 H ARG 23 -10.333 -3.565 -2.386 186 2HH1 ARG 23 H ARG 23 -11.124 -5.135 -2.287 187 1HH2 ARG 23 H ARG 23 -14.253 -3.730 -1.388 188 2HH2 ARG 23 H ARG 23 -13.445 -5.142 -2.036 189 H HIS 24 H HIS 24 -8.914 -2.878 4.339 190 HA HIS 24 HA HIS 24 -9.453 -5.656 4.777 191 1HB HIS 24 HB1 HIS 24 -7.201 -4.929 4.951 192 2HB HIS 24 HB2 HIS 24 -7.628 -3.587 6.021 193 HD1 HIS 24 HD1 HIS 24 -6.399 -7.062 6.076 194 HD2 HIS 24 HD2 HIS 24 -8.346 -4.476 8.719 195 HE1 HIS 24 HE1 HIS 24 -6.135 -8.011 8.420 196 H GLN 25 H GLN 25 -10.161 -2.660 6.524 197 HA GLN 25 HA GLN 25 -11.406 -4.003 8.803 198 1HB GLN 25 HB2 GLN 25 -10.118 -1.730 8.713 199 2HB GLN 25 HB1 GLN 25 -11.616 -1.071 8.021 200 1HG GLN 25 HG2 GLN 25 -12.744 -2.261 10.098 201 2HG GLN 25 HG1 GLN 25 -11.101 -2.198 10.760 202 1HE2 GLN 25 HE2 GLN 25 -10.042 0.146 10.056 203 2HE2 GLN 25 HE2 GLN 25 -11.012 1.493 10.613 204 H ARG 26 H ARG 26 -12.533 -4.916 6.382 205 HA ARG 26 HA ARG 26 -15.312 -4.088 6.707 206 1HB ARG 26 H ARG 26 -14.132 -2.407 5.106 207 2HB ARG 26 H ARG 26 -14.072 -3.759 3.962 208 1HG ARG 26 H ARG 26 -16.672 -3.939 4.692 209 2HG ARG 26 H ARG 26 -16.416 -2.203 4.976 210 1HD ARG 26 H ARG 26 -17.015 -2.154 2.743 211 2HD ARG 26 H ARG 26 -15.260 -2.327 2.573 212 HE ARG 26 H ARG 26 -17.335 -4.422 2.144 213 1HH1 ARG 26 H ARG 26 -13.909 -3.448 1.948 214 2HH1 ARG 26 H ARG 26 -13.440 -4.876 1.047 215 1HH2 ARG 26 H ARG 26 -16.639 -6.325 1.055 216 2HH2 ARG 26 H ARG 26 -14.962 -6.498 0.564 217 H GLY 27 H GLY 27 -12.959 -5.775 4.509 218 1HA GLY 27 HA2 GLY 27 -14.023 -8.361 5.033 219 2HA GLY 27 HA1 GLY 27 -14.791 -7.724 3.563 220 H ASP 28 H ASP 28 -12.519 -6.177 2.610 221 HA ASP 28 HA ASP 28 -11.053 -8.365 1.333 222 1HB ASP 28 H ASP 28 -10.971 -5.343 1.064 223 2HB ASP 28 H ASP 28 -9.974 -6.446 0.099 224 H THR 29 H THR 29 -10.372 -8.805 3.812 225 HA THR 29 HA THR 29 -7.956 -7.291 4.564 226 HB THR 29 HB THR 29 -9.206 -7.880 6.460 227 HG1 THR 29 HG1 THR 29 -7.283 -9.917 6.017 228 1HG2 THR 29 HG2 THR 29 -9.696 -10.522 5.057 229 2HG2 THR 29 HG2 THR 29 -10.882 -9.316 5.616 230 3HG2 THR 29 HG2 THR 29 -9.999 -10.305 6.797 231 H HIS 30 H HIS 30 -8.695 -9.662 2.328 232 HA HIS 30 HA HIS 30 -6.598 -11.549 2.709 233 1HB HIS 30 HB1 HIS 30 -7.154 -12.249 0.443 234 2HB HIS 30 HB2 HIS 30 -8.639 -11.911 1.346 235 HD1 HIS 30 HD1 HIS 30 -8.720 -11.907 -1.737 236 HD2 HIS 30 HD2 HIS 30 -7.995 -8.464 0.524 237 HE1 HIS 30 HE1 HIS 30 -9.326 -9.887 -3.154 238 HA PRO 31 HA PRO 31 -3.087 -9.352 1.152 239 1HB PRO 31 HB1 PRO 31 -2.008 -11.581 -0.349 240 2HB PRO 31 HB2 PRO 31 -1.496 -10.993 1.252 241 1HG PRO 31 HG1 PRO 31 -2.934 -13.410 0.625 242 2HG PRO 31 HG2 PRO 31 -2.495 -12.788 2.242 243 1HD PRO 31 HD2 PRO 31 -5.106 -12.807 0.940 244 2HD PRO 31 HD1 PRO 31 -4.687 -12.341 2.614 245 H LEU 32 H LEU 32 -3.218 -7.894 -0.455 246 HA LEU 32 HA LEU 32 -4.415 -8.717 -3.051 247 1HB LEU 32 HB2 LEU 32 -4.048 -6.108 -1.567 248 2HB LEU 32 HB1 LEU 32 -4.266 -6.104 -3.329 249 HG LEU 32 HG LEU 32 -6.183 -7.291 -1.270 250 1HD1 LEU 32 HD1 LEU 32 -7.667 -5.501 -2.040 251 2HD1 LEU 32 HD1 LEU 32 -6.128 -4.804 -1.484 252 3HD1 LEU 32 HD1 LEU 32 -6.450 -4.969 -3.234 253 1HD2 LEU 32 HD2 LEU 32 -6.500 -8.702 -3.125 254 2HD2 LEU 32 HD2 LEU 32 -6.044 -7.436 -4.284 255 3HD2 LEU 32 HD2 LEU 32 -7.629 -7.379 -3.489 256 H THR 33 H THR 33 -3.321 -8.255 -5.039 257 HA THR 33 HA THR 33 -0.411 -8.297 -4.861 258 HB THR 33 HB THR 33 -0.524 -8.329 -7.333 259 HG1 THR 33 HG1 THR 33 -3.335 -8.158 -6.981 260 1HG2 THR 33 HG2 THR 33 -1.781 -10.438 -7.574 261 2HG2 THR 33 HG2 THR 33 -2.593 -10.147 -6.020 262 3HG2 THR 33 HG2 THR 33 -0.838 -10.437 -6.066 263 H LEU 34 H LEU 34 0.845 -6.729 -6.350 264 HA LEU 34 HA LEU 34 0.624 -4.100 -5.348 265 1HB LEU 34 HB2 LEU 34 2.571 -5.454 -6.572 266 2HB LEU 34 HB1 LEU 34 1.899 -4.696 -8.029 267 HG LEU 34 HG LEU 34 3.674 -3.276 -7.249 268 1HD1 LEU 34 HD1 LEU 34 1.168 -1.952 -6.161 269 2HD1 LEU 34 HD1 LEU 34 1.463 -2.180 -7.902 270 3HD1 LEU 34 HD1 LEU 34 2.573 -1.186 -6.932 271 1HD2 LEU 34 HD2 LEU 34 3.816 -2.400 -4.967 272 2HD2 LEU 34 HD2 LEU 34 3.802 -4.176 -4.940 273 3HD2 LEU 34 HD2 LEU 34 2.335 -3.269 -4.510 274 H ASP 35 H ASP 35 -0.268 -5.420 -8.593 275 HA ASP 35 HA ASP 35 -1.278 -3.015 -9.654 276 1HB ASP 35 H ASP 35 -2.070 -5.892 -10.241 277 2HB ASP 35 H ASP 35 -2.431 -4.491 -11.275 278 H GLU 36 H GLU 36 -2.993 -5.612 -7.796 279 HA GLU 36 HA GLU 36 -5.607 -4.549 -8.023 280 1HB GLU 36 H GLU 36 -4.204 -6.216 -5.932 281 2HB GLU 36 H GLU 36 -5.895 -5.702 -5.727 282 1HG GLU 36 H GLU 36 -6.540 -6.762 -7.820 283 2HG GLU 36 H GLU 36 -4.850 -7.145 -8.202 284 H ILE 37 H ILE 37 -2.964 -3.773 -5.721 285 HA ILE 37 HA ILE 37 -4.501 -1.959 -4.132 286 HB ILE 37 HB ILE 37 -1.543 -2.391 -4.649 287 1HG1 ILE 37 HG1 ILE 37 -3.055 -2.537 -2.032 288 2HG1 ILE 37 HG1 ILE 37 -3.125 -3.882 -3.188 289 1HG2 ILE 37 HG2 ILE 37 -1.674 -0.009 -4.276 290 2HG2 ILE 37 HG2 ILE 37 -2.855 -0.222 -2.964 291 3HG2 ILE 37 HG2 ILE 37 -1.174 -0.750 -2.744 292 1HD1 ILE 37 HD1 ILE 37 -0.592 -2.694 -1.972 293 2HD1 ILE 37 HD1 ILE 37 -1.331 -4.256 -1.556 294 3HD1 ILE 37 HD1 ILE 37 -0.639 -4.005 -3.174 295 H LEU 38 H LEU 38 -2.287 -1.412 -6.960 296 HA LEU 38 HA LEU 38 -2.480 1.387 -7.051 297 1HB LEU 38 HB2 LEU 38 -2.312 -0.580 -9.372 298 2HB LEU 38 HB1 LEU 38 -2.005 1.156 -9.486 299 HG LEU 38 HG LEU 38 -0.428 -0.826 -7.819 300 1HD1 LEU 38 HD1 LEU 38 -0.058 -0.963 -10.267 301 2HD1 LEU 38 HD1 LEU 38 0.302 0.782 -10.297 302 3HD1 LEU 38 HD1 LEU 38 1.371 -0.335 -9.417 303 1HD2 LEU 38 HD2 LEU 38 -0.099 2.176 -8.204 304 2HD2 LEU 38 HD2 LEU 38 -0.417 1.328 -6.673 305 3HD2 LEU 38 HD2 LEU 38 1.143 1.124 -7.497 306 H ASP 39 H ASP 39 -4.505 -1.002 -8.843 307 HA ASP 39 HA ASP 39 -6.153 0.712 -10.229 308 1HB ASP 39 H ASP 39 -6.198 -1.730 -10.431 309 2HB ASP 39 H ASP 39 -6.906 -1.875 -8.810 310 H GLU 40 H GLU 40 -6.937 -0.597 -6.948 311 HA GLU 40 HA GLU 40 -9.298 0.926 -6.638 312 1HB GLU 40 H GLU 40 -7.399 -0.344 -4.636 313 2HB GLU 40 H GLU 40 -8.967 0.367 -4.195 314 1HG GLU 40 H GLU 40 -9.855 -1.169 -6.186 315 2HG GLU 40 H GLU 40 -8.378 -2.090 -5.847 316 H THR 41 H THR 41 -5.888 1.732 -5.764 317 HA THR 41 HA THR 41 -6.716 4.229 -4.459 318 HB THR 41 HB THR 41 -4.259 4.621 -4.347 319 HG1 THR 41 HG1 THR 41 -4.153 1.992 -5.399 320 1HG2 THR 41 HG2 THR 41 -3.871 2.895 -2.674 321 2HG2 THR 41 HG2 THR 41 -5.231 1.944 -3.307 322 3HG2 THR 41 HG2 THR 41 -5.524 3.522 -2.536 323 H GLN 42 H GLN 42 -6.623 3.320 -7.672 324 HA GLN 42 HA GLN 42 -6.670 4.510 -9.620 325 1HB GLN 42 HB1 GLN 42 -6.606 7.085 -8.005 326 2HB GLN 42 HB2 GLN 42 -7.317 6.799 -9.605 327 1HG GLN 42 HG1 GLN 42 -8.904 5.147 -8.480 328 2HG GLN 42 HG2 GLN 42 -8.302 5.753 -6.923 329 1HE2 GLN 42 HE2 GLN 42 -8.136 8.377 -7.043 330 2HE2 GLN 42 HE2 GLN 42 -9.646 9.129 -7.509 331 H HIS 43 H HIS 43 -4.235 3.550 -8.756 332 HA HIS 43 HA HIS 43 -2.341 5.657 -9.712 333 1HB HIS 43 HB2 HIS 43 -1.773 3.471 -7.678 334 2HB HIS 43 HB1 HIS 43 -0.659 4.736 -8.212 335 HD1 HIS 43 HD1 HIS 43 -3.026 7.044 -7.945 336 HD2 HIS 43 HD2 HIS 43 -1.678 4.374 -5.023 337 HE1 HIS 43 HE1 HIS 43 -3.567 8.027 -5.656 338 H LEU 44 H LEU 44 -3.883 3.495 -11.184 339 HA LEU 44 HA LEU 44 -2.054 1.335 -11.675 340 1HB LEU 44 HB1 LEU 44 -4.705 2.063 -12.437 341 2HB LEU 44 HB2 LEU 44 -3.783 1.802 -13.936 342 HG LEU 44 HG LEU 44 -3.728 -0.149 -11.583 343 1HD1 LEU 44 HD1 LEU 44 -5.425 -0.254 -14.123 344 2HD1 LEU 44 HD1 LEU 44 -5.345 -1.504 -12.858 345 3HD1 LEU 44 HD1 LEU 44 -6.042 0.091 -12.491 346 1HD2 LEU 44 HD2 LEU 44 -2.955 -0.373 -14.534 347 2HD2 LEU 44 HD2 LEU 44 -2.917 -1.710 -13.360 348 3HD2 LEU 44 HD2 LEU 44 -1.833 -0.316 -13.155 349 H ASP 45 H ASP 45 -2.746 4.435 -13.357 350 HA ASP 45 HA ASP 45 -0.610 3.971 -15.307 351 1HB ASP 45 H ASP 45 -2.291 6.435 -14.673 352 2HB ASP 45 H ASP 45 -1.223 6.240 -16.080 353 H ILE 46 H ILE 46 0.648 3.578 -13.023 354 HA ILE 46 HA ILE 46 1.810 6.140 -12.092 355 HB ILE 46 HB ILE 46 0.941 4.626 -10.385 356 1HG1 ILE 46 HG1 ILE 46 3.973 4.646 -10.346 357 2HG1 ILE 46 HG1 ILE 46 2.955 6.048 -9.948 358 1HG2 ILE 46 HG2 ILE 46 1.950 2.420 -9.998 359 2HG2 ILE 46 HG2 ILE 46 3.038 2.649 -11.383 360 3HG2 ILE 46 HG2 ILE 46 1.289 2.487 -11.642 361 1HD1 ILE 46 HD1 ILE 46 1.791 4.454 -8.249 362 2HD1 ILE 46 HD1 ILE 46 3.412 5.056 -7.843 363 3HD1 ILE 46 HD1 ILE 46 3.213 3.407 -8.475 364 H GLY 47 H GLY 47 4.054 6.516 -12.114 365 1HA GLY 47 HA1 GLY 47 5.476 5.466 -14.371 366 2HA GLY 47 HA2 GLY 47 6.147 6.485 -13.076 367 H LEU 48 H LEU 48 7.125 3.916 -14.482 368 HA LEU 48 HA LEU 48 6.945 1.729 -12.726 369 1HB LEU 48 HB2 LEU 48 8.629 0.726 -14.008 370 2HB LEU 48 HB1 LEU 48 7.852 1.845 -15.144 371 HG LEU 48 HG LEU 48 10.395 2.515 -13.571 372 1HD1 LEU 48 HD1 LEU 48 10.771 0.598 -15.082 373 2HD1 LEU 48 HD1 LEU 48 11.587 2.059 -15.687 374 3HD1 LEU 48 HD1 LEU 48 10.064 1.518 -16.432 375 1HD2 LEU 48 HD2 LEU 48 10.599 4.238 -15.430 376 2HD2 LEU 48 HD2 LEU 48 9.228 4.517 -14.338 377 3HD2 LEU 48 HD2 LEU 48 8.952 3.800 -15.941 378 H LYS 49 H LYS 49 8.841 4.682 -12.424 379 HA LYS 49 HA LYS 49 10.850 3.682 -10.653 380 1HB LYS 49 H LYS 49 9.630 6.441 -11.064 381 2HB LYS 49 H LYS 49 11.018 6.129 -9.997 382 1HG LYS 49 H LYS 49 12.452 5.668 -11.767 383 2HG LYS 49 H LYS 49 11.149 5.054 -12.804 384 1HD LYS 49 H LYS 49 11.913 7.178 -13.716 385 2HD LYS 49 H LYS 49 10.281 7.399 -13.048 386 1HE LYS 49 H LYS 49 11.615 9.283 -12.338 387 2HE LYS 49 H LYS 49 11.359 8.253 -10.915 388 1HZ LYS 49 H LYS 49 13.534 7.349 -11.240 389 2HZ LYS 49 H LYS 49 13.768 8.254 -12.599 390 3HZ LYS 49 H LYS 49 13.629 8.992 -11.131 391 H GLN 50 H GLN 50 7.693 5.334 -10.056 392 HA GLN 50 HA GLN 50 7.843 5.036 -7.192 393 1HB GLN 50 HB2 GLN 50 5.407 5.454 -8.964 394 2HB GLN 50 HB1 GLN 50 5.526 5.781 -7.224 395 1HG GLN 50 HG2 GLN 50 6.044 7.894 -7.876 396 2HG GLN 50 HG1 GLN 50 7.658 7.227 -8.193 397 1HE2 GLN 50 HE2 GLN 50 4.729 8.532 -9.584 398 2HE2 GLN 50 HE2 GLN 50 5.248 8.500 -11.254 399 H LYS 51 H LYS 51 6.229 3.200 -9.842 400 HA LYS 51 HA LYS 51 4.823 1.318 -8.315 401 1HB LYS 51 H LYS 51 5.057 1.756 -10.925 402 2HB LYS 51 H LYS 51 6.300 0.493 -10.818 403 1HG LYS 51 H LYS 51 4.585 -0.968 -9.645 404 2HG LYS 51 H LYS 51 3.372 0.281 -10.015 405 1HD LYS 51 H LYS 51 4.253 0.056 -12.481 406 2HD LYS 51 H LYS 51 4.917 -1.499 -11.927 407 1HE LYS 51 H LYS 51 1.993 -0.638 -11.731 408 2HE LYS 51 H LYS 51 2.658 -1.755 -12.938 409 1HZ LYS 51 H LYS 51 3.298 -3.201 -11.123 410 2HZ LYS 51 H LYS 51 2.599 -2.182 -10.032 411 3HZ LYS 51 H LYS 51 1.664 -2.953 -11.157 412 H GLN 52 H GLN 52 8.199 1.158 -9.554 413 HA GLN 52 HA GLN 52 8.843 -1.361 -8.421 414 1HB GLN 52 HB2 GLN 52 10.070 -0.146 -10.261 415 2HB GLN 52 HB1 GLN 52 10.692 0.987 -9.041 416 1HG GLN 52 HG2 GLN 52 12.378 -0.699 -9.432 417 2HG GLN 52 HG1 GLN 52 11.689 -0.982 -7.821 418 1HE2 GLN 52 HE2 GLN 52 12.632 -3.185 -8.145 419 2HE2 GLN 52 HE2 GLN 52 11.682 -4.376 -9.004 420 H TRP 53 H TRP 53 9.396 2.012 -7.231 421 HA TRP 53 HA TRP 53 10.759 1.366 -4.861 422 1HB TRP 53 HB1 TRP 53 10.632 3.636 -5.532 423 2HB TRP 53 HB2 TRP 53 8.867 3.599 -5.620 424 HD1 TRP 53 HD1 TRP 53 11.554 3.186 -2.879 425 HE1 TRP 53 HE1 TRP 53 10.752 4.311 -0.705 426 HE3 TRP 53 HE3 TRP 53 6.933 4.731 -4.431 427 HZ2 TRP 53 HZ2 TRP 53 8.419 5.680 0.219 428 HZ3 TRP 53 HZ3 TRP 53 5.439 5.923 -2.871 429 HH2 TRP 53 HH2 TRP 53 6.174 6.412 -0.548 430 H LEU 54 H LEU 54 7.199 1.741 -5.376 431 HA LEU 54 HA LEU 54 6.398 1.181 -2.752 432 1HB LEU 54 HB2 LEU 54 5.082 0.636 -5.433 433 2HB LEU 54 HB1 LEU 54 4.260 0.346 -3.886 434 HG LEU 54 HG LEU 54 5.511 3.036 -4.551 435 1HD1 LEU 54 HD1 LEU 54 3.874 2.457 -6.323 436 2HD1 LEU 54 HD1 LEU 54 3.277 3.774 -5.289 437 3HD1 LEU 54 HD1 LEU 54 2.651 2.122 -5.075 438 1HD2 LEU 54 HD2 LEU 54 3.372 2.072 -2.604 439 2HD2 LEU 54 HD2 LEU 54 4.978 2.719 -2.201 440 3HD2 LEU 54 HD2 LEU 54 3.745 3.787 -2.901 441 H MET 55 H MET 55 6.923 -1.043 -5.504 442 HA MET 55 HA MET 55 6.064 -3.373 -4.152 443 1HB MET 55 HB1 MET 55 6.311 -2.969 -6.649 444 2HB MET 55 HB2 MET 55 8.064 -3.189 -6.445 445 1HG MET 55 HG1 MET 55 7.638 -5.439 -5.469 446 2HG MET 55 HG2 MET 55 5.903 -5.210 -5.735 447 1HE MET 55 HE1 MET 55 5.774 -7.510 -6.965 448 2HE MET 55 HE2 MET 55 7.516 -7.744 -6.692 449 3HE MET 55 HE3 MET 55 6.831 -7.980 -8.317 450 H THR 56 H THR 56 9.458 -2.084 -4.601 451 HA THR 56 HA THR 56 10.283 -4.140 -2.587 452 HB THR 56 HB THR 56 10.962 -4.853 -4.808 453 HG1 THR 56 HG1 THR 56 12.412 -5.080 -3.002 454 1HG2 THR 56 HG2 THR 56 11.028 -2.876 -6.114 455 2HG2 THR 56 HG2 THR 56 12.138 -2.058 -4.994 456 3HG2 THR 56 HG2 THR 56 12.723 -3.396 -6.007 457 H GLU 57 H GLU 57 9.569 -1.679 -1.606 458 HA GLU 57 HA GLU 57 11.932 -1.049 -0.157 459 1HB GLU 57 H GLU 57 12.747 0.209 -2.012 460 2HB GLU 57 H GLU 57 11.163 0.940 -2.314 461 1HG GLU 57 H GLU 57 12.811 2.473 -1.169 462 2HG GLU 57 H GLU 57 11.293 2.248 -0.281 463 H ALA 58 H ALA 58 8.998 0.722 -1.331 464 HA ALA 58 HA ALA 58 8.514 1.903 1.220 465 1HB ALA 58 HB1 ALA 58 7.645 2.441 -1.243 466 2HB ALA 58 HB2 ALA 58 6.713 2.906 0.197 467 3HB ALA 58 HB3 ALA 58 6.268 1.449 -0.713 468 H LEU 59 H LEU 59 6.498 -0.595 -0.466 469 HA LEU 59 HA LEU 59 4.918 -1.138 1.818 470 1HB LEU 59 HB2 LEU 59 5.515 -2.843 -0.633 471 2HB LEU 59 HB1 LEU 59 4.203 -3.144 0.520 472 HG LEU 59 HG LEU 59 4.539 -0.654 -1.217 473 1HD1 LEU 59 HD1 LEU 59 3.750 -2.722 -2.378 474 2HD1 LEU 59 HD1 LEU 59 2.501 -1.456 -2.318 475 3HD1 LEU 59 HD1 LEU 59 2.417 -2.842 -1.204 476 1HD2 LEU 59 HD2 LEU 59 2.604 -1.352 1.008 477 2HD2 LEU 59 HD2 LEU 59 2.153 -0.221 -0.286 478 3HD2 LEU 59 HD2 LEU 59 3.533 0.146 0.773 479 H VAL 60 H VAL 60 7.767 -2.938 0.515 480 HA VAL 60 HA VAL 60 7.684 -5.095 2.298 481 HB VAL 60 HB VAL 60 10.145 -5.293 1.856 482 1HG1 VAL 60 HG1 VAL 60 8.411 -4.622 -0.558 483 2HG1 VAL 60 HG1 VAL 60 9.894 -5.603 -0.582 484 3HG1 VAL 60 HG1 VAL 60 8.455 -6.188 0.283 485 1HG2 VAL 60 HG2 VAL 60 10.802 -2.955 1.808 486 2HG2 VAL 60 HG2 VAL 60 9.696 -2.631 0.456 487 3HG2 VAL 60 HG2 VAL 60 11.121 -3.661 0.210 488 H ASN 61 H ASN 61 9.062 -1.809 2.831 489 HA ASN 61 HA ASN 61 10.066 -2.643 5.476 490 1HB ASN 61 HB1 ASN 61 10.186 -0.052 3.894 491 2HB ASN 61 HB2 ASN 61 10.803 -0.210 5.551 492 1HD2 ASN 61 HD2 ASN 61 12.135 0.213 2.776 493 2HD2 ASN 61 HD2 ASN 61 13.404 -0.999 2.758 494 H ASN 62 H ASN 62 7.256 -1.035 4.068 495 HA ASN 62 HA ASN 62 6.419 0.460 6.326 496 1HB ASN 62 HB1 ASN 62 5.509 0.651 4.013 497 2HB ASN 62 HB2 ASN 62 4.703 -0.915 4.231 498 1HD2 ASN 62 HD2 ASN 62 4.489 2.479 4.689 499 2HD2 ASN 62 HD2 ASN 62 3.054 2.503 5.688 500 HA PRO 63 HA PRO 63 5.705 -3.074 8.985 501 1HB PRO 63 HB2 PRO 63 4.475 -1.497 11.026 502 2HB PRO 63 HB1 PRO 63 6.175 -2.035 10.944 503 1HG PRO 63 HG1 PRO 63 5.062 0.639 10.471 504 2HG PRO 63 HG2 PRO 63 6.770 0.147 10.644 505 1HD PRO 63 HD1 PRO 63 5.407 0.875 8.236 506 2HD PRO 63 HD2 PRO 63 7.064 0.219 8.391 507 H LYS 64 H LYS 64 3.193 -0.605 8.292 508 HA LYS 64 HA LYS 64 1.003 -2.199 9.258 509 1HB LYS 64 H LYS 64 1.135 0.186 7.379 510 2HB LYS 64 H LYS 64 -0.378 -0.542 7.955 511 1HG LYS 64 H LYS 64 0.213 -0.079 10.273 512 2HG LYS 64 H LYS 64 1.825 0.499 9.789 513 1HD LYS 64 H LYS 64 0.832 2.362 8.548 514 2HD LYS 64 H LYS 64 -0.808 1.757 8.896 515 1HE LYS 64 H LYS 64 -0.503 2.126 11.280 516 2HE LYS 64 H LYS 64 1.210 2.539 11.044 517 1HZ LYS 64 H LYS 64 -1.071 4.060 9.987 518 2HZ LYS 64 H LYS 64 0.522 4.445 9.791 519 3HZ LYS 64 H LYS 64 -0.157 4.479 11.294 520 H ILE 65 H ILE 65 2.804 -2.118 6.204 521 HA ILE 65 HA ILE 65 0.776 -3.989 5.042 522 HB ILE 65 HB ILE 65 2.809 -2.244 3.594 523 1HG1 ILE 65 HG1 ILE 65 1.024 -0.875 4.666 524 2HG1 ILE 65 HG1 ILE 65 0.903 -0.863 2.897 525 1HG2 ILE 65 HG2 ILE 65 2.374 -4.090 2.206 526 2HG2 ILE 65 HG2 ILE 65 1.176 -2.899 1.656 527 3HG2 ILE 65 HG2 ILE 65 0.683 -4.222 2.736 528 1HD1 ILE 65 HD1 ILE 65 -1.325 -1.141 3.853 529 2HD1 ILE 65 HD1 ILE 65 -0.782 -2.531 4.813 530 3HD1 ILE 65 HD1 ILE 65 -0.856 -2.649 3.042 531 H GLU 66 H GLU 66 1.572 -5.935 5.850 532 HA GLU 66 HA GLU 66 4.438 -6.540 5.449 533 1HB GLU 66 H GLU 66 3.963 -8.558 6.760 534 2HB GLU 66 H GLU 66 3.385 -7.106 7.607 535 1HG GLU 66 H GLU 66 1.078 -7.557 6.718 536 2HG GLU 66 H GLU 66 1.685 -9.059 5.991 537 H VAL 67 H VAL 67 5.082 -8.562 4.382 538 HA VAL 67 HA VAL 67 3.456 -8.987 1.943 539 HB VAL 67 HB VAL 67 6.325 -9.750 2.645 540 1HG1 VAL 67 HG1 VAL 67 6.525 -10.154 0.190 541 2HG1 VAL 67 HG1 VAL 67 5.359 -11.262 0.949 542 3HG1 VAL 67 HG1 VAL 67 4.779 -9.865 0.013 543 1HG2 VAL 67 HG2 VAL 67 6.844 -7.906 1.005 544 2HG2 VAL 67 HG2 VAL 67 5.112 -7.497 0.989 545 3HG2 VAL 67 HG2 VAL 67 6.053 -7.330 2.489 546 H ILE 68 H ILE 68 2.527 -10.924 1.411 547 HA ILE 68 HA ILE 68 2.884 -13.162 3.368 548 HB ILE 68 HB ILE 68 0.403 -12.528 1.704 549 1HG1 ILE 68 HG1 ILE 68 0.853 -10.725 3.374 550 2HG1 ILE 68 HG1 ILE 68 -0.612 -11.654 3.739 551 1HG2 ILE 68 HG2 ILE 68 1.093 -14.547 3.869 552 2HG2 ILE 68 HG2 ILE 68 0.332 -14.832 2.290 553 3HG2 ILE 68 HG2 ILE 68 -0.590 -14.046 3.585 554 1HD1 ILE 68 HD1 ILE 68 0.700 -11.271 5.788 555 2HD1 ILE 68 HD1 ILE 68 2.113 -12.054 5.052 556 3HD1 ILE 68 HD1 ILE 68 0.652 -13.003 5.401 557 H ASP 69 H ASP 69 0.933 -13.984 0.680 558 HA ASP 69 HA ASP 69 3.035 -15.745 -0.333 559 1HB ASP 69 H ASP 69 0.740 -16.559 0.022 560 2HB ASP 69 H ASP 69 0.115 -15.348 -1.112 561 H GLY 70 H GLY 70 4.201 -13.531 -0.879 562 1HA GLY 70 HA1 GLY 70 5.181 -12.400 -2.634 563 2HA GLY 70 HA2 GLY 70 4.158 -13.310 -3.765 564 H LYS 71 H LYS 71 2.097 -11.976 -1.462 565 HA LYS 71 HA LYS 71 1.654 -9.527 -3.116 566 1HB LYS 71 H LYS 71 -0.615 -10.631 -1.552 567 2HB LYS 71 H LYS 71 -0.586 -9.933 -3.178 568 1HG LYS 71 H LYS 71 0.560 -12.068 -3.962 569 2HG LYS 71 H LYS 71 0.206 -12.746 -2.353 570 1HD LYS 71 H LYS 71 -2.166 -12.536 -2.686 571 2HD LYS 71 H LYS 71 -1.937 -11.554 -4.152 572 1HE LYS 71 H LYS 71 -2.528 -13.959 -4.629 573 2HE LYS 71 H LYS 71 -0.988 -13.444 -5.350 574 1HZ LYS 71 H LYS 71 0.158 -14.491 -3.540 575 2HZ LYS 71 H LYS 71 -0.830 -15.586 -4.280 576 3HZ LYS 71 H LYS 71 -1.266 -14.936 -2.833 577 H TYR 72 H TYR 72 0.071 -8.022 -1.643 578 HA TYR 72 HA TYR 72 1.595 -7.680 0.904 579 1HB TYR 72 HB2 TYR 72 0.293 -5.605 -0.885 580 2HB TYR 72 HB1 TYR 72 1.233 -5.287 0.580 581 HD1 TYR 72 HD1 TYR 72 3.667 -5.474 0.585 582 HD2 TYR 72 HD2 TYR 72 1.387 -6.418 -2.946 583 HE1 TYR 72 HE1 TYR 72 5.755 -5.500 -0.760 584 HE2 TYR 72 HE2 TYR 72 3.477 -6.455 -4.283 585 HH TYR 72 HH TYR 72 6.657 -5.656 -2.875 586 H ALA 73 H ALA 73 0.506 -7.684 2.752 587 HA ALA 73 HA ALA 73 -2.471 -7.409 2.668 588 1HB ALA 73 HB1 ALA 73 -0.734 -9.221 4.396 589 2HB ALA 73 HB2 ALA 73 -1.786 -9.744 3.063 590 3HB ALA 73 HB3 ALA 73 -2.501 -9.046 4.533 591 H PHE 74 H PHE 74 -3.405 -6.250 4.360 592 HA PHE 74 HA PHE 74 -1.573 -4.433 5.759 593 1HB PHE 74 HB2 PHE 74 -3.431 -3.384 4.766 594 2HB PHE 74 HB1 PHE 74 -4.559 -4.609 5.359 595 HD1 PHE 74 HD1 PHE 74 -5.330 -4.589 7.672 596 HD2 PHE 74 HD2 PHE 74 -2.675 -1.547 6.209 597 HE1 PHE 74 HE1 PHE 74 -5.919 -3.166 9.607 598 HE2 PHE 74 HE2 PHE 74 -3.239 -0.125 8.169 599 HZ PHE 74 HZ PHE 74 -4.887 -0.931 9.854 600 H LYS 75 H LYS 75 -0.902 -4.745 7.787 601 HA LYS 75 HA LYS 75 -1.899 -7.017 9.304 602 1HB LYS 75 H LYS 75 0.535 -6.168 9.080 603 2HB LYS 75 H LYS 75 0.070 -4.909 10.252 604 1HG LYS 75 H LYS 75 -0.481 -6.556 11.924 605 2HG LYS 75 H LYS 75 -0.406 -7.878 10.738 606 1HD LYS 75 H LYS 75 2.084 -7.108 10.398 607 2HD LYS 75 H LYS 75 1.866 -6.287 11.962 608 1HE LYS 75 H LYS 75 2.749 -8.452 12.480 609 2HE LYS 75 H LYS 75 1.017 -8.532 12.868 610 1HZ LYS 75 H LYS 75 0.693 -9.532 10.674 611 2HZ LYS 75 H LYS 75 1.657 -10.446 11.654 612 3HZ LYS 75 H LYS 75 2.327 -9.554 10.435 613 HA PRO 76 HA PRO 76 -5.031 -4.450 11.202 614 1HB PRO 76 HB1 PRO 76 -5.612 -6.379 13.232 615 2HB PRO 76 HB2 PRO 76 -6.499 -6.096 11.709 616 1HG PRO 76 HG2 PRO 76 -4.704 -8.304 12.407 617 2HG PRO 76 HG1 PRO 76 -5.761 -8.127 10.978 618 1HD PRO 76 HD1 PRO 76 -2.908 -7.867 11.081 619 2HD PRO 76 HD2 PRO 76 -3.980 -7.545 9.686 620 H LYS 77 H LYS 77 -2.606 -6.252 13.120 621 HA LYS 77 HA LYS 77 -1.279 -5.641 14.869 622 1HB LYS 77 H LYS 77 -0.952 -3.496 13.641 623 2HB LYS 77 H LYS 77 -2.357 -2.812 14.481 624 1HG LYS 77 H LYS 77 -0.332 -4.068 16.260 625 2HG LYS 77 H LYS 77 0.216 -2.613 15.396 626 1HD LYS 77 H LYS 77 -1.760 -1.368 16.221 627 2HD LYS 77 H LYS 77 -2.321 -2.822 17.071 628 1HE LYS 77 H LYS 77 0.007 -2.797 18.230 629 2HE LYS 77 H LYS 77 0.120 -1.123 17.644 630 1HZ LYS 77 H LYS 77 -0.786 -1.150 19.813 631 2HZ LYS 77 H LYS 77 -1.953 -2.246 19.402 632 3HZ LYS 77 H LYS 77 -1.997 -0.714 18.775 633 H TYR 78 H TYR 78 -1.629 -6.152 16.950 634 HA TYR 78 HA TYR 78 -4.255 -6.359 18.004 635 1HB TYR 78 HB2 TYR 78 -3.098 -6.895 20.136 636 2HB TYR 78 HB1 TYR 78 -2.482 -7.817 18.759 637 HD1 TYR 78 HD1 TYR 78 -1.669 -5.436 21.401 638 HD2 TYR 78 HD2 TYR 78 -0.245 -7.232 17.751 639 HE1 TYR 78 HE1 TYR 78 0.643 -4.709 21.941 640 HE2 TYR 78 HE2 TYR 78 2.063 -6.500 18.295 641 HH TYR 78 HH TYR 78 3.424 -5.474 19.824 642 H ASN 79 H ASN 79 -5.523 -4.616 18.340 643 HA ASN 79 HA ASN 79 -4.502 -2.480 20.116 644 1HB ASN 79 HB1 ASN 79 -4.311 -1.968 17.525 645 2HB ASN 79 HB2 ASN 79 -6.063 -1.718 17.646 646 1HD2 ASN 79 HD2 ASN 79 -6.880 -0.027 19.056 647 2HD2 ASN 79 HD2 ASN 79 -5.841 1.309 19.513 648 H VAL 80 H VAL 80 -6.180 -1.342 21.215 649 HA VAL 80 HA VAL 80 -8.534 -2.930 21.722 650 HB VAL 80 HB VAL 80 -7.323 -1.502 23.414 651 1HG1 VAL 80 HG1 VAL 80 -7.692 0.909 23.435 652 2HG1 VAL 80 HG1 VAL 80 -8.699 0.812 21.974 653 3HG1 VAL 80 HG1 VAL 80 -6.956 0.461 21.880 654 1HG2 VAL 80 HG2 VAL 80 -10.249 -0.738 23.007 655 2HG2 VAL 80 HG2 VAL 80 -9.695 -2.276 23.711 656 3HG2 VAL 80 HG2 VAL 80 -9.348 -0.741 24.540 657 H ARG 81 H ARG 81 -10.712 -2.433 21.219 658 HA ARG 81 HA ARG 81 -11.387 -0.137 19.582 659 1HB ARG 81 H ARG 81 -10.252 -2.090 18.107 660 2HB ARG 81 H ARG 81 -11.893 -2.760 18.188 661 1HG ARG 81 H ARG 81 -11.253 0.100 17.317 662 2HG ARG 81 H ARG 81 -11.453 -1.256 16.188 663 1HD ARG 81 H ARG 81 -13.550 -0.199 18.123 664 2HD ARG 81 H ARG 81 -13.545 0.009 16.369 665 HE ARG 81 H ARG 81 -13.577 -2.601 16.360 666 1HH1 ARG 81 H ARG 81 -14.901 -0.916 19.187 667 2HH1 ARG 81 H ARG 81 -16.464 -1.694 19.078 668 1HH2 ARG 81 H ARG 81 -15.524 -3.850 16.438 669 2HH2 ARG 81 H ARG 81 -16.670 -3.586 17.731 Start of MODEL 16 1 1H ALA 1 H1 ALA 1 14.498 16.157 10.472 2 2H ALA 1 H2 ALA 1 13.346 15.086 10.965 3 3H ALA 1 H3 ALA 1 13.859 16.274 11.989 4 HA ALA 1 HA ALA 1 11.709 16.800 11.109 5 1HB ALA 1 HB1 ALA 1 12.243 19.054 10.298 6 2HB ALA 1 HB2 ALA 1 13.928 18.567 9.996 7 3HB ALA 1 HB3 ALA 1 13.302 18.626 11.661 8 H LEU 2 H LEU 2 10.742 17.914 9.034 9 HA LEU 2 HA LEU 2 10.601 15.941 7.000 10 1HB LEU 2 HB1 LEU 2 9.834 18.894 6.997 11 2HB LEU 2 HB2 LEU 2 9.374 17.728 5.735 12 HG LEU 2 HG LEU 2 8.682 16.471 8.178 13 1HD1 LEU 2 HD1 LEU 2 7.788 19.391 8.131 14 2HD1 LEU 2 HD1 LEU 2 7.219 18.144 9.266 15 3HD1 LEU 2 HD1 LEU 2 8.915 18.674 9.305 16 1HD2 LEU 2 HD2 LEU 2 7.466 16.326 6.032 17 2HD2 LEU 2 HD2 LEU 2 6.962 18.026 6.193 18 3HD2 LEU 2 HD2 LEU 2 6.368 16.808 7.348 19 H SER 3 H SER 3 12.313 15.371 5.770 20 HA SER 3 HA SER 3 13.533 17.334 4.011 21 1HB SER 3 HB2 SER 3 15.887 16.762 4.859 22 2HB SER 3 HB1 SER 3 14.928 17.853 5.884 23 HG SER 3 HG SER 3 14.326 15.963 7.105 24 H GLY 4 H GLY 4 12.330 15.696 2.701 25 1HA GLY 4 HA1 GLY 4 14.182 13.542 1.894 26 2HA GLY 4 HA2 GLY 4 12.556 13.053 2.423 27 H SER 5 H SER 5 13.865 15.789 0.464 28 HA SER 5 HA SER 5 13.344 16.555 -1.625 29 1HB SER 5 HB1 SER 5 13.866 14.061 -2.129 30 2HB SER 5 HB2 SER 5 12.103 13.862 -2.268 31 HG SER 5 HG SER 5 12.987 14.368 -4.277 32 H SER 6 H SER 6 11.217 16.228 -3.337 33 HA SER 6 HA SER 6 9.086 17.562 -1.855 34 1HB SER 6 HB2 SER 6 9.353 16.743 -4.780 35 2HB SER 6 HB1 SER 6 8.069 17.779 -4.115 36 HG SER 6 HG SER 6 10.856 18.308 -3.964 37 H GLY 7 H GLY 7 6.725 16.851 -2.612 38 1HA GLY 7 HA1 GLY 7 6.407 14.099 -1.615 39 2HA GLY 7 HA2 GLY 7 5.137 15.319 -1.830 40 H TYR 8 H TYR 8 6.818 12.627 -3.243 41 HA TYR 8 HA TYR 8 4.817 12.485 -5.387 42 1HB TYR 8 HB1 TYR 8 6.559 12.184 -7.154 43 2HB TYR 8 HB2 TYR 8 6.484 13.828 -6.507 44 HD1 TYR 8 HD1 TYR 8 8.567 10.832 -6.912 45 HD2 TYR 8 HD2 TYR 8 8.249 14.656 -4.966 46 HE1 TYR 8 HE1 TYR 8 10.998 10.779 -6.408 47 HE2 TYR 8 HE2 TYR 8 10.674 14.602 -4.470 48 HH TYR 8 HH TYR 8 12.778 11.895 -5.478 49 H LYS 9 H LYS 9 5.275 10.996 -3.000 50 HA LYS 9 HA LYS 9 5.339 8.322 -3.998 51 1HB LYS 9 H LYS 9 7.458 7.607 -2.823 52 2HB LYS 9 H LYS 9 7.718 8.586 -4.269 53 1HG LYS 9 H LYS 9 7.784 10.604 -2.586 54 2HG LYS 9 H LYS 9 8.056 9.349 -1.362 55 1HD LYS 9 H LYS 9 9.725 9.687 -3.897 56 2HD LYS 9 H LYS 9 10.175 10.325 -2.301 57 1HE LYS 9 H LYS 9 11.298 8.311 -2.214 58 2HE LYS 9 H LYS 9 9.734 7.791 -1.552 59 1HZ LYS 9 H LYS 9 10.525 6.320 -3.259 60 2HZ LYS 9 H LYS 9 10.574 7.548 -4.359 61 3HZ LYS 9 H LYS 9 9.129 7.051 -3.741 62 H PHE 10 H PHE 10 6.153 10.322 -1.114 63 HA PHE 10 HA PHE 10 5.159 8.469 0.798 64 1HB PHE 10 HB2 PHE 10 5.112 11.464 1.185 65 2HB PHE 10 HB1 PHE 10 5.499 10.191 2.356 66 HD1 PHE 10 HD1 PHE 10 6.838 12.617 0.104 67 HD2 PHE 10 HD2 PHE 10 7.646 8.757 1.835 68 HE1 PHE 10 HE1 PHE 10 9.238 12.864 -0.462 69 HE2 PHE 10 HE2 PHE 10 10.051 9.011 1.268 70 HZ PHE 10 HZ PHE 10 10.846 11.066 0.114 71 H GLY 11 H GLY 11 3.593 11.160 -0.985 72 1HA GLY 11 HA1 GLY 11 1.138 11.172 0.443 73 2HA GLY 11 HA2 GLY 11 1.385 11.739 -1.224 74 H VAL 12 H VAL 12 2.084 9.485 -2.616 75 HA VAL 12 HA VAL 12 -0.424 8.191 -2.989 76 HB VAL 12 HB VAL 12 2.384 7.441 -3.934 77 1HG1 VAL 12 HG1 VAL 12 -0.389 6.476 -4.785 78 2HG1 VAL 12 HG1 VAL 12 0.919 5.488 -4.090 79 3HG1 VAL 12 HG1 VAL 12 1.098 6.185 -5.716 80 1HG2 VAL 12 HG2 VAL 12 1.615 8.516 -6.046 81 2HG2 VAL 12 HG2 VAL 12 0.078 8.953 -5.261 82 3HG2 VAL 12 HG2 VAL 12 1.606 9.669 -4.693 83 H LEU 13 H LEU 13 2.609 7.156 -1.337 84 HA LEU 13 HA LEU 13 1.798 4.522 -0.703 85 1HB LEU 13 HB2 LEU 13 4.095 5.233 -0.461 86 2HB LEU 13 HB1 LEU 13 3.643 6.488 0.710 87 HG LEU 13 HG LEU 13 2.837 4.669 2.267 88 1HD1 LEU 13 HD1 LEU 13 4.094 2.886 0.133 89 2HD1 LEU 13 HD1 LEU 13 3.653 2.342 1.767 90 3HD1 LEU 13 HD1 LEU 13 2.390 2.891 0.644 91 1HD2 LEU 13 HD2 LEU 13 5.728 4.510 1.320 92 2HD2 LEU 13 HD2 LEU 13 5.127 3.893 2.877 93 3HD2 LEU 13 HD2 LEU 13 5.073 5.637 2.530 94 H ALA 14 H ALA 14 1.461 7.581 1.194 95 HA ALA 14 HA ALA 14 0.190 6.448 3.451 96 1HB ALA 14 HB1 ALA 14 -0.616 8.756 3.857 97 2HB ALA 14 HB2 ALA 14 -0.150 9.208 2.199 98 3HB ALA 14 HB3 ALA 14 1.098 8.738 3.379 99 H LYS 15 H LYS 15 -1.176 7.703 0.360 100 HA LYS 15 HA LYS 15 -3.905 7.407 1.102 101 1HB LYS 15 H LYS 15 -2.975 8.693 -0.866 102 2HB LYS 15 H LYS 15 -2.721 7.136 -1.687 103 1HG LYS 15 H LYS 15 -4.937 6.917 -2.178 104 2HG LYS 15 H LYS 15 -5.422 7.366 -0.529 105 1HD LYS 15 H LYS 15 -6.314 9.130 -1.772 106 2HD LYS 15 H LYS 15 -4.750 9.809 -1.271 107 1HE LYS 15 H LYS 15 -5.413 8.509 -3.951 108 2HE LYS 15 H LYS 15 -5.116 10.234 -3.656 109 1HZ LYS 15 H LYS 15 -3.159 9.332 -4.492 110 2HZ LYS 15 H LYS 15 -2.883 9.534 -2.878 111 3HZ LYS 15 H LYS 15 -3.194 8.028 -3.482 112 H ILE 16 H ILE 16 -1.592 5.158 -0.528 113 HA ILE 16 HA ILE 16 -3.453 3.056 -0.961 114 HB ILE 16 HB ILE 16 -0.435 3.102 -0.567 115 1HG1 ILE 16 HG1 ILE 16 -2.090 2.436 -3.036 116 2HG1 ILE 16 HG1 ILE 16 -1.624 4.103 -2.634 117 1HG2 ILE 16 HG2 ILE 16 -0.513 0.735 -1.455 118 2HG2 ILE 16 HG2 ILE 16 -2.275 0.755 -1.215 119 3HG2 ILE 16 HG2 ILE 16 -1.179 0.904 0.180 120 1HD1 ILE 16 HD1 ILE 16 0.783 3.355 -2.568 121 2HD1 ILE 16 HD1 ILE 16 0.027 3.198 -4.170 122 3HD1 ILE 16 HD1 ILE 16 0.255 1.760 -3.154 123 H VAL 17 H VAL 17 -1.208 3.705 1.788 124 HA VAL 17 HA VAL 17 -1.851 1.478 3.362 125 HB VAL 17 HB VAL 17 -0.964 4.310 3.987 126 1HG1 VAL 17 HG1 VAL 17 -0.533 3.455 6.337 127 2HG1 VAL 17 HG1 VAL 17 -2.249 3.712 5.947 128 3HG1 VAL 17 HG1 VAL 17 -1.575 2.063 5.953 129 1HG2 VAL 17 HG2 VAL 17 0.589 2.622 2.937 130 2HG2 VAL 17 HG2 VAL 17 0.367 1.596 4.375 131 3HG2 VAL 17 HG2 VAL 17 1.128 3.196 4.531 132 H ASN 18 H ASN 18 -3.497 4.687 3.157 133 HA ASN 18 HA ASN 18 -5.388 4.141 5.237 134 1HB ASN 18 HB1 ASN 18 -4.882 6.408 4.493 135 2HB ASN 18 HB2 ASN 18 -5.472 6.043 2.858 136 1HD2 ASN 18 HD2 ASN 18 -6.500 6.143 6.306 137 2HD2 ASN 18 HD2 ASN 18 -8.169 6.554 5.977 138 H TYR 19 H TYR 19 -5.602 3.786 1.633 139 HA TYR 19 HA TYR 19 -8.332 2.957 1.613 140 1HB TYR 19 HB1 TYR 19 -7.892 3.207 -0.569 141 2HB TYR 19 HB2 TYR 19 -6.150 3.228 -0.263 142 HD1 TYR 19 HD1 TYR 19 -9.052 1.032 -1.087 143 HD2 TYR 19 HD2 TYR 19 -4.782 1.311 -0.698 144 HE1 TYR 19 HE1 TYR 19 -8.793 -1.167 -2.223 145 HE2 TYR 19 HE2 TYR 19 -4.527 -0.876 -1.798 146 HH TYR 19 HH TYR 19 -7.198 -2.587 -3.303 147 H MET 20 H MET 20 -5.256 1.150 1.996 148 HA MET 20 HA MET 20 -6.456 -1.452 1.975 149 1HB MET 20 HB2 MET 20 -3.821 -0.263 2.433 150 2HB MET 20 HB1 MET 20 -4.149 -1.568 3.584 151 1HG MET 20 HG1 MET 20 -4.481 -1.778 0.570 152 2HG MET 20 HG2 MET 20 -3.078 -2.363 1.473 153 1HE MET 20 HE1 MET 20 -4.801 -5.670 0.320 154 2HE MET 20 HE2 MET 20 -3.297 -4.718 0.356 155 3HE MET 20 HE3 MET 20 -4.699 -4.133 -0.571 156 H LYS 21 H LYS 21 -5.659 0.917 4.528 157 HA LYS 21 HA LYS 21 -6.311 -0.600 6.800 158 1HB LYS 21 H LYS 21 -5.346 1.852 6.416 159 2HB LYS 21 H LYS 21 -7.034 2.335 6.550 160 1HG LYS 21 H LYS 21 -5.258 1.001 8.623 161 2HG LYS 21 H LYS 21 -6.105 2.549 8.744 162 1HD LYS 21 H LYS 21 -7.464 -0.177 8.637 163 2HD LYS 21 H LYS 21 -7.165 0.752 10.112 164 1HE LYS 21 H LYS 21 -8.549 2.249 7.946 165 2HE LYS 21 H LYS 21 -9.465 0.909 8.649 166 1HZ LYS 21 H LYS 21 -9.876 2.899 9.835 167 2HZ LYS 21 H LYS 21 -9.038 1.869 10.811 168 3HZ LYS 21 H LYS 21 -8.269 3.150 10.113 169 H THR 22 H THR 22 -8.402 1.676 4.958 170 HA THR 22 HA THR 22 -10.757 1.121 6.443 171 HB THR 22 HB THR 22 -10.535 2.144 3.569 172 HG1 THR 22 HG1 THR 22 -9.170 3.377 4.771 173 1HG2 THR 22 HG2 THR 22 -12.834 1.695 4.346 174 2HG2 THR 22 HG2 THR 22 -12.551 3.449 4.250 175 3HG2 THR 22 HG2 THR 22 -12.532 2.631 5.829 176 H ARG 23 H ARG 23 -9.666 -0.183 3.205 177 HA ARG 23 HA ARG 23 -12.089 -1.676 2.870 178 1HB ARG 23 H ARG 23 -11.144 -2.526 0.913 179 2HB ARG 23 H ARG 23 -10.412 -0.926 1.083 180 1HG ARG 23 H ARG 23 -8.497 -2.113 0.635 181 2HG ARG 23 H ARG 23 -8.526 -2.332 2.390 182 1HD ARG 23 H ARG 23 -8.127 -4.451 1.014 183 2HD ARG 23 H ARG 23 -9.442 -4.547 2.193 184 HE ARG 23 H ARG 23 -10.972 -4.782 0.472 185 1HH1 ARG 23 H ARG 23 -7.910 -3.604 -0.841 186 2HH1 ARG 23 H ARG 23 -8.389 -3.853 -2.507 187 1HH2 ARG 23 H ARG 23 -11.540 -5.219 -1.695 188 2HH2 ARG 23 H ARG 23 -10.582 -4.490 -2.985 189 H HIS 24 H HIS 24 -8.943 -2.452 4.412 190 HA HIS 24 HA HIS 24 -9.520 -5.237 4.849 191 1HB HIS 24 HB2 HIS 24 -7.261 -4.287 5.037 192 2HB HIS 24 HB1 HIS 24 -7.788 -3.244 6.370 193 HD1 HIS 24 HD1 HIS 24 -6.506 -6.658 5.610 194 HD2 HIS 24 HD2 HIS 24 -8.347 -4.707 8.819 195 HE1 HIS 24 HE1 HIS 24 -6.162 -8.086 7.690 196 H GLN 25 H GLN 25 -10.160 -2.188 6.581 197 HA GLN 25 HA GLN 25 -11.519 -3.463 8.822 198 1HB GLN 25 HB2 GLN 25 -10.239 -1.234 8.806 199 2HB GLN 25 HB1 GLN 25 -11.621 -0.553 7.918 200 1HG GLN 25 HG2 GLN 25 -12.970 -1.712 9.938 201 2HG GLN 25 HG1 GLN 25 -11.416 -1.473 10.755 202 1HE2 GLN 25 HE2 GLN 25 -14.205 -0.154 10.957 203 2HE2 GLN 25 HE2 GLN 25 -13.862 1.559 10.879 204 H ARG 26 H ARG 26 -12.679 -4.614 6.677 205 HA ARG 26 HA ARG 26 -15.412 -3.554 6.724 206 1HB ARG 26 H ARG 26 -13.941 -2.506 4.753 207 2HB ARG 26 H ARG 26 -14.238 -4.084 3.992 208 1HG ARG 26 H ARG 26 -16.155 -3.085 3.250 209 2HG ARG 26 H ARG 26 -16.763 -3.467 4.878 210 1HD ARG 26 H ARG 26 -15.443 -0.858 4.000 211 2HD ARG 26 H ARG 26 -17.173 -1.090 4.323 212 HE ARG 26 H ARG 26 -14.990 -0.851 6.292 213 1HH1 ARG 26 H ARG 26 -18.372 -1.764 5.698 214 2HH1 ARG 26 H ARG 26 -18.852 -1.559 7.364 215 1HH2 ARG 26 H ARG 26 -15.606 -0.718 8.490 216 2HH2 ARG 26 H ARG 26 -17.281 -0.919 8.953 217 H GLY 27 H GLY 27 -13.140 -5.887 5.171 218 1HA GLY 27 HA1 GLY 27 -14.185 -8.228 6.228 219 2HA GLY 27 HA2 GLY 27 -15.174 -7.903 4.786 220 H ASP 28 H ASP 28 -12.912 -6.516 3.398 221 HA ASP 28 HA ASP 28 -11.735 -8.843 2.120 222 1HB ASP 28 H ASP 28 -11.377 -5.842 1.865 223 2HB ASP 28 H ASP 28 -10.500 -7.005 0.852 224 H THR 29 H THR 29 -10.886 -9.357 4.546 225 HA THR 29 HA THR 29 -8.345 -7.989 5.109 226 HB THR 29 HB THR 29 -8.335 -9.457 7.115 227 HG1 THR 29 HG1 THR 29 -10.828 -10.391 6.114 228 1HG2 THR 29 HG2 THR 29 -9.574 -7.293 7.108 229 2HG2 THR 29 HG2 THR 29 -10.301 -8.490 8.201 230 3HG2 THR 29 HG2 THR 29 -11.049 -8.156 6.622 231 H HIS 30 H HIS 30 -7.922 -8.913 2.686 232 HA HIS 30 HA HIS 30 -6.270 -11.343 3.109 233 1HB HIS 30 HB1 HIS 30 -7.214 -12.526 1.380 234 2HB HIS 30 HB2 HIS 30 -8.644 -11.648 1.945 235 HD1 HIS 30 HD1 HIS 30 -8.732 -9.051 0.601 236 HD2 HIS 30 HD2 HIS 30 -7.060 -12.365 -1.337 237 HE1 HIS 30 HE1 HIS 30 -8.738 -8.576 -1.897 238 HA PRO 31 HA PRO 31 -3.179 -9.041 1.011 239 1HB PRO 31 HB2 PRO 31 -2.104 -11.239 -0.491 240 2HB PRO 31 HB1 PRO 31 -1.479 -10.551 1.019 241 1HG PRO 31 HG1 PRO 31 -2.798 -13.083 0.625 242 2HG PRO 31 HG2 PRO 31 -2.242 -12.372 2.164 243 1HD PRO 31 HD1 PRO 31 -4.962 -12.622 1.152 244 2HD PRO 31 HD2 PRO 31 -4.403 -12.048 2.750 245 H LEU 32 H LEU 32 -2.630 -8.051 -0.961 246 HA LEU 32 HA LEU 32 -3.953 -9.027 -3.444 247 1HB LEU 32 HB2 LEU 32 -4.198 -6.297 -2.143 248 2HB LEU 32 HB1 LEU 32 -4.294 -6.467 -3.906 249 HG LEU 32 HG LEU 32 -6.109 -7.822 -1.860 250 1HD1 LEU 32 HD1 LEU 32 -7.832 -6.382 -2.865 251 2HD1 LEU 32 HD1 LEU 32 -6.639 -5.721 -4.014 252 3HD1 LEU 32 HD1 LEU 32 -6.484 -5.383 -2.271 253 1HD2 LEU 32 HD2 LEU 32 -5.827 -8.099 -4.868 254 2HD2 LEU 32 HD2 LEU 32 -5.974 -9.384 -3.652 255 3HD2 LEU 32 HD2 LEU 32 -7.383 -8.390 -4.068 256 H THR 33 H THR 33 -2.673 -8.670 -5.308 257 HA THR 33 HA THR 33 0.123 -8.176 -4.950 258 HB THR 33 HB THR 33 0.188 -8.036 -7.442 259 HG1 THR 33 HG1 THR 33 -2.624 -8.340 -7.260 260 1HG2 THR 33 HG2 THR 33 -1.554 -10.252 -6.301 261 2HG2 THR 33 HG2 THR 33 0.219 -10.247 -6.433 262 3HG2 THR 33 HG2 THR 33 -0.783 -10.292 -7.901 263 H LEU 34 H LEU 34 1.296 -6.409 -6.231 264 HA LEU 34 HA LEU 34 0.599 -3.865 -5.196 265 1HB LEU 34 HB2 LEU 34 2.854 -4.893 -6.121 266 2HB LEU 34 HB1 LEU 34 2.307 -4.209 -7.666 267 HG LEU 34 HG LEU 34 2.521 -2.609 -5.070 268 1HD1 LEU 34 HD1 LEU 34 4.443 -2.898 -7.403 269 2HD1 LEU 34 HD1 LEU 34 4.574 -1.660 -6.130 270 3HD1 LEU 34 HD1 LEU 34 4.723 -3.380 -5.717 271 1HD2 LEU 34 HD2 LEU 34 2.643 -0.750 -6.945 272 2HD2 LEU 34 HD2 LEU 34 1.068 -1.400 -6.442 273 3HD2 LEU 34 HD2 LEU 34 1.831 -1.980 -7.939 274 H ASP 35 H ASP 35 0.313 -5.208 -8.554 275 HA ASP 35 HA ASP 35 -0.879 -2.900 -9.677 276 1HB ASP 35 H ASP 35 -0.999 -5.836 -10.434 277 2HB ASP 35 H ASP 35 -1.690 -4.538 -11.432 278 H GLU 36 H GLU 36 -2.387 -5.780 -8.075 279 HA GLU 36 HA GLU 36 -5.095 -5.093 -8.573 280 1HB GLU 36 H GLU 36 -3.674 -6.606 -6.378 281 2HB GLU 36 H GLU 36 -5.417 -6.282 -6.266 282 1HG GLU 36 H GLU 36 -5.823 -7.386 -8.400 283 2HG GLU 36 H GLU 36 -4.083 -7.601 -8.668 284 H ILE 37 H ILE 37 -2.778 -3.975 -6.081 285 HA ILE 37 HA ILE 37 -4.684 -2.391 -4.635 286 HB ILE 37 HB ILE 37 -1.671 -2.545 -4.801 287 1HG1 ILE 37 HG1 ILE 37 -3.464 -2.710 -2.368 288 2HG1 ILE 37 HG1 ILE 37 -3.277 -4.100 -3.457 289 1HG2 ILE 37 HG2 ILE 37 -3.330 -0.377 -3.483 290 2HG2 ILE 37 HG2 ILE 37 -1.708 -0.805 -2.904 291 3HG2 ILE 37 HG2 ILE 37 -1.925 -0.191 -4.555 292 1HD1 ILE 37 HD1 ILE 37 -0.800 -3.975 -3.155 293 2HD1 ILE 37 HD1 ILE 37 -1.659 -4.268 -1.625 294 3HD1 ILE 37 HD1 ILE 37 -1.028 -2.647 -1.995 295 H LEU 38 H LEU 38 -2.307 -1.593 -7.275 296 HA LEU 38 HA LEU 38 -2.779 1.169 -7.411 297 1HB LEU 38 HB2 LEU 38 -2.341 -0.739 -9.753 298 2HB LEU 38 HB1 LEU 38 -2.134 1.017 -9.794 299 HG LEU 38 HG LEU 38 -0.486 -1.017 -8.292 300 1HD1 LEU 38 HD1 LEU 38 0.136 -0.626 -10.622 301 2HD1 LEU 38 HD1 LEU 38 1.366 0.069 -9.541 302 3HD1 LEU 38 HD1 LEU 38 0.184 1.128 -10.334 303 1HD2 LEU 38 HD2 LEU 38 -0.799 0.783 -6.695 304 2HD2 LEU 38 HD2 LEU 38 -0.517 2.001 -7.957 305 3HD2 LEU 38 HD2 LEU 38 0.815 0.966 -7.412 306 H ASP 39 H ASP 39 -4.592 -1.492 -9.017 307 HA ASP 39 HA ASP 39 -6.317 0.019 -10.578 308 1HB ASP 39 H ASP 39 -6.122 -2.452 -10.583 309 2HB ASP 39 H ASP 39 -6.984 -2.508 -9.031 310 H GLU 40 H GLU 40 -6.978 -1.112 -7.213 311 HA GLU 40 HA GLU 40 -9.478 0.260 -7.038 312 1HB GLU 40 H GLU 40 -7.597 -0.899 -4.949 313 2HB GLU 40 H GLU 40 -9.222 -0.272 -4.584 314 1HG GLU 40 H GLU 40 -10.191 -1.858 -6.248 315 2HG GLU 40 H GLU 40 -8.568 -2.509 -6.557 316 H THR 41 H THR 41 -6.170 1.148 -5.844 317 HA THR 41 HA THR 41 -7.133 3.624 -4.648 318 HB THR 41 HB THR 41 -4.251 3.286 -5.300 319 HG1 THR 41 HG1 THR 41 -4.723 1.198 -4.745 320 1HG2 THR 41 HG2 THR 41 -5.689 3.816 -2.666 321 2HG2 THR 41 HG2 THR 41 -4.009 4.215 -3.088 322 3HG2 THR 41 HG2 THR 41 -5.352 5.104 -3.843 323 H GLN 42 H GLN 42 -6.755 2.723 -7.882 324 HA GLN 42 HA GLN 42 -6.741 3.920 -9.826 325 1HB GLN 42 HB2 GLN 42 -8.488 5.249 -8.521 326 2HB GLN 42 HB1 GLN 42 -7.200 6.414 -8.140 327 1HG GLN 42 HG2 GLN 42 -6.795 6.777 -10.549 328 2HG GLN 42 HG1 GLN 42 -8.042 5.579 -10.948 329 1HE2 GLN 42 HE2 GLN 42 -7.563 8.608 -9.048 330 2HE2 GLN 42 HE2 GLN 42 -9.142 9.277 -9.393 331 H HIS 43 H HIS 43 -4.301 3.237 -8.933 332 HA HIS 43 HA HIS 43 -2.615 5.607 -9.606 333 1HB HIS 43 HB2 HIS 43 -2.017 3.457 -7.536 334 2HB HIS 43 HB1 HIS 43 -0.952 4.799 -7.980 335 HD1 HIS 43 HD1 HIS 43 -3.623 6.822 -8.020 336 HD2 HIS 43 HD2 HIS 43 -2.148 4.497 -4.876 337 HE1 HIS 43 HE1 HIS 43 -4.479 7.814 -5.848 338 H LEU 44 H LEU 44 -3.584 3.844 -11.551 339 HA LEU 44 HA LEU 44 -1.664 1.687 -11.957 340 1HB LEU 44 HB2 LEU 44 -3.722 2.924 -13.830 341 2HB LEU 44 HB1 LEU 44 -2.804 1.433 -14.131 342 HG LEU 44 HG LEU 44 -3.786 0.769 -11.706 343 1HD1 LEU 44 HD1 LEU 44 -5.118 2.588 -11.082 344 2HD1 LEU 44 HD1 LEU 44 -5.543 3.002 -12.757 345 3HD1 LEU 44 HD1 LEU 44 -6.322 1.622 -11.959 346 1HD2 LEU 44 HD2 LEU 44 -4.099 -0.481 -13.826 347 2HD2 LEU 44 HD2 LEU 44 -5.621 -0.396 -12.908 348 3HD2 LEU 44 HD2 LEU 44 -5.374 0.660 -14.320 349 H ASP 45 H ASP 45 -2.251 4.978 -13.247 350 HA ASP 45 HA ASP 45 0.151 4.871 -14.935 351 1HB ASP 45 H ASP 45 -0.527 7.179 -15.513 352 2HB ASP 45 H ASP 45 -1.882 6.043 -15.688 353 H ILE 46 H ILE 46 0.351 4.520 -11.954 354 HA ILE 46 HA ILE 46 1.317 6.875 -10.718 355 HB ILE 46 HB ILE 46 0.560 4.773 -9.611 356 1HG1 ILE 46 HG1 ILE 46 3.202 6.038 -8.937 357 2HG1 ILE 46 HG1 ILE 46 1.623 6.290 -8.181 358 1HG2 ILE 46 HG2 ILE 46 1.872 3.271 -11.201 359 2HG2 ILE 46 HG2 ILE 46 1.953 2.841 -9.481 360 3HG2 ILE 46 HG2 ILE 46 3.316 3.688 -10.250 361 1HD1 ILE 46 HD1 ILE 46 2.949 4.933 -6.678 362 2HD1 ILE 46 HD1 ILE 46 1.708 3.880 -7.395 363 3HD1 ILE 46 HD1 ILE 46 3.389 3.808 -7.985 364 H GLY 47 H GLY 47 2.857 4.464 -12.825 365 1HA GLY 47 HA2 GLY 47 4.769 4.989 -14.156 366 2HA GLY 47 HA1 GLY 47 5.300 6.158 -12.925 367 H LEU 48 H LEU 48 6.501 3.572 -14.218 368 HA LEU 48 HA LEU 48 6.649 1.578 -12.228 369 1HB LEU 48 HB2 LEU 48 8.340 0.592 -13.521 370 2HB LEU 48 HB1 LEU 48 7.362 1.475 -14.709 371 HG LEU 48 HG LEU 48 9.877 2.672 -13.451 372 1HD1 LEU 48 HD1 LEU 48 9.603 1.077 -16.026 373 2HD1 LEU 48 HD1 LEU 48 10.482 0.568 -14.564 374 3HD1 LEU 48 HD1 LEU 48 11.055 1.964 -15.506 375 1HD2 LEU 48 HD2 LEU 48 9.803 4.012 -15.597 376 2HD2 LEU 48 HD2 LEU 48 8.434 4.319 -14.509 377 3HD2 LEU 48 HD2 LEU 48 8.218 3.280 -15.935 378 H LYS 49 H LYS 49 8.289 4.691 -12.458 379 HA LYS 49 HA LYS 49 10.503 4.135 -10.766 380 1HB LYS 49 H LYS 49 8.905 6.693 -11.215 381 2HB LYS 49 H LYS 49 10.462 6.608 -10.360 382 1HG LYS 49 H LYS 49 11.441 5.526 -12.453 383 2HG LYS 49 H LYS 49 9.909 5.899 -13.273 384 1HD LYS 49 H LYS 49 10.921 7.871 -13.803 385 2HD LYS 49 H LYS 49 10.504 8.338 -12.139 386 1HE LYS 49 H LYS 49 13.131 7.056 -13.028 387 2HE LYS 49 H LYS 49 12.898 8.776 -12.653 388 1HZ LYS 49 H LYS 49 12.305 8.137 -10.423 389 2HZ LYS 49 H LYS 49 13.819 7.605 -10.807 390 3HZ LYS 49 H LYS 49 12.556 6.545 -10.773 391 H GLN 50 H GLN 50 7.082 4.862 -10.113 392 HA GLN 50 HA GLN 50 7.566 5.066 -7.215 393 1HB GLN 50 HB2 GLN 50 5.055 5.198 -8.914 394 2HB GLN 50 HB1 GLN 50 5.115 5.464 -7.156 395 1HG GLN 50 HG2 GLN 50 6.947 7.246 -7.744 396 2HG GLN 50 HG1 GLN 50 6.265 7.159 -9.385 397 1HE2 GLN 50 HE2 GLN 50 4.391 8.273 -9.835 398 2HE2 GLN 50 HE2 GLN 50 3.500 9.190 -8.635 399 H LYS 51 H LYS 51 5.805 2.922 -9.548 400 HA LYS 51 HA LYS 51 4.813 1.090 -7.624 401 1HB LYS 51 H LYS 51 3.861 0.875 -9.724 402 2HB LYS 51 H LYS 51 5.412 1.002 -10.576 403 1HG LYS 51 H LYS 51 5.897 -1.240 -10.334 404 2HG LYS 51 H LYS 51 5.074 -1.357 -8.767 405 1HD LYS 51 H LYS 51 3.955 -2.608 -10.681 406 2HD LYS 51 H LYS 51 2.914 -1.489 -9.782 407 1HE LYS 51 H LYS 51 2.933 0.128 -11.522 408 2HE LYS 51 H LYS 51 4.358 -0.604 -12.299 409 1HZ LYS 51 H LYS 51 2.210 -1.070 -13.383 410 2HZ LYS 51 H LYS 51 3.062 -2.420 -12.976 411 3HZ LYS 51 H LYS 51 1.757 -1.967 -12.068 412 H GLN 52 H GLN 52 7.958 1.102 -9.417 413 HA GLN 52 HA GLN 52 8.961 -1.338 -8.408 414 1HB GLN 52 HB2 GLN 52 10.016 -0.065 -10.236 415 2HB GLN 52 HB1 GLN 52 10.439 1.243 -9.107 416 1HG GLN 52 HG2 GLN 52 11.330 -1.507 -8.331 417 2HG GLN 52 HG1 GLN 52 12.122 -0.803 -9.755 418 1HE2 GLN 52 HE2 GLN 52 11.793 -0.693 -6.280 419 2HE2 GLN 52 HE2 GLN 52 13.004 0.544 -5.982 420 H TRP 53 H TRP 53 9.259 2.014 -7.111 421 HA TRP 53 HA TRP 53 10.769 1.363 -4.811 422 1HB TRP 53 HB1 TRP 53 10.616 3.630 -5.442 423 2HB TRP 53 HB2 TRP 53 8.855 3.579 -5.548 424 HD1 TRP 53 HD1 TRP 53 11.558 3.312 -2.814 425 HE1 TRP 53 HE1 TRP 53 10.710 4.425 -0.651 426 HE3 TRP 53 HE3 TRP 53 6.847 4.576 -4.358 427 HZ2 TRP 53 HZ2 TRP 53 8.314 5.690 0.265 428 HZ3 TRP 53 HZ3 TRP 53 5.302 5.715 -2.804 429 HH2 TRP 53 HH2 TRP 53 6.037 6.310 -0.512 430 H LEU 54 H LEU 54 7.190 1.683 -5.226 431 HA LEU 54 HA LEU 54 6.458 1.076 -2.602 432 1HB LEU 54 HB2 LEU 54 5.113 0.533 -5.263 433 2HB LEU 54 HB1 LEU 54 4.332 0.149 -3.717 434 HG LEU 54 HG LEU 54 5.385 2.919 -4.433 435 1HD1 LEU 54 HD1 LEU 54 2.991 3.491 -4.806 436 2HD1 LEU 54 HD1 LEU 54 2.564 1.777 -4.592 437 3HD1 LEU 54 HD1 LEU 54 3.573 2.277 -5.969 438 1HD2 LEU 54 HD2 LEU 54 5.207 2.720 -2.059 439 2HD2 LEU 54 HD2 LEU 54 3.700 3.507 -2.567 440 3HD2 LEU 54 HD2 LEU 54 3.707 1.773 -2.172 441 H MET 55 H MET 55 7.244 -1.095 -5.315 442 HA MET 55 HA MET 55 6.291 -3.458 -4.098 443 1HB MET 55 HB1 MET 55 6.833 -2.982 -6.561 444 2HB MET 55 HB2 MET 55 8.534 -3.277 -6.149 445 1HG MET 55 HG2 MET 55 7.916 -5.518 -5.281 446 2HG MET 55 HG1 MET 55 6.228 -5.217 -5.726 447 1HE MET 55 HE1 MET 55 7.311 -7.983 -8.247 448 2HE MET 55 HE2 MET 55 6.139 -7.488 -7.005 449 3HE MET 55 HE3 MET 55 7.831 -7.803 -6.556 450 H THR 56 H THR 56 9.790 -2.422 -4.446 451 HA THR 56 HA THR 56 10.393 -4.555 -2.458 452 HB THR 56 HB THR 56 11.458 -4.901 -4.563 453 HG1 THR 56 HG1 THR 56 13.191 -3.923 -2.553 454 1HG2 THR 56 HG2 THR 56 13.163 -3.187 -5.384 455 2HG2 THR 56 HG2 THR 56 12.449 -2.041 -4.226 456 3HG2 THR 56 HG2 THR 56 11.462 -2.705 -5.550 457 H GLU 57 H GLU 57 10.018 -1.184 -2.421 458 HA GLU 57 HA GLU 57 12.103 -0.962 -0.277 459 1HB GLU 57 H GLU 57 11.234 0.912 -2.452 460 2HB GLU 57 H GLU 57 11.727 1.603 -0.895 461 1HG GLU 57 H GLU 57 13.888 0.740 -1.055 462 2HG GLU 57 H GLU 57 13.418 -0.502 -2.236 463 H ALA 58 H ALA 58 9.116 0.781 -1.293 464 HA ALA 58 HA ALA 58 8.643 1.771 1.293 465 1HB ALA 58 HB1 ALA 58 7.680 2.371 -1.121 466 2HB ALA 58 HB2 ALA 58 6.788 2.772 0.363 467 3HB ALA 58 HB3 ALA 58 6.341 1.336 -0.579 468 H LEU 59 H LEU 59 6.563 -0.675 -0.396 469 HA LEU 59 HA LEU 59 5.088 -1.349 1.909 470 1HB LEU 59 HB2 LEU 59 5.669 -2.960 -0.608 471 2HB LEU 59 HB1 LEU 59 4.412 -3.358 0.575 472 HG LEU 59 HG LEU 59 4.574 -0.729 -0.981 473 1HD1 LEU 59 HD1 LEU 59 2.627 -1.584 -2.217 474 2HD1 LEU 59 HD1 LEU 59 4.007 -2.693 -2.402 475 3HD1 LEU 59 HD1 LEU 59 2.682 -3.099 -1.285 476 1HD2 LEU 59 HD2 LEU 59 2.599 -1.846 1.040 477 2HD2 LEU 59 HD2 LEU 59 2.161 -0.559 -0.106 478 3HD2 LEU 59 HD2 LEU 59 3.452 -0.286 1.083 479 H VAL 60 H VAL 60 8.182 -2.626 0.705 480 HA VAL 60 HA VAL 60 8.279 -4.949 2.359 481 HB VAL 60 HB VAL 60 10.535 -3.222 1.244 482 1HG1 VAL 60 HG1 VAL 60 11.384 -4.773 2.929 483 2HG1 VAL 60 HG1 VAL 60 10.446 -6.109 2.220 484 3HG1 VAL 60 HG1 VAL 60 11.799 -5.391 1.310 485 1HG2 VAL 60 HG2 VAL 60 8.824 -5.458 0.127 486 2HG2 VAL 60 HG2 VAL 60 10.462 -5.151 -0.490 487 3HG2 VAL 60 HG2 VAL 60 9.221 -3.882 -0.594 488 H ASN 61 H ASN 61 9.145 -1.520 2.901 489 HA ASN 61 HA ASN 61 9.828 -2.202 5.734 490 1HB ASN 61 HB1 ASN 61 10.627 0.171 3.997 491 2HB ASN 61 HB2 ASN 61 11.036 -0.021 5.715 492 1HD2 ASN 61 HD2 ASN 61 11.611 -1.224 2.426 493 2HD2 ASN 61 HD2 ASN 61 13.051 -2.146 2.808 494 H ASN 62 H ASN 62 7.133 -2.186 5.091 495 HA ASN 62 HA ASN 62 6.199 0.451 6.141 496 1HB ASN 62 HB2 ASN 62 5.491 -0.095 3.811 497 2HB ASN 62 HB1 ASN 62 4.681 -1.544 4.434 498 1HD2 ASN 62 HD2 ASN 62 4.507 1.892 3.971 499 2HD2 ASN 62 HD2 ASN 62 2.951 2.145 4.728 500 HA PRO 63 HA PRO 63 5.333 -2.258 9.617 501 1HB PRO 63 HB2 PRO 63 4.135 -0.180 11.152 502 2HB PRO 63 HB1 PRO 63 5.830 -0.736 11.223 503 1HG PRO 63 HG2 PRO 63 4.735 1.727 10.048 504 2HG PRO 63 HG1 PRO 63 6.437 1.298 10.382 505 1HD PRO 63 HD2 PRO 63 5.121 1.356 7.838 506 2HD PRO 63 HD1 PRO 63 6.777 0.775 8.194 507 H LYS 64 H LYS 64 3.074 -0.759 7.525 508 HA LYS 64 HA LYS 64 0.787 -1.969 9.012 509 1HB LYS 64 H LYS 64 1.000 0.417 7.164 510 2HB LYS 64 H LYS 64 -0.557 -0.378 7.464 511 1HG LYS 64 H LYS 64 0.975 0.128 9.943 512 2HG LYS 64 H LYS 64 0.603 1.612 9.045 513 1HD LYS 64 H LYS 64 -1.202 1.092 10.650 514 2HD LYS 64 H LYS 64 -1.791 1.001 8.977 515 1HE LYS 64 H LYS 64 -2.652 -0.900 10.254 516 2HE LYS 64 H LYS 64 -1.506 -1.484 9.036 517 1HZ LYS 64 H LYS 64 0.161 -1.509 10.806 518 2HZ LYS 64 H LYS 64 -1.006 -1.121 11.903 519 3HZ LYS 64 H LYS 64 -1.095 -2.548 11.074 520 H ILE 65 H ILE 65 2.902 -2.788 6.625 521 HA ILE 65 HA ILE 65 0.818 -4.447 5.303 522 HB ILE 65 HB ILE 65 2.772 -2.556 3.985 523 1HG1 ILE 65 HG1 ILE 65 0.643 -2.872 2.299 524 2HG1 ILE 65 HG1 ILE 65 -0.135 -3.264 3.843 525 1HG2 ILE 65 HG2 ILE 65 3.539 -4.700 3.129 526 2HG2 ILE 65 HG2 ILE 65 1.863 -5.241 2.860 527 3HG2 ILE 65 HG2 ILE 65 2.547 -3.929 1.877 528 1HD1 ILE 65 HD1 ILE 65 1.467 -0.737 3.254 529 2HD1 ILE 65 HD1 ILE 65 -0.307 -0.849 3.327 530 3HD1 ILE 65 HD1 ILE 65 0.660 -1.120 4.790 531 H GLU 66 H GLU 66 1.452 -6.514 4.847 532 HA GLU 66 HA GLU 66 4.254 -7.282 5.492 533 1HB GLU 66 H GLU 66 2.496 -7.704 7.362 534 2HB GLU 66 H GLU 66 1.823 -8.933 6.269 535 1HG GLU 66 H GLU 66 3.384 -10.037 7.752 536 2HG GLU 66 H GLU 66 4.130 -9.969 6.143 537 H VAL 67 H VAL 67 5.110 -8.784 4.070 538 HA VAL 67 HA VAL 67 3.590 -9.233 1.623 539 HB VAL 67 HB VAL 67 6.370 -10.145 2.479 540 1HG1 VAL 67 HG1 VAL 67 5.488 -11.533 0.653 541 2HG1 VAL 67 HG1 VAL 67 4.970 -10.081 -0.236 542 3HG1 VAL 67 HG1 VAL 67 6.702 -10.408 0.004 543 1HG2 VAL 67 HG2 VAL 67 7.069 -8.240 0.982 544 2HG2 VAL 67 HG2 VAL 67 5.358 -7.763 0.866 545 3HG2 VAL 67 HG2 VAL 67 6.192 -7.709 2.435 546 H ILE 68 H ILE 68 2.378 -10.961 1.150 547 HA ILE 68 HA ILE 68 2.924 -13.538 2.534 548 HB ILE 68 HB ILE 68 0.188 -12.201 2.277 549 1HG1 ILE 68 HG1 ILE 68 1.967 -12.811 4.688 550 2HG1 ILE 68 HG1 ILE 68 1.496 -11.204 4.091 551 1HG2 ILE 68 HG2 ILE 68 -0.662 -14.192 3.425 552 2HG2 ILE 68 HG2 ILE 68 0.208 -14.703 1.965 553 3HG2 ILE 68 HG2 ILE 68 0.982 -14.858 3.560 554 1HD1 ILE 68 HD1 ILE 68 -0.256 -13.306 5.407 555 2HD1 ILE 68 HD1 ILE 68 -0.944 -11.958 4.468 556 3HD1 ILE 68 HD1 ILE 68 0.034 -11.628 5.917 557 H ASP 69 H ASP 69 3.326 -14.966 0.962 558 HA ASP 69 HA ASP 69 3.323 -16.017 -1.067 559 1HB ASP 69 H ASP 69 1.004 -16.516 -0.241 560 2HB ASP 69 H ASP 69 0.412 -15.114 -1.155 561 H GLY 70 H GLY 70 4.433 -13.478 -1.174 562 1HA GLY 70 HA1 GLY 70 5.241 -12.113 -2.863 563 2HA GLY 70 HA2 GLY 70 4.088 -12.847 -3.997 564 H LYS 71 H LYS 71 1.663 -12.337 -2.566 565 HA LYS 71 HA LYS 71 1.168 -9.632 -3.394 566 1HB LYS 71 H LYS 71 -0.526 -11.490 -1.694 567 2HB LYS 71 H LYS 71 -1.095 -10.073 -2.585 568 1HG LYS 71 H LYS 71 0.023 -11.360 -4.638 569 2HG LYS 71 H LYS 71 -0.234 -12.781 -3.604 570 1HD LYS 71 H LYS 71 -2.446 -10.770 -4.197 571 2HD LYS 71 H LYS 71 -2.140 -12.179 -5.236 572 1HE LYS 71 H LYS 71 -2.687 -13.719 -3.528 573 2HE LYS 71 H LYS 71 -2.507 -12.506 -2.245 574 1HZ LYS 71 H LYS 71 -4.811 -13.074 -2.840 575 2HZ LYS 71 H LYS 71 -4.583 -12.362 -4.311 576 3HZ LYS 71 H LYS 71 -4.470 -11.460 -2.928 577 H TYR 72 H TYR 72 -0.023 -8.074 -1.831 578 HA TYR 72 HA TYR 72 1.596 -7.887 0.676 579 1HB TYR 72 HB2 TYR 72 0.323 -5.731 -1.046 580 2HB TYR 72 HB1 TYR 72 1.213 -5.450 0.459 581 HD1 TYR 72 HD1 TYR 72 3.654 -5.758 0.565 582 HD2 TYR 72 HD2 TYR 72 1.482 -6.351 -3.108 583 HE1 TYR 72 HE1 TYR 72 5.787 -5.708 -0.705 584 HE2 TYR 72 HE2 TYR 72 3.619 -6.310 -4.374 585 HH TYR 72 HH TYR 72 6.756 -5.673 -2.795 586 H ALA 73 H ALA 73 0.547 -8.044 2.549 587 HA ALA 73 HA ALA 73 -2.429 -7.757 2.560 588 1HB ALA 73 HB1 ALA 73 -0.520 -9.458 4.215 589 2HB ALA 73 HB2 ALA 73 -1.731 -10.031 3.048 590 3HB ALA 73 HB3 ALA 73 -2.257 -9.279 4.568 591 H PHE 74 H PHE 74 -3.252 -6.134 3.763 592 HA PHE 74 HA PHE 74 -1.591 -4.315 5.199 593 1HB PHE 74 HB2 PHE 74 -3.641 -3.518 4.341 594 2HB PHE 74 HB1 PHE 74 -4.567 -4.836 5.063 595 HD1 PHE 74 HD1 PHE 74 -5.127 -4.827 7.450 596 HD2 PHE 74 HD2 PHE 74 -3.008 -1.548 5.650 597 HE1 PHE 74 HE1 PHE 74 -5.714 -3.402 9.385 598 HE2 PHE 74 HE2 PHE 74 -3.577 -0.120 7.599 599 HZ PHE 74 HZ PHE 74 -4.955 -1.048 9.462 600 H LYS 75 H LYS 75 -0.639 -4.584 7.133 601 HA LYS 75 HA LYS 75 -1.245 -6.899 8.770 602 1HB LYS 75 H LYS 75 1.044 -5.929 8.366 603 2HB LYS 75 H LYS 75 0.574 -4.529 9.354 604 1HG LYS 75 H LYS 75 0.559 -5.758 11.332 605 2HG LYS 75 H LYS 75 0.146 -7.276 10.509 606 1HD LYS 75 H LYS 75 2.488 -7.297 11.371 607 2HD LYS 75 H LYS 75 2.417 -7.467 9.606 608 1HE LYS 75 H LYS 75 4.179 -5.892 10.145 609 2HE LYS 75 H LYS 75 2.843 -4.992 9.403 610 1HZ LYS 75 H LYS 75 3.516 -3.798 11.255 611 2HZ LYS 75 H LYS 75 3.566 -5.126 12.236 612 3HZ LYS 75 H LYS 75 2.117 -4.536 11.718 613 HA PRO 76 HA PRO 76 -4.465 -4.595 10.879 614 1HB PRO 76 HB2 PRO 76 -4.918 -6.671 12.786 615 2HB PRO 76 HB1 PRO 76 -5.843 -6.347 11.293 616 1HG PRO 76 HG2 PRO 76 -3.931 -8.499 11.840 617 2HG PRO 76 HG1 PRO 76 -5.022 -8.297 10.440 618 1HD PRO 76 HD1 PRO 76 -2.181 -7.889 10.524 619 2HD PRO 76 HD2 PRO 76 -3.290 -7.574 9.161 620 H LYS 77 H LYS 77 -4.579 -3.363 12.769 621 HA LYS 77 HA LYS 77 -2.147 -3.264 14.395 622 1HB LYS 77 H LYS 77 -3.150 -1.164 13.700 623 2HB LYS 77 H LYS 77 -4.735 -1.651 14.338 624 1HG LYS 77 H LYS 77 -3.658 -0.084 15.885 625 2HG LYS 77 H LYS 77 -3.785 -1.681 16.648 626 1HD LYS 77 H LYS 77 -1.422 -2.157 16.069 627 2HD LYS 77 H LYS 77 -1.291 -0.575 15.267 628 1HE LYS 77 H LYS 77 -2.022 -0.959 18.205 629 2HE LYS 77 H LYS 77 -0.374 -0.639 17.626 630 1HZ LYS 77 H LYS 77 -1.438 1.365 18.302 631 2HZ LYS 77 H LYS 77 -1.193 1.408 16.671 632 3HZ LYS 77 H LYS 77 -2.701 1.119 17.271 633 H TYR 78 H TYR 78 -5.589 -4.156 14.712 634 HA TYR 78 HA TYR 78 -4.970 -5.880 16.985 635 1HB TYR 78 HB2 TYR 78 -5.968 -3.200 17.403 636 2HB TYR 78 HB1 TYR 78 -7.242 -4.354 17.826 637 HD1 TYR 78 HD1 TYR 78 -4.318 -2.686 18.989 638 HD2 TYR 78 HD2 TYR 78 -6.518 -6.372 19.349 639 HE1 TYR 78 HE1 TYR 78 -3.217 -3.130 21.170 640 HE2 TYR 78 HE2 TYR 78 -5.416 -6.815 21.531 641 HH TYR 78 HH TYR 78 -2.997 -4.578 22.932 642 H ASN 79 H ASN 79 -7.757 -4.195 15.436 643 HA ASN 79 HA ASN 79 -9.576 -4.962 14.305 644 1HB ASN 79 HB1 ASN 79 -7.861 -6.374 13.087 645 2HB ASN 79 HB2 ASN 79 -8.258 -7.702 14.194 646 1HD2 ASN 79 HD2 ASN 79 -10.401 -8.622 14.158 647 2HD2 ASN 79 HD2 ASN 79 -11.430 -8.428 12.755 648 H VAL 80 H VAL 80 -8.598 -7.853 16.258 649 HA VAL 80 HA VAL 80 -11.304 -8.321 17.122 650 HB VAL 80 HB VAL 80 -8.638 -9.366 18.187 651 1HG1 VAL 80 HG1 VAL 80 -10.075 -11.249 19.035 652 2HG1 VAL 80 HG1 VAL 80 -11.515 -10.319 18.560 653 3HG1 VAL 80 HG1 VAL 80 -10.427 -9.696 19.825 654 1HG2 VAL 80 HG2 VAL 80 -10.609 -10.464 16.129 655 2HG2 VAL 80 HG2 VAL 80 -9.226 -11.368 16.791 656 3HG2 VAL 80 HG2 VAL 80 -8.948 -9.908 15.815 657 H ARG 81 H ARG 81 -12.384 -7.550 18.866 658 HA ARG 81 HA ARG 81 -11.015 -6.548 21.212 659 1HB ARG 81 H ARG 81 -10.743 -4.597 19.713 660 2HB ARG 81 H ARG 81 -12.484 -4.610 19.366 661 1HG ARG 81 H ARG 81 -11.879 -2.898 21.077 662 2HG ARG 81 H ARG 81 -13.003 -4.115 21.717 663 1HD ARG 81 H ARG 81 -11.061 -3.511 23.256 664 2HD ARG 81 H ARG 81 -11.251 -5.239 22.919 665 HE ARG 81 H ARG 81 -9.222 -5.249 21.789 666 1HH1 ARG 81 H ARG 81 -10.324 -1.910 22.235 667 2HH1 ARG 81 H ARG 81 -8.786 -1.203 21.803 668 1HH2 ARG 81 H ARG 81 -7.197 -4.308 21.227 669 2HH2 ARG 81 H ARG 81 -7.009 -2.570 21.204 Start of MODEL 17 1 1H ALA 1 H1 ALA 1 20.704 9.478 6.654 2 2H ALA 1 H2 ALA 1 20.331 10.889 7.425 3 3H ALA 1 H3 ALA 1 21.009 10.924 5.920 4 HA ALA 1 HA ALA 1 18.366 9.834 6.570 5 1HB ALA 1 HB1 ALA 1 19.130 12.396 5.109 6 2HB ALA 1 HB2 ALA 1 17.477 11.787 5.367 7 3HB ALA 1 HB3 ALA 1 18.462 12.304 6.757 8 H LEU 2 H LEU 2 17.054 9.599 4.485 9 HA LEU 2 HA LEU 2 18.609 9.129 2.054 10 1HB LEU 2 HB1 LEU 2 17.908 6.734 1.899 11 2HB LEU 2 HB2 LEU 2 19.053 7.033 3.223 12 HG LEU 2 HG LEU 2 16.223 7.344 4.045 13 1HD1 LEU 2 HD1 LEU 2 15.913 5.549 2.380 14 2HD1 LEU 2 HD1 LEU 2 17.245 4.625 3.116 15 3HD1 LEU 2 HD1 LEU 2 15.745 4.908 4.032 16 1HD2 LEU 2 HD2 LEU 2 18.524 5.603 5.039 17 2HD2 LEU 2 HD2 LEU 2 17.009 5.933 5.912 18 3HD2 LEU 2 HD2 LEU 2 18.160 7.252 5.602 19 H SER 3 H SER 3 17.144 8.423 0.249 20 HA SER 3 HA SER 3 15.301 8.846 -1.038 21 1HB SER 3 HB2 SER 3 14.487 7.078 0.706 22 2HB SER 3 HB1 SER 3 13.581 8.429 1.426 23 HG SER 3 HG SER 3 13.463 7.634 -1.302 24 H GLY 4 H GLY 4 16.585 11.138 -0.070 25 1HA GLY 4 HA1 GLY 4 14.786 12.997 1.183 26 2HA GLY 4 HA2 GLY 4 16.294 13.384 0.324 27 H SER 5 H SER 5 12.927 13.679 0.260 28 HA SER 5 HA SER 5 12.981 14.876 -2.403 29 1HB SER 5 HB2 SER 5 11.519 12.277 -1.816 30 2HB SER 5 HB1 SER 5 10.940 13.402 -3.067 31 HG SER 5 HG SER 5 13.639 12.588 -2.995 32 H SER 6 H SER 6 10.811 15.873 -2.894 33 HA SER 6 HA SER 6 9.694 17.041 -0.442 34 1HB SER 6 HB2 SER 6 10.242 18.405 -2.467 35 2HB SER 6 HB1 SER 6 9.016 17.500 -3.385 36 HG SER 6 HG SER 6 8.597 19.102 -1.072 37 H GLY 7 H GLY 7 7.125 17.152 -2.446 38 1HA GLY 7 HA2 GLY 7 5.657 15.088 -1.038 39 2HA GLY 7 HA1 GLY 7 5.060 16.114 -2.363 40 H TYR 8 H TYR 8 4.025 13.969 -2.991 41 HA TYR 8 HA TYR 8 3.849 12.284 -4.517 42 1HB TYR 8 HB1 TYR 8 4.760 13.127 -6.379 43 2HB TYR 8 HB2 TYR 8 6.095 13.878 -5.512 44 HD1 TYR 8 HD1 TYR 8 8.159 12.444 -4.944 45 HD2 TYR 8 HD2 TYR 8 5.092 11.195 -7.701 46 HE1 TYR 8 HE1 TYR 8 9.726 10.803 -5.943 47 HE2 TYR 8 HE2 TYR 8 6.673 9.567 -8.708 48 HH TYR 8 HH TYR 8 10.028 9.182 -7.529 49 H LYS 9 H LYS 9 4.181 10.073 -4.553 50 HA LYS 9 HA LYS 9 4.974 8.039 -3.915 51 1HB LYS 9 H LYS 9 7.080 7.735 -4.370 52 2HB LYS 9 H LYS 9 7.279 9.485 -4.454 53 1HG LYS 9 H LYS 9 8.069 9.592 -2.187 54 2HG LYS 9 H LYS 9 7.605 7.898 -1.884 55 1HD LYS 9 H LYS 9 9.220 7.080 -3.508 56 2HD LYS 9 H LYS 9 9.543 8.727 -4.088 57 1HE LYS 9 H LYS 9 11.383 8.278 -2.727 58 2HE LYS 9 H LYS 9 10.318 9.210 -1.665 59 1HZ LYS 9 H LYS 9 10.575 6.288 -1.725 60 2HZ LYS 9 H LYS 9 9.556 7.133 -0.743 61 3HZ LYS 9 H LYS 9 11.192 7.294 -0.569 62 H PHE 10 H PHE 10 5.755 10.576 -1.467 63 HA PHE 10 HA PHE 10 5.203 8.704 0.697 64 1HB PHE 10 HB2 PHE 10 5.254 11.740 0.743 65 2HB PHE 10 HB1 PHE 10 5.425 10.642 2.127 66 HD1 PHE 10 HD1 PHE 10 7.298 12.857 0.497 67 HD2 PHE 10 HD2 PHE 10 7.275 8.607 1.151 68 HE1 PHE 10 HE1 PHE 10 9.745 12.775 0.101 69 HE2 PHE 10 HE2 PHE 10 9.696 8.530 0.745 70 HZ PHE 10 HZ PHE 10 10.956 10.612 0.235 71 H GLY 11 H GLY 11 3.442 11.426 -0.868 72 1HA GLY 11 HA1 GLY 11 1.089 11.239 0.713 73 2HA GLY 11 HA2 GLY 11 1.205 11.941 -0.916 74 H VAL 12 H VAL 12 2.016 9.696 -2.412 75 HA VAL 12 HA VAL 12 -0.502 8.410 -2.822 76 HB VAL 12 HB VAL 12 2.242 7.546 -3.840 77 1HG1 VAL 12 HG1 VAL 12 0.390 5.907 -4.164 78 2HG1 VAL 12 HG1 VAL 12 -0.587 7.179 -4.934 79 3HG1 VAL 12 HG1 VAL 12 0.910 6.613 -5.711 80 1HG2 VAL 12 HG2 VAL 12 0.235 9.583 -4.914 81 2HG2 VAL 12 HG2 VAL 12 1.905 9.907 -4.386 82 3HG2 VAL 12 HG2 VAL 12 1.607 8.940 -5.848 83 H LEU 13 H LEU 13 2.577 7.331 -1.256 84 HA LEU 13 HA LEU 13 1.768 4.665 -0.748 85 1HB LEU 13 HB2 LEU 13 4.075 5.340 -0.497 86 2HB LEU 13 HB1 LEU 13 3.647 6.536 0.746 87 HG LEU 13 HG LEU 13 2.877 4.688 2.240 88 1HD1 LEU 13 HD1 LEU 13 3.853 2.954 -0.072 89 2HD1 LEU 13 HD1 LEU 13 2.215 3.003 0.620 90 3HD1 LEU 13 HD1 LEU 13 3.559 2.336 1.570 91 1HD2 LEU 13 HD2 LEU 13 5.114 3.791 2.747 92 2HD2 LEU 13 HD2 LEU 13 5.694 4.295 1.143 93 3HD2 LEU 13 HD2 LEU 13 5.216 5.520 2.341 94 H ALA 14 H ALA 14 1.413 7.656 1.252 95 HA ALA 14 HA ALA 14 0.131 6.421 3.465 96 1HB ALA 14 HB1 ALA 14 -0.217 9.230 2.324 97 2HB ALA 14 HB2 ALA 14 -0.681 8.707 3.959 98 3HB ALA 14 HB3 ALA 14 1.033 8.722 3.484 99 H LYS 15 H LYS 15 -1.195 7.806 0.407 100 HA LYS 15 HA LYS 15 -3.938 7.459 1.063 101 1HB LYS 15 H LYS 15 -2.991 8.823 -0.832 102 2HB LYS 15 H LYS 15 -2.650 7.304 -1.693 103 1HG LYS 15 H LYS 15 -5.007 6.721 -1.732 104 2HG LYS 15 H LYS 15 -5.412 8.087 -0.665 105 1HD LYS 15 H LYS 15 -4.816 9.698 -2.367 106 2HD LYS 15 H LYS 15 -4.094 8.436 -3.390 107 1HE LYS 15 H LYS 15 -6.319 9.057 -4.239 108 2HE LYS 15 H LYS 15 -6.321 7.378 -3.662 109 1HZ LYS 15 H LYS 15 -8.241 8.601 -2.927 110 2HZ LYS 15 H LYS 15 -7.325 8.127 -1.641 111 3HZ LYS 15 H LYS 15 -7.292 9.698 -2.142 112 H ILE 16 H ILE 16 -1.553 5.274 -0.533 113 HA ILE 16 HA ILE 16 -3.370 3.161 -1.106 114 HB ILE 16 HB ILE 16 -0.368 3.275 -0.637 115 1HG1 ILE 16 HG1 ILE 16 -1.981 2.636 -3.146 116 2HG1 ILE 16 HG1 ILE 16 -1.491 4.287 -2.708 117 1HG2 ILE 16 HG2 ILE 16 -0.354 0.921 -1.574 118 2HG2 ILE 16 HG2 ILE 16 -1.045 1.041 0.054 119 3HG2 ILE 16 HG2 ILE 16 -2.117 0.882 -1.357 120 1HD1 ILE 16 HD1 ILE 16 0.908 3.448 -2.600 121 2HD1 ILE 16 HD1 ILE 16 0.330 1.923 -3.310 122 3HD1 ILE 16 HD1 ILE 16 0.179 3.440 -4.222 123 H VAL 17 H VAL 17 -1.294 3.835 1.765 124 HA VAL 17 HA VAL 17 -1.926 1.496 3.223 125 HB VAL 17 HB VAL 17 -1.050 4.300 3.969 126 1HG1 VAL 17 HG1 VAL 17 -0.690 3.383 6.300 127 2HG1 VAL 17 HG1 VAL 17 -2.394 3.643 5.874 128 3HG1 VAL 17 HG1 VAL 17 -1.714 1.996 5.854 129 1HG2 VAL 17 HG2 VAL 17 1.018 3.142 4.556 130 2HG2 VAL 17 HG2 VAL 17 0.251 1.561 4.274 131 3HG2 VAL 17 HG2 VAL 17 0.536 2.669 2.911 132 H ASN 18 H ASN 18 -3.528 4.739 3.205 133 HA ASN 18 HA ASN 18 -5.508 4.084 5.142 134 1HB ASN 18 HB2 ASN 18 -5.209 6.160 2.976 135 2HB ASN 18 HB1 ASN 18 -6.781 5.966 3.779 136 1HD2 ASN 18 HD2 ASN 18 -3.359 6.806 4.242 137 2HD2 ASN 18 HD2 ASN 18 -3.568 7.581 5.799 138 H TYR 19 H TYR 19 -5.470 3.772 1.548 139 HA TYR 19 HA TYR 19 -8.168 2.921 1.270 140 1HB TYR 19 HB1 TYR 19 -7.319 3.326 -0.806 141 2HB TYR 19 HB2 TYR 19 -5.675 2.857 -0.343 142 HD1 TYR 19 HD1 TYR 19 -9.056 1.252 -0.830 143 HD2 TYR 19 HD2 TYR 19 -4.787 0.923 -1.293 144 HE1 TYR 19 HE1 TYR 19 -9.339 -0.966 -1.909 145 HE2 TYR 19 HE2 TYR 19 -5.080 -1.289 -2.370 146 HH TYR 19 HH TYR 19 -6.577 -2.816 -3.212 147 H MET 20 H MET 20 -5.143 0.938 1.407 148 HA MET 20 HA MET 20 -6.381 -1.567 1.451 149 1HB MET 20 HB2 MET 20 -3.820 -0.650 1.389 150 2HB MET 20 HB1 MET 20 -3.897 -1.203 3.078 151 1HG MET 20 HG2 MET 20 -4.868 -3.375 2.204 152 2HG MET 20 HG1 MET 20 -4.520 -2.794 0.568 153 1HE MET 20 HE1 MET 20 -1.606 -1.247 1.259 154 2HE MET 20 HE2 MET 20 -0.625 -2.548 0.544 155 3HE MET 20 HE3 MET 20 -2.158 -2.066 -0.221 156 H LYS 21 H LYS 21 -5.668 0.707 4.137 157 HA LYS 21 HA LYS 21 -6.325 -1.051 6.272 158 1HB LYS 21 H LYS 21 -5.211 1.055 6.710 159 2HB LYS 21 H LYS 21 -6.541 1.972 5.974 160 1HG LYS 21 H LYS 21 -8.085 1.220 7.732 161 2HG LYS 21 H LYS 21 -6.809 0.210 8.452 162 1HD LYS 21 H LYS 21 -5.813 1.993 9.462 163 2HD LYS 21 H LYS 21 -6.034 3.042 8.041 164 1HE LYS 21 H LYS 21 -8.442 3.296 8.632 165 2HE LYS 21 H LYS 21 -8.172 2.305 10.085 166 1HZ LYS 21 H LYS 21 -6.604 3.956 10.827 167 2HZ LYS 21 H LYS 21 -8.087 4.633 10.577 168 3HZ LYS 21 H LYS 21 -6.875 4.875 9.484 169 H THR 22 H THR 22 -8.326 1.285 4.389 170 HA THR 22 HA THR 22 -10.757 0.756 5.769 171 HB THR 22 HB THR 22 -10.358 1.643 2.876 172 HG1 THR 22 HG1 THR 22 -9.227 2.984 4.268 173 1HG2 THR 22 HG2 THR 22 -12.680 1.035 3.392 174 2HG2 THR 22 HG2 THR 22 -12.632 2.012 4.879 175 3HG2 THR 22 HG2 THR 22 -12.537 2.805 3.289 176 H ARG 23 H ARG 23 -9.316 -0.685 2.803 177 HA ARG 23 HA ARG 23 -11.512 -2.349 2.126 178 1HB ARG 23 H ARG 23 -9.182 -1.697 0.931 179 2HB ARG 23 H ARG 23 -8.693 -3.265 1.612 180 1HG ARG 23 H ARG 23 -11.179 -3.858 0.569 181 2HG ARG 23 H ARG 23 -10.591 -2.641 -0.583 182 1HD ARG 23 H ARG 23 -8.579 -3.932 -1.011 183 2HD ARG 23 H ARG 23 -8.970 -5.062 0.298 184 HE ARG 23 H ARG 23 -10.618 -6.085 -1.027 185 1HH1 ARG 23 H ARG 23 -9.027 -3.418 -2.762 186 2HH1 ARG 23 H ARG 23 -9.787 -3.804 -4.293 187 1HH2 ARG 23 H ARG 23 -11.632 -6.538 -2.999 188 2HH2 ARG 23 H ARG 23 -11.207 -5.631 -4.443 189 H HIS 24 H HIS 24 -8.575 -2.973 4.087 190 HA HIS 24 HA HIS 24 -9.124 -5.692 4.697 191 1HB HIS 24 HB1 HIS 24 -6.921 -4.654 4.907 192 2HB HIS 24 HB2 HIS 24 -7.531 -3.535 6.136 193 HD1 HIS 24 HD1 HIS 24 -6.176 -6.991 5.662 194 HD2 HIS 24 HD2 HIS 24 -8.010 -4.767 8.698 195 HE1 HIS 24 HE1 HIS 24 -5.830 -8.235 7.854 196 H GLN 25 H GLN 25 -9.622 -2.698 6.615 197 HA GLN 25 HA GLN 25 -10.905 -3.894 8.817 198 1HB GLN 25 HB2 GLN 25 -9.921 -1.551 8.582 199 2HB GLN 25 HB1 GLN 25 -11.393 -1.101 7.696 200 1HG GLN 25 HG2 GLN 25 -11.527 -0.491 10.094 201 2HG GLN 25 HG1 GLN 25 -12.772 -1.678 9.647 202 1HE2 GLN 25 HE2 GLN 25 -9.282 -1.813 10.613 203 2HE2 GLN 25 HE2 GLN 25 -9.500 -3.032 11.849 204 H ARG 26 H ARG 26 -12.156 -2.875 5.637 205 HA ARG 26 HA ARG 26 -14.936 -2.974 6.315 206 1HB ARG 26 H ARG 26 -14.174 -1.786 4.344 207 2HB ARG 26 H ARG 26 -13.450 -3.261 3.673 208 1HG ARG 26 H ARG 26 -15.657 -4.297 3.454 209 2HG ARG 26 H ARG 26 -16.422 -2.900 4.249 210 1HD ARG 26 H ARG 26 -15.699 -1.431 2.420 211 2HD ARG 26 H ARG 26 -14.830 -2.780 1.651 212 HE ARG 26 H ARG 26 -17.574 -3.496 2.035 213 1HH1 ARG 26 H ARG 26 -15.515 -1.365 0.097 214 2HH1 ARG 26 H ARG 26 -16.574 -1.378 -1.294 215 1HH2 ARG 26 H ARG 26 -18.970 -3.514 0.195 216 2HH2 ARG 26 H ARG 26 -18.552 -2.595 -1.233 217 H GLY 27 H GLY 27 -12.760 -5.398 4.683 218 1HA GLY 27 HA2 GLY 27 -13.848 -7.634 6.006 219 2HA GLY 27 HA1 GLY 27 -14.804 -7.403 4.527 220 H ASP 28 H ASP 28 -12.550 -6.320 2.933 221 HA ASP 28 HA ASP 28 -11.466 -8.875 2.061 222 1HB ASP 28 H ASP 28 -11.121 -5.988 1.194 223 2HB ASP 28 H ASP 28 -10.188 -7.309 0.464 224 H THR 29 H THR 29 -10.481 -9.232 4.321 225 HA THR 29 HA THR 29 -8.104 -7.699 4.965 226 HB THR 29 HB THR 29 -7.837 -9.420 6.745 227 HG1 THR 29 HG1 THR 29 -9.522 -10.999 6.858 228 1HG2 THR 29 HG2 THR 29 -10.676 -8.361 6.403 229 2HG2 THR 29 HG2 THR 29 -9.312 -7.497 7.144 230 3HG2 THR 29 HG2 THR 29 -9.969 -8.950 7.925 231 H HIS 30 H HIS 30 -8.814 -10.265 2.779 232 HA HIS 30 HA HIS 30 -6.453 -11.808 2.931 233 1HB HIS 30 HB2 HIS 30 -7.204 -12.803 0.956 234 2HB HIS 30 HB1 HIS 30 -8.702 -12.188 1.669 235 HD1 HIS 30 HD1 HIS 30 -8.686 -9.240 0.773 236 HD2 HIS 30 HD2 HIS 30 -7.564 -12.401 -1.734 237 HE1 HIS 30 HE1 HIS 30 -8.945 -8.455 -1.632 238 HA PRO 31 HA PRO 31 -3.325 -9.260 1.142 239 1HB PRO 31 HB2 PRO 31 -2.135 -11.317 -0.496 240 2HB PRO 31 HB1 PRO 31 -1.586 -10.732 1.096 241 1HG PRO 31 HG2 PRO 31 -2.846 -13.254 0.457 242 2HG PRO 31 HG1 PRO 31 -2.308 -12.667 2.055 243 1HD PRO 31 HD2 PRO 31 -5.015 -12.897 1.035 244 2HD PRO 31 HD1 PRO 31 -4.473 -12.389 2.661 245 H LEU 32 H LEU 32 -2.613 -8.279 -0.872 246 HA LEU 32 HA LEU 32 -4.217 -8.994 -3.280 247 1HB LEU 32 HB2 LEU 32 -3.984 -6.325 -1.858 248 2HB LEU 32 HB1 LEU 32 -4.256 -6.395 -3.609 249 HG LEU 32 HG LEU 32 -6.041 -7.626 -1.456 250 1HD1 LEU 32 HD1 LEU 32 -6.148 -5.140 -1.701 251 2HD1 LEU 32 HD1 LEU 32 -6.495 -5.346 -3.438 252 3HD1 LEU 32 HD1 LEU 32 -7.652 -5.934 -2.219 253 1HD2 LEU 32 HD2 LEU 32 -6.285 -9.083 -3.313 254 2HD2 LEU 32 HD2 LEU 32 -7.573 -7.887 -3.563 255 3HD2 LEU 32 HD2 LEU 32 -6.062 -7.767 -4.484 256 H THR 33 H THR 33 -3.162 -8.572 -5.255 257 HA THR 33 HA THR 33 -0.270 -8.453 -5.168 258 HB THR 33 HB THR 33 -0.436 -8.448 -7.618 259 HG1 THR 33 HG1 THR 33 -2.823 -8.507 -8.302 260 1HG2 THR 33 HG2 THR 33 -0.814 -10.610 -6.551 261 2HG2 THR 33 HG2 THR 33 -1.895 -10.457 -7.949 262 3HG2 THR 33 HG2 THR 33 -2.531 -10.238 -6.304 263 H LEU 34 H LEU 34 0.882 -6.756 -6.632 264 HA LEU 34 HA LEU 34 0.518 -4.183 -5.509 265 1HB LEU 34 HB2 LEU 34 2.559 -5.333 -6.740 266 2HB LEU 34 HB1 LEU 34 1.835 -4.633 -8.201 267 HG LEU 34 HG LEU 34 3.543 -3.125 -7.282 268 1HD1 LEU 34 HD1 LEU 34 0.890 -1.851 -6.592 269 2HD1 LEU 34 HD1 LEU 34 2.321 -1.114 -7.343 270 3HD1 LEU 34 HD1 LEU 34 1.321 -2.256 -8.271 271 1HD2 LEU 34 HD2 LEU 34 3.127 -3.993 -4.867 272 2HD2 LEU 34 HD2 LEU 34 1.867 -2.741 -4.790 273 3HD2 LEU 34 HD2 LEU 34 3.558 -2.282 -5.088 274 H ASP 35 H ASP 35 -0.249 -5.411 -8.825 275 HA ASP 35 HA ASP 35 -1.445 -3.100 -9.836 276 1HB ASP 35 H ASP 35 -2.176 -6.010 -10.353 277 2HB ASP 35 H ASP 35 -2.599 -4.633 -11.395 278 H GLU 36 H GLU 36 -3.086 -5.855 -8.127 279 HA GLU 36 HA GLU 36 -5.705 -4.871 -8.200 280 1HB GLU 36 H GLU 36 -4.195 -6.533 -6.167 281 2HB GLU 36 H GLU 36 -5.921 -6.143 -5.971 282 1HG GLU 36 H GLU 36 -6.456 -7.168 -8.119 283 2HG GLU 36 H GLU 36 -4.738 -7.449 -8.460 284 H ILE 37 H ILE 37 -3.027 -3.973 -5.990 285 HA ILE 37 HA ILE 37 -4.686 -2.354 -4.281 286 HB ILE 37 HB ILE 37 -1.708 -2.643 -4.751 287 1HG1 ILE 37 HG1 ILE 37 -3.269 -2.921 -2.170 288 2HG1 ILE 37 HG1 ILE 37 -3.257 -4.232 -3.368 289 1HG2 ILE 37 HG2 ILE 37 -1.430 -1.043 -2.796 290 2HG2 ILE 37 HG2 ILE 37 -1.935 -0.277 -4.315 291 3HG2 ILE 37 HG2 ILE 37 -3.126 -0.572 -3.029 292 1HD1 ILE 37 HD1 ILE 37 -0.773 -4.265 -3.304 293 2HD1 ILE 37 HD1 ILE 37 -0.795 -2.984 -2.070 294 3HD1 ILE 37 HD1 ILE 37 -1.481 -4.583 -1.703 295 H LEU 38 H LEU 38 -2.506 -1.603 -7.081 296 HA LEU 38 HA LEU 38 -2.794 1.190 -7.056 297 1HB LEU 38 HB2 LEU 38 -2.606 -0.648 -9.482 298 2HB LEU 38 HB1 LEU 38 -2.302 1.092 -9.473 299 HG LEU 38 HG LEU 38 -0.716 -1.016 -7.992 300 1HD1 LEU 38 HD1 LEU 38 0.015 0.860 -10.269 301 2HD1 LEU 38 HD1 LEU 38 1.095 -0.329 -9.506 302 3HD1 LEU 38 HD1 LEU 38 -0.318 -0.882 -10.433 303 1HD2 LEU 38 HD2 LEU 38 0.825 0.938 -7.471 304 2HD2 LEU 38 HD2 LEU 38 -0.722 0.965 -6.596 305 3HD2 LEU 38 HD2 LEU 38 -0.479 2.016 -8.011 306 H ASP 39 H ASP 39 -4.809 -1.231 -8.822 307 HA ASP 39 HA ASP 39 -6.498 0.384 -10.244 308 1HB ASP 39 H ASP 39 -6.906 -2.211 -8.763 309 2HB ASP 39 H ASP 39 -8.293 -1.434 -9.555 310 H GLU 40 H GLU 40 -7.397 -0.774 -6.936 311 HA GLU 40 HA GLU 40 -9.663 0.869 -6.679 312 1HB GLU 40 H GLU 40 -7.955 -0.795 -4.930 313 2HB GLU 40 H GLU 40 -8.768 0.543 -4.088 314 1HG GLU 40 H GLU 40 -10.230 -1.398 -4.040 315 2HG GLU 40 H GLU 40 -10.941 -0.180 -5.114 316 H THR 41 H THR 41 -6.267 1.526 -5.604 317 HA THR 41 HA THR 41 -6.966 4.087 -4.450 318 HB THR 41 HB THR 41 -4.165 3.528 -5.295 319 HG1 THR 41 HG1 THR 41 -4.713 1.499 -4.650 320 1HG2 THR 41 HG2 THR 41 -3.705 4.494 -3.141 321 2HG2 THR 41 HG2 THR 41 -5.369 4.218 -2.585 322 3HG2 THR 41 HG2 THR 41 -5.038 5.450 -3.818 323 H GLN 42 H GLN 42 -6.821 3.097 -7.687 324 HA GLN 42 HA GLN 42 -6.950 4.277 -9.640 325 1HB GLN 42 HB2 GLN 42 -6.869 6.904 -8.128 326 2HB GLN 42 HB1 GLN 42 -7.701 6.509 -9.648 327 1HG GLN 42 HG1 GLN 42 -9.136 4.883 -8.268 328 2HG GLN 42 HG2 GLN 42 -8.452 5.662 -6.825 329 1HE2 GLN 42 HE2 GLN 42 -8.384 8.265 -7.228 330 2HE2 GLN 42 HE2 GLN 42 -9.955 8.921 -7.637 331 H HIS 43 H HIS 43 -4.443 3.409 -8.708 332 HA HIS 43 HA HIS 43 -2.656 5.563 -9.770 333 1HB HIS 43 HB2 HIS 43 -1.996 3.543 -7.593 334 2HB HIS 43 HB1 HIS 43 -0.949 4.839 -8.187 335 HD1 HIS 43 HD1 HIS 43 -3.517 6.964 -8.150 336 HD2 HIS 43 HD2 HIS 43 -1.982 4.678 -5.000 337 HE1 HIS 43 HE1 HIS 43 -4.196 8.080 -5.965 338 H LEU 44 H LEU 44 -4.011 3.384 -11.243 339 HA LEU 44 HA LEU 44 -2.245 1.167 -11.577 340 1HB LEU 44 HB1 LEU 44 -4.752 2.008 -12.585 341 2HB LEU 44 HB2 LEU 44 -3.702 1.811 -14.007 342 HG LEU 44 HG LEU 44 -3.970 -0.278 -11.787 343 1HD1 LEU 44 HD1 LEU 44 -6.133 0.016 -12.930 344 2HD1 LEU 44 HD1 LEU 44 -5.335 -0.088 -14.517 345 3HD1 LEU 44 HD1 LEU 44 -5.380 -1.511 -13.449 346 1HD2 LEU 44 HD2 LEU 44 -2.964 -1.757 -13.546 347 2HD2 LEU 44 HD2 LEU 44 -2.786 -0.340 -14.609 348 3HD2 LEU 44 HD2 LEU 44 -1.879 -0.428 -13.081 349 H ASP 45 H ASP 45 -2.623 4.231 -13.434 350 HA ASP 45 HA ASP 45 -0.217 3.616 -15.005 351 1HB ASP 45 H ASP 45 -2.307 4.674 -15.959 352 2HB ASP 45 H ASP 45 -1.953 6.119 -14.988 353 H ILE 46 H ILE 46 0.224 3.813 -12.169 354 HA ILE 46 HA ILE 46 1.254 6.422 -11.497 355 HB ILE 46 HB ILE 46 0.497 4.763 -9.828 356 1HG1 ILE 46 HG1 ILE 46 3.392 5.638 -9.660 357 2HG1 ILE 46 HG1 ILE 46 1.966 6.493 -9.041 358 1HG2 ILE 46 HG2 ILE 46 1.486 2.783 -11.120 359 2HG2 ILE 46 HG2 ILE 46 1.730 2.757 -9.362 360 3HG2 ILE 46 HG2 ILE 46 3.058 3.250 -10.437 361 1HD1 ILE 46 HD1 ILE 46 2.913 5.416 -7.142 362 2HD1 ILE 46 HD1 ILE 46 1.551 4.376 -7.611 363 3HD1 ILE 46 HD1 ILE 46 3.217 3.910 -8.042 364 H GLY 47 H GLY 47 3.438 7.083 -11.373 365 1HA GLY 47 HA1 GLY 47 5.111 6.471 -13.525 366 2HA GLY 47 HA2 GLY 47 5.654 7.191 -11.991 367 H LEU 48 H LEU 48 6.578 4.885 -13.966 368 HA LEU 48 HA LEU 48 6.501 2.423 -12.644 369 1HB LEU 48 HB1 LEU 48 7.296 2.781 -14.968 370 2HB LEU 48 HB2 LEU 48 8.727 3.634 -14.350 371 HG LEU 48 HG LEU 48 9.385 1.531 -13.118 372 1HD1 LEU 48 HD1 LEU 48 7.261 0.402 -12.880 373 2HD1 LEU 48 HD1 LEU 48 8.256 -0.596 -13.961 374 3HD1 LEU 48 HD1 LEU 48 6.976 0.440 -14.635 375 1HD2 LEU 48 HD2 LEU 48 8.967 1.234 -16.124 376 2HD2 LEU 48 HD2 LEU 48 10.321 2.087 -15.343 377 3HD2 LEU 48 HD2 LEU 48 10.141 0.328 -15.138 378 H LYS 49 H LYS 49 8.621 5.245 -12.096 379 HA LYS 49 HA LYS 49 10.580 4.066 -10.462 380 1HB LYS 49 H LYS 49 9.274 6.820 -10.323 381 2HB LYS 49 H LYS 49 10.750 6.360 -9.442 382 1HG LYS 49 H LYS 49 11.860 5.811 -11.600 383 2HG LYS 49 H LYS 49 10.390 6.306 -12.475 384 1HD LYS 49 H LYS 49 10.591 8.587 -11.490 385 2HD LYS 49 H LYS 49 12.088 8.086 -10.666 386 1HE LYS 49 H LYS 49 13.120 7.572 -12.867 387 2HE LYS 49 H LYS 49 11.628 8.088 -13.684 388 1HZ LYS 49 H LYS 49 11.951 10.265 -12.754 389 2HZ LYS 49 H LYS 49 13.337 9.785 -12.001 390 3HZ LYS 49 H LYS 49 13.263 9.820 -13.648 391 H GLN 50 H GLN 50 7.338 5.379 -9.596 392 HA GLN 50 HA GLN 50 7.593 4.772 -6.794 393 1HB GLN 50 HB2 GLN 50 5.180 5.306 -8.566 394 2HB GLN 50 HB1 GLN 50 5.120 5.169 -6.796 395 1HG GLN 50 HG1 GLN 50 6.709 7.049 -6.591 396 2HG GLN 50 HG2 GLN 50 6.782 7.189 -8.360 397 1HE2 GLN 50 HE2 GLN 50 4.740 7.690 -9.518 398 2HE2 GLN 50 HE2 GLN 50 3.535 8.670 -8.715 399 H LYS 51 H LYS 51 5.913 3.168 -9.564 400 HA LYS 51 HA LYS 51 4.737 1.033 -8.222 401 1HB LYS 51 H LYS 51 4.630 1.696 -10.701 402 2HB LYS 51 H LYS 51 6.129 0.772 -10.911 403 1HG LYS 51 H LYS 51 5.070 -1.270 -10.166 404 2HG LYS 51 H LYS 51 3.615 -0.396 -9.639 405 1HD LYS 51 H LYS 51 4.595 -0.540 -12.533 406 2HD LYS 51 H LYS 51 3.325 -1.578 -11.842 407 1HE LYS 51 H LYS 51 2.264 0.738 -11.109 408 2HE LYS 51 H LYS 51 3.266 1.390 -12.418 409 1HZ LYS 51 H LYS 51 1.307 -0.784 -12.707 410 2HZ LYS 51 H LYS 51 1.050 0.792 -13.136 411 3HZ LYS 51 H LYS 51 2.199 -0.105 -13.918 412 H GLN 52 H GLN 52 8.115 1.317 -9.415 413 HA GLN 52 HA GLN 52 8.895 -1.327 -8.610 414 1HB GLN 52 HB2 GLN 52 10.057 0.011 -10.347 415 2HB GLN 52 HB1 GLN 52 10.559 1.183 -9.106 416 1HG GLN 52 HG1 GLN 52 11.798 -0.596 -7.914 417 2HG GLN 52 HG2 GLN 52 11.273 -1.785 -9.126 418 1HE2 GLN 52 HE2 GLN 52 13.953 -1.551 -8.719 419 2HE2 GLN 52 HE2 GLN 52 14.716 -0.722 -10.058 420 H TRP 53 H TRP 53 9.517 1.944 -7.184 421 HA TRP 53 HA TRP 53 10.923 1.165 -4.906 422 1HB TRP 53 HB2 TRP 53 10.791 3.457 -5.372 423 2HB TRP 53 HB1 TRP 53 9.031 3.424 -5.534 424 HD1 TRP 53 HD1 TRP 53 11.557 2.779 -2.680 425 HE1 TRP 53 HE1 TRP 53 10.657 3.798 -0.493 426 HE3 TRP 53 HE3 TRP 53 7.116 4.636 -4.423 427 HZ2 TRP 53 HZ2 TRP 53 8.325 5.211 0.367 428 HZ3 TRP 53 HZ3 TRP 53 5.578 5.794 -2.886 429 HH2 TRP 53 HH2 TRP 53 6.179 6.110 -0.505 430 H LEU 54 H LEU 54 7.369 1.205 -5.417 431 HA LEU 54 HA LEU 54 6.617 0.696 -2.743 432 1HB LEU 54 HB2 LEU 54 5.329 0.106 -5.424 433 2HB LEU 54 HB1 LEU 54 4.535 -0.314 -3.891 434 HG LEU 54 HG LEU 54 5.585 2.496 -4.376 435 1HD1 LEU 54 HD1 LEU 54 3.301 3.102 -5.151 436 2HD1 LEU 54 HD1 LEU 54 4.091 1.965 -6.266 437 3HD1 LEU 54 HD1 LEU 54 2.849 1.380 -5.135 438 1HD2 LEU 54 HD2 LEU 54 3.735 3.030 -2.767 439 2HD2 LEU 54 HD2 LEU 54 4.947 1.931 -2.079 440 3HD2 LEU 54 HD2 LEU 54 3.387 1.289 -2.636 441 H MET 55 H MET 55 7.578 -1.506 -5.398 442 HA MET 55 HA MET 55 7.007 -3.870 -3.736 443 1HB MET 55 HB2 MET 55 8.032 -3.480 -6.575 444 2HB MET 55 HB1 MET 55 7.804 -5.072 -5.815 445 1HG MET 55 HG1 MET 55 5.410 -4.350 -5.326 446 2HG MET 55 HG2 MET 55 5.696 -2.970 -6.396 447 1HE MET 55 HE1 MET 55 6.288 -4.621 -9.864 448 2HE MET 55 HE2 MET 55 7.563 -4.256 -8.678 449 3HE MET 55 HE3 MET 55 6.215 -3.120 -8.914 450 H THR 56 H THR 56 9.608 -1.711 -3.832 451 HA THR 56 HA THR 56 11.497 -3.919 -3.118 452 HB THR 56 HB THR 56 13.298 -2.634 -4.269 453 HG1 THR 56 HG1 THR 56 11.106 -1.148 -5.298 454 1HG2 THR 56 HG2 THR 56 12.680 -3.310 -6.531 455 2HG2 THR 56 HG2 THR 56 10.957 -3.336 -6.093 456 3HG2 THR 56 HG2 THR 56 12.073 -4.523 -5.379 457 H GLU 57 H GLU 57 9.801 -1.686 -1.617 458 HA GLU 57 HA GLU 57 11.846 -1.214 0.368 459 1HB GLU 57 H GLU 57 12.574 0.497 -1.208 460 2HB GLU 57 H GLU 57 10.919 1.112 -1.349 461 1HG GLU 57 H GLU 57 12.294 2.524 0.156 462 2HG GLU 57 H GLU 57 10.934 1.788 1.022 463 H ALA 58 H ALA 58 8.964 0.668 -0.745 464 HA ALA 58 HA ALA 58 8.037 1.169 1.863 465 1HB ALA 58 HB1 ALA 58 6.440 1.032 -0.713 466 2HB ALA 58 HB2 ALA 58 5.952 1.861 0.778 467 3HB ALA 58 HB3 ALA 58 7.363 2.432 -0.142 468 H LEU 59 H LEU 59 6.062 -0.838 -0.388 469 HA LEU 59 HA LEU 59 4.622 -2.046 1.721 470 1HB LEU 59 HB2 LEU 59 5.077 -3.183 -1.065 471 2HB LEU 59 HB1 LEU 59 3.714 -3.513 0.022 472 HG LEU 59 HG LEU 59 4.377 -0.834 -1.287 473 1HD1 LEU 59 HD1 LEU 59 3.349 -2.602 -2.733 474 2HD1 LEU 59 HD1 LEU 59 1.987 -2.699 -1.594 475 3HD1 LEU 59 HD1 LEU 59 2.290 -1.193 -2.496 476 1HD2 LEU 59 HD2 LEU 59 2.143 -0.163 -0.266 477 2HD2 LEU 59 HD2 LEU 59 3.462 -0.367 0.907 478 3HD2 LEU 59 HD2 LEU 59 2.230 -1.639 0.724 479 H VAL 60 H VAL 60 7.792 -2.775 0.459 480 HA VAL 60 HA VAL 60 7.876 -5.549 1.166 481 HB VAL 60 HB VAL 60 10.085 -3.473 0.841 482 1HG1 VAL 60 HG1 VAL 60 10.927 -5.381 2.112 483 2HG1 VAL 60 HG1 VAL 60 11.516 -5.507 0.439 484 3HG1 VAL 60 HG1 VAL 60 10.158 -6.520 0.981 485 1HG2 VAL 60 HG2 VAL 60 10.315 -4.615 -1.392 486 2HG2 VAL 60 HG2 VAL 60 8.781 -3.739 -1.196 487 3HG2 VAL 60 HG2 VAL 60 8.823 -5.512 -1.040 488 H ASN 61 H ASN 61 8.682 -2.505 2.950 489 HA ASN 61 HA ASN 61 8.617 -4.097 5.447 490 1HB ASN 61 HB2 ASN 61 10.781 -2.925 6.169 491 2HB ASN 61 HB1 ASN 61 10.932 -4.245 4.993 492 1HD2 ASN 61 HD2 ASN 61 10.674 -0.662 5.229 493 2HD2 ASN 61 HD2 ASN 61 11.657 -0.325 3.808 494 H ASN 62 H ASN 62 6.557 -2.509 4.803 495 HA ASN 62 HA ASN 62 7.001 0.043 6.275 496 1HB ASN 62 HB1 ASN 62 5.894 0.294 4.119 497 2HB ASN 62 HB2 ASN 62 4.694 -0.932 4.554 498 1HD2 ASN 62 HD2 ASN 62 5.530 2.403 4.641 499 2HD2 ASN 62 HD2 ASN 62 4.204 2.959 5.638 500 HA PRO 63 HA PRO 63 5.554 -1.897 9.947 501 1HB PRO 63 HB1 PRO 63 4.086 0.509 10.765 502 2HB PRO 63 HB2 PRO 63 5.551 -0.223 11.476 503 1HG PRO 63 HG1 PRO 63 5.391 2.133 9.842 504 2HG PRO 63 HG2 PRO 63 6.867 1.327 10.443 505 1HD PRO 63 HD1 PRO 63 5.855 1.408 7.739 506 2HD PRO 63 HD2 PRO 63 7.328 0.594 8.343 507 H LYS 64 H LYS 64 3.108 0.138 8.211 508 HA LYS 64 HA LYS 64 0.913 -1.422 9.363 509 1HB LYS 64 H LYS 64 1.021 0.825 7.312 510 2HB LYS 64 H LYS 64 -0.481 0.102 7.938 511 1HG LYS 64 H LYS 64 0.198 0.713 10.250 512 2HG LYS 64 H LYS 64 1.676 1.470 9.610 513 1HD LYS 64 H LYS 64 0.383 3.111 8.375 514 2HD LYS 64 H LYS 64 -1.140 2.269 8.751 515 1HE LYS 64 H LYS 64 -0.917 4.198 10.225 516 2HE LYS 64 H LYS 64 -0.744 2.712 11.184 517 1HZ LYS 64 H LYS 64 1.479 4.353 10.178 518 2HZ LYS 64 H LYS 64 0.909 4.361 11.726 519 3HZ LYS 64 H LYS 64 1.616 3.002 11.114 520 H ILE 65 H ILE 65 3.077 -2.384 7.119 521 HA ILE 65 HA ILE 65 0.982 -3.740 5.469 522 HB ILE 65 HB ILE 65 3.763 -2.846 4.605 523 1HG1 ILE 65 HG1 ILE 65 2.082 -0.968 4.883 524 2HG1 ILE 65 HG1 ILE 65 2.677 -1.177 3.227 525 1HG2 ILE 65 HG2 ILE 65 3.230 -4.820 3.391 526 2HG2 ILE 65 HG2 ILE 65 1.527 -4.346 3.202 527 3HG2 ILE 65 HG2 ILE 65 2.796 -3.482 2.307 528 1HD1 ILE 65 HD1 ILE 65 0.632 -2.418 2.623 529 2HD1 ILE 65 HD1 ILE 65 0.221 -0.821 3.283 530 3HD1 ILE 65 HD1 ILE 65 0.033 -2.270 4.289 531 H GLU 66 H GLU 66 1.387 -5.876 4.885 532 HA GLU 66 HA GLU 66 3.678 -7.243 6.184 533 1HB GLU 66 H GLU 66 1.385 -7.379 7.458 534 2HB GLU 66 H GLU 66 0.892 -8.445 6.124 535 1HG GLU 66 H GLU 66 1.776 -9.815 7.933 536 2HG GLU 66 H GLU 66 2.924 -9.859 6.578 537 H VAL 67 H VAL 67 4.578 -8.842 4.897 538 HA VAL 67 HA VAL 67 3.509 -9.003 2.134 539 HB VAL 67 HB VAL 67 6.176 -9.923 3.297 540 1HG1 VAL 67 HG1 VAL 67 5.196 -9.532 0.429 541 2HG1 VAL 67 HG1 VAL 67 5.532 -11.093 1.215 542 3HG1 VAL 67 HG1 VAL 67 6.860 -9.952 0.902 543 1HG2 VAL 67 HG2 VAL 67 7.042 -7.866 2.114 544 2HG2 VAL 67 HG2 VAL 67 5.355 -7.371 1.839 545 3HG2 VAL 67 HG2 VAL 67 5.987 -7.498 3.497 546 H ILE 68 H ILE 68 2.311 -10.722 1.544 547 HA ILE 68 HA ILE 68 2.864 -13.353 2.837 548 HB ILE 68 HB ILE 68 0.168 -11.980 2.472 549 1HG1 ILE 68 HG1 ILE 68 0.239 -13.240 4.943 550 2HG1 ILE 68 HG1 ILE 68 1.927 -12.723 4.748 551 1HG2 ILE 68 HG2 ILE 68 0.811 -14.927 2.951 552 2HG2 ILE 68 HG2 ILE 68 -0.065 -14.237 1.561 553 3HG2 ILE 68 HG2 ILE 68 -0.800 -14.206 3.183 554 1HD1 ILE 68 HD1 ILE 68 0.611 -10.957 5.847 555 2HD1 ILE 68 HD1 ILE 68 -0.543 -10.952 4.494 556 3HD1 ILE 68 HD1 ILE 68 1.132 -10.413 4.236 557 H ASP 69 H ASP 69 3.108 -14.948 1.403 558 HA ASP 69 HA ASP 69 3.233 -16.042 -0.599 559 1HB ASP 69 H ASP 69 0.499 -14.728 -0.921 560 2HB ASP 69 H ASP 69 1.092 -16.098 -1.863 561 H GLY 70 H GLY 70 4.411 -13.319 -0.519 562 1HA GLY 70 HA1 GLY 70 5.629 -12.151 -2.116 563 2HA GLY 70 HA2 GLY 70 4.751 -12.998 -3.405 564 H LYS 71 H LYS 71 2.153 -12.118 -1.794 565 HA LYS 71 HA LYS 71 1.848 -9.605 -3.304 566 1HB LYS 71 H LYS 71 -0.372 -10.617 -1.584 567 2HB LYS 71 H LYS 71 -0.408 -9.982 -3.232 568 1HG LYS 71 H LYS 71 0.505 -12.775 -2.410 569 2HG LYS 71 H LYS 71 -1.014 -12.354 -3.221 570 1HD LYS 71 H LYS 71 0.522 -11.275 -5.047 571 2HD LYS 71 H LYS 71 1.804 -12.273 -4.338 572 1HE LYS 71 H LYS 71 -0.852 -13.260 -5.456 573 2HE LYS 71 H LYS 71 0.757 -13.492 -6.175 574 1HZ LYS 71 H LYS 71 0.169 -15.434 -5.022 575 2HZ LYS 71 H LYS 71 -0.235 -14.614 -3.650 576 3HZ LYS 71 H LYS 71 1.345 -14.693 -4.125 577 H TYR 72 H TYR 72 0.134 -8.092 -1.785 578 HA TYR 72 HA TYR 72 1.661 -7.617 0.745 579 1HB TYR 72 HB1 TYR 72 0.654 -5.540 -1.229 580 2HB TYR 72 HB2 TYR 72 1.493 -5.215 0.299 581 HD1 TYR 72 HD1 TYR 72 3.888 -6.052 0.581 582 HD2 TYR 72 HD2 TYR 72 1.871 -6.008 -3.224 583 HE1 TYR 72 HE1 TYR 72 6.076 -6.234 -0.581 584 HE2 TYR 72 HE2 TYR 72 4.059 -6.196 -4.384 585 HH TYR 72 HH TYR 72 7.158 -6.349 -2.597 586 H ALA 73 H ALA 73 0.478 -7.161 2.522 587 HA ALA 73 HA ALA 73 -2.457 -6.735 2.196 588 1HB ALA 73 HB1 ALA 73 -2.910 -8.391 3.880 589 2HB ALA 73 HB2 ALA 73 -1.180 -8.577 4.255 590 3HB ALA 73 HB3 ALA 73 -1.820 -9.162 2.707 591 H PHE 74 H PHE 74 -3.427 -5.626 3.992 592 HA PHE 74 HA PHE 74 -1.634 -3.741 5.299 593 1HB PHE 74 HB2 PHE 74 -3.715 -2.864 4.634 594 2HB PHE 74 HB1 PHE 74 -4.607 -4.267 5.236 595 HD1 PHE 74 HD1 PHE 74 -5.107 -4.522 7.614 596 HD2 PHE 74 HD2 PHE 74 -3.063 -1.042 6.137 597 HE1 PHE 74 HE1 PHE 74 -5.642 -3.332 9.715 598 HE2 PHE 74 HE2 PHE 74 -3.581 0.151 8.257 599 HZ PHE 74 HZ PHE 74 -4.887 -0.998 10.035 600 H LYS 75 H LYS 75 -0.663 -4.033 7.251 601 HA LYS 75 HA LYS 75 -1.049 -6.504 8.704 602 1HB LYS 75 H LYS 75 1.134 -5.326 8.495 603 2HB LYS 75 H LYS 75 0.483 -3.989 9.460 604 1HG LYS 75 H LYS 75 -0.119 -5.999 11.150 605 2HG LYS 75 H LYS 75 1.227 -6.791 10.310 606 1HD LYS 75 H LYS 75 1.645 -3.956 11.234 607 2HD LYS 75 H LYS 75 1.573 -5.215 12.481 608 1HE LYS 75 H LYS 75 3.899 -4.802 11.698 609 2HE LYS 75 H LYS 75 3.370 -6.470 11.397 610 1HZ LYS 75 H LYS 75 3.202 -4.365 9.362 611 2HZ LYS 75 H LYS 75 3.084 -6.008 9.155 612 3HZ LYS 75 H LYS 75 4.533 -5.324 9.549 613 HA PRO 76 HA PRO 76 -4.413 -4.685 11.090 614 1HB PRO 76 HB2 PRO 76 -4.984 -7.034 12.515 615 2HB PRO 76 HB1 PRO 76 -5.704 -6.560 10.955 616 1HG PRO 76 HG2 PRO 76 -3.694 -8.649 11.527 617 2HG PRO 76 HG1 PRO 76 -4.692 -8.414 10.066 618 1HD PRO 76 HD2 PRO 76 -1.911 -7.769 10.415 619 2HD PRO 76 HD1 PRO 76 -2.941 -7.435 8.996 620 H LYS 77 H LYS 77 -4.947 -4.516 13.469 621 HA LYS 77 HA LYS 77 -2.476 -4.233 15.043 622 1HB LYS 77 H LYS 77 -5.390 -3.550 15.591 623 2HB LYS 77 H LYS 77 -4.037 -3.191 16.687 624 1HG LYS 77 H LYS 77 -2.953 -1.970 14.686 625 2HG LYS 77 H LYS 77 -4.546 -2.091 13.900 626 1HD LYS 77 H LYS 77 -4.714 -0.026 14.981 627 2HD LYS 77 H LYS 77 -5.435 -1.127 16.181 628 1HE LYS 77 H LYS 77 -3.158 -1.310 17.272 629 2HE LYS 77 H LYS 77 -2.565 -0.076 16.141 630 1HZ LYS 77 H LYS 77 -4.201 1.426 17.028 631 2HZ LYS 77 H LYS 77 -3.216 0.871 18.228 632 3HZ LYS 77 H LYS 77 -4.747 0.278 18.079 633 H TYR 78 H TYR 78 -4.890 -6.570 14.485 634 HA TYR 78 HA TYR 78 -5.196 -8.665 15.339 635 1HB TYR 78 HB2 TYR 78 -3.156 -8.167 17.511 636 2HB TYR 78 HB1 TYR 78 -3.593 -9.685 16.714 637 HD1 TYR 78 HD1 TYR 78 -3.192 -9.628 14.027 638 HD2 TYR 78 HD2 TYR 78 -1.106 -7.219 16.927 639 HE1 TYR 78 HE1 TYR 78 -1.312 -9.324 12.430 640 HE2 TYR 78 HE2 TYR 78 0.760 -6.906 15.327 641 HH TYR 78 HH TYR 78 1.624 -7.467 13.278 642 H ASN 79 H ASN 79 -6.056 -5.851 16.734 643 HA ASN 79 HA ASN 79 -6.998 -6.880 19.312 644 1HB ASN 79 HB1 ASN 79 -6.194 -4.485 18.789 645 2HB ASN 79 HB2 ASN 79 -7.752 -4.259 17.968 646 1HD2 ASN 79 HD2 ASN 79 -9.748 -4.825 19.310 647 2HD2 ASN 79 HD2 ASN 79 -9.705 -4.387 21.008 648 H VAL 80 H VAL 80 -8.034 -8.697 17.867 649 HA VAL 80 HA VAL 80 -10.447 -8.008 16.434 650 HB VAL 80 HB VAL 80 -9.022 -10.024 15.985 651 1HG1 VAL 80 HG1 VAL 80 -8.626 -10.580 18.427 652 2HG1 VAL 80 HG1 VAL 80 -9.137 -11.962 17.433 653 3HG1 VAL 80 HG1 VAL 80 -10.306 -11.163 18.507 654 1HG2 VAL 80 HG2 VAL 80 -10.899 -11.541 15.574 655 2HG2 VAL 80 HG2 VAL 80 -11.901 -10.672 16.759 656 3HG2 VAL 80 HG2 VAL 80 -11.407 -9.867 15.250 657 H ARG 81 H ARG 81 -9.653 -8.959 19.767 658 HA ARG 81 HA ARG 81 -10.872 -8.783 21.694 659 1HB ARG 81 H ARG 81 -11.966 -6.795 20.296 660 2HB ARG 81 H ARG 81 -13.370 -7.882 20.261 661 1HG ARG 81 H ARG 81 -11.888 -6.981 22.780 662 2HG ARG 81 H ARG 81 -13.427 -6.308 22.201 663 1HD ARG 81 H ARG 81 -12.900 -9.159 23.124 664 2HD ARG 81 H ARG 81 -13.900 -7.943 23.934 665 HE ARG 81 H ARG 81 -15.188 -8.064 21.598 666 1HH1 ARG 81 H ARG 81 -13.788 -10.772 23.430 667 2HH1 ARG 81 H ARG 81 -15.102 -11.860 23.065 668 1HH2 ARG 81 H ARG 81 -16.793 -9.580 20.962 669 2HH2 ARG 81 H ARG 81 -16.734 -11.227 21.546 Start of MODEL 18 1 1H ALA 1 H1 ALA 1 0.193 16.912 -6.283 2 2H ALA 1 H2 ALA 1 -0.483 16.425 -4.856 3 3H ALA 1 H3 ALA 1 1.159 16.422 -5.041 4 HA ALA 1 HA ALA 1 0.498 18.257 -3.698 5 1HB ALA 1 HB1 ALA 1 1.571 20.059 -5.054 6 2HB ALA 1 HB2 ALA 1 2.488 18.534 -5.071 7 3HB ALA 1 HB3 ALA 1 1.502 18.990 -6.479 8 H LEU 2 H LEU 2 -0.045 20.213 -6.458 9 HA LEU 2 HA LEU 2 -2.467 21.277 -5.498 10 1HB LEU 2 HB2 LEU 2 -0.911 22.417 -7.059 11 2HB LEU 2 HB1 LEU 2 -1.328 21.247 -8.330 12 HG LEU 2 HG LEU 2 -3.708 22.006 -8.230 13 1HD1 LEU 2 HD1 LEU 2 -2.563 23.921 -6.153 14 2HD1 LEU 2 HD1 LEU 2 -4.097 24.223 -7.003 15 3HD1 LEU 2 HD1 LEU 2 -3.927 22.792 -5.963 16 1HD2 LEU 2 HD2 LEU 2 -2.106 23.033 -9.822 17 2HD2 LEU 2 HD2 LEU 2 -1.687 24.259 -8.602 18 3HD2 LEU 2 HD2 LEU 2 -3.331 24.205 -9.282 19 H SER 3 H SER 3 -1.812 18.571 -7.724 20 HA SER 3 HA SER 3 -4.568 18.303 -8.587 21 1HB SER 3 HB1 SER 3 -2.255 16.327 -8.761 22 2HB SER 3 HB2 SER 3 -3.749 16.315 -9.729 23 HG SER 3 HG SER 3 -2.052 17.306 -10.864 24 H GLY 4 H GLY 4 -5.111 18.437 -6.072 25 1HA GLY 4 HA1 GLY 4 -5.772 17.381 -4.114 26 2HA GLY 4 HA2 GLY 4 -6.585 16.322 -5.282 27 H SER 5 H SER 5 -3.266 16.775 -3.884 28 HA SER 5 HA SER 5 -3.248 14.047 -2.888 29 1HB SER 5 HB2 SER 5 -1.141 13.509 -4.314 30 2HB SER 5 HB1 SER 5 -2.734 13.356 -5.091 31 HG SER 5 HG SER 5 -2.427 15.258 -6.131 32 H SER 6 H SER 6 -1.754 13.839 -1.250 33 HA SER 6 HA SER 6 -0.432 16.278 -0.366 34 1HB SER 6 HB1 SER 6 -0.306 13.446 0.756 35 2HB SER 6 HB2 SER 6 0.136 14.949 1.599 36 HG SER 6 HG SER 6 -2.043 15.615 1.355 37 H GLY 7 H GLY 7 0.757 16.087 -2.660 38 1HA GLY 7 HA2 GLY 7 2.875 16.092 -3.576 39 2HA GLY 7 HA1 GLY 7 3.516 15.460 -2.043 40 H TYR 8 H TYR 8 4.121 14.641 -4.862 41 HA TYR 8 HA TYR 8 2.925 12.074 -5.347 42 1HB TYR 8 HB2 TYR 8 4.429 11.913 -7.107 43 2HB TYR 8 HB1 TYR 8 4.313 13.667 -6.910 44 HD1 TYR 8 HD1 TYR 8 6.545 10.954 -7.276 45 HD2 TYR 8 HD2 TYR 8 6.120 14.705 -5.198 46 HE1 TYR 8 HE1 TYR 8 9.006 11.071 -6.974 47 HE2 TYR 8 HE2 TYR 8 8.579 14.818 -4.899 48 HH TYR 8 HH TYR 8 10.770 12.287 -6.165 49 H LYS 9 H LYS 9 4.136 9.965 -5.177 50 HA LYS 9 HA LYS 9 5.384 8.405 -4.044 51 1HB LYS 9 H LYS 9 7.216 10.216 -4.324 52 2HB LYS 9 H LYS 9 6.878 10.657 -2.639 53 1HG LYS 9 H LYS 9 7.369 8.346 -1.928 54 2HG LYS 9 H LYS 9 7.736 7.908 -3.615 55 1HD LYS 9 H LYS 9 9.551 9.582 -3.675 56 2HD LYS 9 H LYS 9 9.142 10.109 -2.026 57 1HE LYS 9 H LYS 9 11.002 8.644 -1.775 58 2HE LYS 9 H LYS 9 9.584 7.696 -1.285 59 1HZ LYS 9 H LYS 9 11.003 6.447 -2.719 60 2HZ LYS 9 H LYS 9 9.574 6.736 -3.489 61 3HZ LYS 9 H LYS 9 10.920 7.594 -3.901 62 H PHE 10 H PHE 10 5.118 11.139 -1.704 63 HA PHE 10 HA PHE 10 4.437 9.433 0.492 64 1HB PHE 10 HB2 PHE 10 3.852 12.397 0.265 65 2HB PHE 10 HB1 PHE 10 4.261 11.464 1.712 66 HD1 PHE 10 HD1 PHE 10 5.518 13.864 -0.409 67 HD2 PHE 10 HD2 PHE 10 6.644 10.053 1.264 68 HE1 PHE 10 HE1 PHE 10 7.913 14.420 -0.756 69 HE2 PHE 10 HE2 PHE 10 9.041 10.616 0.917 70 HZ PHE 10 HZ PHE 10 9.674 12.798 -0.097 71 H GLY 11 H GLY 11 2.474 11.657 -1.577 72 1HA GLY 11 HA1 GLY 11 -0.002 11.216 -0.263 73 2HA GLY 11 HA2 GLY 11 0.205 11.753 -1.944 74 H VAL 12 H VAL 12 1.569 9.540 -3.022 75 HA VAL 12 HA VAL 12 -0.573 7.785 -3.642 76 HB VAL 12 HB VAL 12 2.449 7.628 -4.005 77 1HG1 VAL 12 HG1 VAL 12 1.687 5.326 -3.965 78 2HG1 VAL 12 HG1 VAL 12 0.273 5.724 -4.964 79 3HG1 VAL 12 HG1 VAL 12 1.902 5.791 -5.667 80 1HG2 VAL 12 HG2 VAL 12 0.123 8.124 -5.924 81 2HG2 VAL 12 HG2 VAL 12 1.220 9.370 -5.280 82 3HG2 VAL 12 HG2 VAL 12 1.849 8.105 -6.360 83 H LEU 13 H LEU 13 2.314 7.347 -1.519 84 HA LEU 13 HA LEU 13 1.700 4.710 -0.696 85 1HB LEU 13 HB2 LEU 13 3.895 5.771 -0.429 86 2HB LEU 13 HB1 LEU 13 3.217 6.941 0.722 87 HG LEU 13 HG LEU 13 2.667 5.107 2.288 88 1HD1 LEU 13 HD1 LEU 13 3.672 2.812 1.737 89 2HD1 LEU 13 HD1 LEU 13 3.821 3.383 0.059 90 3HD1 LEU 13 HD1 LEU 13 2.218 3.254 0.819 91 1HD2 LEU 13 HD2 LEU 13 5.534 4.923 1.261 92 2HD2 LEU 13 HD2 LEU 13 4.968 4.489 2.892 93 3HD2 LEU 13 HD2 LEU 13 4.918 6.186 2.356 94 H ALA 14 H ALA 14 0.838 7.895 0.769 95 HA ALA 14 HA ALA 14 -0.447 6.846 3.085 96 1HB ALA 14 HB1 ALA 14 -1.495 9.090 3.202 97 2HB ALA 14 HB2 ALA 14 0.243 9.203 2.836 98 3HB ALA 14 HB3 ALA 14 -0.956 9.428 1.540 99 H LYS 15 H LYS 15 -1.726 7.712 -0.182 100 HA LYS 15 HA LYS 15 -4.459 7.224 0.335 101 1HB LYS 15 H LYS 15 -2.657 7.257 -2.065 102 2HB LYS 15 H LYS 15 -4.236 6.472 -2.248 103 1HG LYS 15 H LYS 15 -4.055 9.195 -0.948 104 2HG LYS 15 H LYS 15 -3.995 9.061 -2.719 105 1HD LYS 15 H LYS 15 -6.162 7.530 -1.297 106 2HD LYS 15 H LYS 15 -6.322 9.299 -1.365 107 1HE LYS 15 H LYS 15 -7.452 8.398 -3.301 108 2HE LYS 15 H LYS 15 -5.958 9.175 -3.865 109 1HZ LYS 15 H LYS 15 -4.940 7.014 -3.951 110 2HZ LYS 15 H LYS 15 -6.303 7.039 -4.882 111 3HZ LYS 15 H LYS 15 -6.323 6.293 -3.410 112 H ILE 16 H ILE 16 -1.865 5.049 -0.854 113 HA ILE 16 HA ILE 16 -3.458 2.736 -1.134 114 HB ILE 16 HB ILE 16 -0.501 3.196 -0.634 115 1HG1 ILE 16 HG1 ILE 16 -1.919 2.146 -3.117 116 2HG1 ILE 16 HG1 ILE 16 -1.739 3.892 -2.818 117 1HG2 ILE 16 HG2 ILE 16 -0.866 1.000 0.230 118 2HG2 ILE 16 HG2 ILE 16 -0.329 0.751 -1.444 119 3HG2 ILE 16 HG2 ILE 16 -2.054 0.617 -1.036 120 1HD1 ILE 16 HD1 ILE 16 0.754 3.512 -2.578 121 2HD1 ILE 16 HD1 ILE 16 0.118 3.172 -4.203 122 3HD1 ILE 16 HD1 ILE 16 0.497 1.831 -3.101 123 H VAL 17 H VAL 17 -1.421 3.818 1.646 124 HA VAL 17 HA VAL 17 -1.944 1.621 3.329 125 HB VAL 17 HB VAL 17 -1.200 4.520 3.766 126 1HG1 VAL 17 HG1 VAL 17 -2.562 4.086 5.713 127 2HG1 VAL 17 HG1 VAL 17 -1.869 2.457 5.913 128 3HG1 VAL 17 HG1 VAL 17 -0.868 3.899 6.209 129 1HG2 VAL 17 HG2 VAL 17 0.451 2.793 2.963 130 2HG2 VAL 17 HG2 VAL 17 0.175 1.886 4.470 131 3HG2 VAL 17 HG2 VAL 17 0.891 3.515 4.527 132 H ASN 18 H ASN 18 -3.749 4.743 3.017 133 HA ASN 18 HA ASN 18 -5.678 4.161 5.029 134 1HB ASN 18 HB2 ASN 18 -5.245 6.409 4.092 135 2HB ASN 18 HB1 ASN 18 -5.922 5.892 2.533 136 1HD2 ASN 18 HD2 ASN 18 -8.173 5.675 2.289 137 2HD2 ASN 18 HD2 ASN 18 -9.310 6.190 3.517 138 H TYR 19 H TYR 19 -5.710 3.597 1.468 139 HA TYR 19 HA TYR 19 -8.366 2.619 1.291 140 1HB TYR 19 HB1 TYR 19 -7.532 2.981 -0.806 141 2HB TYR 19 HB2 TYR 19 -5.876 2.584 -0.334 142 HD1 TYR 19 HD1 TYR 19 -9.157 1.075 -1.291 143 HD2 TYR 19 HD2 TYR 19 -4.926 0.453 -0.786 144 HE1 TYR 19 HE1 TYR 19 -9.337 -1.135 -2.408 145 HE2 TYR 19 HE2 TYR 19 -5.121 -1.756 -1.895 146 HH TYR 19 HH TYR 19 -6.499 -3.221 -2.990 147 H MET 20 H MET 20 -5.266 0.772 1.584 148 HA MET 20 HA MET 20 -6.519 -1.774 1.783 149 1HB MET 20 HB2 MET 20 -3.929 -0.783 1.580 150 2HB MET 20 HB1 MET 20 -3.953 -1.453 3.226 151 1HG MET 20 HG1 MET 20 -4.854 -3.577 2.329 152 2HG MET 20 HG2 MET 20 -4.824 -2.892 0.696 153 1HE MET 20 HE1 MET 20 -2.033 -5.431 0.230 154 2HE MET 20 HE2 MET 20 -3.559 -5.652 1.113 155 3HE MET 20 HE3 MET 20 -3.530 -4.706 -0.392 156 H LYS 21 H LYS 21 -5.658 0.700 4.216 157 HA LYS 21 HA LYS 21 -6.059 -0.873 6.544 158 1HB LYS 21 H LYS 21 -4.960 1.282 6.654 159 2HB LYS 21 H LYS 21 -6.379 2.099 5.975 160 1HG LYS 21 H LYS 21 -7.702 1.483 7.971 161 2HG LYS 21 H LYS 21 -6.285 0.654 8.655 162 1HD LYS 21 H LYS 21 -5.188 2.638 9.135 163 2HD LYS 21 H LYS 21 -5.928 3.501 7.765 164 1HE LYS 21 H LYS 21 -8.098 3.539 8.960 165 2HE LYS 21 H LYS 21 -7.354 2.697 10.338 166 1HZ LYS 21 H LYS 21 -6.572 5.338 9.312 167 2HZ LYS 21 H LYS 21 -5.881 4.560 10.593 168 3HZ LYS 21 H LYS 21 -7.452 5.054 10.678 169 H THR 22 H THR 22 -8.317 1.373 4.839 170 HA THR 22 HA THR 22 -10.568 0.752 6.465 171 HB THR 22 HB THR 22 -10.340 1.770 3.579 172 HG1 THR 22 HG1 THR 22 -10.678 3.072 6.088 173 1HG2 THR 22 HG2 THR 22 -12.605 0.937 3.951 174 2HG2 THR 22 HG2 THR 22 -12.683 1.728 5.545 175 3HG2 THR 22 HG2 THR 22 -12.640 2.713 4.063 176 H ARG 23 H ARG 23 -9.392 -0.623 3.358 177 HA ARG 23 HA ARG 23 -11.540 -2.362 2.792 178 1HB ARG 23 H ARG 23 -8.572 -2.321 2.240 179 2HB ARG 23 H ARG 23 -9.520 -3.736 1.764 180 1HG ARG 23 H ARG 23 -10.644 -1.051 1.051 181 2HG ARG 23 H ARG 23 -9.207 -1.597 0.160 182 1HD ARG 23 H ARG 23 -10.307 -3.678 -0.452 183 2HD ARG 23 H ARG 23 -11.728 -3.248 0.526 184 HE ARG 23 H ARG 23 -11.136 -1.240 -1.481 185 1HH1 ARG 23 H ARG 23 -12.832 -4.294 -0.811 186 2HH1 ARG 23 H ARG 23 -13.766 -4.240 -2.290 187 1HH2 ARG 23 H ARG 23 -12.446 -1.148 -3.376 188 2HH2 ARG 23 H ARG 23 -13.678 -2.366 -3.645 189 H HIS 24 H HIS 24 -8.534 -2.952 4.662 190 HA HIS 24 HA HIS 24 -9.180 -5.613 5.439 191 1HB HIS 24 HB1 HIS 24 -6.920 -4.692 5.461 192 2HB HIS 24 HB2 HIS 24 -7.393 -3.480 6.663 193 HD1 HIS 24 HD1 HIS 24 -6.101 -6.944 6.330 194 HD2 HIS 24 HD2 HIS 24 -7.960 -4.626 9.256 195 HE1 HIS 24 HE1 HIS 24 -5.747 -8.102 8.567 196 H GLN 25 H GLN 25 -9.819 -2.399 6.876 197 HA GLN 25 HA GLN 25 -11.180 -3.545 9.214 198 1HB GLN 25 HB2 GLN 25 -10.832 -0.706 8.153 199 2HB GLN 25 HB1 GLN 25 -11.678 -1.111 9.665 200 1HG GLN 25 HG2 GLN 25 -9.671 -2.084 10.594 201 2HG GLN 25 HG1 GLN 25 -8.799 -1.909 9.070 202 1HE2 GLN 25 HE2 GLN 25 -10.944 0.719 9.815 203 2HE2 GLN 25 HE2 GLN 25 -9.741 1.837 10.410 204 H ARG 26 H ARG 26 -12.348 -4.629 6.976 205 HA ARG 26 HA ARG 26 -15.075 -3.650 7.170 206 1HB ARG 26 H ARG 26 -14.273 -2.024 5.548 207 2HB ARG 26 H ARG 26 -13.501 -3.298 4.583 208 1HG ARG 26 H ARG 26 -15.667 -4.275 4.036 209 2HG ARG 26 H ARG 26 -16.495 -3.131 5.122 210 1HD ARG 26 H ARG 26 -15.753 -1.243 3.737 211 2HD ARG 26 H ARG 26 -14.833 -2.346 2.689 212 HE ARG 26 H ARG 26 -17.555 -3.196 2.782 213 1HH1 ARG 26 H ARG 26 -15.531 -0.569 1.539 214 2HH1 ARG 26 H ARG 26 -16.568 -0.233 0.173 215 1HH2 ARG 26 H ARG 26 -18.919 -2.753 0.972 216 2HH2 ARG 26 H ARG 26 -18.507 -1.472 -0.145 217 H GLY 27 H GLY 27 -12.756 -5.574 5.168 218 1HA GLY 27 HA1 GLY 27 -13.754 -8.091 5.876 219 2HA GLY 27 HA2 GLY 27 -14.700 -7.572 4.464 220 H ASP 28 H ASP 28 -12.460 -5.978 3.318 221 HA ASP 28 HA ASP 28 -11.167 -8.182 1.906 222 1HB ASP 28 H ASP 28 -11.040 -5.161 1.667 223 2HB ASP 28 H ASP 28 -10.158 -6.271 0.599 224 H THR 29 H THR 29 -10.290 -8.686 4.290 225 HA THR 29 HA THR 29 -7.796 -7.237 4.897 226 HB THR 29 HB THR 29 -8.931 -7.902 6.847 227 HG1 THR 29 HG1 THR 29 -7.012 -9.886 6.192 228 1HG2 THR 29 HG2 THR 29 -9.658 -10.357 7.143 229 2HG2 THR 29 HG2 THR 29 -10.641 -9.337 6.074 230 3HG2 THR 29 HG2 THR 29 -9.481 -10.497 5.378 231 H HIS 30 H HIS 30 -8.770 -9.604 2.667 232 HA HIS 30 HA HIS 30 -6.588 -11.448 2.864 233 1HB HIS 30 HB2 HIS 30 -7.576 -12.500 1.079 234 2HB HIS 30 HB1 HIS 30 -8.956 -11.557 1.661 235 HD1 HIS 30 HD1 HIS 30 -8.875 -8.913 0.409 236 HD2 HIS 30 HD2 HIS 30 -7.380 -12.253 -1.626 237 HE1 HIS 30 HE1 HIS 30 -8.834 -8.357 -2.073 238 HA PRO 31 HA PRO 31 -3.363 -9.225 0.906 239 1HB PRO 31 HB2 PRO 31 -2.178 -11.336 -0.567 240 2HB PRO 31 HB1 PRO 31 -1.789 -10.858 1.101 241 1HG PRO 31 HG2 PRO 31 -3.261 -13.210 0.145 242 2HG PRO 31 HG1 PRO 31 -2.649 -12.858 1.785 243 1HD PRO 31 HD2 PRO 31 -5.364 -12.714 0.852 244 2HD PRO 31 HD1 PRO 31 -4.733 -12.273 2.466 245 H LEU 32 H LEU 32 -2.787 -8.157 -1.000 246 HA LEU 32 HA LEU 32 -4.071 -9.012 -3.550 247 1HB LEU 32 HB2 LEU 32 -4.187 -6.332 -2.136 248 2HB LEU 32 HB1 LEU 32 -4.284 -6.427 -3.904 249 HG LEU 32 HG LEU 32 -6.157 -7.820 -1.934 250 1HD1 LEU 32 HD1 LEU 32 -6.447 -5.354 -2.106 251 2HD1 LEU 32 HD1 LEU 32 -6.587 -5.503 -3.878 252 3HD1 LEU 32 HD1 LEU 32 -7.825 -6.225 -2.820 253 1HD2 LEU 32 HD2 LEU 32 -7.477 -8.146 -4.161 254 2HD2 LEU 32 HD2 LEU 32 -6.104 -9.228 -3.853 255 3HD2 LEU 32 HD2 LEU 32 -5.920 -7.852 -4.958 256 H THR 33 H THR 33 -2.818 -8.587 -5.398 257 HA THR 33 HA THR 33 0.012 -8.300 -5.063 258 HB THR 33 HB THR 33 0.061 -8.123 -7.531 259 HG1 THR 33 HG1 THR 33 -2.770 -8.088 -7.349 260 1HG2 THR 33 HG2 THR 33 -1.161 -10.230 -8.069 261 2HG2 THR 33 HG2 THR 33 -0.187 -10.359 -6.590 262 3HG2 THR 33 HG2 THR 33 -1.949 -10.155 -6.479 263 H LEU 34 H LEU 34 1.226 -6.574 -6.437 264 HA LEU 34 HA LEU 34 0.864 -4.043 -5.234 265 1HB LEU 34 HB2 LEU 34 2.899 -5.242 -6.492 266 2HB LEU 34 HB1 LEU 34 2.262 -4.369 -7.897 267 HG LEU 34 HG LEU 34 3.944 -2.966 -6.932 268 1HD1 LEU 34 HD1 LEU 34 1.349 -1.874 -5.786 269 2HD1 LEU 34 HD1 LEU 34 2.751 -0.962 -6.383 270 3HD1 LEU 34 HD1 LEU 34 1.731 -1.866 -7.524 271 1HD2 LEU 34 HD2 LEU 34 2.556 -3.306 -4.242 272 2HD2 LEU 34 HD2 LEU 34 4.059 -4.114 -4.734 273 3HD2 LEU 34 HD2 LEU 34 4.016 -2.345 -4.567 274 H ASP 35 H ASP 35 0.266 -5.037 -8.670 275 HA ASP 35 HA ASP 35 -0.858 -2.577 -9.469 276 1HB ASP 35 H ASP 35 -1.254 -5.389 -10.540 277 2HB ASP 35 H ASP 35 -1.776 -3.908 -11.374 278 H GLU 36 H GLU 36 -2.450 -5.481 -8.019 279 HA GLU 36 HA GLU 36 -5.136 -4.649 -8.425 280 1HB GLU 36 H GLU 36 -3.750 -6.370 -6.363 281 2HB GLU 36 H GLU 36 -5.483 -6.002 -6.227 282 1HG GLU 36 H GLU 36 -5.911 -6.922 -8.447 283 2HG GLU 36 H GLU 36 -4.176 -7.180 -8.717 284 H ILE 37 H ILE 37 -2.751 -3.808 -5.889 285 HA ILE 37 HA ILE 37 -4.590 -2.282 -4.286 286 HB ILE 37 HB ILE 37 -1.562 -2.403 -4.533 287 1HG1 ILE 37 HG1 ILE 37 -3.311 -3.161 -2.176 288 2HG1 ILE 37 HG1 ILE 37 -3.054 -4.288 -3.525 289 1HG2 ILE 37 HG2 ILE 37 -3.277 -0.718 -2.672 290 2HG2 ILE 37 HG2 ILE 37 -2.034 -0.148 -3.808 291 3HG2 ILE 37 HG2 ILE 37 -1.564 -1.087 -2.377 292 1HD1 ILE 37 HD1 ILE 37 -0.549 -3.944 -3.197 293 2HD1 ILE 37 HD1 ILE 37 -1.381 -4.796 -1.880 294 3HD1 ILE 37 HD1 ILE 37 -0.945 -3.083 -1.691 295 H LEU 38 H LEU 38 -2.292 -1.463 -6.938 296 HA LEU 38 HA LEU 38 -2.580 1.353 -6.812 297 1HB LEU 38 HB2 LEU 38 -2.074 -0.459 -9.199 298 2HB LEU 38 HB1 LEU 38 -1.891 1.290 -9.193 299 HG LEU 38 HG LEU 38 -0.311 -0.670 -7.520 300 1HD1 LEU 38 HD1 LEU 38 1.580 0.189 -8.898 301 2HD1 LEU 38 HD1 LEU 38 0.421 1.158 -9.839 302 3HD1 LEU 38 HD1 LEU 38 0.334 -0.621 -9.875 303 1HD2 LEU 38 HD2 LEU 38 -0.185 2.369 -7.657 304 2HD2 LEU 38 HD2 LEU 38 -0.587 1.393 -6.226 305 3HD2 LEU 38 HD2 LEU 38 1.057 1.353 -6.900 306 H ASP 39 H ASP 39 -4.424 -1.107 -8.684 307 HA ASP 39 HA ASP 39 -5.986 0.538 -10.271 308 1HB ASP 39 H ASP 39 -5.964 -1.917 -10.386 309 2HB ASP 39 H ASP 39 -6.805 -2.013 -8.825 310 H GLU 40 H GLU 40 -6.984 -0.706 -7.031 311 HA GLU 40 HA GLU 40 -9.363 0.783 -6.832 312 1HB GLU 40 H GLU 40 -7.455 -0.522 -4.905 313 2HB GLU 40 H GLU 40 -8.750 0.511 -4.264 314 1HG GLU 40 H GLU 40 -9.365 -1.618 -6.330 315 2HG GLU 40 H GLU 40 -9.219 -2.049 -4.614 316 H THR 41 H THR 41 -6.012 1.647 -5.847 317 HA THR 41 HA THR 41 -6.872 4.200 -4.712 318 HB THR 41 HB THR 41 -4.423 4.538 -4.431 319 HG1 THR 41 HG1 THR 41 -4.218 1.908 -5.456 320 1HG2 THR 41 HG2 THR 41 -5.918 2.146 -3.417 321 2HG2 THR 41 HG2 THR 41 -5.279 3.554 -2.534 322 3HG2 THR 41 HG2 THR 41 -4.182 2.256 -3.063 323 H GLN 42 H GLN 42 -6.808 3.230 -7.861 324 HA GLN 42 HA GLN 42 -6.925 4.389 -9.816 325 1HB GLN 42 HB2 GLN 42 -8.108 6.159 -8.697 326 2HB GLN 42 HB1 GLN 42 -6.624 6.831 -8.017 327 1HG GLN 42 HG2 GLN 42 -6.861 6.567 -11.007 328 2HG GLN 42 HG1 GLN 42 -7.714 7.884 -10.184 329 1HE2 GLN 42 HE2 GLN 42 -5.851 8.645 -11.984 330 2HE2 GLN 42 HE2 GLN 42 -4.418 9.259 -11.190 331 H HIS 43 H HIS 43 -4.115 4.477 -7.799 332 HA HIS 43 HA HIS 43 -2.396 5.858 -9.698 333 1HB HIS 43 HB1 HIS 43 -1.446 4.026 -7.500 334 2HB HIS 43 HB2 HIS 43 -0.687 5.494 -8.127 335 HD1 HIS 43 HD1 HIS 43 -3.139 7.466 -7.815 336 HD2 HIS 43 HD2 HIS 43 -1.873 4.741 -4.903 337 HE1 HIS 43 HE1 HIS 43 -3.969 8.277 -5.549 338 H LEU 44 H LEU 44 -3.770 3.750 -11.097 339 HA LEU 44 HA LEU 44 -2.044 1.422 -11.208 340 1HB LEU 44 HB2 LEU 44 -4.617 2.020 -12.062 341 2HB LEU 44 HB1 LEU 44 -3.697 1.907 -13.581 342 HG LEU 44 HG LEU 44 -3.605 -0.186 -11.344 343 1HD1 LEU 44 HD1 LEU 44 -5.854 0.019 -12.476 344 2HD1 LEU 44 HD1 LEU 44 -5.054 -0.289 -14.034 345 3HD1 LEU 44 HD1 LEU 44 -5.055 -1.543 -12.772 346 1HD2 LEU 44 HD2 LEU 44 -1.590 -0.250 -12.684 347 2HD2 LEU 44 HD2 LEU 44 -2.630 -1.577 -13.245 348 3HD2 LEU 44 HD2 LEU 44 -2.515 -0.077 -14.195 349 H ASP 45 H ASP 45 -2.508 4.352 -13.240 350 HA ASP 45 HA ASP 45 -0.497 3.714 -15.156 351 1HB ASP 45 H ASP 45 -1.457 6.429 -14.148 352 2HB ASP 45 H ASP 45 -0.554 6.135 -15.650 353 H ILE 46 H ILE 46 -0.428 5.831 -12.249 354 HA ILE 46 HA ILE 46 1.366 6.797 -11.172 355 HB ILE 46 HB ILE 46 0.691 4.718 -10.061 356 1HG1 ILE 46 HG1 ILE 46 3.518 5.700 -9.714 357 2HG1 ILE 46 HG1 ILE 46 2.067 6.150 -8.816 358 1HG2 ILE 46 HG2 ILE 46 1.938 2.690 -10.154 359 2HG2 ILE 46 HG2 ILE 46 1.551 3.131 -11.820 360 3HG2 ILE 46 HG2 ILE 46 3.179 3.400 -11.187 361 1HD1 ILE 46 HD1 ILE 46 3.562 3.503 -8.739 362 2HD1 ILE 46 HD1 ILE 46 3.261 4.637 -7.403 363 3HD1 ILE 46 HD1 ILE 46 1.917 3.698 -8.086 364 H GLY 47 H GLY 47 4.007 4.904 -11.186 365 1HA GLY 47 HA2 GLY 47 5.089 5.534 -13.826 366 2HA GLY 47 HA1 GLY 47 5.812 6.420 -12.458 367 H LEU 48 H LEU 48 7.063 4.326 -14.189 368 HA LEU 48 HA LEU 48 7.119 1.797 -12.963 369 1HB LEU 48 HB2 LEU 48 8.083 2.368 -15.189 370 2HB LEU 48 HB1 LEU 48 9.395 3.255 -14.380 371 HG LEU 48 HG LEU 48 8.988 0.489 -13.363 372 1HD1 LEU 48 HD1 LEU 48 9.958 0.976 -16.215 373 2HD1 LEU 48 HD1 LEU 48 10.071 -0.566 -15.336 374 3HD1 LEU 48 HD1 LEU 48 8.477 0.107 -15.745 375 1HD2 LEU 48 HD2 LEU 48 10.907 1.943 -12.735 376 2HD2 LEU 48 HD2 LEU 48 11.457 0.467 -13.558 377 3HD2 LEU 48 HD2 LEU 48 11.408 2.013 -14.441 378 H LYS 49 H LYS 49 9.108 4.719 -12.297 379 HA LYS 49 HA LYS 49 10.860 3.537 -10.417 380 1HB LYS 49 H LYS 49 9.829 6.386 -10.730 381 2HB LYS 49 H LYS 49 11.142 5.919 -9.622 382 1HG LYS 49 H LYS 49 12.477 5.062 -11.497 383 2HG LYS 49 H LYS 49 11.145 5.383 -12.629 384 1HD LYS 49 H LYS 49 12.695 7.207 -12.856 385 2HD LYS 49 H LYS 49 11.294 7.837 -11.958 386 1HE LYS 49 H LYS 49 12.481 7.662 -9.849 387 2HE LYS 49 H LYS 49 13.818 6.775 -10.614 388 1HZ LYS 49 H LYS 49 13.062 9.557 -11.186 389 2HZ LYS 49 H LYS 49 14.309 8.734 -11.885 390 3HZ LYS 49 H LYS 49 14.346 9.076 -10.272 391 H GLN 50 H GLN 50 7.678 5.178 -9.945 392 HA GLN 50 HA GLN 50 7.738 4.940 -7.082 393 1HB GLN 50 HB2 GLN 50 5.511 5.421 -9.084 394 2HB GLN 50 HB1 GLN 50 5.272 5.445 -7.322 395 1HG GLN 50 HG2 GLN 50 7.102 7.181 -7.174 396 2HG GLN 50 HG1 GLN 50 7.110 7.248 -8.949 397 1HE2 GLN 50 HE2 GLN 50 4.956 7.730 -10.015 398 2HE2 GLN 50 HE2 GLN 50 3.894 8.862 -9.211 399 H LYS 51 H LYS 51 6.071 3.038 -9.668 400 HA LYS 51 HA LYS 51 4.769 1.156 -8.065 401 1HB LYS 51 H LYS 51 4.605 1.460 -10.570 402 2HB LYS 51 H LYS 51 6.163 0.621 -10.726 403 1HG LYS 51 H LYS 51 5.099 -1.311 -9.409 404 2HG LYS 51 H LYS 51 3.541 -0.492 -9.639 405 1HD LYS 51 H LYS 51 5.416 -1.237 -11.931 406 2HD LYS 51 H LYS 51 4.095 -2.285 -11.372 407 1HE LYS 51 H LYS 51 3.666 0.595 -12.283 408 2HE LYS 51 H LYS 51 3.542 -0.802 -13.370 409 1HZ LYS 51 H LYS 51 1.934 -0.363 -10.958 410 2HZ LYS 51 H LYS 51 1.820 -1.679 -11.949 411 3HZ LYS 51 H LYS 51 1.420 -0.174 -12.509 412 H GLN 52 H GLN 52 8.123 1.071 -9.388 413 HA GLN 52 HA GLN 52 8.849 -1.422 -8.219 414 1HB GLN 52 HB2 GLN 52 10.045 -0.254 -10.083 415 2HB GLN 52 HB1 GLN 52 10.613 0.966 -8.920 416 1HG GLN 52 HG2 GLN 52 11.753 -0.799 -7.615 417 2HG GLN 52 HG1 GLN 52 11.157 -2.031 -8.747 418 1HE2 GLN 52 HE2 GLN 52 13.755 -2.169 -8.545 419 2HE2 GLN 52 HE2 GLN 52 14.598 -1.377 -9.857 420 H TRP 53 H TRP 53 9.308 1.988 -7.114 421 HA TRP 53 HA TRP 53 10.736 1.482 -4.756 422 1HB TRP 53 HB1 TRP 53 10.497 3.716 -5.491 423 2HB TRP 53 HB2 TRP 53 8.737 3.598 -5.561 424 HD1 TRP 53 HD1 TRP 53 11.454 3.390 -2.842 425 HE1 TRP 53 HE1 TRP 53 10.631 4.545 -0.692 426 HE3 TRP 53 HE3 TRP 53 6.759 4.699 -4.397 427 HZ2 TRP 53 HZ2 TRP 53 8.252 5.853 0.207 428 HZ3 TRP 53 HZ3 TRP 53 5.239 5.901 -2.856 429 HH2 TRP 53 HH2 TRP 53 5.982 6.493 -0.563 430 H LEU 54 H LEU 54 7.164 1.535 -5.267 431 HA LEU 54 HA LEU 54 6.471 1.074 -2.558 432 1HB LEU 54 HB2 LEU 54 5.057 0.407 -5.167 433 2HB LEU 54 HB1 LEU 54 4.308 0.206 -3.569 434 HG LEU 54 HG LEU 54 5.494 2.859 -4.473 435 1HD1 LEU 54 HD1 LEU 54 3.760 2.181 -6.096 436 2HD1 LEU 54 HD1 LEU 54 3.186 3.523 -5.082 437 3HD1 LEU 54 HD1 LEU 54 2.628 1.865 -4.760 438 1HD2 LEU 54 HD2 LEU 54 5.131 2.739 -2.090 439 2HD2 LEU 54 HD2 LEU 54 3.791 3.685 -2.769 440 3HD2 LEU 54 HD2 LEU 54 3.534 1.986 -2.311 441 H MET 55 H MET 55 7.245 -1.119 -5.253 442 HA MET 55 HA MET 55 6.462 -3.504 -3.830 443 1HB MET 55 HB1 MET 55 6.501 -3.031 -6.361 444 2HB MET 55 HB2 MET 55 8.255 -3.304 -6.276 445 1HG MET 55 HG2 MET 55 7.760 -5.538 -5.197 446 2HG MET 55 HG1 MET 55 6.045 -5.255 -5.524 447 1HE MET 55 HE1 MET 55 4.980 -5.097 -7.868 448 2HE MET 55 HE2 MET 55 5.849 -5.299 -9.407 449 3HE MET 55 HE3 MET 55 6.124 -3.848 -8.416 450 H THR 56 H THR 56 9.520 -1.655 -4.031 451 HA THR 56 HA THR 56 10.903 -4.006 -2.783 452 HB THR 56 HB THR 56 11.524 -3.216 -5.171 453 HG1 THR 56 HG1 THR 56 12.793 -4.576 -3.798 454 1HG2 THR 56 HG2 THR 56 12.967 -1.319 -5.375 455 2HG2 THR 56 HG2 THR 56 13.114 -1.141 -3.612 456 3HG2 THR 56 HG2 THR 56 11.578 -0.753 -4.420 457 H GLU 57 H GLU 57 9.831 -0.812 -2.054 458 HA GLU 57 HA GLU 57 11.891 -0.667 0.110 459 1HB GLU 57 H GLU 57 12.345 0.882 -1.861 460 2HB GLU 57 H GLU 57 10.855 1.733 -1.405 461 1HG GLU 57 H GLU 57 11.814 1.997 0.927 462 2HG GLU 57 H GLU 57 13.341 1.338 0.306 463 H ALA 58 H ALA 58 8.689 0.610 -1.018 464 HA ALA 58 HA ALA 58 8.120 1.601 1.656 465 1HB ALA 58 HB1 ALA 58 6.222 2.570 0.711 466 2HB ALA 58 HB2 ALA 58 7.363 2.535 -0.653 467 3HB ALA 58 HB3 ALA 58 6.072 1.317 -0.536 468 H LEU 59 H LEU 59 6.375 -0.830 -0.413 469 HA LEU 59 HA LEU 59 4.797 -1.645 1.894 470 1HB LEU 59 HB2 LEU 59 4.923 -2.802 -0.916 471 2HB LEU 59 HB1 LEU 59 3.657 -3.090 0.291 472 HG LEU 59 HG LEU 59 4.344 -0.405 -0.996 473 1HD1 LEU 59 HD1 LEU 59 3.113 -2.011 -2.438 474 2HD1 LEU 59 HD1 LEU 59 2.108 -0.612 -1.998 475 3HD1 LEU 59 HD1 LEU 59 1.869 -2.174 -1.178 476 1HD2 LEU 59 HD2 LEU 59 2.207 0.306 0.227 477 2HD2 LEU 59 HD2 LEU 59 3.638 0.068 1.253 478 3HD2 LEU 59 HD2 LEU 59 2.372 -1.182 1.189 479 H VAL 60 H VAL 60 7.942 -2.484 1.174 480 HA VAL 60 HA VAL 60 7.726 -5.366 1.485 481 HB VAL 60 HB VAL 60 10.302 -4.949 2.090 482 1HG1 VAL 60 HG1 VAL 60 9.485 -6.114 0.100 483 2HG1 VAL 60 HG1 VAL 60 9.040 -4.566 -0.654 484 3HG1 VAL 60 HG1 VAL 60 10.752 -4.955 -0.363 485 1HG2 VAL 60 HG2 VAL 60 9.668 -2.493 0.423 486 2HG2 VAL 60 HG2 VAL 60 9.817 -2.407 2.191 487 3HG2 VAL 60 HG2 VAL 60 11.203 -2.928 1.207 488 H ASN 61 H ASN 61 9.882 -3.575 3.659 489 HA ASN 61 HA ASN 61 8.741 -5.006 5.952 490 1HB ASN 61 HB1 ASN 61 10.642 -3.903 7.166 491 2HB ASN 61 HB2 ASN 61 11.150 -4.881 5.776 492 1HD2 ASN 61 HD2 ASN 61 13.114 -3.376 6.292 493 2HD2 ASN 61 HD2 ASN 61 13.185 -1.895 5.365 494 H ASN 62 H ASN 62 6.744 -3.494 5.014 495 HA ASN 62 HA ASN 62 6.740 -0.812 6.137 496 1HB ASN 62 HB2 ASN 62 5.556 -1.687 4.025 497 2HB ASN 62 HB1 ASN 62 4.381 -2.404 5.129 498 1HD2 ASN 62 HD2 ASN 62 5.652 0.578 3.767 499 2HD2 ASN 62 HD2 ASN 62 4.410 1.638 4.404 500 HA PRO 63 HA PRO 63 5.353 -2.135 10.156 501 1HB PRO 63 HB1 PRO 63 4.194 0.375 10.855 502 2HB PRO 63 HB2 PRO 63 5.837 -0.203 11.248 503 1HG PRO 63 HG1 PRO 63 5.006 1.805 9.269 504 2HG PRO 63 HG2 PRO 63 6.647 1.423 9.862 505 1HD PRO 63 HD1 PRO 63 5.516 0.736 7.326 506 2HD PRO 63 HD2 PRO 63 7.088 0.203 7.993 507 H LYS 64 H LYS 64 3.277 -0.599 7.723 508 HA LYS 64 HA LYS 64 0.844 -1.594 9.138 509 1HB LYS 64 H LYS 64 1.266 0.570 7.046 510 2HB LYS 64 H LYS 64 -0.335 0.004 7.578 511 1HG LYS 64 H LYS 64 0.184 0.632 9.899 512 2HG LYS 64 H LYS 64 1.819 1.144 9.416 513 1HD LYS 64 H LYS 64 0.906 2.894 7.984 514 2HD LYS 64 H LYS 64 -0.755 2.323 8.278 515 1HE LYS 64 H LYS 64 -0.604 2.906 10.634 516 2HE LYS 64 H LYS 64 1.121 3.305 10.471 517 1HZ LYS 64 H LYS 64 -0.253 5.256 10.450 518 2HZ LYS 64 H LYS 64 -1.087 4.709 9.136 519 3HZ LYS 64 H LYS 64 0.514 5.081 9.000 520 H ILE 65 H ILE 65 2.962 -2.683 6.763 521 HA ILE 65 HA ILE 65 0.783 -4.275 5.542 522 HB ILE 65 HB ILE 65 2.612 -2.381 4.044 523 1HG1 ILE 65 HG1 ILE 65 0.278 -2.657 2.620 524 2HG1 ILE 65 HG1 ILE 65 -0.297 -2.967 4.263 525 1HG2 ILE 65 HG2 ILE 65 3.204 -4.547 3.093 526 2HG2 ILE 65 HG2 ILE 65 1.490 -5.011 2.988 527 3HG2 ILE 65 HG2 ILE 65 2.126 -3.706 1.961 528 1HD1 ILE 65 HD1 ILE 65 -0.487 -0.597 3.856 529 2HD1 ILE 65 HD1 ILE 65 0.866 -0.832 4.982 530 3HD1 ILE 65 HD1 ILE 65 1.191 -0.512 3.266 531 H GLU 66 H GLU 66 1.314 -6.357 5.255 532 HA GLU 66 HA GLU 66 4.170 -7.148 5.611 533 1HB GLU 66 H GLU 66 2.319 -7.769 7.386 534 2HB GLU 66 H GLU 66 1.784 -8.937 6.165 535 1HG GLU 66 H GLU 66 3.343 -10.017 7.712 536 2HG GLU 66 H GLU 66 4.097 -9.892 6.112 537 H VAL 67 H VAL 67 4.821 -9.073 4.356 538 HA VAL 67 HA VAL 67 3.410 -9.143 1.737 539 HB VAL 67 HB VAL 67 6.181 -10.174 2.471 540 1HG1 VAL 67 HG1 VAL 67 4.866 -9.463 -0.194 541 2HG1 VAL 67 HG1 VAL 67 6.533 -10.047 0.026 542 3HG1 VAL 67 HG1 VAL 67 5.160 -11.114 0.402 543 1HG2 VAL 67 HG2 VAL 67 6.900 -8.020 1.282 544 2HG2 VAL 67 HG2 VAL 67 6.205 -7.809 2.905 545 3HG2 VAL 67 HG2 VAL 67 5.219 -7.468 1.466 546 H ILE 68 H ILE 68 2.251 -10.895 1.145 547 HA ILE 68 HA ILE 68 2.830 -13.508 2.458 548 HB ILE 68 HB ILE 68 0.124 -12.112 2.222 549 1HG1 ILE 68 HG1 ILE 68 0.138 -13.010 4.710 550 2HG1 ILE 68 HG1 ILE 68 1.898 -13.083 4.487 551 1HG2 ILE 68 HG2 ILE 68 -0.794 -14.291 3.116 552 2HG2 ILE 68 HG2 ILE 68 -0.189 -14.398 1.449 553 3HG2 ILE 68 HG2 ILE 68 0.791 -15.033 2.791 554 1HD1 ILE 68 HD1 ILE 68 0.359 -10.825 5.201 555 2HD1 ILE 68 HD1 ILE 68 0.831 -10.540 3.510 556 3HD1 ILE 68 HD1 ILE 68 2.075 -10.843 4.744 557 H ASP 69 H ASP 69 3.225 -14.975 0.927 558 HA ASP 69 HA ASP 69 3.334 -16.001 -1.115 559 1HB ASP 69 H ASP 69 0.991 -16.500 -0.377 560 2HB ASP 69 H ASP 69 0.430 -15.089 -1.296 561 H GLY 70 H GLY 70 4.480 -13.490 -1.218 562 1HA GLY 70 HA1 GLY 70 5.340 -12.144 -2.895 563 2HA GLY 70 HA2 GLY 70 4.202 -12.869 -4.050 564 H LYS 71 H LYS 71 1.758 -12.307 -2.599 565 HA LYS 71 HA LYS 71 1.351 -9.579 -3.456 566 1HB LYS 71 H LYS 71 -0.507 -11.323 -1.807 567 2HB LYS 71 H LYS 71 -0.942 -9.964 -2.844 568 1HG LYS 71 H LYS 71 0.178 -11.376 -4.746 569 2HG LYS 71 H LYS 71 -0.027 -12.743 -3.631 570 1HD LYS 71 H LYS 71 -2.337 -10.879 -4.291 571 2HD LYS 71 H LYS 71 -1.942 -12.265 -5.332 572 1HE LYS 71 H LYS 71 -2.414 -13.838 -3.640 573 2HE LYS 71 H LYS 71 -2.274 -12.634 -2.344 574 1HZ LYS 71 H LYS 71 -4.554 -13.286 -2.886 575 2HZ LYS 71 H LYS 71 -4.291 -11.660 -3.017 576 3HZ LYS 71 H LYS 71 -4.390 -12.598 -4.375 577 H TYR 72 H TYR 72 -0.021 -8.135 -1.806 578 HA TYR 72 HA TYR 72 1.573 -8.023 0.728 579 1HB TYR 72 HB2 TYR 72 0.416 -5.788 -0.971 580 2HB TYR 72 HB1 TYR 72 1.238 -5.570 0.582 581 HD1 TYR 72 HD1 TYR 72 3.647 -5.795 0.780 582 HD2 TYR 72 HD2 TYR 72 1.673 -6.502 -2.982 583 HE1 TYR 72 HE1 TYR 72 5.843 -5.774 -0.379 584 HE2 TYR 72 HE2 TYR 72 3.871 -6.487 -4.137 585 HH TYR 72 HH TYR 72 6.163 -6.472 -3.855 586 H ALA 73 H ALA 73 0.452 -7.274 2.620 587 HA ALA 73 HA ALA 73 -2.511 -7.198 2.448 588 1HB ALA 73 HB1 ALA 73 -2.689 -8.869 4.253 589 2HB ALA 73 HB2 ALA 73 -0.920 -9.075 4.246 590 3HB ALA 73 HB3 ALA 73 -1.879 -9.569 2.834 591 H PHE 74 H PHE 74 -3.404 -5.822 3.972 592 HA PHE 74 HA PHE 74 -1.670 -4.031 5.361 593 1HB PHE 74 HB2 PHE 74 -3.800 -3.245 4.694 594 2HB PHE 74 HB1 PHE 74 -4.628 -4.596 5.471 595 HD1 PHE 74 HD1 PHE 74 -4.861 -4.682 7.935 596 HD2 PHE 74 HD2 PHE 74 -3.111 -1.287 5.959 597 HE1 PHE 74 HE1 PHE 74 -5.226 -3.322 9.969 598 HE2 PHE 74 HE2 PHE 74 -3.454 0.072 8.011 599 HZ PHE 74 HZ PHE 74 -4.532 -0.948 10.007 600 H LYS 75 H LYS 75 -0.861 -4.048 7.384 601 HA LYS 75 HA LYS 75 -1.055 -6.568 8.875 602 1HB LYS 75 H LYS 75 1.040 -5.065 8.220 603 2HB LYS 75 H LYS 75 0.620 -4.220 9.725 604 1HG LYS 75 H LYS 75 0.648 -6.436 10.917 605 2HG LYS 75 H LYS 75 1.190 -7.202 9.406 606 1HD LYS 75 H LYS 75 2.662 -5.139 11.096 607 2HD LYS 75 H LYS 75 3.178 -6.791 10.684 608 1HE LYS 75 H LYS 75 3.058 -5.953 8.206 609 2HE LYS 75 H LYS 75 3.081 -4.329 8.916 610 1HZ LYS 75 H LYS 75 5.109 -6.433 9.151 611 2HZ LYS 75 H LYS 75 5.261 -4.936 8.449 612 3HZ LYS 75 H LYS 75 5.109 -5.068 10.089 613 HA PRO 76 HA PRO 76 -4.043 -4.474 11.536 614 1HB PRO 76 HB2 PRO 76 -4.522 -6.730 13.142 615 2HB PRO 76 HB1 PRO 76 -5.419 -6.294 11.661 616 1HG PRO 76 HG2 PRO 76 -3.414 -8.433 12.074 617 2HG PRO 76 HG1 PRO 76 -4.614 -8.244 10.765 618 1HD PRO 76 HD1 PRO 76 -1.805 -7.712 10.631 619 2HD PRO 76 HD2 PRO 76 -3.038 -7.343 9.389 620 H LYS 77 H LYS 77 -2.916 -3.060 12.846 621 HA LYS 77 HA LYS 77 -0.722 -3.806 14.512 622 1HB LYS 77 H LYS 77 -1.155 -1.494 13.729 623 2HB LYS 77 H LYS 77 -2.628 -1.432 14.724 624 1HG LYS 77 H LYS 77 -1.273 -1.781 16.768 625 2HG LYS 77 H LYS 77 0.203 -1.886 15.780 626 1HD LYS 77 H LYS 77 -0.144 0.427 14.990 627 2HD LYS 77 H LYS 77 -1.654 0.534 15.929 628 1HE LYS 77 H LYS 77 -0.366 0.130 18.021 629 2HE LYS 77 H LYS 77 1.137 0.064 17.075 630 1HZ LYS 77 H LYS 77 -0.663 2.379 17.272 631 2HZ LYS 77 H LYS 77 0.734 2.318 16.398 632 3HZ LYS 77 H LYS 77 0.786 2.214 18.043 633 H TYR 78 H TYR 78 -4.216 -3.280 15.181 634 HA TYR 78 HA TYR 78 -3.959 -5.034 17.567 635 1HB TYR 78 HB1 TYR 78 -5.408 -3.486 18.840 636 2HB TYR 78 HB2 TYR 78 -3.859 -2.748 18.410 637 HD1 TYR 78 HD1 TYR 78 -7.509 -2.698 17.843 638 HD2 TYR 78 HD2 TYR 78 -3.733 -0.930 16.765 639 HE1 TYR 78 HE1 TYR 78 -8.701 -0.794 16.786 640 HE2 TYR 78 HE2 TYR 78 -4.926 0.973 15.708 641 HH TYR 78 HH TYR 78 -8.500 1.170 15.627 642 H ASN 79 H ASN 79 -5.088 -4.977 14.627 643 HA ASN 79 HA ASN 79 -6.869 -5.874 13.522 644 1HB ASN 79 HB2 ASN 79 -6.420 -7.582 15.506 645 2HB ASN 79 HB1 ASN 79 -7.990 -6.993 16.089 646 1HD2 ASN 79 HD2 ASN 79 -6.300 -8.492 13.309 647 2HD2 ASN 79 HD2 ASN 79 -7.718 -9.249 12.619 648 H VAL 80 H VAL 80 -9.597 -6.310 14.569 649 HA VAL 80 HA VAL 80 -10.424 -3.513 15.168 650 HB VAL 80 HB VAL 80 -10.628 -4.113 12.713 651 1HG1 VAL 80 HG1 VAL 80 -11.222 -6.530 13.107 652 2HG1 VAL 80 HG1 VAL 80 -12.347 -5.687 12.018 653 3HG1 VAL 80 HG1 VAL 80 -12.812 -5.998 13.705 654 1HG2 VAL 80 HG2 VAL 80 -13.279 -3.667 14.152 655 2HG2 VAL 80 HG2 VAL 80 -12.062 -2.401 13.865 656 3HG2 VAL 80 HG2 VAL 80 -12.872 -3.187 12.489 657 H ARG 81 H ARG 81 -12.377 -3.331 16.369 658 HA ARG 81 HA ARG 81 -12.899 -5.656 18.082 659 1HB ARG 81 H ARG 81 -12.615 -3.292 18.933 660 2HB ARG 81 H ARG 81 -14.146 -2.877 18.127 661 1HG ARG 81 H ARG 81 -15.281 -4.690 19.444 662 2HG ARG 81 H ARG 81 -13.752 -4.983 20.304 663 1HD ARG 81 H ARG 81 -15.295 -2.350 20.260 664 2HD ARG 81 H ARG 81 -15.279 -3.513 21.595 665 HE ARG 81 H ARG 81 -13.010 -2.966 22.072 666 1HH1 ARG 81 H ARG 81 -14.263 -1.100 19.317 667 2HH1 ARG 81 H ARG 81 -13.122 0.206 19.519 668 1HH2 ARG 81 H ARG 81 -11.493 -1.249 22.295 669 2HH2 ARG 81 H ARG 81 -11.506 0.090 21.171 Start of MODEL 19 1 1H ALA 1 H1 ALA 1 16.340 23.330 -1.683 2 2H ALA 1 H2 ALA 1 16.253 23.673 -3.294 3 3H ALA 1 H3 ALA 1 14.965 22.985 -2.527 4 HA ALA 1 HA ALA 1 17.591 21.746 -2.933 5 1HB ALA 1 HB1 ALA 1 15.038 20.677 -1.663 6 2HB ALA 1 HB2 ALA 1 16.457 19.686 -2.079 7 3HB ALA 1 HB3 ALA 1 16.596 20.971 -0.856 8 H LEU 2 H LEU 2 14.123 20.916 -3.485 9 HA LEU 2 HA LEU 2 12.976 20.375 -5.384 10 1HB LEU 2 HB2 LEU 2 14.505 22.379 -6.292 11 2HB LEU 2 HB1 LEU 2 15.254 21.069 -7.229 12 HG LEU 2 HG LEU 2 12.261 21.677 -7.153 13 1HD1 LEU 2 HD1 LEU 2 14.355 22.230 -9.303 14 2HD1 LEU 2 HD1 LEU 2 12.607 22.538 -9.443 15 3HD1 LEU 2 HD1 LEU 2 13.581 23.457 -8.272 16 1HD2 LEU 2 HD2 LEU 2 13.971 19.698 -8.717 17 2HD2 LEU 2 HD2 LEU 2 12.329 20.163 -9.221 18 3HD2 LEU 2 HD2 LEU 2 12.581 19.349 -7.662 19 H SER 3 H SER 3 16.412 19.636 -6.267 20 HA SER 3 HA SER 3 15.677 16.985 -7.198 21 1HB SER 3 HB2 SER 3 17.474 18.294 -8.256 22 2HB SER 3 HB1 SER 3 18.384 18.311 -6.726 23 HG SER 3 HG SER 3 18.514 16.055 -6.848 24 H GLY 4 H GLY 4 14.629 16.373 -5.090 25 1HA GLY 4 HA2 GLY 4 16.507 14.764 -3.532 26 2HA GLY 4 HA1 GLY 4 15.733 16.079 -2.616 27 H SER 5 H SER 5 13.488 16.009 -2.197 28 HA SER 5 HA SER 5 11.796 13.950 -3.332 29 1HB SER 5 HB1 SER 5 11.400 12.804 -1.109 30 2HB SER 5 HB2 SER 5 12.992 12.483 -1.829 31 HG SER 5 HG SER 5 13.860 14.071 -0.458 32 H SER 6 H SER 6 11.432 16.611 -3.453 33 HA SER 6 HA SER 6 9.928 17.654 -1.199 34 1HB SER 6 HB1 SER 6 11.234 19.049 -2.838 35 2HB SER 6 HB2 SER 6 10.038 18.627 -4.087 36 HG SER 6 HG SER 6 9.479 20.575 -3.096 37 H GLY 7 H GLY 7 8.367 15.956 -0.854 38 1HA GLY 7 HA1 GLY 7 6.180 15.214 -1.007 39 2HA GLY 7 HA2 GLY 7 5.916 16.326 -2.371 40 H TYR 8 H TYR 8 4.690 14.358 -3.190 41 HA TYR 8 HA TYR 8 4.484 12.682 -4.722 42 1HB TYR 8 HB2 TYR 8 5.702 13.418 -6.458 43 2HB TYR 8 HB1 TYR 8 7.019 13.981 -5.430 44 HD1 TYR 8 HD1 TYR 8 8.913 12.479 -4.853 45 HD2 TYR 8 HD2 TYR 8 5.776 11.247 -7.538 46 HE1 TYR 8 HE1 TYR 8 10.340 10.619 -5.667 47 HE2 TYR 8 HE2 TYR 8 7.214 9.395 -8.356 48 HH TYR 8 HH TYR 8 10.522 8.852 -7.109 49 H LYS 9 H LYS 9 4.640 10.430 -4.811 50 HA LYS 9 HA LYS 9 5.205 8.322 -4.168 51 1HB LYS 9 H LYS 9 7.358 7.838 -4.038 52 2HB LYS 9 H LYS 9 7.676 9.573 -4.136 53 1HG LYS 9 H LYS 9 7.902 9.757 -1.743 54 2HG LYS 9 H LYS 9 7.235 8.134 -1.488 55 1HD LYS 9 H LYS 9 9.168 7.186 -2.793 56 2HD LYS 9 H LYS 9 9.861 8.821 -2.878 57 1HE LYS 9 H LYS 9 10.174 8.919 -0.514 58 2HE LYS 9 H LYS 9 9.133 7.511 -0.236 59 1HZ LYS 9 H LYS 9 11.754 7.493 -1.564 60 2HZ LYS 9 H LYS 9 10.779 6.177 -1.376 61 3HZ LYS 9 H LYS 9 11.421 6.922 -0.053 62 H PHE 10 H PHE 10 5.692 10.698 -1.499 63 HA PHE 10 HA PHE 10 4.807 8.863 0.532 64 1HB PHE 10 HB2 PHE 10 4.668 11.890 0.630 65 2HB PHE 10 HB1 PHE 10 4.854 10.759 1.982 66 HD1 PHE 10 HD1 PHE 10 6.536 12.665 -0.606 67 HD2 PHE 10 HD2 PHE 10 7.009 9.440 2.203 68 HE1 PHE 10 HE1 PHE 10 8.988 12.791 -0.882 69 HE2 PHE 10 HE2 PHE 10 9.474 9.590 1.952 70 HZ PHE 10 HZ PHE 10 10.471 11.270 0.414 71 H GLY 11 H GLY 11 3.156 11.511 -1.282 72 1HA GLY 11 HA2 GLY 11 0.655 11.341 0.030 73 2HA GLY 11 HA1 GLY 11 0.927 11.954 -1.615 74 H VAL 12 H VAL 12 2.022 9.474 -2.695 75 HA VAL 12 HA VAL 12 -0.469 8.172 -3.365 76 HB VAL 12 HB VAL 12 2.376 7.260 -3.982 77 1HG1 VAL 12 HG1 VAL 12 1.348 6.172 -5.884 78 2HG1 VAL 12 HG1 VAL 12 0.404 5.713 -4.449 79 3HG1 VAL 12 HG1 VAL 12 -0.212 6.960 -5.560 80 1HG2 VAL 12 HG2 VAL 12 1.974 8.569 -6.142 81 2HG2 VAL 12 HG2 VAL 12 2.245 9.567 -4.695 82 3HG2 VAL 12 HG2 VAL 12 0.595 9.341 -5.325 83 H LEU 13 H LEU 13 2.497 7.204 -1.567 84 HA LEU 13 HA LEU 13 1.693 4.600 -0.863 85 1HB LEU 13 HB2 LEU 13 3.973 5.382 -0.647 86 2HB LEU 13 HB1 LEU 13 3.488 6.629 0.522 87 HG LEU 13 HG LEU 13 2.787 4.839 2.117 88 1HD1 LEU 13 HD1 LEU 13 3.854 3.030 -0.092 89 2HD1 LEU 13 HD1 LEU 13 2.215 3.033 0.600 90 3HD1 LEU 13 HD1 LEU 13 3.592 2.488 1.582 91 1HD2 LEU 13 HD2 LEU 13 5.100 4.012 2.604 92 2HD2 LEU 13 HD2 LEU 13 5.622 4.628 1.017 93 3HD2 LEU 13 HD2 LEU 13 5.050 5.759 2.266 94 H ALA 14 H ALA 14 1.075 7.744 0.770 95 HA ALA 14 HA ALA 14 -0.040 6.710 3.161 96 1HB ALA 14 HB1 ALA 14 -1.101 8.949 3.339 97 2HB ALA 14 HB2 ALA 14 0.608 9.065 2.854 98 3HB ALA 14 HB3 ALA 14 -0.678 9.279 1.641 99 H LYS 15 H LYS 15 -1.674 7.663 0.057 100 HA LYS 15 HA LYS 15 -4.292 7.009 0.966 101 1HB LYS 15 H LYS 15 -3.059 7.185 -1.807 102 2HB LYS 15 H LYS 15 -4.789 6.867 -1.526 103 1HG LYS 15 H LYS 15 -4.695 8.969 0.016 104 2HG LYS 15 H LYS 15 -3.184 9.340 -0.831 105 1HD LYS 15 H LYS 15 -5.945 8.971 -2.072 106 2HD LYS 15 H LYS 15 -5.030 10.490 -1.945 107 1HE LYS 15 H LYS 15 -4.294 8.035 -3.584 108 2HE LYS 15 H LYS 15 -4.800 9.618 -4.204 109 1HZ LYS 15 H LYS 15 -2.823 10.559 -3.263 110 2HZ LYS 15 H LYS 15 -2.351 9.098 -2.661 111 3HZ LYS 15 H LYS 15 -2.430 9.332 -4.292 112 H ILE 16 H ILE 16 -1.724 5.075 -0.623 113 HA ILE 16 HA ILE 16 -3.296 2.756 -1.085 114 HB ILE 16 HB ILE 16 -0.335 3.251 -0.665 115 1HG1 ILE 16 HG1 ILE 16 -1.806 2.190 -3.103 116 2HG1 ILE 16 HG1 ILE 16 -1.689 3.933 -2.780 117 1HG2 ILE 16 HG2 ILE 16 -1.831 0.634 -0.973 118 2HG2 ILE 16 HG2 ILE 16 -0.524 1.041 0.160 119 3HG2 ILE 16 HG2 ILE 16 -0.164 0.807 -1.562 120 1HD1 ILE 16 HD1 ILE 16 0.125 3.195 -4.286 121 2HD1 ILE 16 HD1 ILE 16 0.671 2.017 -3.075 122 3HD1 ILE 16 HD1 ILE 16 0.785 3.757 -2.735 123 H VAL 17 H VAL 17 -1.236 3.695 1.710 124 HA VAL 17 HA VAL 17 -1.684 1.377 3.264 125 HB VAL 17 HB VAL 17 -0.803 4.210 3.746 126 1HG1 VAL 17 HG1 VAL 17 -0.557 3.644 6.208 127 2HG1 VAL 17 HG1 VAL 17 -2.224 3.952 5.678 128 3HG1 VAL 17 HG1 VAL 17 -1.667 2.279 5.939 129 1HG2 VAL 17 HG2 VAL 17 0.350 1.505 4.560 130 2HG2 VAL 17 HG2 VAL 17 0.717 2.335 3.026 131 3HG2 VAL 17 HG2 VAL 17 1.184 3.077 4.573 132 H ASN 18 H ASN 18 -3.491 4.509 3.174 133 HA ASN 18 HA ASN 18 -5.326 3.783 5.257 134 1HB ASN 18 HB1 ASN 18 -5.252 5.870 3.072 135 2HB ASN 18 HB2 ASN 18 -6.726 5.641 4.036 136 1HD2 ASN 18 HD2 ASN 18 -3.187 6.238 4.324 137 2HD2 ASN 18 HD2 ASN 18 -3.286 7.117 5.835 138 H TYR 19 H TYR 19 -5.401 3.465 1.703 139 HA TYR 19 HA TYR 19 -8.092 2.638 1.431 140 1HB TYR 19 HB2 TYR 19 -7.119 3.151 -0.591 141 2HB TYR 19 HB1 TYR 19 -5.556 2.452 -0.141 142 HD1 TYR 19 HD1 TYR 19 -9.084 1.316 -0.732 143 HD2 TYR 19 HD2 TYR 19 -4.887 0.510 -1.208 144 HE1 TYR 19 HE1 TYR 19 -9.616 -0.748 -1.976 145 HE2 TYR 19 HE2 TYR 19 -5.430 -1.560 -2.460 146 HH TYR 19 HH TYR 19 -7.087 -2.831 -3.412 147 H MET 20 H MET 20 -5.084 0.630 1.599 148 HA MET 20 HA MET 20 -6.428 -1.859 1.607 149 1HB MET 20 HB2 MET 20 -3.791 -0.973 1.584 150 2HB MET 20 HB1 MET 20 -3.920 -1.767 3.167 151 1HG MET 20 HG2 MET 20 -4.632 -2.951 0.455 152 2HG MET 20 HG1 MET 20 -3.239 -3.383 1.457 153 1HE MET 20 HE1 MET 20 -3.849 -5.885 1.087 154 2HE MET 20 HE2 MET 20 -5.407 -6.625 1.517 155 3HE MET 20 HE3 MET 20 -5.313 -5.478 0.163 156 H LYS 21 H LYS 21 -5.442 0.334 4.271 157 HA LYS 21 HA LYS 21 -6.093 -1.328 6.445 158 1HB LYS 21 H LYS 21 -4.959 0.960 6.460 159 2HB LYS 21 H LYS 21 -6.572 1.674 6.284 160 1HG LYS 21 H LYS 21 -6.766 -0.240 8.398 161 2HG LYS 21 H LYS 21 -5.258 0.657 8.668 162 1HD LYS 21 H LYS 21 -6.850 1.957 9.791 163 2HD LYS 21 H LYS 21 -6.671 2.788 8.227 164 1HE LYS 21 H LYS 21 -8.684 1.728 7.378 165 2HE LYS 21 H LYS 21 -8.809 0.707 8.827 166 1HZ LYS 21 H LYS 21 -9.245 2.607 10.117 167 2HZ LYS 21 H LYS 21 -10.255 2.675 8.816 168 3HZ LYS 21 H LYS 21 -8.916 3.647 8.874 169 H THR 22 H THR 22 -8.161 0.935 4.551 170 HA THR 22 HA THR 22 -10.522 0.526 6.095 171 HB THR 22 HB THR 22 -10.205 1.341 3.168 172 HG1 THR 22 HG1 THR 22 -9.077 2.714 4.514 173 1HG2 THR 22 HG2 THR 22 -12.518 0.740 3.675 174 2HG2 THR 22 HG2 THR 22 -12.388 2.512 3.610 175 3HG2 THR 22 HG2 THR 22 -12.471 1.684 5.183 176 H ARG 23 H ARG 23 -9.391 -1.063 3.019 177 HA ARG 23 HA ARG 23 -11.700 -2.685 2.691 178 1HB ARG 23 H ARG 23 -8.951 -2.579 1.617 179 2HB ARG 23 H ARG 23 -9.620 -4.226 1.682 180 1HG ARG 23 H ARG 23 -11.669 -3.439 0.509 181 2HG ARG 23 H ARG 23 -10.991 -1.796 0.448 182 1HD ARG 23 H ARG 23 -10.440 -2.609 -1.652 183 2HD ARG 23 H ARG 23 -8.959 -2.957 -0.741 184 HE ARG 23 H ARG 23 -10.040 -5.298 -0.439 185 1HH1 ARG 23 H ARG 23 -10.055 -3.272 -3.372 186 2HH1 ARG 23 H ARG 23 -10.471 -4.604 -4.430 187 1HH2 ARG 23 H ARG 23 -10.811 -6.989 -1.850 188 2HH2 ARG 23 H ARG 23 -10.858 -6.708 -3.578 189 H HIS 24 H HIS 24 -8.599 -3.359 4.382 190 HA HIS 24 HA HIS 24 -9.269 -5.956 5.315 191 1HB HIS 24 HB2 HIS 24 -7.002 -5.135 5.326 192 2HB HIS 24 HB1 HIS 24 -7.444 -3.760 6.352 193 HD1 HIS 24 HD1 HIS 24 -6.102 -7.176 6.521 194 HD2 HIS 24 HD2 HIS 24 -8.228 -4.635 9.058 195 HE1 HIS 24 HE1 HIS 24 -5.851 -8.065 8.891 196 H GLN 25 H GLN 25 -9.877 -2.692 6.677 197 HA GLN 25 HA GLN 25 -10.883 -3.533 9.195 198 1HB GLN 25 HB2 GLN 25 -10.222 -1.166 8.306 199 2HB GLN 25 HB1 GLN 25 -11.883 -1.095 7.691 200 1HG GLN 25 HG2 GLN 25 -11.993 -0.101 9.835 201 2HG GLN 25 HG1 GLN 25 -12.598 -1.749 10.082 202 1HE2 GLN 25 HE2 GLN 25 -11.552 -3.074 11.546 203 2HE2 GLN 25 HE2 GLN 25 -10.065 -2.651 12.366 204 H ARG 26 H ARG 26 -12.478 -2.981 6.026 205 HA ARG 26 HA ARG 26 -15.155 -3.398 6.947 206 1HB ARG 26 H ARG 26 -13.792 -3.572 4.237 207 2HB ARG 26 H ARG 26 -15.533 -3.863 4.445 208 1HG ARG 26 H ARG 26 -15.945 -1.645 5.162 209 2HG ARG 26 H ARG 26 -14.234 -1.353 5.553 210 1HD ARG 26 H ARG 26 -14.929 -0.211 3.449 211 2HD ARG 26 H ARG 26 -13.638 -1.404 3.184 212 HE ARG 26 H ARG 26 -16.272 -2.551 2.804 213 1HH1 ARG 26 H ARG 26 -13.819 -0.493 1.286 214 2HH1 ARG 26 H ARG 26 -14.250 -0.948 -0.346 215 1HH2 ARG 26 H ARG 26 -16.842 -3.140 0.644 216 2HH2 ARG 26 H ARG 26 -15.987 -2.442 -0.711 217 H GLY 27 H GLY 27 -12.707 -5.593 5.461 218 1HA GLY 27 HA2 GLY 27 -13.222 -7.895 6.828 219 2HA GLY 27 HA1 GLY 27 -14.524 -7.885 5.618 220 H ASP 28 H ASP 28 -12.576 -6.316 3.771 221 HA ASP 28 HA ASP 28 -11.469 -8.680 2.462 222 1HB ASP 28 H ASP 28 -12.574 -6.730 1.307 223 2HB ASP 28 H ASP 28 -11.173 -5.742 1.758 224 H THR 29 H THR 29 -10.173 -9.100 4.526 225 HA THR 29 HA THR 29 -7.754 -7.445 4.855 226 HB THR 29 HB THR 29 -8.651 -8.197 6.906 227 HG1 THR 29 HG1 THR 29 -6.590 -9.962 6.073 228 1HG2 THR 29 HG2 THR 29 -10.254 -9.809 6.325 229 2HG2 THR 29 HG2 THR 29 -9.053 -10.732 7.250 230 3HG2 THR 29 HG2 THR 29 -9.069 -10.829 5.473 231 H HIS 30 H HIS 30 -8.742 -9.896 2.728 232 HA HIS 30 HA HIS 30 -6.503 -11.631 2.754 233 1HB HIS 30 HB2 HIS 30 -7.467 -12.618 0.915 234 2HB HIS 30 HB1 HIS 30 -8.871 -11.776 1.592 235 HD1 HIS 30 HD1 HIS 30 -8.906 -9.047 0.520 236 HD2 HIS 30 HD2 HIS 30 -7.378 -12.195 -1.779 237 HE1 HIS 30 HE1 HIS 30 -8.959 -8.331 -1.909 238 HA PRO 31 HA PRO 31 -3.231 -9.297 0.964 239 1HB PRO 31 HB2 PRO 31 -2.445 -11.511 -0.780 240 2HB PRO 31 HB1 PRO 31 -1.595 -10.858 0.645 241 1HG PRO 31 HG1 PRO 31 -3.002 -13.323 0.462 242 2HG PRO 31 HG2 PRO 31 -2.403 -12.549 1.955 243 1HD PRO 31 HD1 PRO 31 -5.151 -12.799 0.995 244 2HD PRO 31 HD2 PRO 31 -4.552 -12.218 2.577 245 H LEU 32 H LEU 32 -2.749 -8.049 -0.858 246 HA LEU 32 HA LEU 32 -4.147 -8.702 -3.413 247 1HB LEU 32 HB2 LEU 32 -4.207 -6.120 -1.820 248 2HB LEU 32 HB1 LEU 32 -4.362 -6.095 -3.588 249 HG LEU 32 HG LEU 32 -6.200 -7.520 -1.613 250 1HD1 LEU 32 HD1 LEU 32 -6.455 -5.036 -1.909 251 2HD1 LEU 32 HD1 LEU 32 -7.863 -5.951 -2.491 252 3HD1 LEU 32 HD1 LEU 32 -6.684 -5.301 -3.658 253 1HD2 LEU 32 HD2 LEU 32 -5.944 -7.672 -4.628 254 2HD2 LEU 32 HD2 LEU 32 -6.191 -8.992 -3.470 255 3HD2 LEU 32 HD2 LEU 32 -7.524 -7.884 -3.851 256 H THR 33 H THR 33 -2.830 -8.411 -5.212 257 HA THR 33 HA THR 33 -0.026 -7.970 -4.885 258 HB THR 33 HB THR 33 -0.002 -7.772 -7.383 259 HG1 THR 33 HG1 THR 33 -2.813 -8.061 -7.140 260 1HG2 THR 33 HG2 THR 33 -1.020 -10.012 -7.858 261 2HG2 THR 33 HG2 THR 33 0.055 -9.999 -6.442 262 3HG2 THR 33 HG2 THR 33 -1.709 -9.996 -6.223 263 H LEU 34 H LEU 34 1.168 -6.238 -6.158 264 HA LEU 34 HA LEU 34 0.597 -3.661 -5.156 265 1HB LEU 34 HB2 LEU 34 2.742 -4.838 -6.273 266 2HB LEU 34 HB1 LEU 34 2.133 -4.015 -7.724 267 HG LEU 34 HG LEU 34 2.627 -2.610 -5.058 268 1HD1 LEU 34 HD1 LEU 34 4.389 -2.831 -7.525 269 2HD1 LEU 34 HD1 LEU 34 4.684 -1.746 -6.147 270 3HD1 LEU 34 HD1 LEU 34 4.728 -3.507 -5.917 271 1HD2 LEU 34 HD2 LEU 34 2.696 -0.605 -6.676 272 2HD2 LEU 34 HD2 LEU 34 1.971 -1.696 -7.881 273 3HD2 LEU 34 HD2 LEU 34 1.102 -1.328 -6.373 274 H ASP 35 H ASP 35 0.099 -5.078 -8.441 275 HA ASP 35 HA ASP 35 -1.081 -2.815 -9.634 276 1HB ASP 35 H ASP 35 -1.600 -5.758 -10.206 277 2HB ASP 35 H ASP 35 -1.891 -4.400 -11.315 278 H GLU 36 H GLU 36 -2.639 -5.567 -7.860 279 HA GLU 36 HA GLU 36 -5.329 -4.808 -8.294 280 1HB GLU 36 H GLU 36 -3.899 -6.323 -6.106 281 2HB GLU 36 H GLU 36 -5.639 -5.978 -5.988 282 1HG GLU 36 H GLU 36 -6.080 -7.107 -8.094 283 2HG GLU 36 H GLU 36 -4.347 -7.306 -8.410 284 H ILE 37 H ILE 37 -2.880 -3.487 -6.090 285 HA ILE 37 HA ILE 37 -4.821 -1.913 -4.571 286 HB ILE 37 HB ILE 37 -1.779 -1.994 -4.749 287 1HG1 ILE 37 HG1 ILE 37 -3.528 -2.554 -2.340 288 2HG1 ILE 37 HG1 ILE 37 -3.253 -3.806 -3.569 289 1HG2 ILE 37 HG2 ILE 37 -3.535 -0.220 -3.013 290 2HG2 ILE 37 HG2 ILE 37 -2.418 0.322 -4.286 291 3HG2 ILE 37 HG2 ILE 37 -1.784 -0.438 -2.817 292 1HD1 ILE 37 HD1 ILE 37 -1.602 -4.043 -1.779 293 2HD1 ILE 37 HD1 ILE 37 -1.110 -2.345 -1.966 294 3HD1 ILE 37 HD1 ILE 37 -0.786 -3.512 -3.267 295 H LEU 38 H LEU 38 -2.468 -1.305 -7.272 296 HA LEU 38 HA LEU 38 -2.812 1.494 -7.458 297 1HB LEU 38 HB2 LEU 38 -2.483 -0.474 -9.768 298 2HB LEU 38 HB1 LEU 38 -2.153 1.261 -9.816 299 HG LEU 38 HG LEU 38 -0.652 -0.873 -8.300 300 1HD1 LEU 38 HD1 LEU 38 0.036 -0.626 -10.599 301 2HD1 LEU 38 HD1 LEU 38 0.101 1.142 -10.437 302 3HD1 LEU 38 HD1 LEU 38 1.273 0.133 -9.569 303 1HD2 LEU 38 HD2 LEU 38 -0.848 1.022 -6.758 304 2HD2 LEU 38 HD2 LEU 38 -0.370 2.142 -8.053 305 3HD2 LEU 38 HD2 LEU 38 0.798 0.968 -7.421 306 H ASP 39 H ASP 39 -4.722 -1.187 -8.846 307 HA ASP 39 HA ASP 39 -6.429 0.187 -10.529 308 1HB ASP 39 H ASP 39 -6.320 -2.266 -10.249 309 2HB ASP 39 H ASP 39 -7.115 -2.115 -8.668 310 H GLU 40 H GLU 40 -6.890 -0.358 -6.989 311 HA GLU 40 HA GLU 40 -9.394 1.096 -6.998 312 1HB GLU 40 H GLU 40 -8.629 -0.855 -5.473 313 2HB GLU 40 H GLU 40 -7.753 0.390 -4.555 314 1HG GLU 40 H GLU 40 -9.670 0.960 -3.517 315 2HG GLU 40 H GLU 40 -10.360 1.438 -5.070 316 H THR 41 H THR 41 -6.082 1.792 -5.682 317 HA THR 41 HA THR 41 -6.835 4.378 -4.649 318 HB THR 41 HB THR 41 -4.386 4.698 -4.393 319 HG1 THR 41 HG1 THR 41 -4.256 2.098 -5.554 320 1HG2 THR 41 HG2 THR 41 -4.087 2.491 -3.015 321 2HG2 THR 41 HG2 THR 41 -5.348 3.649 -2.538 322 3HG2 THR 41 HG2 THR 41 -5.778 2.183 -3.454 323 H GLN 42 H GLN 42 -6.593 3.379 -7.859 324 HA GLN 42 HA GLN 42 -6.581 4.539 -9.829 325 1HB GLN 42 HB1 GLN 42 -6.585 7.157 -8.289 326 2HB GLN 42 HB2 GLN 42 -7.288 6.797 -9.880 327 1HG GLN 42 HG1 GLN 42 -8.877 5.197 -8.705 328 2HG GLN 42 HG2 GLN 42 -8.270 5.840 -7.163 329 1HE2 GLN 42 HE2 GLN 42 -8.123 8.427 -7.263 330 2HE2 GLN 42 HE2 GLN 42 -9.612 9.192 -7.776 331 H HIS 43 H HIS 43 -4.176 3.617 -8.893 332 HA HIS 43 HA HIS 43 -2.278 5.791 -9.680 333 1HB HIS 43 HB1 HIS 43 -1.873 3.556 -7.659 334 2HB HIS 43 HB2 HIS 43 -0.665 4.762 -8.124 335 HD1 HIS 43 HD1 HIS 43 -3.061 7.098 -8.075 336 HD2 HIS 43 HD2 HIS 43 -1.800 4.562 -4.999 337 HE1 HIS 43 HE1 HIS 43 -3.697 8.170 -5.862 338 H LEU 44 H LEU 44 -3.531 4.057 -11.566 339 HA LEU 44 HA LEU 44 -1.792 1.781 -12.048 340 1HB LEU 44 HB2 LEU 44 -3.835 3.192 -13.810 341 2HB LEU 44 HB1 LEU 44 -3.012 1.668 -14.212 342 HG LEU 44 HG LEU 44 -3.920 1.052 -11.698 343 1HD1 LEU 44 HD1 LEU 44 -6.391 1.875 -11.790 344 2HD1 LEU 44 HD1 LEU 44 -5.171 3.048 -11.260 345 3HD1 LEU 44 HD1 LEU 44 -5.813 3.118 -12.916 346 1HD2 LEU 44 HD2 LEU 44 -4.236 -0.280 -13.762 347 2HD2 LEU 44 HD2 LEU 44 -5.496 0.850 -14.314 348 3HD2 LEU 44 HD2 LEU 44 -5.765 -0.144 -12.862 349 H ASP 45 H ASP 45 -2.242 5.032 -13.542 350 HA ASP 45 HA ASP 45 0.244 4.744 -15.081 351 1HB ASP 45 H ASP 45 -1.640 7.110 -14.700 352 2HB ASP 45 H ASP 45 -0.331 6.997 -15.896 353 H ILE 46 H ILE 46 0.670 4.396 -12.330 354 HA ILE 46 HA ILE 46 1.438 6.843 -11.024 355 HB ILE 46 HB ILE 46 0.743 4.774 -9.862 356 1HG1 ILE 46 HG1 ILE 46 3.468 5.928 -9.280 357 2HG1 ILE 46 HG1 ILE 46 1.918 6.315 -8.514 358 1HG2 ILE 46 HG2 ILE 46 3.466 3.636 -10.565 359 2HG2 ILE 46 HG2 ILE 46 2.006 3.241 -11.496 360 3HG2 ILE 46 HG2 ILE 46 2.103 2.811 -9.778 361 1HD1 ILE 46 HD1 ILE 46 1.843 3.911 -7.683 362 2HD1 ILE 46 HD1 ILE 46 3.139 4.904 -6.981 363 3HD1 ILE 46 HD1 ILE 46 3.519 3.728 -8.264 364 H GLY 47 H GLY 47 3.080 4.399 -13.014 365 1HA GLY 47 HA1 GLY 47 5.005 5.019 -14.341 366 2HA GLY 47 HA2 GLY 47 5.527 6.107 -13.032 367 H LEU 48 H LEU 48 6.541 3.442 -14.449 368 HA LEU 48 HA LEU 48 6.612 1.368 -12.576 369 1HB LEU 48 HB2 LEU 48 7.613 1.793 -15.098 370 2HB LEU 48 HB1 LEU 48 9.112 1.817 -14.144 371 HG LEU 48 HG LEU 48 7.005 -0.393 -13.993 372 1HD1 LEU 48 HD1 LEU 48 8.092 -0.292 -16.222 373 2HD1 LEU 48 HD1 LEU 48 9.690 -0.326 -15.439 374 3HD1 LEU 48 HD1 LEU 48 8.607 -1.732 -15.313 375 1HD2 LEU 48 HD2 LEU 48 9.771 0.001 -12.794 376 2HD2 LEU 48 HD2 LEU 48 8.248 -0.391 -11.961 377 3HD2 LEU 48 HD2 LEU 48 9.043 -1.612 -12.974 378 H LYS 49 H LYS 49 8.624 4.319 -12.780 379 HA LYS 49 HA LYS 49 10.674 3.687 -11.010 380 1HB LYS 49 H LYS 49 10.581 5.790 -12.246 381 2HB LYS 49 H LYS 49 9.115 6.284 -11.371 382 1HG LYS 49 H LYS 49 11.106 7.412 -10.449 383 2HG LYS 49 H LYS 49 10.395 6.322 -9.239 384 1HD LYS 49 H LYS 49 12.094 4.638 -9.658 385 2HD LYS 49 H LYS 49 12.708 5.535 -11.069 386 1HE LYS 49 H LYS 49 13.394 7.396 -9.606 387 2HE LYS 49 H LYS 49 12.725 6.552 -8.192 388 1HZ LYS 49 H LYS 49 14.928 5.585 -9.879 389 2HZ LYS 49 H LYS 49 15.081 6.247 -8.376 390 3HZ LYS 49 H LYS 49 14.307 4.803 -8.566 391 H GLN 50 H GLN 50 7.328 4.781 -10.262 392 HA GLN 50 HA GLN 50 7.792 4.746 -7.389 393 1HB GLN 50 HB2 GLN 50 5.274 4.951 -9.068 394 2HB GLN 50 HB1 GLN 50 5.347 5.164 -7.305 395 1HG GLN 50 HG1 GLN 50 7.188 6.943 -7.828 396 2HG GLN 50 HG2 GLN 50 6.544 6.898 -9.484 397 1HE2 GLN 50 HE2 GLN 50 5.266 7.006 -6.097 398 2HE2 GLN 50 HE2 GLN 50 4.053 8.224 -6.418 399 H LYS 51 H LYS 51 6.006 2.655 -9.759 400 HA LYS 51 HA LYS 51 4.924 0.797 -7.968 401 1HB LYS 51 H LYS 51 4.503 0.847 -10.419 402 2HB LYS 51 H LYS 51 6.152 0.248 -10.709 403 1HG LYS 51 H LYS 51 5.662 -1.817 -9.476 404 2HG LYS 51 H LYS 51 4.043 -1.215 -9.060 405 1HD LYS 51 H LYS 51 4.887 -1.402 -11.965 406 2HD LYS 51 H LYS 51 4.339 -2.859 -11.101 407 1HE LYS 51 H LYS 51 2.260 -1.598 -10.430 408 2HE LYS 51 H LYS 51 2.785 -0.262 -11.479 409 1HZ LYS 51 H LYS 51 2.870 -2.043 -13.250 410 2HZ LYS 51 H LYS 51 1.383 -1.520 -12.766 411 3HZ LYS 51 H LYS 51 1.958 -2.972 -12.226 412 H GLN 52 H GLN 52 8.200 0.749 -9.490 413 HA GLN 52 HA GLN 52 9.102 -1.642 -8.300 414 1HB GLN 52 HB2 GLN 52 10.101 0.198 -10.089 415 2HB GLN 52 HB1 GLN 52 11.116 0.518 -8.670 416 1HG GLN 52 HG2 GLN 52 10.651 -2.204 -9.973 417 2HG GLN 52 HG1 GLN 52 12.111 -1.208 -10.150 418 1HE2 GLN 52 HE2 GLN 52 12.960 -0.422 -7.827 419 2HE2 GLN 52 HE2 GLN 52 13.139 -1.718 -6.667 420 H TRP 53 H TRP 53 9.439 1.789 -7.193 421 HA TRP 53 HA TRP 53 10.906 1.283 -4.845 422 1HB TRP 53 HB2 TRP 53 10.679 3.536 -5.482 423 2HB TRP 53 HB1 TRP 53 8.925 3.410 -5.667 424 HD1 TRP 53 HD1 TRP 53 11.391 2.939 -2.755 425 HE1 TRP 53 HE1 TRP 53 10.454 4.010 -0.614 426 HE3 TRP 53 HE3 TRP 53 6.966 4.710 -4.619 427 HZ2 TRP 53 HZ2 TRP 53 8.091 5.411 0.170 428 HZ3 TRP 53 HZ3 TRP 53 5.395 5.898 -3.140 429 HH2 TRP 53 HH2 TRP 53 5.953 6.270 -0.755 430 H LEU 54 H LEU 54 7.330 1.544 -5.255 431 HA LEU 54 HA LEU 54 6.609 1.032 -2.606 432 1HB LEU 54 HB2 LEU 54 5.227 0.368 -5.231 433 2HB LEU 54 HB1 LEU 54 4.448 0.169 -3.649 434 HG LEU 54 HG LEU 54 5.652 2.810 -4.572 435 1HD1 LEU 54 HD1 LEU 54 2.787 1.798 -4.797 436 2HD1 LEU 54 HD1 LEU 54 3.886 2.155 -6.150 437 3HD1 LEU 54 HD1 LEU 54 3.309 3.471 -5.102 438 1HD2 LEU 54 HD2 LEU 54 3.772 1.949 -2.338 439 2HD2 LEU 54 HD2 LEU 54 3.957 3.646 -2.839 440 3HD2 LEU 54 HD2 LEU 54 5.350 2.757 -2.190 441 H MET 55 H MET 55 7.253 -1.219 -5.286 442 HA MET 55 HA MET 55 6.361 -3.566 -4.024 443 1HB MET 55 HB2 MET 55 6.958 -3.077 -6.490 444 2HB MET 55 HB1 MET 55 8.642 -3.406 -6.038 445 1HG MET 55 HG2 MET 55 6.390 -5.346 -5.437 446 2HG MET 55 HG1 MET 55 7.237 -5.349 -6.987 447 1HE MET 55 HE1 MET 55 8.577 -8.568 -5.226 448 2HE MET 55 HE2 MET 55 6.944 -7.873 -5.098 449 3HE MET 55 HE3 MET 55 7.782 -7.894 -6.668 450 H THR 56 H THR 56 9.782 -2.274 -4.214 451 HA THR 56 HA THR 56 10.410 -4.210 -2.025 452 HB THR 56 HB THR 56 11.393 -4.970 -4.081 453 HG1 THR 56 HG1 THR 56 13.323 -3.710 -2.426 454 1HG2 THR 56 HG2 THR 56 11.445 -2.900 -5.365 455 2HG2 THR 56 HG2 THR 56 12.620 -2.182 -4.244 456 3HG2 THR 56 HG2 THR 56 13.092 -3.555 -5.270 457 H GLU 57 H GLU 57 9.492 -1.716 -1.245 458 HA GLU 57 HA GLU 57 11.721 -0.967 0.411 459 1HB GLU 57 H GLU 57 12.186 0.338 -1.755 460 2HB GLU 57 H GLU 57 10.736 1.282 -1.355 461 1HG GLU 57 H GLU 57 11.760 1.687 0.947 462 2HG GLU 57 H GLU 57 13.254 0.956 0.329 463 H ALA 58 H ALA 58 8.779 0.674 -0.903 464 HA ALA 58 HA ALA 58 8.038 1.718 1.641 465 1HB ALA 58 HB1 ALA 58 6.113 2.519 0.546 466 2HB ALA 58 HB2 ALA 58 6.111 1.194 -0.632 467 3HB ALA 58 HB3 ALA 58 7.347 2.467 -0.731 468 H LEU 59 H LEU 59 6.216 -0.741 -0.280 469 HA LEU 59 HA LEU 59 4.561 -1.505 1.880 470 1HB LEU 59 HB2 LEU 59 5.372 -3.050 -0.617 471 2HB LEU 59 HB1 LEU 59 3.982 -3.424 0.418 472 HG LEU 59 HG LEU 59 4.409 -0.869 -1.203 473 1HD1 LEU 59 HD1 LEU 59 2.304 -3.064 -1.358 474 2HD1 LEU 59 HD1 LEU 59 3.677 -2.874 -2.475 475 3HD1 LEU 59 HD1 LEU 59 2.406 -1.629 -2.405 476 1HD2 LEU 59 HD2 LEU 59 3.302 -0.171 0.807 477 2HD2 LEU 59 HD2 LEU 59 2.290 -1.635 0.842 478 3HD2 LEU 59 HD2 LEU 59 2.016 -0.391 -0.398 479 H VAL 60 H VAL 60 7.838 -2.484 1.056 480 HA VAL 60 HA VAL 60 7.788 -4.924 2.622 481 HB VAL 60 HB VAL 60 10.123 -3.230 1.625 482 1HG1 VAL 60 HG1 VAL 60 10.812 -4.801 3.378 483 2HG1 VAL 60 HG1 VAL 60 9.931 -6.123 2.575 484 3HG1 VAL 60 HG1 VAL 60 11.359 -5.401 1.794 485 1HG2 VAL 60 HG2 VAL 60 8.858 -3.877 -0.281 486 2HG2 VAL 60 HG2 VAL 60 8.487 -5.478 0.402 487 3HG2 VAL 60 HG2 VAL 60 10.138 -5.105 -0.143 488 H ASN 61 H ASN 61 9.032 -1.566 3.120 489 HA ASN 61 HA ASN 61 9.468 -2.222 5.994 490 1HB ASN 61 HB2 ASN 61 10.401 0.141 4.313 491 2HB ASN 61 HB1 ASN 61 10.805 -0.148 6.017 492 1HD2 ASN 61 HD2 ASN 61 11.350 -1.155 2.678 493 2HD2 ASN 61 HD2 ASN 61 12.724 -2.194 3.003 494 H ASN 62 H ASN 62 6.933 -2.217 5.932 495 HA ASN 62 HA ASN 62 6.129 0.445 6.934 496 1HB ASN 62 HB1 ASN 62 5.448 0.244 4.510 497 2HB ASN 62 HB2 ASN 62 4.414 -1.113 4.975 498 1HD2 ASN 62 HD2 ASN 62 4.330 2.085 4.264 499 2HD2 ASN 62 HD2 ASN 62 3.006 2.611 5.278 500 HA PRO 63 HA PRO 63 4.974 -2.519 10.067 501 1HB PRO 63 HB1 PRO 63 3.523 -0.517 11.552 502 2HB PRO 63 HB2 PRO 63 5.141 -1.191 11.890 503 1HG PRO 63 HG1 PRO 63 4.457 1.431 10.831 504 2HG PRO 63 HG2 PRO 63 6.070 0.790 11.253 505 1HD PRO 63 HD1 PRO 63 4.975 1.230 8.627 506 2HD PRO 63 HD2 PRO 63 6.562 0.520 9.052 507 H LYS 64 H LYS 64 2.731 -0.446 8.277 508 HA LYS 64 HA LYS 64 0.396 -1.970 9.264 509 1HB LYS 64 H LYS 64 0.630 0.427 7.401 510 2HB LYS 64 H LYS 64 -0.895 -0.311 7.938 511 1HG LYS 64 H LYS 64 -0.282 0.148 10.305 512 2HG LYS 64 H LYS 64 1.237 0.896 9.762 513 1HD LYS 64 H LYS 64 -0.370 2.667 10.187 514 2HD LYS 64 H LYS 64 -0.117 2.556 8.432 515 1HE LYS 64 H LYS 64 -2.227 1.639 8.049 516 2HE LYS 64 H LYS 64 -2.345 0.947 9.679 517 1HZ LYS 64 H LYS 64 -3.761 2.920 9.188 518 2HZ LYS 64 H LYS 64 -2.845 3.015 10.559 519 3HZ LYS 64 H LYS 64 -2.388 3.835 9.198 520 H ILE 65 H ILE 65 2.721 -2.847 7.217 521 HA ILE 65 HA ILE 65 0.794 -4.171 5.366 522 HB ILE 65 HB ILE 65 3.470 -2.968 4.537 523 1HG1 ILE 65 HG1 ILE 65 1.624 -1.253 4.997 524 2HG1 ILE 65 HG1 ILE 65 2.287 -1.250 3.355 525 1HG2 ILE 65 HG2 ILE 65 3.037 -4.874 3.184 526 2HG2 ILE 65 HG2 ILE 65 2.492 -3.489 2.217 527 3HG2 ILE 65 HG2 ILE 65 1.301 -4.501 3.066 528 1HD1 ILE 65 HD1 ILE 65 -0.237 -1.105 3.464 529 2HD1 ILE 65 HD1 ILE 65 0.376 -2.461 2.492 530 3HD1 ILE 65 HD1 ILE 65 -0.248 -2.750 4.129 531 H GLU 66 H GLU 66 1.480 -6.227 4.616 532 HA GLU 66 HA GLU 66 3.997 -7.323 5.701 533 1HB GLU 66 H GLU 66 2.191 -7.764 7.403 534 2HB GLU 66 H GLU 66 1.272 -8.629 6.154 535 1HG GLU 66 H GLU 66 2.585 -10.182 7.586 536 2HG GLU 66 H GLU 66 3.108 -10.249 5.892 537 H VAL 67 H VAL 67 4.845 -8.958 4.378 538 HA VAL 67 HA VAL 67 3.484 -9.218 1.748 539 HB VAL 67 HB VAL 67 6.297 -10.040 2.589 540 1HG1 VAL 67 HG1 VAL 67 6.692 -9.969 0.126 541 2HG1 VAL 67 HG1 VAL 67 5.453 -11.170 0.560 542 3HG1 VAL 67 HG1 VAL 67 4.969 -9.601 -0.128 543 1HG2 VAL 67 HG2 VAL 67 6.113 -7.649 2.895 544 2HG2 VAL 67 HG2 VAL 67 5.198 -7.470 1.381 545 3HG2 VAL 67 HG2 VAL 67 6.920 -7.912 1.331 546 H ILE 68 H ILE 68 2.468 -11.066 1.149 547 HA ILE 68 HA ILE 68 2.900 -13.472 2.876 548 HB ILE 68 HB ILE 68 0.407 -12.834 1.241 549 1HG1 ILE 68 HG1 ILE 68 0.787 -11.001 2.896 550 2HG1 ILE 68 HG1 ILE 68 -0.638 -11.980 3.279 551 1HG2 ILE 68 HG2 ILE 68 0.512 -15.158 1.869 552 2HG2 ILE 68 HG2 ILE 68 1.098 -14.765 3.497 553 3HG2 ILE 68 HG2 ILE 68 -0.579 -14.389 3.038 554 1HD1 ILE 68 HD1 ILE 68 0.592 -13.212 4.992 555 2HD1 ILE 68 HD1 ILE 68 0.761 -11.469 5.290 556 3HD1 ILE 68 HD1 ILE 68 2.099 -12.377 4.559 557 H ASP 69 H ASP 69 0.987 -14.303 0.245 558 HA ASP 69 HA ASP 69 3.211 -15.706 -1.018 559 1HB ASP 69 H ASP 69 1.008 -16.778 -0.648 560 2HB ASP 69 H ASP 69 0.238 -15.562 -1.688 561 H GLY 70 H GLY 70 4.206 -13.451 -1.468 562 1HA GLY 70 HA1 GLY 70 4.980 -12.134 -3.216 563 2HA GLY 70 HA2 GLY 70 3.759 -12.852 -4.289 564 H LYS 71 H LYS 71 1.451 -12.254 -2.596 565 HA LYS 71 HA LYS 71 0.978 -9.537 -3.471 566 1HB LYS 71 H LYS 71 -0.666 -11.381 -1.710 567 2HB LYS 71 H LYS 71 -1.243 -9.896 -2.467 568 1HG LYS 71 H LYS 71 -0.387 -11.114 -4.679 569 2HG LYS 71 H LYS 71 -0.632 -12.574 -3.697 570 1HD LYS 71 H LYS 71 -2.957 -11.819 -3.188 571 2HD LYS 71 H LYS 71 -2.700 -10.384 -4.202 572 1HE LYS 71 H LYS 71 -2.060 -12.148 -6.058 573 2HE LYS 71 H LYS 71 -2.958 -13.279 -5.024 574 1HZ LYS 71 H LYS 71 -4.349 -12.242 -6.685 575 2HZ LYS 71 H LYS 71 -4.013 -10.737 -6.088 576 3HZ LYS 71 H LYS 71 -4.846 -11.830 -5.168 577 H TYR 72 H TYR 72 -0.061 -7.955 -1.899 578 HA TYR 72 HA TYR 72 1.536 -7.868 0.622 579 1HB TYR 72 HB1 TYR 72 0.404 -5.642 -1.113 580 2HB TYR 72 HB2 TYR 72 1.245 -5.407 0.431 581 HD1 TYR 72 HD1 TYR 72 3.658 -5.843 0.636 582 HD2 TYR 72 HD2 TYR 72 1.620 -6.266 -3.133 583 HE1 TYR 72 HE1 TYR 72 5.844 -5.884 -0.541 584 HE2 TYR 72 HE2 TYR 72 3.808 -6.312 -4.308 585 HH TYR 72 HH TYR 72 6.895 -5.815 -2.605 586 H ALA 73 H ALA 73 0.401 -8.176 2.409 587 HA ALA 73 HA ALA 73 -2.536 -7.652 2.377 588 1HB ALA 73 HB1 ALA 73 -2.591 -9.267 4.256 589 2HB ALA 73 HB2 ALA 73 -0.824 -9.464 4.133 590 3HB ALA 73 HB3 ALA 73 -1.875 -9.995 2.799 591 H PHE 74 H PHE 74 -3.353 -6.154 3.780 592 HA PHE 74 HA PHE 74 -1.584 -4.347 5.103 593 1HB PHE 74 HB2 PHE 74 -3.677 -3.519 4.426 594 2HB PHE 74 HB1 PHE 74 -4.559 -4.859 5.167 595 HD1 PHE 74 HD1 PHE 74 -4.894 -4.940 7.600 596 HD2 PHE 74 HD2 PHE 74 -2.974 -1.591 5.726 597 HE1 PHE 74 HE1 PHE 74 -5.313 -3.590 9.624 598 HE2 PHE 74 HE2 PHE 74 -3.367 -0.239 7.766 599 HZ PHE 74 HZ PHE 74 -4.564 -1.229 9.709 600 H LYS 75 H LYS 75 -0.811 -4.283 7.152 601 HA LYS 75 HA LYS 75 -1.232 -6.701 8.798 602 1HB LYS 75 H LYS 75 1.051 -5.747 8.046 603 2HB LYS 75 H LYS 75 0.778 -4.489 9.265 604 1HG LYS 75 H LYS 75 0.598 -6.169 11.031 605 2HG LYS 75 H LYS 75 0.679 -7.483 9.830 606 1HD LYS 75 H LYS 75 2.956 -6.559 9.136 607 2HD LYS 75 H LYS 75 2.873 -5.496 10.560 608 1HE LYS 75 H LYS 75 2.838 -7.360 12.067 609 2HE LYS 75 H LYS 75 2.517 -8.511 10.751 610 1HZ LYS 75 H LYS 75 4.983 -6.942 11.028 611 2HZ LYS 75 H LYS 75 4.674 -8.101 9.889 612 3HZ LYS 75 H LYS 75 4.810 -8.517 11.483 613 HA PRO 76 HA PRO 76 -3.941 -4.105 11.281 614 1HB PRO 76 HB1 PRO 76 -4.312 -6.099 13.267 615 2HB PRO 76 HB2 PRO 76 -5.376 -5.768 11.871 616 1HG PRO 76 HG2 PRO 76 -3.502 -8.001 12.289 617 2HG PRO 76 HG1 PRO 76 -4.789 -7.824 11.063 618 1HD PRO 76 HD1 PRO 76 -1.967 -7.568 10.666 619 2HD PRO 76 HD2 PRO 76 -3.263 -7.209 9.486 620 H LYS 77 H LYS 77 -3.092 -2.553 12.564 621 HA LYS 77 HA LYS 77 -1.755 -3.204 15.031 622 1HB LYS 77 H LYS 77 0.150 -3.630 13.535 623 2HB LYS 77 H LYS 77 -0.080 -2.057 12.747 624 1HG LYS 77 H LYS 77 1.749 -1.925 14.383 625 2HG LYS 77 H LYS 77 0.391 -0.921 14.929 626 1HD LYS 77 H LYS 77 -0.313 -2.604 16.523 627 2HD LYS 77 H LYS 77 0.830 -3.794 15.851 628 1HE LYS 77 H LYS 77 2.729 -2.377 16.555 629 2HE LYS 77 H LYS 77 1.599 -1.161 17.192 630 1HZ LYS 77 H LYS 77 2.428 -2.593 18.909 631 2HZ LYS 77 H LYS 77 1.847 -3.932 18.141 632 3HZ LYS 77 H LYS 77 0.801 -2.802 18.733 633 H TYR 78 H TYR 78 -1.160 -0.432 12.823 634 HA TYR 78 HA TYR 78 -2.279 1.372 14.867 635 1HB TYR 78 HB2 TYR 78 -0.854 1.882 12.231 636 2HB TYR 78 HB1 TYR 78 -1.332 3.131 13.392 637 HD1 TYR 78 HD1 TYR 78 -0.439 2.789 15.860 638 HD2 TYR 78 HD2 TYR 78 1.306 0.979 12.361 639 HE1 TYR 78 HE1 TYR 78 1.699 2.479 17.085 640 HE2 TYR 78 HE2 TYR 78 3.443 0.672 13.590 641 HH TYR 78 HH TYR 78 3.879 1.781 16.961 642 H ASN 79 H ASN 79 -4.442 0.226 14.356 643 HA ASN 79 HA ASN 79 -5.736 1.180 11.882 644 1HB ASN 79 HB2 ASN 79 -6.530 -0.654 14.165 645 2HB ASN 79 HB1 ASN 79 -7.701 -0.114 12.944 646 1HD2 ASN 79 HD2 ASN 79 -7.913 -1.328 11.148 647 2HD2 ASN 79 HD2 ASN 79 -6.730 -2.481 10.563 648 H VAL 80 H VAL 80 -4.824 3.128 13.992 649 HA VAL 80 HA VAL 80 -7.089 4.061 15.457 650 HB VAL 80 HB VAL 80 -4.685 4.629 15.921 651 1HG1 VAL 80 HG1 VAL 80 -4.082 5.049 13.492 652 2HG1 VAL 80 HG1 VAL 80 -3.547 6.320 14.614 653 3HG1 VAL 80 HG1 VAL 80 -4.981 6.581 13.597 654 1HG2 VAL 80 HG2 VAL 80 -6.585 5.962 16.843 655 2HG2 VAL 80 HG2 VAL 80 -6.487 7.042 15.432 656 3HG2 VAL 80 HG2 VAL 80 -5.129 6.949 16.577 657 H ARG 81 H ARG 81 -5.928 4.558 12.141 658 HA ARG 81 HA ARG 81 -8.530 5.604 11.370 659 1HB ARG 81 H ARG 81 -7.759 7.713 10.479 660 2HB ARG 81 H ARG 81 -7.293 7.643 12.186 661 1HG ARG 81 H ARG 81 -5.266 8.324 11.339 662 2HG ARG 81 H ARG 81 -5.046 6.577 11.119 663 1HD ARG 81 H ARG 81 -4.424 7.815 9.078 664 2HD ARG 81 H ARG 81 -5.815 6.774 8.767 665 HE ARG 81 H ARG 81 -5.891 9.743 9.114 666 1HH1 ARG 81 H ARG 81 -7.649 6.751 8.312 667 2HH1 ARG 81 H ARG 81 -8.754 7.553 7.218 668 1HH2 ARG 81 H ARG 81 -7.374 10.770 7.673 669 2HH2 ARG 81 H ARG 81 -8.667 9.847 6.943 Start of MODEL 20 1 1H ALA 1 H1 ALA 1 -4.423 24.143 -6.644 2 2H ALA 1 H2 ALA 1 -4.614 25.491 -5.710 3 3H ALA 1 H3 ALA 1 -4.313 24.030 -5.002 4 HA ALA 1 HA ALA 1 -2.469 25.467 -6.773 5 1HB ALA 1 HB1 ALA 1 -2.377 25.063 -3.755 6 2HB ALA 1 HB2 ALA 1 -1.134 25.866 -4.744 7 3HB ALA 1 HB3 ALA 1 -2.751 26.592 -4.586 8 H LEU 2 H LEU 2 -0.224 24.524 -6.600 9 HA LEU 2 HA LEU 2 -0.383 21.656 -7.016 10 1HB LEU 2 HB2 LEU 2 1.055 23.203 -8.366 11 2HB LEU 2 HB1 LEU 2 2.031 23.520 -6.915 12 HG LEU 2 HG LEU 2 2.391 20.961 -6.788 13 1HD1 LEU 2 HD1 LEU 2 0.609 20.237 -8.296 14 2HD1 LEU 2 HD1 LEU 2 1.276 21.222 -9.618 15 3HD1 LEU 2 HD1 LEU 2 2.174 19.809 -9.019 16 1HD2 LEU 2 HD2 LEU 2 4.128 22.550 -7.540 17 2HD2 LEU 2 HD2 LEU 2 4.196 21.044 -8.485 18 3HD2 LEU 2 HD2 LEU 2 3.463 22.505 -9.191 19 H SER 3 H SER 3 -1.055 20.860 -4.949 20 HA SER 3 HA SER 3 0.583 21.376 -2.589 21 1HB SER 3 HB1 SER 3 -0.969 19.693 -1.564 22 2HB SER 3 HB2 SER 3 -1.819 21.040 -2.357 23 HG SER 3 HG SER 3 -1.323 18.461 -3.450 24 H GLY 4 H GLY 4 2.526 20.639 -4.092 25 1HA GLY 4 HA1 GLY 4 2.868 17.784 -4.453 26 2HA GLY 4 HA2 GLY 4 4.110 19.045 -4.627 27 H SER 5 H SER 5 4.874 20.061 -2.525 28 HA SER 5 HA SER 5 6.119 19.718 -0.634 29 1HB SER 5 HB1 SER 5 4.800 19.281 1.336 30 2HB SER 5 HB2 SER 5 3.785 20.184 0.192 31 HG SER 5 HG SER 5 3.035 18.014 -0.490 32 H SER 6 H SER 6 5.079 17.232 1.152 33 HA SER 6 HA SER 6 7.169 15.427 0.092 34 1HB SER 6 HB1 SER 6 6.786 14.288 2.321 35 2HB SER 6 HB2 SER 6 7.321 15.981 2.437 36 HG SER 6 HG SER 6 5.525 15.485 3.805 37 H GLY 7 H GLY 7 4.490 15.744 -1.264 38 1HA GLY 7 HA1 GLY 7 2.981 13.335 -0.665 39 2HA GLY 7 HA2 GLY 7 2.744 14.441 -2.037 40 H TYR 8 H TYR 8 5.727 14.191 -2.686 41 HA TYR 8 HA TYR 8 5.543 12.253 -4.714 42 1HB TYR 8 HB1 TYR 8 7.156 14.168 -4.556 43 2HB TYR 8 HB2 TYR 8 8.041 13.275 -3.309 44 HD1 TYR 8 HD1 TYR 8 9.936 12.115 -4.014 45 HD2 TYR 8 HD2 TYR 8 6.681 12.680 -6.780 46 HE1 TYR 8 HE1 TYR 8 11.249 10.981 -5.793 47 HE2 TYR 8 HE2 TYR 8 7.995 11.551 -8.556 48 HH TYR 8 HH TYR 8 10.036 10.691 -9.144 49 H LYS 9 H LYS 9 5.280 10.122 -4.497 50 HA LYS 9 HA LYS 9 5.640 7.946 -3.902 51 1HB LYS 9 H LYS 9 7.841 8.622 -1.951 52 2HB LYS 9 H LYS 9 7.663 7.221 -3.014 53 1HG LYS 9 H LYS 9 7.839 9.206 -4.858 54 2HG LYS 9 H LYS 9 8.836 9.874 -3.551 55 1HD LYS 9 H LYS 9 9.218 7.004 -4.457 56 2HD LYS 9 H LYS 9 9.954 8.339 -5.369 57 1HE LYS 9 H LYS 9 11.562 7.504 -3.737 58 2HE LYS 9 H LYS 9 11.057 9.145 -3.281 59 1HZ LYS 9 H LYS 9 9.673 8.258 -1.628 60 2HZ LYS 9 H LYS 9 9.880 6.707 -2.149 61 3HZ LYS 9 H LYS 9 11.135 7.520 -1.457 62 H PHE 10 H PHE 10 6.460 9.851 -0.969 63 HA PHE 10 HA PHE 10 5.347 8.037 0.827 64 1HB PHE 10 HB2 PHE 10 5.502 11.014 1.295 65 2HB PHE 10 HB1 PHE 10 5.716 9.706 2.467 66 HD1 PHE 10 HD1 PHE 10 7.432 12.103 0.562 67 HD2 PHE 10 HD2 PHE 10 7.690 7.967 1.740 68 HE1 PHE 10 HE1 PHE 10 9.870 12.127 0.106 69 HE2 PHE 10 HE2 PHE 10 10.132 7.993 1.284 70 HZ PHE 10 HZ PHE 10 11.223 10.072 0.461 71 H GLY 11 H GLY 11 3.825 10.798 -0.875 72 1HA GLY 11 HA2 GLY 11 1.388 10.818 0.619 73 2HA GLY 11 HA1 GLY 11 1.619 11.444 -1.029 74 H VAL 12 H VAL 12 2.339 9.211 -2.467 75 HA VAL 12 HA VAL 12 -0.149 7.924 -2.939 76 HB VAL 12 HB VAL 12 2.703 7.184 -3.742 77 1HG1 VAL 12 HG1 VAL 12 1.341 5.187 -3.936 78 2HG1 VAL 12 HG1 VAL 12 1.507 5.878 -5.566 79 3HG1 VAL 12 HG1 VAL 12 -0.001 6.108 -4.652 80 1HG2 VAL 12 HG2 VAL 12 0.435 8.622 -5.198 81 2HG2 VAL 12 HG2 VAL 12 2.009 8.194 -5.911 82 3HG2 VAL 12 HG2 VAL 12 1.926 9.375 -4.582 83 H LEU 13 H LEU 13 2.776 6.931 -1.110 84 HA LEU 13 HA LEU 13 1.951 4.286 -0.519 85 1HB LEU 13 HB2 LEU 13 4.242 5.138 -0.218 86 2HB LEU 13 HB1 LEU 13 3.685 6.218 1.076 87 HG LEU 13 HG LEU 13 2.951 4.227 2.396 88 1HD1 LEU 13 HD1 LEU 13 4.004 2.797 -0.063 89 2HD1 LEU 13 HD1 LEU 13 2.466 2.552 0.795 90 3HD1 LEU 13 HD1 LEU 13 3.989 1.993 1.521 91 1HD2 LEU 13 HD2 LEU 13 5.834 4.345 1.426 92 2HD2 LEU 13 HD2 LEU 13 5.138 5.101 2.877 93 3HD2 LEU 13 HD2 LEU 13 5.311 3.332 2.794 94 H ALA 14 H ALA 14 1.508 7.374 1.303 95 HA ALA 14 HA ALA 14 0.147 6.265 3.525 96 1HB ALA 14 HB1 ALA 14 -0.680 8.569 3.867 97 2HB ALA 14 HB2 ALA 14 1.049 8.563 3.447 98 3HB ALA 14 HB3 ALA 14 -0.164 9.004 2.221 99 H LYS 15 H LYS 15 -1.072 7.503 0.372 100 HA LYS 15 HA LYS 15 -3.834 7.190 0.932 101 1HB LYS 15 H LYS 15 -3.059 8.504 -0.959 102 2HB LYS 15 H LYS 15 -2.245 7.093 -1.666 103 1HG LYS 15 H LYS 15 -4.301 7.383 -2.870 104 2HG LYS 15 H LYS 15 -4.516 5.973 -1.819 105 1HD LYS 15 H LYS 15 -5.696 7.405 -0.155 106 2HD LYS 15 H LYS 15 -5.490 8.801 -1.239 107 1HE LYS 15 H LYS 15 -7.690 7.971 -1.675 108 2HE LYS 15 H LYS 15 -6.689 7.408 -3.032 109 1HZ LYS 15 H LYS 15 -8.087 5.676 -2.177 110 2HZ LYS 15 H LYS 15 -6.502 5.295 -1.930 111 3HZ LYS 15 H LYS 15 -7.428 5.818 -0.672 112 H ILE 16 H ILE 16 -1.445 4.930 -0.583 113 HA ILE 16 HA ILE 16 -3.265 2.819 -1.091 114 HB ILE 16 HB ILE 16 -0.271 2.905 -0.569 115 1HG1 ILE 16 HG1 ILE 16 -1.852 2.237 -3.093 116 2HG1 ILE 16 HG1 ILE 16 -1.329 3.885 -2.685 117 1HG2 ILE 16 HG2 ILE 16 -0.263 0.532 -1.441 118 2HG2 ILE 16 HG2 ILE 16 -2.034 0.517 -1.286 119 3HG2 ILE 16 HG2 ILE 16 -1.011 0.693 0.159 120 1HD1 ILE 16 HD1 ILE 16 0.347 2.974 -4.144 121 2HD1 ILE 16 HD1 ILE 16 1.046 2.983 -2.508 122 3HD1 ILE 16 HD1 ILE 16 0.437 1.465 -3.211 123 H VAL 17 H VAL 17 -1.141 3.446 1.749 124 HA VAL 17 HA VAL 17 -1.836 1.190 3.277 125 HB VAL 17 HB VAL 17 -0.906 4.003 3.931 126 1HG1 VAL 17 HG1 VAL 17 -2.232 3.423 5.868 127 2HG1 VAL 17 HG1 VAL 17 -0.526 3.142 6.279 128 3HG1 VAL 17 HG1 VAL 17 -1.581 1.765 5.882 129 1HG2 VAL 17 HG2 VAL 17 0.410 1.307 4.437 130 2HG2 VAL 17 HG2 VAL 17 1.173 2.914 4.426 131 3HG2 VAL 17 HG2 VAL 17 0.597 2.195 2.904 132 H ASN 18 H ASN 18 -3.428 4.414 3.045 133 HA ASN 18 HA ASN 18 -5.323 3.929 5.129 134 1HB ASN 18 HB1 ASN 18 -4.721 6.169 4.240 135 2HB ASN 18 HB2 ASN 18 -5.512 5.761 2.703 136 1HD2 ASN 18 HD2 ASN 18 -7.193 7.245 2.745 137 2HD2 ASN 18 HD2 ASN 18 -8.453 7.244 3.958 138 H TYR 19 H TYR 19 -5.534 3.591 1.546 139 HA TYR 19 HA TYR 19 -8.250 2.756 1.483 140 1HB TYR 19 HB1 TYR 19 -7.735 3.158 -0.663 141 2HB TYR 19 HB2 TYR 19 -6.001 3.024 -0.345 142 HD1 TYR 19 HD1 TYR 19 -9.060 0.933 -0.932 143 HD2 TYR 19 HD2 TYR 19 -4.777 1.216 -1.195 144 HE1 TYR 19 HE1 TYR 19 -8.983 -1.231 -2.128 145 HE2 TYR 19 HE2 TYR 19 -4.705 -0.953 -2.383 146 HH TYR 19 HH TYR 19 -7.638 -2.732 -3.304 147 H MET 20 H MET 20 -5.191 0.808 1.498 148 HA MET 20 HA MET 20 -6.386 -1.738 1.395 149 1HB MET 20 HB2 MET 20 -3.802 -0.678 2.575 150 2HB MET 20 HB1 MET 20 -4.247 -2.388 2.737 151 1HG MET 20 HG2 MET 20 -4.120 -0.903 0.097 152 2HG MET 20 HG1 MET 20 -2.803 -1.886 0.744 153 1HE MET 20 HE1 MET 20 -4.118 -4.457 1.966 154 2HE MET 20 HE2 MET 20 -2.711 -4.392 0.878 155 3HE MET 20 HE3 MET 20 -4.054 -5.507 0.534 156 H LYS 21 H LYS 21 -5.587 0.334 4.221 157 HA LYS 21 HA LYS 21 -6.384 -1.484 6.223 158 1HB LYS 21 H LYS 21 -5.124 0.593 6.634 159 2HB LYS 21 H LYS 21 -6.536 1.552 6.173 160 1HG LYS 21 H LYS 21 -7.029 -0.517 8.268 161 2HG LYS 21 H LYS 21 -5.955 0.811 8.753 162 1HD LYS 21 H LYS 21 -8.742 1.164 7.557 163 2HD LYS 21 H LYS 21 -8.334 1.305 9.278 164 1HE LYS 21 H LYS 21 -7.879 3.479 8.908 165 2HE LYS 21 H LYS 21 -6.460 2.950 7.981 166 1HZ LYS 21 H LYS 21 -7.903 2.871 6.026 167 2HZ LYS 21 H LYS 21 -7.814 4.390 6.669 168 3HZ LYS 21 H LYS 21 -9.158 3.463 6.917 169 H THR 22 H THR 22 -8.297 0.926 4.338 170 HA THR 22 HA THR 22 -10.688 0.651 5.848 171 HB THR 22 HB THR 22 -10.272 1.395 2.916 172 HG1 THR 22 HG1 THR 22 -10.767 3.137 5.066 173 1HG2 THR 22 HG2 THR 22 -12.462 2.603 3.248 174 2HG2 THR 22 HG2 THR 22 -12.614 0.831 3.299 175 3HG2 THR 22 HG2 THR 22 -12.632 1.770 4.812 176 H ARG 23 H ARG 23 -9.717 -1.065 2.744 177 HA ARG 23 HA ARG 23 -12.148 -2.598 2.753 178 1HB ARG 23 H ARG 23 -10.981 -4.081 1.122 179 2HB ARG 23 H ARG 23 -10.980 -2.367 0.672 180 1HG ARG 23 H ARG 23 -8.691 -2.110 1.148 181 2HG ARG 23 H ARG 23 -8.643 -3.548 2.187 182 1HD ARG 23 H ARG 23 -7.596 -3.719 -0.182 183 2HD ARG 23 H ARG 23 -8.639 -5.035 0.375 184 HE ARG 23 H ARG 23 -9.291 -2.984 -1.683 185 1HH1 ARG 23 H ARG 23 -9.979 -6.118 -0.197 186 2HH1 ARG 23 H ARG 23 -11.508 -6.334 -1.020 187 1HH2 ARG 23 H ARG 23 -11.237 -3.336 -2.877 188 2HH2 ARG 23 H ARG 23 -12.144 -4.817 -2.639 189 H HIS 24 H HIS 24 -8.947 -3.080 4.252 190 HA HIS 24 HA HIS 24 -9.385 -5.787 5.093 191 1HB HIS 24 HB1 HIS 24 -7.184 -4.628 5.029 192 2HB HIS 24 HB2 HIS 24 -7.719 -3.564 6.339 193 HD1 HIS 24 HD1 HIS 24 -6.253 -6.927 5.654 194 HD2 HIS 24 HD2 HIS 24 -7.977 -4.915 8.895 195 HE1 HIS 24 HE1 HIS 24 -5.680 -8.225 7.765 196 H GLN 25 H GLN 25 -10.260 -2.594 6.375 197 HA GLN 25 HA GLN 25 -11.156 -3.482 8.952 198 1HB GLN 25 HB2 GLN 25 -10.473 -1.127 8.207 199 2HB GLN 25 HB1 GLN 25 -12.054 -1.015 7.408 200 1HG GLN 25 HG2 GLN 25 -13.134 -1.550 9.615 201 2HG GLN 25 HG1 GLN 25 -11.524 -1.480 10.358 202 1HE2 GLN 25 HE2 GLN 25 -13.780 0.220 11.024 203 2HE2 GLN 25 HE2 GLN 25 -13.318 1.864 10.641 204 H ARG 26 H ARG 26 -12.785 -2.908 5.781 205 HA ARG 26 HA ARG 26 -15.430 -3.270 6.802 206 1HB ARG 26 H ARG 26 -16.090 -2.792 4.688 207 2HB ARG 26 H ARG 26 -14.388 -2.347 4.455 208 1HG ARG 26 H ARG 26 -13.938 -4.672 3.630 209 2HG ARG 26 H ARG 26 -15.671 -5.039 3.787 210 1HD ARG 26 H ARG 26 -16.227 -3.290 2.180 211 2HD ARG 26 H ARG 26 -14.523 -2.784 2.090 212 HE ARG 26 H ARG 26 -14.679 -5.557 1.450 213 1HH1 ARG 26 H ARG 26 -15.762 -2.437 0.162 214 2HH1 ARG 26 H ARG 26 -15.607 -2.919 -1.510 215 1HH2 ARG 26 H ARG 26 -14.349 -6.144 -0.763 216 2HH2 ARG 26 H ARG 26 -14.939 -5.085 -2.032 217 H GLY 27 H GLY 27 -12.992 -5.587 5.524 218 1HA GLY 27 HA1 GLY 27 -13.711 -7.794 6.911 219 2HA GLY 27 HA2 GLY 27 -14.942 -7.789 5.633 220 H ASP 28 H ASP 28 -12.855 -6.479 3.747 221 HA ASP 28 HA ASP 28 -11.888 -8.998 2.656 222 1HB ASP 28 H ASP 28 -11.399 -6.105 1.852 223 2HB ASP 28 H ASP 28 -10.882 -7.525 0.926 224 H THR 29 H THR 29 -10.695 -9.368 4.851 225 HA THR 29 HA THR 29 -8.248 -7.867 5.244 226 HB THR 29 HB THR 29 -7.815 -9.579 6.991 227 HG1 THR 29 HG1 THR 29 -10.292 -10.703 6.193 228 1HG2 THR 29 HG2 THR 29 -10.690 -8.559 6.942 229 2HG2 THR 29 HG2 THR 29 -9.795 -9.091 8.383 230 3HG2 THR 29 HG2 THR 29 -9.269 -7.645 7.494 231 H HIS 30 H HIS 30 -9.128 -10.120 2.911 232 HA HIS 30 HA HIS 30 -6.861 -11.839 2.854 233 1HB HIS 30 HB2 HIS 30 -7.785 -12.653 0.889 234 2HB HIS 30 HB1 HIS 30 -9.206 -11.941 1.662 235 HD1 HIS 30 HD1 HIS 30 -8.948 -8.969 0.913 236 HD2 HIS 30 HD2 HIS 30 -8.143 -12.081 -1.770 237 HE1 HIS 30 HE1 HIS 30 -9.175 -8.043 -1.445 238 HA PRO 31 HA PRO 31 -3.744 -9.250 1.094 239 1HB PRO 31 HB1 PRO 31 -2.511 -11.140 -0.611 240 2HB PRO 31 HB2 PRO 31 -2.122 -10.861 1.105 241 1HG PRO 31 HG1 PRO 31 -3.560 -13.111 -0.141 242 2HG PRO 31 HG2 PRO 31 -2.884 -12.982 1.506 243 1HD PRO 31 HD2 PRO 31 -5.633 -12.801 0.733 244 2HD PRO 31 HD1 PRO 31 -4.938 -12.519 2.356 245 H LEU 32 H LEU 32 -2.945 -8.301 -0.962 246 HA LEU 32 HA LEU 32 -4.599 -8.900 -3.364 247 1HB LEU 32 HB2 LEU 32 -4.312 -6.253 -1.914 248 2HB LEU 32 HB1 LEU 32 -4.528 -6.286 -3.674 249 HG LEU 32 HG LEU 32 -6.430 -7.460 -1.591 250 1HD1 LEU 32 HD1 LEU 32 -6.440 -4.974 -1.870 251 2HD1 LEU 32 HD1 LEU 32 -7.955 -5.720 -2.427 252 3HD1 LEU 32 HD1 LEU 32 -6.736 -5.190 -3.614 253 1HD2 LEU 32 HD2 LEU 32 -7.890 -7.688 -3.752 254 2HD2 LEU 32 HD2 LEU 32 -6.342 -7.627 -4.617 255 3HD2 LEU 32 HD2 LEU 32 -6.655 -8.925 -3.447 256 H THR 33 H THR 33 -3.534 -8.388 -5.353 257 HA THR 33 HA THR 33 -0.618 -8.399 -5.167 258 HB THR 33 HB THR 33 -0.730 -8.455 -7.642 259 HG1 THR 33 HG1 THR 33 -3.544 -8.335 -7.282 260 1HG2 THR 33 HG2 THR 33 -2.737 -10.304 -6.277 261 2HG2 THR 33 HG2 THR 33 -1.978 -10.587 -7.859 262 3HG2 THR 33 HG2 THR 33 -0.981 -10.561 -6.388 263 H LEU 34 H LEU 34 0.653 -6.813 -6.577 264 HA LEU 34 HA LEU 34 0.285 -4.168 -5.651 265 1HB LEU 34 HB2 LEU 34 2.329 -5.521 -6.772 266 2HB LEU 34 HB1 LEU 34 1.745 -4.697 -8.227 267 HG LEU 34 HG LEU 34 3.444 -3.301 -7.263 268 1HD1 LEU 34 HD1 LEU 34 2.301 -1.245 -6.912 269 2HD1 LEU 34 HD1 LEU 34 0.858 -2.065 -6.280 270 3HD1 LEU 34 HD1 LEU 34 1.273 -2.197 -8.007 271 1HD2 LEU 34 HD2 LEU 34 3.486 -2.584 -4.951 272 2HD2 LEU 34 HD2 LEU 34 1.925 -3.366 -4.624 273 3HD2 LEU 34 HD2 LEU 34 3.355 -4.355 -4.981 274 H ASP 35 H ASP 35 -0.556 -5.732 -8.779 275 HA ASP 35 HA ASP 35 -1.502 -3.450 -10.132 276 1HB ASP 35 H ASP 35 -1.077 -5.705 -11.124 277 2HB ASP 35 H ASP 35 -2.533 -6.313 -10.308 278 H GLU 36 H GLU 36 -3.366 -5.886 -8.213 279 HA GLU 36 HA GLU 36 -5.889 -4.660 -8.364 280 1HB GLU 36 H GLU 36 -4.555 -6.367 -6.239 281 2HB GLU 36 H GLU 36 -6.259 -5.867 -6.137 282 1HG GLU 36 H GLU 36 -6.791 -6.979 -8.221 283 2HG GLU 36 H GLU 36 -5.077 -7.300 -8.555 284 H ILE 37 H ILE 37 -3.204 -4.107 -6.046 285 HA ILE 37 HA ILE 37 -4.595 -2.332 -4.340 286 HB ILE 37 HB ILE 37 -1.694 -2.843 -5.014 287 1HG1 ILE 37 HG1 ILE 37 -3.072 -2.863 -2.321 288 2HG1 ILE 37 HG1 ILE 37 -3.275 -4.220 -3.447 289 1HG2 ILE 37 HG2 ILE 37 -1.178 -1.208 -3.087 290 2HG2 ILE 37 HG2 ILE 37 -1.590 -0.479 -4.651 291 3HG2 ILE 37 HG2 ILE 37 -2.804 -0.547 -3.356 292 1HD1 ILE 37 HD1 ILE 37 -1.430 -4.693 -1.915 293 2HD1 ILE 37 HD1 ILE 37 -0.791 -4.464 -3.558 294 3HD1 ILE 37 HD1 ILE 37 -0.631 -3.166 -2.352 295 H LEU 38 H LEU 38 -2.267 -1.463 -6.998 296 HA LEU 38 HA LEU 38 -2.716 1.307 -6.846 297 1HB LEU 38 HB2 LEU 38 -2.038 -0.375 -9.287 298 2HB LEU 38 HB1 LEU 38 -1.887 1.384 -9.166 299 HG LEU 38 HG LEU 38 -0.418 -0.582 -7.397 300 1HD1 LEU 38 HD1 LEU 38 1.568 0.213 -8.739 301 2HD1 LEU 38 HD1 LEU 38 0.393 -0.736 -9.681 302 3HD1 LEU 38 HD1 LEU 38 0.427 1.037 -9.828 303 1HD2 LEU 38 HD2 LEU 38 -0.665 1.508 -6.217 304 2HD2 LEU 38 HD2 LEU 38 -0.344 2.447 -7.694 305 3HD2 LEU 38 HD2 LEU 38 0.967 1.526 -6.924 306 H ASP 39 H ASP 39 -4.488 -1.173 -8.770 307 HA ASP 39 HA ASP 39 -6.040 0.531 -10.352 308 1HB ASP 39 H ASP 39 -5.998 -1.915 -10.587 309 2HB ASP 39 H ASP 39 -6.832 -2.095 -9.030 310 H GLU 40 H GLU 40 -6.901 -0.804 -7.098 311 HA GLU 40 HA GLU 40 -9.298 0.727 -6.861 312 1HB GLU 40 H GLU 40 -7.486 -0.692 -4.890 313 2HB GLU 40 H GLU 40 -8.942 0.185 -4.368 314 1HG GLU 40 H GLU 40 -10.205 -1.179 -6.162 315 2HG GLU 40 H GLU 40 -8.756 -2.205 -6.240 316 H THR 41 H THR 41 -5.879 1.456 -6.118 317 HA THR 41 HA THR 41 -6.607 3.969 -4.777 318 HB THR 41 HB THR 41 -3.798 3.409 -5.550 319 HG1 THR 41 HG1 THR 41 -4.382 1.388 -4.899 320 1HG2 THR 41 HG2 THR 41 -4.663 5.347 -4.120 321 2HG2 THR 41 HG2 THR 41 -5.103 4.132 -2.897 322 3HG2 THR 41 HG2 THR 41 -3.401 4.351 -3.357 323 H GLN 42 H GLN 42 -7.055 3.166 -7.814 324 HA GLN 42 HA GLN 42 -7.494 4.423 -9.653 325 1HB GLN 42 HB1 GLN 42 -6.298 6.838 -8.241 326 2HB GLN 42 HB2 GLN 42 -7.421 6.821 -9.613 327 1HG GLN 42 HG2 GLN 42 -9.097 5.637 -8.128 328 2HG GLN 42 HG1 GLN 42 -7.996 5.914 -6.762 329 1HE2 GLN 42 HE2 GLN 42 -7.183 8.316 -6.635 330 2HE2 GLN 42 HE2 GLN 42 -8.437 9.526 -6.798 331 H HIS 43 H HIS 43 -4.339 5.596 -8.325 332 HA HIS 43 HA HIS 43 -3.227 5.998 -10.948 333 1HB HIS 43 HB1 HIS 43 -1.048 6.052 -9.434 334 2HB HIS 43 HB2 HIS 43 -2.222 7.372 -9.438 335 HD1 HIS 43 HD1 HIS 43 -2.581 8.222 -7.129 336 HD2 HIS 43 HD2 HIS 43 -2.114 4.064 -7.180 337 HE1 HIS 43 HE1 HIS 43 -2.838 7.371 -4.744 338 H LEU 44 H LEU 44 -3.766 3.876 -11.897 339 HA LEU 44 HA LEU 44 -2.152 1.587 -11.100 340 1HB LEU 44 HB1 LEU 44 -4.481 1.901 -12.527 341 2HB LEU 44 HB2 LEU 44 -3.294 1.609 -13.820 342 HG LEU 44 HG LEU 44 -3.568 -0.135 -11.317 343 1HD1 LEU 44 HD1 LEU 44 -5.615 -0.216 -12.738 344 2HD1 LEU 44 HD1 LEU 44 -4.714 -1.750 -12.791 345 3HD1 LEU 44 HD1 LEU 44 -4.608 -0.607 -14.152 346 1HD2 LEU 44 HD2 LEU 44 -1.377 -0.378 -12.253 347 2HD2 LEU 44 HD2 LEU 44 -2.314 -1.756 -12.867 348 3HD2 LEU 44 HD2 LEU 44 -2.000 -0.356 -13.919 349 H ASP 45 H ASP 45 -1.991 4.249 -13.444 350 HA ASP 45 HA ASP 45 0.316 3.262 -14.857 351 1HB ASP 45 H ASP 45 -1.121 4.958 -15.848 352 2HB ASP 45 H ASP 45 -0.844 6.054 -14.477 353 H ILE 46 H ILE 46 -0.166 5.771 -12.339 354 HA ILE 46 HA ILE 46 1.178 6.770 -10.834 355 HB ILE 46 HB ILE 46 0.862 5.011 -9.416 356 1HG1 ILE 46 HG1 ILE 46 3.876 4.954 -9.797 357 2HG1 ILE 46 HG1 ILE 46 2.979 6.177 -8.870 358 1HG2 ILE 46 HG2 ILE 46 2.624 3.228 -11.129 359 2HG2 ILE 46 HG2 ILE 46 0.844 3.212 -11.091 360 3HG2 ILE 46 HG2 ILE 46 1.768 2.758 -9.654 361 1HD1 ILE 46 HD1 ILE 46 1.991 4.108 -7.592 362 2HD1 ILE 46 HD1 ILE 46 3.387 3.238 -8.275 363 3HD1 ILE 46 HD1 ILE 46 3.643 4.640 -7.215 364 H GLY 47 H GLY 47 3.581 4.420 -12.176 365 1HA GLY 47 HA1 GLY 47 5.206 5.714 -13.763 366 2HA GLY 47 HA2 GLY 47 5.554 6.629 -12.273 367 H LEU 48 H LEU 48 6.812 4.245 -14.097 368 HA LEU 48 HA LEU 48 7.142 1.958 -12.601 369 1HB LEU 48 HB1 LEU 48 8.002 2.251 -14.880 370 2HB LEU 48 HB2 LEU 48 9.207 3.423 -14.301 371 HG LEU 48 HG LEU 48 10.247 1.642 -12.891 372 1HD1 LEU 48 HD1 LEU 48 9.537 -0.752 -13.417 373 2HD1 LEU 48 HD1 LEU 48 8.082 -0.072 -14.184 374 3HD1 LEU 48 HD1 LEU 48 8.375 0.179 -12.447 375 1HD2 LEU 48 HD2 LEU 48 9.888 0.859 -15.816 376 2HD2 LEU 48 HD2 LEU 48 11.220 0.349 -14.751 377 3HD2 LEU 48 HD2 LEU 48 11.048 2.062 -15.202 378 H LYS 49 H LYS 49 9.039 5.003 -12.267 379 HA LYS 49 HA LYS 49 10.945 4.128 -10.422 380 1HB LYS 49 H LYS 49 10.738 6.609 -9.578 381 2HB LYS 49 H LYS 49 11.320 6.277 -11.224 382 1HG LYS 49 H LYS 49 9.324 6.991 -12.224 383 2HG LYS 49 H LYS 49 8.360 6.675 -10.768 384 1HD LYS 49 H LYS 49 8.610 9.090 -11.102 385 2HD LYS 49 H LYS 49 9.456 8.586 -9.622 386 1HE LYS 49 H LYS 49 11.024 8.609 -12.194 387 2HE LYS 49 H LYS 49 10.605 10.177 -11.475 388 1HZ LYS 49 H LYS 49 12.062 8.001 -10.143 389 2HZ LYS 49 H LYS 49 11.618 9.421 -9.427 390 3HZ LYS 49 H LYS 49 12.698 9.424 -10.677 391 H GLN 50 H GLN 50 7.543 5.128 -9.811 392 HA GLN 50 HA GLN 50 7.935 4.850 -6.907 393 1HB GLN 50 HB2 GLN 50 5.453 5.494 -8.540 394 2HB GLN 50 HB1 GLN 50 5.606 5.606 -6.774 395 1HG GLN 50 HG1 GLN 50 7.542 7.223 -7.168 396 2HG GLN 50 HG2 GLN 50 7.072 7.240 -8.882 397 1HE2 GLN 50 HE2 GLN 50 4.704 7.772 -9.327 398 2HE2 GLN 50 HE2 GLN 50 3.967 9.006 -8.328 399 H LYS 51 H LYS 51 6.011 3.287 -9.531 400 HA LYS 51 HA LYS 51 4.684 1.312 -8.123 401 1HB LYS 51 H LYS 51 4.467 1.793 -10.546 402 2HB LYS 51 H LYS 51 6.070 1.085 -10.827 403 1HG LYS 51 H LYS 51 5.316 -1.104 -10.118 404 2HG LYS 51 H LYS 51 3.759 -0.448 -9.559 405 1HD LYS 51 H LYS 51 4.623 -0.063 -12.438 406 2HD LYS 51 H LYS 51 3.907 -1.609 -11.928 407 1HE LYS 51 H LYS 51 1.830 -0.683 -11.519 408 2HE LYS 51 H LYS 51 2.499 0.898 -11.077 409 1HZ LYS 51 H LYS 51 2.934 1.304 -13.382 410 2HZ LYS 51 H LYS 51 2.335 -0.174 -13.804 411 3HZ LYS 51 H LYS 51 1.332 0.968 -13.153 412 H GLN 52 H GLN 52 8.039 1.157 -9.431 413 HA GLN 52 HA GLN 52 8.585 -1.477 -8.455 414 1HB GLN 52 HB2 GLN 52 9.849 -0.302 -10.263 415 2HB GLN 52 HB1 GLN 52 10.520 0.805 -9.042 416 1HG GLN 52 HG1 GLN 52 11.542 -1.101 -7.853 417 2HG GLN 52 HG2 GLN 52 10.833 -2.231 -9.027 418 1HE2 GLN 52 HE2 GLN 52 13.516 -2.386 -8.707 419 2HE2 GLN 52 HE2 GLN 52 14.356 -1.682 -10.071 420 H TRP 53 H TRP 53 9.304 1.806 -7.144 421 HA TRP 53 HA TRP 53 10.724 1.020 -4.846 422 1HB TRP 53 HB1 TRP 53 10.724 3.294 -5.440 423 2HB TRP 53 HB2 TRP 53 8.964 3.363 -5.547 424 HD1 TRP 53 HD1 TRP 53 11.686 3.004 -2.844 425 HE1 TRP 53 HE1 TRP 53 10.911 4.174 -0.686 426 HE3 TRP 53 HE3 TRP 53 6.922 4.240 -4.260 427 HZ2 TRP 53 HZ2 TRP 53 8.566 5.497 0.259 428 HZ3 TRP 53 HZ3 TRP 53 5.428 5.414 -2.671 429 HH2 TRP 53 HH2 TRP 53 6.252 6.061 -0.420 430 H LEU 54 H LEU 54 7.177 1.288 -5.392 431 HA LEU 54 HA LEU 54 6.374 0.858 -2.724 432 1HB LEU 54 HB2 LEU 54 5.075 0.166 -5.379 433 2HB LEU 54 HB1 LEU 54 4.270 -0.103 -3.823 434 HG LEU 54 HG LEU 54 5.350 2.607 -4.710 435 1HD1 LEU 54 HD1 LEU 54 2.994 3.170 -5.207 436 2HD1 LEU 54 HD1 LEU 54 2.514 1.500 -4.827 437 3HD1 LEU 54 HD1 LEU 54 3.557 1.829 -6.229 438 1HD2 LEU 54 HD2 LEU 54 3.655 1.609 -2.400 439 2HD2 LEU 54 HD2 LEU 54 3.594 3.306 -2.931 440 3HD2 LEU 54 HD2 LEU 54 5.121 2.615 -2.351 441 H MET 55 H MET 55 6.998 -1.436 -5.392 442 HA MET 55 HA MET 55 6.276 -3.761 -3.940 443 1HB MET 55 HB2 MET 55 8.065 -3.315 -6.364 444 2HB MET 55 HB1 MET 55 7.584 -4.922 -5.777 445 1HG MET 55 HG1 MET 55 5.288 -4.515 -6.213 446 2HG MET 55 HG2 MET 55 5.540 -2.773 -6.383 447 1HE MET 55 HE1 MET 55 6.796 -5.970 -9.485 448 2HE MET 55 HE2 MET 55 7.680 -5.731 -7.961 449 3HE MET 55 HE3 MET 55 5.995 -6.302 -7.931 450 H THR 56 H THR 56 9.526 -2.258 -4.533 451 HA THR 56 HA THR 56 10.669 -4.317 -2.693 452 HB THR 56 HB THR 56 12.779 -3.928 -3.876 453 HG1 THR 56 HG1 THR 56 12.467 -1.739 -4.373 454 1HG2 THR 56 HG2 THR 56 12.162 -4.870 -6.022 455 2HG2 THR 56 HG2 THR 56 10.510 -4.225 -5.892 456 3HG2 THR 56 HG2 THR 56 11.048 -5.526 -4.802 457 H GLU 57 H GLU 57 9.388 -1.818 -1.642 458 HA GLU 57 HA GLU 57 11.532 -1.118 0.137 459 1HB GLU 57 H GLU 57 11.910 0.255 -2.102 460 2HB GLU 57 H GLU 57 10.651 1.292 -1.422 461 1HG GLU 57 H GLU 57 12.925 0.455 0.368 462 2HG GLU 57 H GLU 57 13.233 1.687 -0.869 463 H ALA 58 H ALA 58 8.810 0.832 -1.149 464 HA ALA 58 HA ALA 58 7.971 1.831 1.300 465 1HB ALA 58 HB1 ALA 58 7.292 2.255 -1.257 466 2HB ALA 58 HB2 ALA 58 6.265 2.765 0.095 467 3HB ALA 58 HB3 ALA 58 5.896 1.263 -0.771 468 H LEU 59 H LEU 59 6.531 -1.001 -0.447 469 HA LEU 59 HA LEU 59 4.731 -1.514 1.788 470 1HB LEU 59 HB2 LEU 59 5.331 -3.194 -0.677 471 2HB LEU 59 HB1 LEU 59 3.939 -3.367 0.412 472 HG LEU 59 HG LEU 59 4.535 -0.851 -1.217 473 1HD1 LEU 59 HD1 LEU 59 2.692 -1.597 -2.669 474 2HD1 LEU 59 HD1 LEU 59 3.998 -2.806 -2.652 475 3HD1 LEU 59 HD1 LEU 59 2.517 -3.082 -1.704 476 1HD2 LEU 59 HD2 LEU 59 2.136 -1.756 0.427 477 2HD2 LEU 59 HD2 LEU 59 3.211 -0.382 0.779 478 3HD2 LEU 59 HD2 LEU 59 2.147 -0.335 -0.643 479 H VAL 60 H VAL 60 7.976 -2.483 0.910 480 HA VAL 60 HA VAL 60 7.953 -5.035 2.257 481 HB VAL 60 HB VAL 60 10.266 -3.174 1.538 482 1HG1 VAL 60 HG1 VAL 60 10.931 -4.812 3.239 483 2HG1 VAL 60 HG1 VAL 60 10.168 -6.124 2.311 484 3HG1 VAL 60 HG1 VAL 60 11.603 -5.292 1.664 485 1HG2 VAL 60 HG2 VAL 60 8.980 -3.829 -0.436 486 2HG2 VAL 60 HG2 VAL 60 8.985 -5.529 0.087 487 3HG2 VAL 60 HG2 VAL 60 10.504 -4.742 -0.400 488 H ASN 61 H ASN 61 9.746 -2.025 3.156 489 HA ASN 61 HA ASN 61 9.617 -2.850 5.989 490 1HB ASN 61 HB2 ASN 61 11.024 -0.676 6.218 491 2HB ASN 61 HB1 ASN 61 11.754 -2.078 5.412 492 1HD2 ASN 61 HD2 ASN 61 9.914 0.945 4.703 493 2HD2 ASN 61 HD2 ASN 61 10.690 1.251 3.152 494 H ASN 62 H ASN 62 7.115 -2.581 5.483 495 HA ASN 62 HA ASN 62 6.310 0.238 6.000 496 1HB ASN 62 HB2 ASN 62 5.432 -1.198 4.022 497 2HB ASN 62 HB1 ASN 62 4.476 -2.020 5.259 498 1HD2 ASN 62 HD2 ASN 62 4.795 0.788 3.272 499 2HD2 ASN 62 HD2 ASN 62 3.394 1.654 3.876 500 HA PRO 63 HA PRO 63 5.605 -1.219 10.163 501 1HB PRO 63 HB1 PRO 63 4.138 1.132 10.889 502 2HB PRO 63 HB2 PRO 63 5.857 0.775 11.214 503 1HG PRO 63 HG1 PRO 63 4.705 2.636 9.268 504 2HG PRO 63 HG2 PRO 63 6.415 2.424 9.740 505 1HD PRO 63 HD1 PRO 63 5.150 1.578 7.306 506 2HD PRO 63 HD2 PRO 63 6.831 1.258 7.834 507 H LYS 64 H LYS 64 3.149 -0.257 7.809 508 HA LYS 64 HA LYS 64 1.106 -1.695 9.448 509 1HB LYS 64 H LYS 64 0.687 0.747 7.689 510 2HB LYS 64 H LYS 64 -0.577 -0.137 8.577 511 1HG LYS 64 H LYS 64 0.998 0.288 10.663 512 2HG LYS 64 H LYS 64 1.657 1.596 9.655 513 1HD LYS 64 H LYS 64 -1.286 1.211 10.381 514 2HD LYS 64 H LYS 64 -0.183 2.399 11.119 515 1HE LYS 64 H LYS 64 0.211 3.297 8.750 516 2HE LYS 64 H LYS 64 -1.158 2.283 8.244 517 1HZ LYS 64 H LYS 64 -1.244 4.395 10.282 518 2HZ LYS 64 H LYS 64 -2.514 3.442 9.839 519 3HZ LYS 64 H LYS 64 -1.856 4.495 8.753 520 H ILE 65 H ILE 65 2.986 -2.480 7.031 521 HA ILE 65 HA ILE 65 0.802 -3.955 5.693 522 HB ILE 65 HB ILE 65 2.799 -2.268 4.126 523 1HG1 ILE 65 HG1 ILE 65 -0.239 -2.204 4.367 524 2HG1 ILE 65 HG1 ILE 65 0.894 -0.955 4.921 525 1HG2 ILE 65 HG2 ILE 65 0.669 -4.185 3.095 526 2HG2 ILE 65 HG2 ILE 65 1.847 -3.271 2.128 527 3HG2 ILE 65 HG2 ILE 65 2.400 -4.579 3.182 528 1HD1 ILE 65 HD1 ILE 65 1.662 -0.705 2.524 529 2HD1 ILE 65 HD1 ILE 65 0.330 -1.787 2.049 530 3HD1 ILE 65 HD1 ILE 65 -0.025 -0.226 2.812 531 H GLU 66 H GLU 66 1.325 -6.022 5.448 532 HA GLU 66 HA GLU 66 4.186 -6.797 5.765 533 1HB GLU 66 H GLU 66 2.556 -7.502 7.564 534 2HB GLU 66 H GLU 66 1.659 -8.416 6.333 535 1HG GLU 66 H GLU 66 3.261 -9.829 7.648 536 2HG GLU 66 H GLU 66 3.593 -9.841 5.907 537 H VAL 67 H VAL 67 4.947 -8.582 4.456 538 HA VAL 67 HA VAL 67 3.503 -8.759 1.843 539 HB VAL 67 HB VAL 67 6.406 -9.463 2.420 540 1HG1 VAL 67 HG1 VAL 67 6.613 -9.016 -0.028 541 2HG1 VAL 67 HG1 VAL 67 4.863 -8.698 -0.103 542 3HG1 VAL 67 HG1 VAL 67 5.456 -10.323 0.312 543 1HG2 VAL 67 HG2 VAL 67 5.119 -6.789 1.771 544 2HG2 VAL 67 HG2 VAL 67 6.819 -7.135 1.383 545 3HG2 VAL 67 HG2 VAL 67 6.266 -7.172 3.073 546 H ILE 68 H ILE 68 3.073 -10.794 0.914 547 HA ILE 68 HA ILE 68 3.650 -13.147 2.668 548 HB ILE 68 HB ILE 68 1.071 -12.796 1.091 549 1HG1 ILE 68 HG1 ILE 68 1.695 -11.991 3.970 550 2HG1 ILE 68 HG1 ILE 68 1.122 -10.934 2.660 551 1HG2 ILE 68 HG2 ILE 68 1.619 -14.441 3.594 552 2HG2 ILE 68 HG2 ILE 68 0.302 -14.634 2.412 553 3HG2 ILE 68 HG2 ILE 68 1.964 -15.082 1.975 554 1HD1 ILE 68 HD1 ILE 68 -0.794 -11.441 4.013 555 2HD1 ILE 68 HD1 ILE 68 -0.406 -13.176 4.037 556 3HD1 ILE 68 HD1 ILE 68 -0.953 -12.407 2.529 557 H ASP 69 H ASP 69 1.825 -14.241 0.126 558 HA ASP 69 HA ASP 69 4.169 -15.282 -1.251 559 1HB ASP 69 H ASP 69 2.203 -16.688 -0.858 560 2HB ASP 69 H ASP 69 1.170 -15.547 -1.741 561 H GLY 70 H GLY 70 4.778 -12.844 -1.682 562 1HA GLY 70 HA2 GLY 70 5.321 -11.470 -3.482 563 2HA GLY 70 HA1 GLY 70 4.164 -12.352 -4.504 564 H LYS 71 H LYS 71 1.850 -12.044 -2.728 565 HA LYS 71 HA LYS 71 1.055 -9.396 -3.551 566 1HB LYS 71 H LYS 71 -0.813 -10.456 -1.690 567 2HB LYS 71 H LYS 71 -0.998 -10.309 -3.435 568 1HG LYS 71 H LYS 71 0.382 -12.693 -2.123 569 2HG LYS 71 H LYS 71 -1.365 -12.623 -2.398 570 1HD LYS 71 H LYS 71 -0.952 -12.204 -4.832 571 2HD LYS 71 H LYS 71 0.786 -12.440 -4.549 572 1HE LYS 71 H LYS 71 -0.333 -14.659 -3.307 573 2HE LYS 71 H LYS 71 -1.406 -14.432 -4.702 574 1HZ LYS 71 H LYS 71 0.597 -15.854 -5.028 575 2HZ LYS 71 H LYS 71 1.516 -14.483 -4.935 576 3HZ LYS 71 H LYS 71 0.394 -14.642 -6.140 577 H TYR 72 H TYR 72 -0.160 -8.003 -1.843 578 HA TYR 72 HA TYR 72 1.529 -7.854 0.623 579 1HB TYR 72 HB2 TYR 72 0.446 -5.598 -1.101 580 2HB TYR 72 HB1 TYR 72 1.336 -5.400 0.417 581 HD1 TYR 72 HD1 TYR 72 3.733 -5.677 0.513 582 HD2 TYR 72 HD2 TYR 72 1.597 -6.479 -3.139 583 HE1 TYR 72 HE1 TYR 72 5.885 -5.770 -0.725 584 HE2 TYR 72 HE2 TYR 72 3.750 -6.583 -4.373 585 HH TYR 72 HH TYR 72 6.885 -5.899 -2.804 586 H ALA 73 H ALA 73 0.478 -7.187 2.524 587 HA ALA 73 HA ALA 73 -2.487 -6.941 2.402 588 1HB ALA 73 HB1 ALA 73 -2.661 -8.597 4.242 589 2HB ALA 73 HB2 ALA 73 -1.964 -9.325 2.777 590 3HB ALA 73 HB3 ALA 73 -0.906 -8.888 4.138 591 H PHE 74 H PHE 74 -3.280 -5.485 3.871 592 HA PHE 74 HA PHE 74 -1.448 -3.777 5.257 593 1HB PHE 74 HB2 PHE 74 -3.404 -2.725 4.632 594 2HB PHE 74 HB1 PHE 74 -4.424 -4.102 5.072 595 HD1 PHE 74 HD1 PHE 74 -5.192 -4.416 7.348 596 HD2 PHE 74 HD2 PHE 74 -2.686 -1.082 6.325 597 HE1 PHE 74 HE1 PHE 74 -5.825 -3.308 9.471 598 HE2 PHE 74 HE2 PHE 74 -3.304 0.029 8.463 599 HZ PHE 74 HZ PHE 74 -4.896 -1.077 10.023 600 H LYS 75 H LYS 75 -0.607 -3.901 7.247 601 HA LYS 75 HA LYS 75 -1.051 -6.286 8.828 602 1HB LYS 75 H LYS 75 1.076 -4.653 8.412 603 2HB LYS 75 H LYS 75 0.465 -3.950 9.925 604 1HG LYS 75 H LYS 75 0.728 -6.005 11.108 605 2HG LYS 75 H LYS 75 0.868 -6.947 9.601 606 1HD LYS 75 H LYS 75 3.005 -5.744 9.086 607 2HD LYS 75 H LYS 75 2.888 -4.914 10.657 608 1HE LYS 75 H LYS 75 3.116 -6.969 11.868 609 2HE LYS 75 H LYS 75 2.837 -7.947 10.411 610 1HZ LYS 75 H LYS 75 5.144 -6.168 10.747 611 2HZ LYS 75 H LYS 75 5.166 -7.776 11.111 612 3HZ LYS 75 H LYS 75 4.904 -7.290 9.555 613 HA PRO 76 HA PRO 76 -4.562 -4.695 10.995 614 1HB PRO 76 HB1 PRO 76 -3.849 -6.228 13.385 615 2HB PRO 76 HB2 PRO 76 -5.216 -6.453 12.261 616 1HG PRO 76 HG1 PRO 76 -2.843 -8.049 12.454 617 2HG PRO 76 HG2 PRO 76 -4.132 -8.171 11.224 618 1HD PRO 76 HD1 PRO 76 -1.429 -7.158 10.907 619 2HD PRO 76 HD2 PRO 76 -2.702 -7.346 9.665 620 H LYS 77 H LYS 77 -5.151 -3.383 12.804 621 HA LYS 77 HA LYS 77 -4.888 -1.737 14.352 622 1HB LYS 77 H LYS 77 -2.016 -2.618 14.800 623 2HB LYS 77 H LYS 77 -3.091 -1.738 15.906 624 1HG LYS 77 H LYS 77 -4.634 -3.863 15.679 625 2HG LYS 77 H LYS 77 -3.141 -4.665 15.141 626 1HD LYS 77 H LYS 77 -3.662 -3.264 17.799 627 2HD LYS 77 H LYS 77 -3.287 -4.981 17.531 628 1HE LYS 77 H LYS 77 -1.421 -2.606 17.085 629 2HE LYS 77 H LYS 77 -1.290 -3.839 18.353 630 1HZ LYS 77 H LYS 77 0.194 -4.285 16.553 631 2HZ LYS 77 H LYS 77 -1.044 -4.319 15.464 632 3HZ LYS 77 H LYS 77 -0.947 -5.473 16.638 633 H TYR 78 H TYR 78 -2.986 0.089 14.933 634 HA TYR 78 HA TYR 78 -1.558 1.005 12.588 635 1HB TYR 78 HB1 TYR 78 -3.110 3.176 12.626 636 2HB TYR 78 HB2 TYR 78 -3.514 1.770 11.633 637 HD1 TYR 78 HD1 TYR 78 -4.010 2.739 15.257 638 HD2 TYR 78 HD2 TYR 78 -5.772 1.237 11.621 639 HE1 TYR 78 HE1 TYR 78 -6.186 2.490 16.414 640 HE2 TYR 78 HE2 TYR 78 -7.954 1.002 12.783 641 HH TYR 78 HH TYR 78 -9.104 1.252 14.747 642 H ASN 79 H ASN 79 -1.067 0.426 15.427 643 HA ASN 79 HA ASN 79 0.206 2.973 16.130 644 1HB ASN 79 HB2 ASN 79 -2.029 3.204 17.147 645 2HB ASN 79 HB1 ASN 79 -1.842 1.628 17.946 646 1HD2 ASN 79 HD2 ASN 79 -2.221 2.862 19.962 647 2HD2 ASN 79 HD2 ASN 79 -0.877 3.696 20.712 648 H VAL 80 H VAL 80 2.220 2.066 16.062 649 HA VAL 80 HA VAL 80 2.831 0.063 18.139 650 HB VAL 80 HB VAL 80 2.353 -1.062 15.887 651 1HG1 VAL 80 HG1 VAL 80 3.464 0.750 14.520 652 2HG1 VAL 80 HG1 VAL 80 5.035 0.175 15.131 653 3HG1 VAL 80 HG1 VAL 80 4.020 -0.896 14.137 654 1HG2 VAL 80 HG2 VAL 80 3.715 -2.087 17.717 655 2HG2 VAL 80 HG2 VAL 80 4.266 -2.582 16.099 656 3HG2 VAL 80 HG2 VAL 80 5.174 -1.354 17.010 657 H ARG 81 H ARG 81 5.035 0.151 18.830 658 HA ARG 81 HA ARG 81 6.870 2.038 17.590 659 1HB ARG 81 H ARG 81 5.428 3.581 18.876 660 2HB ARG 81 H ARG 81 5.668 2.604 20.340 661 1HG ARG 81 H ARG 81 7.143 4.600 20.324 662 2HG ARG 81 H ARG 81 8.092 3.097 20.294 663 1HD ARG 81 H ARG 81 8.564 3.328 17.956 664 2HD ARG 81 H ARG 81 7.330 4.597 17.758 665 HE ARG 81 H ARG 81 9.189 5.533 19.661 666 1HH1 ARG 81 H ARG 81 9.119 4.589 16.249 667 2HH1 ARG 81 H ARG 81 10.392 5.688 15.777 668 1HH2 ARG 81 H ARG 81 10.870 6.987 19.031 669 2HH2 ARG 81 H ARG 81 11.393 7.055 17.364
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