NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586564 | 2mj4 | 19704 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 -5.465 -15.332 2.788 2 H2 LEU 1 H2 LEU 1 -6.313 -16.152 1.625 3 H3 LEU 1 H3 LEU 1 -7.063 -14.984 2.528 4 HA LEU 1 HA LEU 1 -5.484 -14.782 0.208 5 HB2 LEU 1 HB2 LEU 1 -7.731 -14.047 0.174 6 HB3 LEU 1 HB3 LEU 1 -7.525 -13.075 1.617 7 HG LEU 1 HG LEU 1 -5.792 -11.746 0.171 8 HD11 LEU 1 HD11 LEU 1 -5.649 -13.173 -1.736 9 HD12 LEU 1 HD12 LEU 1 -7.416 -13.165 -1.952 10 HD13 LEU 1 HD13 LEU 1 -6.478 -11.680 -2.240 11 HD21 LEU 1 HD21 LEU 1 -8.788 -11.595 0.116 12 HD22 LEU 1 HD22 LEU 1 -7.605 -10.532 0.915 13 HD23 LEU 1 HD23 LEU 1 -7.821 -10.455 -0.850 14 H GLU 2 H GLU 2 -3.678 -13.531 -0.173 15 HA GLU 2 HA GLU 2 -2.570 -12.300 2.226 16 HB2 GLU 2 HB2 GLU 2 -0.980 -13.114 -0.231 17 HB3 GLU 2 HB3 GLU 2 -0.377 -12.776 1.379 18 HG2 GLU 2 HG2 GLU 2 -1.503 -14.789 2.269 19 HG3 GLU 2 HG3 GLU 2 -2.246 -15.099 0.713 20 H CYS 3 H CYS 3 -1.608 -10.186 2.075 21 HA CYS 3 HA CYS 3 -2.046 -8.822 -0.465 22 HB2 CYS 3 HB2 CYS 3 -2.854 -7.567 2.156 23 HB3 CYS 3 HB3 CYS 3 -3.123 -6.956 0.536 24 H HIS 4 H HIS 4 -0.379 -7.337 -0.926 25 HA HIS 4 HA HIS 4 2.000 -7.626 0.498 26 HB2 HIS 4 HB2 HIS 4 1.024 -5.863 -1.719 27 HB3 HIS 4 HB3 HIS 4 2.542 -5.466 -0.939 28 HD1 HIS 4 HD1 HIS 4 4.554 -7.101 -1.288 29 HD2 HIS 4 HD2 HIS 4 1.047 -8.210 -3.305 30 HE1 HIS 4 HE1 HIS 4 5.229 -8.915 -2.951 31 HE2 HIS 4 HE2 HIS 4 3.024 -9.595 -4.122 32 H ASN 5 H ASN 5 3.037 -6.359 2.052 33 HA ASN 5 HA ASN 5 1.375 -4.208 3.108 34 HB2 ASN 5 HB2 ASN 5 2.017 -4.819 5.335 35 HB3 ASN 5 HB3 ASN 5 1.692 -6.351 4.551 36 HD21 ASN 5 HD21 ASN 5 3.109 -7.859 4.925 37 HD22 ASN 5 HD22 ASN 5 4.806 -7.666 5.217 38 H GLN 6 H GLN 6 3.909 -4.668 1.172 39 HA GLN 6 HA GLN 6 6.040 -3.436 2.503 40 HB2 GLN 6 HB2 GLN 6 6.821 -3.073 0.024 41 HB3 GLN 6 HB3 GLN 6 6.694 -4.706 0.648 42 HG2 GLN 6 HG2 GLN 6 4.795 -5.201 -0.611 43 HG3 GLN 6 HG3 GLN 6 4.223 -3.544 -0.608 44 HE21 GLN 6 HE21 GLN 6 5.260 -5.866 -2.552 45 HE22 GLN 6 HE22 GLN 6 6.052 -4.980 -3.812 46 H GLN 7 H GLN 7 6.786 -1.266 2.473 47 HA GLN 7 HA GLN 7 4.736 0.609 1.603 48 HB2 GLN 7 HB2 GLN 7 6.983 1.382 3.462 49 HB3 GLN 7 HB3 GLN 7 5.359 2.034 3.363 50 HG2 GLN 7 HG2 GLN 7 6.037 -0.779 4.348 51 HG3 GLN 7 HG3 GLN 7 5.728 0.591 5.396 52 HE21 GLN 7 HE21 GLN 7 3.962 -0.360 6.346 53 HE22 GLN 7 HE22 GLN 7 2.432 -0.553 5.558 54 H SER 8 H SER 8 5.542 2.752 0.733 55 HA SER 8 HA SER 8 6.510 3.630 -1.050 56 HB2 SER 8 HB2 SER 8 9.091 3.154 0.484 57 HB3 SER 8 HB3 SER 8 8.689 4.519 -0.538 58 HG SER 8 HG SER 8 8.430 4.474 2.052 59 H SER 9 H SER 9 9.651 2.922 -1.340 60 HA SER 9 HA SER 9 9.111 0.919 -3.335 61 HB2 SER 9 HB2 SER 9 11.607 2.549 -2.691 62 HB3 SER 9 HB3 SER 9 11.517 1.384 -3.997 63 HG SER 9 HG SER 9 9.405 2.853 -4.445 64 H GLN 10 H GLN 10 9.739 0.898 -0.076 65 HA GLN 10 HA GLN 10 11.882 -0.619 0.411 66 HB2 GLN 10 HB2 GLN 10 9.176 -1.150 1.702 67 HB3 GLN 10 HB3 GLN 10 10.756 -1.381 2.424 68 HG2 GLN 10 HG2 GLN 10 9.367 1.237 1.751 69 HG3 GLN 10 HG3 GLN 10 9.957 0.696 3.309 70 HE21 GLN 10 HE21 GLN 10 10.509 3.135 1.807 71 HE22 GLN 10 HE22 GLN 10 12.225 3.236 1.594 72 HA PRO 11 HA PRO 11 11.675 -4.717 -1.068 73 HB2 PRO 11 HB2 PRO 11 11.421 -5.679 1.758 74 HB3 PRO 11 HB3 PRO 11 12.632 -6.117 0.495 75 HG2 PRO 11 HG2 PRO 11 13.287 -4.498 2.482 76 HG3 PRO 11 HG3 PRO 11 13.811 -4.137 0.795 77 HD2 PRO 11 HD2 PRO 11 11.546 -2.973 2.388 78 HD3 PRO 11 HD3 PRO 11 12.757 -2.145 1.339 79 HA PRO 12 HA PRO 12 7.298 -5.534 -1.341 80 HB2 PRO 12 HB2 PRO 12 8.386 -8.066 -2.517 81 HB3 PRO 12 HB3 PRO 12 7.175 -6.911 -3.187 82 HG2 PRO 12 HG2 PRO 12 9.651 -6.952 -4.117 83 HG3 PRO 12 HG3 PRO 12 8.817 -5.385 -3.799 84 HD2 PRO 12 HD2 PRO 12 10.855 -6.842 -2.141 85 HD3 PRO 12 HD3 PRO 12 10.750 -5.089 -2.553 86 H THR 13 H THR 13 6.005 -6.395 0.314 87 HA THR 13 HA THR 13 6.836 -8.958 1.479 88 HB THR 13 HB THR 13 6.017 -7.805 3.711 89 HG1 THR 13 HG1 THR 13 5.713 -5.625 3.421 90 HG21 THR 13 HG21 THR 13 8.267 -6.666 4.031 91 HG22 THR 13 HG22 THR 13 8.406 -8.340 3.443 92 HG23 THR 13 HG23 THR 13 8.615 -6.980 2.313 93 H THR 14 H THR 14 4.937 -9.753 3.002 94 HA THR 14 HA THR 14 2.351 -9.013 1.893 95 HB THR 14 HB THR 14 2.006 -11.608 1.553 96 HG1 THR 14 HG1 THR 14 4.084 -12.163 2.505 97 HG21 THR 14 HG21 THR 14 3.160 -11.533 -0.722 98 HG22 THR 14 HG22 THR 14 2.064 -10.161 -0.429 99 HG23 THR 14 HG23 THR 14 3.823 -9.945 -0.266 100 H LYS 15 H LYS 15 0.537 -9.903 3.138 101 HA LYS 15 HA LYS 15 1.249 -11.047 5.696 102 HB2 LYS 15 HB2 LYS 15 1.415 -8.451 5.788 103 HB3 LYS 15 HB3 LYS 15 -0.336 -8.484 5.724 104 HG2 LYS 15 HG2 LYS 15 1.046 -10.303 7.698 105 HG3 LYS 15 HG3 LYS 15 0.985 -8.590 8.061 106 HD2 LYS 15 HD2 LYS 15 -1.609 -8.918 7.373 107 HD3 LYS 15 HD3 LYS 15 -1.274 -10.571 7.850 108 HE2 LYS 15 HE2 LYS 15 -0.601 -9.888 10.083 109 HE3 LYS 15 HE3 LYS 15 -0.568 -8.196 9.628 110 HZ1 LYS 15 HZ1 LYS 15 -2.582 -8.507 10.689 111 HZ2 LYS 15 HZ2 LYS 15 -3.000 -8.519 9.110 112 HZ3 LYS 15 HZ3 LYS 15 -2.908 -9.922 9.941 113 H THR 16 H THR 16 -0.560 -12.058 6.741 114 HA THR 16 HA THR 16 -2.578 -12.860 4.857 115 HB THR 16 HB THR 16 -2.439 -13.554 7.819 116 HG1 THR 16 HG1 THR 16 -0.851 -14.392 5.499 117 HG21 THR 16 HG21 THR 16 -4.140 -14.881 6.915 118 HG22 THR 16 HG22 THR 16 -3.463 -14.800 5.271 119 HG23 THR 16 HG23 THR 16 -2.739 -15.889 6.479 120 H CYS 17 H CYS 17 -4.660 -12.225 4.678 121 HA CYS 17 HA CYS 17 -5.381 -9.907 6.230 122 HB2 CYS 17 HB2 CYS 17 -7.115 -11.218 4.154 123 HB3 CYS 17 HB3 CYS 17 -7.094 -9.545 4.674 124 H SER 18 H SER 18 -6.587 -10.061 8.092 125 HA SER 18 HA SER 18 -7.890 -12.615 8.560 126 HB2 SER 18 HB2 SER 18 -6.149 -11.579 10.189 127 HB3 SER 18 HB3 SER 18 -7.404 -10.435 10.621 128 HG SER 18 HG SER 18 -8.534 -11.978 11.659 129 H GLY 19 H GLY 19 -10.078 -12.686 8.223 130 HA2 GLY 19 HA2 GLY 19 -12.257 -12.071 8.412 131 HA3 GLY 19 HA3 GLY 19 -11.778 -10.580 9.200 132 H GLU 20 H GLU 20 -9.770 -10.443 6.656 133 HA GLU 20 HA GLU 20 -11.756 -9.030 5.070 134 HB2 GLU 20 HB2 GLU 20 -8.749 -8.748 4.775 135 HB3 GLU 20 HB3 GLU 20 -9.997 -7.614 4.299 136 HG2 GLU 20 HG2 GLU 20 -10.583 -7.268 6.720 137 HG3 GLU 20 HG3 GLU 20 -9.298 -8.369 7.176 138 H THR 21 H THR 21 -11.443 -9.089 2.633 139 HA THR 21 HA THR 21 -10.111 -11.525 1.713 140 HB THR 21 HB THR 21 -12.297 -11.937 0.350 141 HG1 THR 21 HG1 THR 21 -13.989 -10.621 0.999 142 HG21 THR 21 HG21 THR 21 -13.525 -12.924 2.350 143 HG22 THR 21 HG22 THR 21 -11.824 -13.436 2.241 144 HG23 THR 21 HG23 THR 21 -12.301 -12.175 3.404 145 H ASN 22 H ASN 22 -9.916 -8.397 1.626 146 HA ASN 22 HA ASN 22 -9.512 -8.393 -1.253 147 HB2 ASN 22 HB2 ASN 22 -10.673 -6.104 0.422 148 HB3 ASN 22 HB3 ASN 22 -10.228 -5.963 -1.267 149 HD21 ASN 22 HD21 ASN 22 -12.373 -7.495 1.042 150 HD22 ASN 22 HD22 ASN 22 -13.635 -7.943 -0.057 151 H CYS 23 H CYS 23 -7.770 -6.806 -1.907 152 HA CYS 23 HA CYS 23 -6.019 -6.190 0.361 153 HB2 CYS 23 HB2 CYS 23 -5.177 -6.830 -2.472 154 HB3 CYS 23 HB3 CYS 23 -4.119 -6.490 -1.118 155 H TYR 24 H TYR 24 -5.227 -4.055 0.471 156 HA TYR 24 HA TYR 24 -6.192 -2.265 -1.658 157 HB2 TYR 24 HB2 TYR 24 -6.630 -0.703 0.139 158 HB3 TYR 24 HB3 TYR 24 -7.130 -2.241 0.814 159 HD1 TYR 24 HD1 TYR 24 -4.541 0.384 0.884 160 HD2 TYR 24 HD2 TYR 24 -5.884 -3.289 2.621 161 HE1 TYR 24 HE1 TYR 24 -2.947 0.716 2.836 162 HE2 TYR 24 HE2 TYR 24 -4.285 -2.944 4.567 163 HH TYR 24 HH TYR 24 -3.158 -1.158 5.674 164 H LYS 25 H LYS 25 -4.835 -0.426 -2.196 165 HA LYS 25 HA LYS 25 -2.106 -0.584 -1.180 166 HB2 LYS 25 HB2 LYS 25 -1.855 -1.923 -3.095 167 HB3 LYS 25 HB3 LYS 25 -2.942 -0.939 -4.054 168 HG2 LYS 25 HG2 LYS 25 -1.351 0.811 -4.307 169 HG3 LYS 25 HG3 LYS 25 -0.409 0.289 -2.925 170 HD2 LYS 25 HD2 LYS 25 0.822 -0.339 -4.917 171 HD3 LYS 25 HD3 LYS 25 0.209 -1.813 -4.196 172 HE2 LYS 25 HE2 LYS 25 -0.115 -1.701 -6.702 173 HE3 LYS 25 HE3 LYS 25 -1.604 -1.957 -5.813 174 HZ1 LYS 25 HZ1 LYS 25 -0.933 0.794 -6.230 175 HZ2 LYS 25 HZ2 LYS 25 -1.240 -0.034 -7.604 176 HZ3 LYS 25 HZ3 LYS 25 -2.364 0.030 -6.420 177 H LYS 26 H LYS 26 -1.591 1.393 -0.430 178 HA LYS 26 HA LYS 26 -2.943 3.671 -1.697 179 HB2 LYS 26 HB2 LYS 26 -1.686 3.858 1.013 180 HB3 LYS 26 HB3 LYS 26 -3.052 4.730 0.348 181 HG2 LYS 26 HG2 LYS 26 -4.461 2.704 0.468 182 HG3 LYS 26 HG3 LYS 26 -3.094 1.745 0.999 183 HD2 LYS 26 HD2 LYS 26 -4.340 4.084 2.520 184 HD3 LYS 26 HD3 LYS 26 -4.511 2.388 2.926 185 HE2 LYS 26 HE2 LYS 26 -1.840 2.436 2.961 186 HE3 LYS 26 HE3 LYS 26 -2.070 4.160 3.178 187 HZ1 LYS 26 HZ1 LYS 26 -2.514 2.063 5.020 188 HZ2 LYS 26 HZ2 LYS 26 -2.373 3.666 5.294 189 HZ3 LYS 26 HZ3 LYS 26 -3.825 3.030 4.900 190 H TRP 27 H TRP 27 -1.726 5.447 -2.402 191 HA TRP 27 HA TRP 27 1.091 5.534 -1.890 192 HB2 TRP 27 HB2 TRP 27 1.890 5.212 -4.096 193 HB3 TRP 27 HB3 TRP 27 0.955 3.798 -3.650 194 HD1 TRP 27 HD1 TRP 27 0.974 6.665 -6.171 195 HE1 TRP 27 HE1 TRP 27 -0.876 6.351 -8.026 196 HE3 TRP 27 HE3 TRP 27 -1.385 2.773 -3.902 197 HZ2 TRP 27 HZ2 TRP 27 -3.069 4.550 -8.330 198 HZ3 TRP 27 HZ3 TRP 27 -3.373 1.795 -5.045 199 HH2 TRP 27 HH2 TRP 27 -4.220 2.621 -7.183 200 H TRP 28 H TRP 28 1.900 7.646 -2.362 201 HA TRP 28 HA TRP 28 0.308 9.473 -3.882 202 HB2 TRP 28 HB2 TRP 28 -0.211 11.022 -2.113 203 HB3 TRP 28 HB3 TRP 28 -0.982 9.476 -1.819 204 HD1 TRP 28 HD1 TRP 28 1.524 11.872 -0.259 205 HE1 TRP 28 HE1 TRP 28 2.298 11.073 2.135 206 HE3 TRP 28 HE3 TRP 28 -0.573 7.249 -0.546 207 HZ2 TRP 28 HZ2 TRP 28 1.954 8.652 3.606 208 HZ3 TRP 28 HZ3 TRP 28 -0.308 5.729 1.412 209 HH2 TRP 28 HH2 TRP 28 0.904 6.365 3.437 210 H SER 29 H SER 29 1.442 11.753 -3.689 211 HA SER 29 HA SER 29 4.290 11.180 -3.563 212 HB2 SER 29 HB2 SER 29 2.646 13.210 -5.110 213 HB3 SER 29 HB3 SER 29 4.374 13.421 -4.911 214 HG SER 29 HG SER 29 3.138 11.930 -6.746 215 H ASP 30 H ASP 30 5.734 12.860 -2.623 216 HA ASP 30 HA ASP 30 4.383 14.823 -1.003 217 HB2 ASP 30 HB2 ASP 30 6.262 12.682 0.095 218 HB3 ASP 30 HB3 ASP 30 5.856 14.138 0.981 219 H HIS 31 H HIS 31 6.187 16.287 0.086 220 HA HIS 31 HA HIS 31 7.982 17.048 -1.938 221 HB2 HIS 31 HB2 HIS 31 8.011 17.906 0.964 222 HB3 HIS 31 HB3 HIS 31 8.676 18.771 -0.407 223 HD1 HIS 31 HD1 HIS 31 5.582 18.336 1.554 224 HD2 HIS 31 HD2 HIS 31 6.632 19.837 -2.219 225 HE1 HIS 31 HE1 HIS 31 3.591 19.717 0.755 226 HE2 HIS 31 HE2 HIS 31 4.317 20.658 -1.544 227 H ARG 32 H ARG 32 8.070 14.507 0.321 228 HA ARG 32 HA ARG 32 10.963 14.609 0.450 229 HB2 ARG 32 HB2 ARG 32 9.765 14.255 2.598 230 HB3 ARG 32 HB3 ARG 32 8.938 12.859 1.935 231 HG2 ARG 32 HG2 ARG 32 10.949 11.562 1.834 232 HG3 ARG 32 HG3 ARG 32 11.975 12.975 1.981 233 HD2 ARG 32 HD2 ARG 32 11.592 11.433 4.091 234 HD3 ARG 32 HD3 ARG 32 11.621 13.173 4.297 235 HE ARG 32 HE ARG 32 9.333 13.137 4.816 236 HH11 ARG 32 HH22 ARG 32 10.240 10.081 3.324 237 HH12 ARG 32 HH21 ARG 32 8.716 9.324 3.649 238 HH21 ARG 32 HH12 ARG 32 7.323 12.138 5.245 239 HH22 ARG 32 HH11 ARG 32 7.046 10.502 4.749 240 H GLY 33 H GLY 33 8.192 12.894 -0.930 241 HA2 GLY 33 HA2 GLY 33 9.342 11.715 -3.029 242 HA3 GLY 33 HA3 GLY 33 9.765 10.592 -1.752 243 H THR 34 H THR 34 8.320 9.264 -3.396 244 HA THR 34 HA THR 34 5.480 9.699 -2.965 245 HB THR 34 HB THR 34 7.188 7.844 -4.688 246 HG1 THR 34 HG1 THR 34 5.035 9.674 -5.372 247 HG21 THR 34 HG21 THR 34 4.671 7.605 -5.711 248 HG22 THR 34 HG22 THR 34 5.346 6.421 -4.566 249 HG23 THR 34 HG23 THR 34 4.267 7.711 -3.981 250 H ILE 35 H ILE 35 4.491 8.979 -1.195 251 HA ILE 35 HA ILE 35 5.718 6.782 0.251 252 HB ILE 35 HB ILE 35 3.427 8.635 0.913 253 HG12 ILE 35 HG12 ILE 35 6.346 8.588 1.695 254 HG13 ILE 35 HG13 ILE 35 5.455 9.874 0.906 255 HG21 ILE 35 HG21 ILE 35 3.031 6.548 2.024 256 HG22 ILE 35 HG22 ILE 35 4.727 6.447 2.553 257 HG23 ILE 35 HG23 ILE 35 3.662 7.708 3.217 258 HD11 ILE 35 HD11 ILE 35 5.150 8.910 3.780 259 HD12 ILE 35 HD12 ILE 35 5.679 10.514 3.219 260 HD13 ILE 35 HD13 ILE 35 3.986 10.009 3.002 261 H ILE 36 H ILE 36 4.888 4.726 0.397 262 HA ILE 36 HA ILE 36 2.294 4.289 -0.897 263 HB ILE 36 HB ILE 36 4.656 2.456 -1.257 264 HG12 ILE 36 HG12 ILE 36 3.729 4.667 -3.115 265 HG13 ILE 36 HG13 ILE 36 5.232 4.641 -2.215 266 HG21 ILE 36 HG21 ILE 36 1.972 2.029 -1.645 267 HG22 ILE 36 HG22 ILE 36 2.518 2.525 -3.265 268 HG23 ILE 36 HG23 ILE 36 3.292 1.146 -2.449 269 HD11 ILE 36 HD11 ILE 36 5.655 3.895 -4.509 270 HD12 ILE 36 HD12 ILE 36 5.879 2.518 -3.404 271 HD13 ILE 36 HD13 ILE 36 4.391 2.650 -4.371 272 H GLU 37 H GLU 37 0.892 3.243 0.411 273 HA GLU 37 HA GLU 37 2.076 1.575 2.484 274 HB2 GLU 37 HB2 GLU 37 1.394 3.678 3.542 275 HB3 GLU 37 HB3 GLU 37 -0.195 3.583 2.810 276 HG2 GLU 37 HG2 GLU 37 -0.560 2.759 5.000 277 HG3 GLU 37 HG3 GLU 37 -0.440 1.299 4.039 278 H ARG 38 H ARG 38 1.425 -0.503 2.158 279 HA ARG 38 HA ARG 38 -1.260 -0.831 1.078 280 HB2 ARG 38 HB2 ARG 38 1.036 -2.814 0.733 281 HB3 ARG 38 HB3 ARG 38 -0.496 -2.810 -0.118 282 HG2 ARG 38 HG2 ARG 38 0.084 -0.895 -1.418 283 HG3 ARG 38 HG3 ARG 38 1.361 -0.416 -0.317 284 HD2 ARG 38 HD2 ARG 38 2.802 -2.219 -1.036 285 HD3 ARG 38 HD3 ARG 38 1.491 -3.044 -1.856 286 HE ARG 38 HE ARG 38 1.754 -0.432 -2.994 287 HH11 ARG 38 HH22 ARG 38 3.493 -3.487 -2.838 288 HH12 ARG 38 HH21 ARG 38 4.285 -3.261 -4.362 289 HH21 ARG 38 HH12 ARG 38 2.797 -0.133 -5.004 290 HH22 ARG 38 HH11 ARG 38 3.886 -1.340 -5.603 291 H GLY 39 H GLY 39 -2.311 -2.983 1.733 292 HA2 GLY 39 HA2 GLY 39 -1.277 -4.532 3.852 293 HA3 GLY 39 HA3 GLY 39 -2.327 -3.290 4.505 294 H CYS 40 H CYS 40 -3.414 -5.550 5.081 295 HA CYS 40 HA CYS 40 -4.908 -6.655 2.891 296 HB2 CYS 40 HB2 CYS 40 -4.604 -7.297 5.805 297 HB3 CYS 40 HB3 CYS 40 -5.962 -7.950 4.910 298 H GLY 41 H GLY 41 -7.291 -6.631 2.825 299 HA2 GLY 41 HA2 GLY 41 -9.374 -5.867 3.529 300 HA3 GLY 41 HA3 GLY 41 -8.609 -4.675 4.561 301 H CYS 42 H CYS 42 -10.270 -3.221 3.476 302 HA CYS 42 HA CYS 42 -8.984 -1.979 1.197 303 HB2 CYS 42 HB2 CYS 42 -10.525 -3.432 0.088 304 HB3 CYS 42 HB3 CYS 42 -11.832 -2.981 1.164 305 HA PRO 43 HA PRO 43 -10.444 0.786 4.635 306 HB2 PRO 43 HB2 PRO 43 -8.099 2.190 4.725 307 HB3 PRO 43 HB3 PRO 43 -8.313 0.616 5.578 308 HG2 PRO 43 HG2 PRO 43 -7.068 1.183 2.907 309 HG3 PRO 43 HG3 PRO 43 -6.451 0.171 4.266 310 HD2 PRO 43 HD2 PRO 43 -7.698 -0.894 2.136 311 HD3 PRO 43 HD3 PRO 43 -7.908 -1.550 3.803 312 H LYS 44 H LYS 44 -10.124 3.376 4.640 313 HA LYS 44 HA LYS 44 -10.554 4.218 1.858 314 HB2 LYS 44 HB2 LYS 44 -12.564 4.200 3.420 315 HB3 LYS 44 HB3 LYS 44 -11.782 5.485 4.317 316 HG2 LYS 44 HG2 LYS 44 -13.199 6.609 2.757 317 HG3 LYS 44 HG3 LYS 44 -11.588 6.762 2.084 318 HD2 LYS 44 HD2 LYS 44 -11.992 5.174 0.384 319 HD3 LYS 44 HD3 LYS 44 -13.275 4.384 1.279 320 HE2 LYS 44 HE2 LYS 44 -14.100 5.773 -0.669 321 HE3 LYS 44 HE3 LYS 44 -14.817 6.220 0.866 322 HZ1 LYS 44 HZ1 LYS 44 -13.412 7.841 -0.835 323 HZ2 LYS 44 HZ2 LYS 44 -13.966 8.223 0.653 324 HZ3 LYS 44 HZ3 LYS 44 -12.446 7.655 0.468 325 H VAL 45 H VAL 45 -9.499 6.072 1.120 326 HA VAL 45 HA VAL 45 -7.515 7.140 3.008 327 HB VAL 45 HB VAL 45 -6.078 7.511 1.109 328 HG11 VAL 45 HG11 VAL 45 -7.209 4.701 1.270 329 HG12 VAL 45 HG12 VAL 45 -5.721 5.121 0.388 330 HG13 VAL 45 HG13 VAL 45 -5.813 5.370 2.148 331 HG21 VAL 45 HG21 VAL 45 -6.819 6.416 -1.129 332 HG22 VAL 45 HG22 VAL 45 -8.468 6.593 -0.483 333 HG23 VAL 45 HG23 VAL 45 -7.443 8.030 -0.712 334 H LYS 46 H LYS 46 -6.866 9.463 2.505 335 HA LYS 46 HA LYS 46 -9.308 10.966 2.148 336 HB2 LYS 46 HB2 LYS 46 -6.594 12.131 2.746 337 HB3 LYS 46 HB3 LYS 46 -8.178 12.752 3.168 338 HG2 LYS 46 HG2 LYS 46 -8.425 10.510 4.544 339 HG3 LYS 46 HG3 LYS 46 -6.682 10.416 4.399 340 HD2 LYS 46 HD2 LYS 46 -6.664 12.878 5.282 341 HD3 LYS 46 HD3 LYS 46 -8.329 12.590 5.745 342 HE2 LYS 46 HE2 LYS 46 -6.797 12.115 7.636 343 HE3 LYS 46 HE3 LYS 46 -7.644 10.662 7.145 344 HZ1 LYS 46 HZ1 LYS 46 -5.753 9.731 6.505 345 HZ2 LYS 46 HZ2 LYS 46 -5.194 11.066 5.749 346 HZ3 LYS 46 HZ3 LYS 46 -4.990 10.894 7.361 347 HA PRO 47 HA PRO 47 -8.853 12.623 -1.833 348 HB2 PRO 47 HB2 PRO 47 -8.363 15.315 -0.613 349 HB3 PRO 47 HB3 PRO 47 -9.604 14.803 -1.818 350 HG2 PRO 47 HG2 PRO 47 -10.274 15.227 0.706 351 HG3 PRO 47 HG3 PRO 47 -10.919 13.799 -0.186 352 HD2 PRO 47 HD2 PRO 47 -8.669 13.961 1.796 353 HD3 PRO 47 HD3 PRO 47 -10.000 12.752 1.666 354 H GLY 48 H GLY 48 -7.098 12.701 -3.293 355 HA2 GLY 48 HA2 GLY 48 -5.088 13.677 -4.047 356 HA3 GLY 48 HA3 GLY 48 -4.610 13.988 -2.390 357 H VAL 49 H VAL 49 -5.402 11.336 -1.334 358 HA VAL 49 HA VAL 49 -3.024 9.931 -2.139 359 HB VAL 49 HB VAL 49 -5.117 8.941 -0.224 360 HG11 VAL 49 HG11 VAL 49 -2.092 8.696 -0.352 361 HG12 VAL 49 HG12 VAL 49 -3.116 8.048 0.952 362 HG13 VAL 49 HG13 VAL 49 -3.285 7.424 -0.706 363 HG21 VAL 49 HG21 VAL 49 -3.578 11.425 -0.014 364 HG22 VAL 49 HG22 VAL 49 -4.952 10.841 0.955 365 HG23 VAL 49 HG23 VAL 49 -3.297 10.316 1.350 366 H ASN 50 H ASN 50 -2.941 7.846 -3.101 367 HA ASN 50 HA ASN 50 -5.313 7.309 -4.667 368 HB2 ASN 50 HB2 ASN 50 -2.381 6.518 -4.885 369 HB3 ASN 50 HB3 ASN 50 -3.593 5.634 -5.790 370 HD21 ASN 50 HD21 ASN 50 -1.748 8.500 -5.503 371 HD22 ASN 50 HD22 ASN 50 -2.318 9.341 -6.905 372 H LEU 51 H LEU 51 -6.307 5.178 -4.636 373 HA LEU 51 HA LEU 51 -5.170 3.218 -2.817 374 HB2 LEU 51 HB2 LEU 51 -6.521 4.449 -1.311 375 HB3 LEU 51 HB3 LEU 51 -7.853 4.536 -2.447 376 HG LEU 51 HG LEU 51 -8.297 2.162 -2.199 377 HD11 LEU 51 HD11 LEU 51 -6.585 0.812 -1.747 378 HD12 LEU 51 HD12 LEU 51 -5.617 2.134 -1.053 379 HD13 LEU 51 HD13 LEU 51 -6.801 1.273 -0.042 380 HD21 LEU 51 HD21 LEU 51 -8.521 4.102 -0.108 381 HD22 LEU 51 HD22 LEU 51 -9.603 2.746 -0.507 382 HD23 LEU 51 HD23 LEU 51 -8.246 2.500 0.618 383 H ASN 52 H ASN 52 -5.614 1.102 -3.436 384 HA ASN 52 HA ASN 52 -7.520 0.817 -5.606 385 HB2 ASN 52 HB2 ASN 52 -5.180 0.972 -6.561 386 HB3 ASN 52 HB3 ASN 52 -4.706 -0.398 -5.576 387 HD21 ASN 52 HD21 ASN 52 -5.419 -2.449 -6.047 388 HD22 ASN 52 HD22 ASN 52 -6.166 -2.885 -7.548 389 H CYS 53 H CYS 53 -8.930 -0.842 -5.023 390 HA CYS 53 HA CYS 53 -7.910 -2.807 -3.106 391 HB2 CYS 53 HB2 CYS 53 -10.765 -1.929 -3.587 392 HB3 CYS 53 HB3 CYS 53 -10.249 -3.149 -2.440 393 H CYS 54 H CYS 54 -8.337 -5.055 -3.549 394 HA CYS 54 HA CYS 54 -9.765 -5.703 -5.959 395 HB2 CYS 54 HB2 CYS 54 -7.718 -7.144 -6.681 396 HB3 CYS 54 HB3 CYS 54 -7.845 -5.463 -7.160 397 H ARG 55 H ARG 55 -9.894 -8.197 -6.137 398 HA ARG 55 HA ARG 55 -9.788 -9.261 -3.431 399 HB2 ARG 55 HB2 ARG 55 -11.597 -10.010 -5.782 400 HB3 ARG 55 HB3 ARG 55 -11.589 -10.862 -4.251 401 HG2 ARG 55 HG2 ARG 55 -12.602 -9.105 -3.097 402 HG3 ARG 55 HG3 ARG 55 -11.915 -7.874 -4.138 403 HD2 ARG 55 HD2 ARG 55 -14.156 -7.840 -4.828 404 HD3 ARG 55 HD3 ARG 55 -13.466 -8.943 -6.002 405 HE ARG 55 HE ARG 55 -14.362 -10.374 -3.644 406 HH11 ARG 55 HH22 ARG 55 -15.511 -8.859 -6.605 407 HH12 ARG 55 HH21 ARG 55 -16.930 -9.847 -6.711 408 HH21 ARG 55 HH12 ARG 55 -16.234 -11.677 -3.783 409 HH22 ARG 55 HH11 ARG 55 -17.344 -11.461 -5.095 410 H THR 56 H THR 56 -7.397 -9.326 -4.841 411 HA THR 56 HA THR 56 -7.187 -12.178 -5.508 412 HB THR 56 HB THR 56 -5.420 -11.215 -7.258 413 HG1 THR 56 HG1 THR 56 -7.038 -9.119 -7.819 414 HG21 THR 56 HG21 THR 56 -8.445 -10.935 -7.665 415 HG22 THR 56 HG22 THR 56 -7.238 -10.901 -8.973 416 HG23 THR 56 HG23 THR 56 -7.474 -12.385 -8.019 417 H ASP 57 H ASP 57 -5.288 -13.207 -4.868 418 HA ASP 57 HA ASP 57 -4.145 -12.186 -2.585 419 HB2 ASP 57 HB2 ASP 57 -3.034 -14.268 -4.525 420 HB3 ASP 57 HB3 ASP 57 -2.469 -14.037 -2.883 421 H ARG 58 H ARG 58 -2.127 -11.092 -2.212 422 HA ARG 58 HA ARG 58 -0.653 -9.557 -2.700 423 HB2 ARG 58 HB2 ARG 58 0.370 -11.419 -4.881 424 HB3 ARG 58 HB3 ARG 58 1.309 -10.408 -3.801 425 HG2 ARG 58 HG2 ARG 58 0.236 -11.872 -1.882 426 HG3 ARG 58 HG3 ARG 58 -0.138 -13.000 -3.170 427 HD2 ARG 58 HD2 ARG 58 2.167 -13.360 -3.696 428 HD3 ARG 58 HD3 ARG 58 2.680 -11.899 -2.874 429 HE ARG 58 HE ARG 58 1.458 -13.498 -0.899 430 HH11 ARG 58 HH22 ARG 58 4.215 -13.747 -3.071 431 HH12 ARG 58 HH21 ARG 58 5.119 -14.777 -2.012 432 HH21 ARG 58 HH12 ARG 58 2.649 -14.857 0.499 433 HH22 ARG 58 HH11 ARG 58 4.222 -15.413 0.033 434 H CYS 59 H CYS 59 -3.093 -9.070 -4.121 435 HA CYS 59 HA CYS 59 -2.353 -8.443 -6.835 436 HB2 CYS 59 HB2 CYS 59 -4.631 -7.862 -7.171 437 HB3 CYS 59 HB3 CYS 59 -4.580 -9.365 -6.272 438 H ASN 60 H ASN 60 -2.469 -7.005 -3.634 439 HA ASN 60 HA ASN 60 -2.457 -4.338 -4.733 440 HB2 ASN 60 HB2 ASN 60 -2.592 -3.602 -2.383 441 HB3 ASN 60 HB3 ASN 60 -3.781 -4.860 -2.653 442 HD21 ASN 60 HD21 ASN 60 -2.132 -3.851 -0.300 443 HD22 ASN 60 HD22 ASN 60 -1.477 -5.274 0.438 444 H ASN 61 H ASN 61 -0.230 -5.773 -5.604 445 HA ASN 61 HA ASN 61 1.892 -5.255 -3.721 446 HB2 ASN 61 HB2 ASN 61 3.249 -6.661 -5.106 447 HB3 ASN 61 HB3 ASN 61 1.665 -7.408 -5.170 448 HD21 ASN 61 HD21 ASN 61 4.161 -5.813 -6.886 449 HD22 ASN 61 HD22 ASN 61 3.474 -5.849 -8.476 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 -5.388 -15.629 2.569 2 H2 LEU 1 H2 LEU 1 -6.799 -15.915 1.751 3 H3 LEU 1 H3 LEU 1 -6.742 -14.743 2.919 4 HA LEU 1 HA LEU 1 -5.520 -14.767 0.290 5 HB2 LEU 1 HB2 LEU 1 -7.763 -14.006 0.268 6 HB3 LEU 1 HB3 LEU 1 -7.523 -13.003 1.685 7 HG LEU 1 HG LEU 1 -5.787 -11.739 0.183 8 HD11 LEU 1 HD11 LEU 1 -5.698 -13.203 -1.695 9 HD12 LEU 1 HD12 LEU 1 -7.468 -13.183 -1.877 10 HD13 LEU 1 HD13 LEU 1 -6.522 -11.715 -2.218 11 HD21 LEU 1 HD21 LEU 1 -7.326 -10.095 -0.012 12 HD22 LEU 1 HD22 LEU 1 -8.548 -11.165 -0.739 13 HD23 LEU 1 HD23 LEU 1 -8.282 -11.185 1.021 14 H GLU 2 H GLU 2 -3.706 -13.538 -0.129 15 HA GLU 2 HA GLU 2 -2.553 -12.300 2.244 16 HB2 GLU 2 HB2 GLU 2 -1.110 -13.283 -0.256 17 HB3 GLU 2 HB3 GLU 2 -0.356 -12.693 1.212 18 HG2 GLU 2 HG2 GLU 2 -1.574 -14.580 2.466 19 HG3 GLU 2 HG3 GLU 2 -2.034 -15.222 0.902 20 H CYS 3 H CYS 3 -1.617 -10.185 2.089 21 HA CYS 3 HA CYS 3 -2.057 -8.827 -0.454 22 HB2 CYS 3 HB2 CYS 3 -2.861 -7.567 2.166 23 HB3 CYS 3 HB3 CYS 3 -3.134 -6.961 0.545 24 H HIS 4 H HIS 4 -0.393 -7.341 -0.920 25 HA HIS 4 HA HIS 4 1.987 -7.624 0.511 26 HB2 HIS 4 HB2 HIS 4 1.020 -5.878 -1.726 27 HB3 HIS 4 HB3 HIS 4 2.542 -5.487 -0.951 28 HD1 HIS 4 HD1 HIS 4 4.541 -7.138 -1.291 29 HD2 HIS 4 HD2 HIS 4 1.021 -8.243 -3.287 30 HE1 HIS 4 HE1 HIS 4 5.199 -8.973 -2.937 31 HE2 HIS 4 HE2 HIS 4 2.986 -9.650 -4.095 32 H ASN 5 H ASN 5 3.040 -6.312 2.027 33 HA ASN 5 HA ASN 5 1.363 -4.165 3.069 34 HB2 ASN 5 HB2 ASN 5 2.020 -4.743 5.299 35 HB3 ASN 5 HB3 ASN 5 1.713 -6.290 4.536 36 HD21 ASN 5 HD21 ASN 5 3.155 -7.773 4.918 37 HD22 ASN 5 HD22 ASN 5 4.849 -7.553 5.202 38 H GLN 6 H GLN 6 3.900 -4.645 1.131 39 HA GLN 6 HA GLN 6 6.031 -3.384 2.422 40 HB2 GLN 6 HB2 GLN 6 6.759 -3.012 -0.081 41 HB3 GLN 6 HB3 GLN 6 6.683 -4.640 0.564 42 HG2 GLN 6 HG2 GLN 6 4.768 -5.193 -0.648 43 HG3 GLN 6 HG3 GLN 6 4.159 -3.549 -0.652 44 HE21 GLN 6 HE21 GLN 6 5.216 -5.875 -2.587 45 HE22 GLN 6 HE22 GLN 6 5.958 -4.985 -3.875 46 H GLN 7 H GLN 7 6.729 -1.213 2.443 47 HA GLN 7 HA GLN 7 4.679 0.650 1.547 48 HB2 GLN 7 HB2 GLN 7 6.114 2.205 3.172 49 HB3 GLN 7 HB3 GLN 7 4.896 1.115 3.804 50 HG2 GLN 7 HG2 GLN 7 7.770 0.186 3.465 51 HG3 GLN 7 HG3 GLN 7 7.291 1.098 4.883 52 HE21 GLN 7 HE21 GLN 7 8.255 -1.387 5.198 53 HE22 GLN 7 HE22 GLN 7 7.023 -2.504 5.683 54 H SER 8 H SER 8 5.525 2.842 0.768 55 HA SER 8 HA SER 8 6.506 3.753 -0.993 56 HB2 SER 8 HB2 SER 8 9.043 3.190 0.595 57 HB3 SER 8 HB3 SER 8 8.741 4.551 -0.468 58 HG SER 8 HG SER 8 7.582 5.559 1.063 59 H SER 9 H SER 9 9.661 2.943 -1.211 60 HA SER 9 HA SER 9 9.090 1.004 -3.277 61 HB2 SER 9 HB2 SER 9 11.469 2.782 -2.645 62 HB3 SER 9 HB3 SER 9 11.611 1.467 -3.794 63 HG SER 9 HG SER 9 9.405 3.248 -4.103 64 H GLN 10 H GLN 10 9.742 0.945 -0.023 65 HA GLN 10 HA GLN 10 11.889 -0.583 0.424 66 HB2 GLN 10 HB2 GLN 10 9.219 -1.168 1.755 67 HB3 GLN 10 HB3 GLN 10 10.819 -1.310 2.456 68 HG2 GLN 10 HG2 GLN 10 10.918 1.315 1.789 69 HG3 GLN 10 HG3 GLN 10 9.179 1.160 1.943 70 HE21 GLN 10 HE21 GLN 10 11.972 -0.271 3.635 71 HE22 GLN 10 HE22 GLN 10 11.506 0.175 5.243 72 HA PRO 11 HA PRO 11 11.647 -4.665 -1.090 73 HB2 PRO 11 HB2 PRO 11 11.424 -5.653 1.729 74 HB3 PRO 11 HB3 PRO 11 12.617 -6.083 0.447 75 HG2 PRO 11 HG2 PRO 11 13.304 -4.486 2.441 76 HG3 PRO 11 HG3 PRO 11 13.808 -4.112 0.751 77 HD2 PRO 11 HD2 PRO 11 11.568 -2.954 2.382 78 HD3 PRO 11 HD3 PRO 11 12.770 -2.121 1.327 79 HA PRO 12 HA PRO 12 7.255 -5.437 -1.308 80 HB2 PRO 12 HB2 PRO 12 8.308 -7.940 -2.574 81 HB3 PRO 12 HB3 PRO 12 7.090 -6.760 -3.189 82 HG2 PRO 12 HG2 PRO 12 9.547 -6.787 -4.166 83 HG3 PRO 12 HG3 PRO 12 8.728 -5.226 -3.788 84 HD2 PRO 12 HD2 PRO 12 10.789 -6.738 -2.212 85 HD3 PRO 12 HD3 PRO 12 10.685 -4.974 -2.573 86 H THR 13 H THR 13 5.985 -6.341 0.343 87 HA THR 13 HA THR 13 6.831 -8.936 1.425 88 HB THR 13 HB THR 13 6.046 -7.842 3.699 89 HG1 THR 13 HG1 THR 13 5.279 -5.857 2.808 90 HG21 THR 13 HG21 THR 13 8.301 -6.710 4.015 91 HG22 THR 13 HG22 THR 13 8.430 -8.369 3.382 92 HG23 THR 13 HG23 THR 13 8.623 -6.981 2.285 93 H THR 14 H THR 14 4.953 -9.765 2.960 94 HA THR 14 HA THR 14 2.353 -8.999 1.904 95 HB THR 14 HB THR 14 2.001 -11.586 1.509 96 HG1 THR 14 HG1 THR 14 3.944 -12.694 1.506 97 HG21 THR 14 HG21 THR 14 2.036 -10.091 -0.439 98 HG22 THR 14 HG22 THR 14 3.798 -9.887 -0.297 99 HG23 THR 14 HG23 THR 14 3.120 -11.461 -0.778 100 H LYS 15 H LYS 15 0.558 -9.867 3.165 101 HA LYS 15 HA LYS 15 1.304 -11.081 5.686 102 HB2 LYS 15 HB2 LYS 15 0.473 -8.236 5.398 103 HB3 LYS 15 HB3 LYS 15 -0.269 -9.143 6.700 104 HG2 LYS 15 HG2 LYS 15 1.890 -9.719 7.653 105 HG3 LYS 15 HG3 LYS 15 2.744 -9.137 6.238 106 HD2 LYS 15 HD2 LYS 15 2.736 -7.561 8.264 107 HD3 LYS 15 HD3 LYS 15 2.259 -6.844 6.738 108 HE2 LYS 15 HE2 LYS 15 -0.164 -7.227 7.358 109 HE3 LYS 15 HE3 LYS 15 0.358 -7.842 8.914 110 HZ1 LYS 15 HZ1 LYS 15 1.650 -5.536 8.814 111 HZ2 LYS 15 HZ2 LYS 15 0.319 -5.141 7.953 112 HZ3 LYS 15 HZ3 LYS 15 0.167 -5.708 9.477 113 H THR 16 H THR 16 -0.494 -12.105 6.743 114 HA THR 16 HA THR 16 -2.528 -12.890 4.870 115 HB THR 16 HB THR 16 -2.367 -13.612 7.824 116 HG1 THR 16 HG1 THR 16 -0.904 -14.766 5.565 117 HG21 THR 16 HG21 THR 16 -4.065 -14.941 6.922 118 HG22 THR 16 HG22 THR 16 -3.407 -14.833 5.271 119 HG23 THR 16 HG23 THR 16 -2.664 -15.935 6.456 120 H CYS 17 H CYS 17 -4.584 -12.204 4.677 121 HA CYS 17 HA CYS 17 -5.304 -9.924 6.276 122 HB2 CYS 17 HB2 CYS 17 -7.049 -11.200 4.188 123 HB3 CYS 17 HB3 CYS 17 -7.018 -9.534 4.730 124 H SER 18 H SER 18 -6.506 -10.100 8.139 125 HA SER 18 HA SER 18 -7.820 -12.655 8.571 126 HB2 SER 18 HB2 SER 18 -6.055 -11.534 10.197 127 HB3 SER 18 HB3 SER 18 -7.415 -10.559 10.717 128 HG SER 18 HG SER 18 -8.426 -12.315 11.578 129 H GLY 19 H GLY 19 -10.012 -12.709 8.259 130 HA2 GLY 19 HA2 GLY 19 -12.185 -12.079 8.484 131 HA3 GLY 19 HA3 GLY 19 -11.685 -10.594 9.268 132 H GLU 20 H GLU 20 -9.708 -10.476 6.696 133 HA GLU 20 HA GLU 20 -11.698 -9.037 5.140 134 HB2 GLU 20 HB2 GLU 20 -8.694 -8.796 4.793 135 HB3 GLU 20 HB3 GLU 20 -9.934 -7.642 4.346 136 HG2 GLU 20 HG2 GLU 20 -10.474 -7.639 6.953 137 HG3 GLU 20 HG3 GLU 20 -8.850 -8.283 7.100 138 H THR 21 H THR 21 -11.381 -9.081 2.690 139 HA THR 21 HA THR 21 -10.107 -11.536 1.750 140 HB THR 21 HB THR 21 -12.314 -11.939 0.427 141 HG1 THR 21 HG1 THR 21 -14.126 -10.892 1.666 142 HG21 THR 21 HG21 THR 21 -11.841 -13.425 2.326 143 HG22 THR 21 HG22 THR 21 -12.284 -12.147 3.483 144 HG23 THR 21 HG23 THR 21 -13.533 -12.889 2.454 145 H ASN 22 H ASN 22 -9.891 -8.408 1.663 146 HA ASN 22 HA ASN 22 -9.518 -8.408 -1.219 147 HB2 ASN 22 HB2 ASN 22 -10.668 -6.113 0.455 148 HB3 ASN 22 HB3 ASN 22 -10.243 -5.982 -1.240 149 HD21 ASN 22 HD21 ASN 22 -12.362 -7.495 1.105 150 HD22 ASN 22 HD22 ASN 22 -13.635 -7.955 0.024 151 H CYS 23 H CYS 23 -7.782 -6.827 -1.891 152 HA CYS 23 HA CYS 23 -6.020 -6.191 0.364 153 HB2 CYS 23 HB2 CYS 23 -5.189 -6.851 -2.468 154 HB3 CYS 23 HB3 CYS 23 -4.125 -6.504 -1.119 155 H TYR 24 H TYR 24 -5.198 -4.060 0.435 156 HA TYR 24 HA TYR 24 -6.185 -2.287 -1.698 157 HB2 TYR 24 HB2 TYR 24 -6.616 -0.709 0.086 158 HB3 TYR 24 HB3 TYR 24 -7.108 -2.241 0.781 159 HD1 TYR 24 HD2 TYR 24 -4.525 0.389 0.807 160 HD2 TYR 24 HD1 TYR 24 -5.847 -3.268 2.589 161 HE1 TYR 24 HE2 TYR 24 -2.918 0.744 2.744 162 HE2 TYR 24 HE1 TYR 24 -4.236 -2.901 4.521 163 HH TYR 24 HH TYR 24 -1.819 -0.438 4.408 164 H LYS 25 H LYS 25 -4.832 -0.443 -2.246 165 HA LYS 25 HA LYS 25 -2.097 -0.600 -1.250 166 HB2 LYS 25 HB2 LYS 25 -1.932 -1.975 -3.180 167 HB3 LYS 25 HB3 LYS 25 -2.926 -0.898 -4.141 168 HG2 LYS 25 HG2 LYS 25 -1.085 0.904 -3.677 169 HG3 LYS 25 HG3 LYS 25 -0.087 -0.438 -3.153 170 HD2 LYS 25 HD2 LYS 25 0.429 -0.146 -5.472 171 HD3 LYS 25 HD3 LYS 25 -0.602 -1.561 -5.408 172 HE2 LYS 25 HE2 LYS 25 -2.561 0.227 -5.749 173 HE3 LYS 25 HE3 LYS 25 -1.267 1.225 -6.381 174 HZ1 LYS 25 HZ1 LYS 25 -2.314 -0.108 -8.084 175 HZ2 LYS 25 HZ2 LYS 25 -0.739 -0.512 -7.932 176 HZ3 LYS 25 HZ3 LYS 25 -1.896 -1.488 -7.319 177 H LYS 26 H LYS 26 -1.582 1.381 -0.511 178 HA LYS 26 HA LYS 26 -2.934 3.652 -1.789 179 HB2 LYS 26 HB2 LYS 26 -1.682 3.781 0.939 180 HB3 LYS 26 HB3 LYS 26 -2.970 4.755 0.260 181 HG2 LYS 26 HG2 LYS 26 -4.455 2.707 0.238 182 HG3 LYS 26 HG3 LYS 26 -3.171 1.801 1.015 183 HD2 LYS 26 HD2 LYS 26 -4.508 4.296 2.169 184 HD3 LYS 26 HD3 LYS 26 -4.854 2.649 2.660 185 HE2 LYS 26 HE2 LYS 26 -2.170 2.595 3.016 186 HE3 LYS 26 HE3 LYS 26 -2.408 4.321 3.203 187 HZ1 LYS 26 HZ1 LYS 26 -2.988 3.816 5.259 188 HZ2 LYS 26 HZ2 LYS 26 -4.394 3.230 4.669 189 HZ3 LYS 26 HZ3 LYS 26 -3.143 2.220 4.953 190 H TRP 27 H TRP 27 -1.714 5.442 -2.476 191 HA TRP 27 HA TRP 27 1.103 5.521 -1.978 192 HB2 TRP 27 HB2 TRP 27 1.906 5.179 -4.174 193 HB3 TRP 27 HB3 TRP 27 0.947 3.777 -3.739 194 HD1 TRP 27 HD1 TRP 27 1.051 6.624 -6.271 195 HE1 TRP 27 HE1 TRP 27 -0.799 6.352 -8.133 196 HE3 TRP 27 HE3 TRP 27 -1.440 2.826 -3.984 197 HZ2 TRP 27 HZ2 TRP 27 -3.046 4.618 -8.434 198 HZ3 TRP 27 HZ3 TRP 27 -3.451 1.900 -5.129 199 HH2 TRP 27 HH2 TRP 27 -4.262 2.735 -7.278 200 H TRP 28 H TRP 28 1.907 7.632 -2.442 201 HA TRP 28 HA TRP 28 0.352 9.457 -3.990 202 HB2 TRP 28 HB2 TRP 28 -0.264 10.990 -2.254 203 HB3 TRP 28 HB3 TRP 28 -1.000 9.429 -1.952 204 HD1 TRP 28 HD1 TRP 28 1.400 11.917 -0.372 205 HE1 TRP 28 HE1 TRP 28 2.141 11.177 2.050 206 HE3 TRP 28 HE3 TRP 28 -0.555 7.231 -0.638 207 HZ2 TRP 28 HZ2 TRP 28 1.833 8.768 3.549 208 HZ3 TRP 28 HZ3 TRP 28 -0.292 5.749 1.349 209 HH2 TRP 28 HH2 TRP 28 0.854 6.450 3.391 210 H SER 29 H SER 29 1.462 11.753 -3.720 211 HA SER 29 HA SER 29 4.307 11.188 -3.563 212 HB2 SER 29 HB2 SER 29 3.493 12.073 -5.717 213 HB3 SER 29 HB3 SER 29 2.778 13.456 -4.913 214 HG SER 29 HG SER 29 4.689 14.433 -4.835 215 H ASP 30 H ASP 30 5.739 12.804 -2.514 216 HA ASP 30 HA ASP 30 4.364 14.673 -0.800 217 HB2 ASP 30 HB2 ASP 30 4.683 12.494 0.474 218 HB3 ASP 30 HB3 ASP 30 6.413 12.667 0.253 219 H HIS 31 H HIS 31 6.138 16.110 0.356 220 HA HIS 31 HA HIS 31 7.921 17.006 -1.621 221 HB2 HIS 31 HB2 HIS 31 8.765 18.453 0.321 222 HB3 HIS 31 HB3 HIS 31 7.109 18.661 -0.211 223 HD1 HIS 31 HD1 HIS 31 9.156 17.752 2.742 224 HD2 HIS 31 HD2 HIS 31 5.130 17.512 1.586 225 HE1 HIS 31 HE1 HIS 31 7.825 17.312 4.874 226 HE2 HIS 31 HE2 HIS 31 5.354 17.229 4.108 227 H ARG 32 H ARG 32 8.055 14.357 0.519 228 HA ARG 32 HA ARG 32 10.948 14.489 0.625 229 HB2 ARG 32 HB2 ARG 32 8.956 12.657 2.054 230 HB3 ARG 32 HB3 ARG 32 10.694 12.538 2.238 231 HG2 ARG 32 HG2 ARG 32 10.655 15.027 2.941 232 HG3 ARG 32 HG3 ARG 32 8.911 14.882 3.024 233 HD2 ARG 32 HD2 ARG 32 9.487 12.730 4.522 234 HD3 ARG 32 HD3 ARG 32 11.008 13.568 4.759 235 HE ARG 32 HE ARG 32 8.923 15.461 5.171 236 HH11 ARG 32 HH22 ARG 32 10.183 12.536 6.667 237 HH12 ARG 32 HH21 ARG 32 9.666 12.974 8.260 238 HH21 ARG 32 HH12 ARG 32 8.241 16.041 7.274 239 HH22 ARG 32 HH11 ARG 32 8.553 14.982 8.608 240 H GLY 33 H GLY 33 8.184 12.803 -0.802 241 HA2 GLY 33 HA2 GLY 33 9.327 11.730 -2.961 242 HA3 GLY 33 HA3 GLY 33 9.774 10.557 -1.738 243 H THR 34 H THR 34 8.330 9.284 -3.425 244 HA THR 34 HA THR 34 5.492 9.682 -3.026 245 HB THR 34 HB THR 34 7.259 7.817 -4.674 246 HG1 THR 34 HG1 THR 34 6.850 9.582 -5.945 247 HG21 THR 34 HG21 THR 34 5.504 6.384 -4.956 248 HG22 THR 34 HG22 THR 34 4.529 7.326 -3.803 249 HG23 THR 34 HG23 THR 34 4.519 7.751 -5.531 250 H ILE 35 H ILE 35 4.483 9.020 -1.244 251 HA ILE 35 HA ILE 35 5.666 6.849 0.271 252 HB ILE 35 HB ILE 35 3.336 8.682 0.847 253 HG12 ILE 35 HG12 ILE 35 6.256 8.761 1.615 254 HG13 ILE 35 HG13 ILE 35 5.305 9.997 0.817 255 HG21 ILE 35 HG21 ILE 35 3.023 6.599 2.017 256 HG22 ILE 35 HG22 ILE 35 4.708 6.618 2.589 257 HG23 ILE 35 HG23 ILE 35 3.556 7.844 3.172 258 HD11 ILE 35 HD11 ILE 35 3.868 10.141 2.919 259 HD12 ILE 35 HD12 ILE 35 5.044 9.062 3.707 260 HD13 ILE 35 HD13 ILE 35 5.556 10.666 3.129 261 H ILE 36 H ILE 36 4.895 4.782 0.350 262 HA ILE 36 HA ILE 36 2.316 4.316 -0.972 263 HB ILE 36 HB ILE 36 4.717 2.512 -1.220 264 HG12 ILE 36 HG12 ILE 36 3.747 4.625 -3.168 265 HG13 ILE 36 HG13 ILE 36 5.245 4.668 -2.258 266 HG21 ILE 36 HG21 ILE 36 2.028 2.027 -1.651 267 HG22 ILE 36 HG22 ILE 36 2.646 2.407 -3.276 268 HG23 ILE 36 HG23 ILE 36 3.391 1.101 -2.324 269 HD11 ILE 36 HD11 ILE 36 5.738 3.850 -4.498 270 HD12 ILE 36 HD12 ILE 36 5.922 2.491 -3.364 271 HD13 ILE 36 HD13 ILE 36 4.462 2.615 -4.375 272 H GLU 37 H GLU 37 0.873 3.349 0.348 273 HA GLU 37 HA GLU 37 1.988 1.694 2.470 274 HB2 GLU 37 HB2 GLU 37 1.283 3.906 3.386 275 HB3 GLU 37 HB3 GLU 37 -0.332 3.654 2.754 276 HG2 GLU 37 HG2 GLU 37 -0.611 1.642 4.177 277 HG3 GLU 37 HG3 GLU 37 1.035 1.797 4.758 278 H ARG 38 H ARG 38 1.308 -0.378 2.162 279 HA ARG 38 HA ARG 38 -1.398 -0.681 1.131 280 HB2 ARG 38 HB2 ARG 38 0.821 -2.699 0.602 281 HB3 ARG 38 HB3 ARG 38 -0.707 -2.532 -0.240 282 HG2 ARG 38 HG2 ARG 38 0.019 -0.356 -1.188 283 HG3 ARG 38 HG3 ARG 38 1.521 -0.442 -0.290 284 HD2 ARG 38 HD2 ARG 38 2.053 -2.614 -1.511 285 HD3 ARG 38 HD3 ARG 38 0.618 -2.367 -2.485 286 HE ARG 38 HE ARG 38 1.878 0.012 -2.856 287 HH11 ARG 38 HH22 ARG 38 3.124 -3.278 -2.957 288 HH12 ARG 38 HH21 ARG 38 4.369 -2.907 -4.103 289 HH21 ARG 38 HH12 ARG 38 3.521 0.501 -4.367 290 HH22 ARG 38 HH11 ARG 38 4.596 -0.743 -4.910 291 H GLY 39 H GLY 39 -2.392 -2.878 1.744 292 HA2 GLY 39 HA2 GLY 39 -1.236 -4.485 3.759 293 HA3 GLY 39 HA3 GLY 39 -2.285 -3.291 4.498 294 H CYS 40 H CYS 40 -3.374 -5.505 5.074 295 HA CYS 40 HA CYS 40 -4.875 -6.647 2.908 296 HB2 CYS 40 HB2 CYS 40 -4.556 -7.246 5.830 297 HB3 CYS 40 HB3 CYS 40 -5.911 -7.922 4.948 298 H GLY 41 H GLY 41 -7.252 -6.625 2.837 299 HA2 GLY 41 HA2 GLY 41 -9.339 -5.866 3.532 300 HA3 GLY 41 HA3 GLY 41 -8.582 -4.669 4.563 301 H CYS 42 H CYS 42 -10.241 -3.219 3.475 302 HA CYS 42 HA CYS 42 -8.959 -1.988 1.186 303 HB2 CYS 42 HB2 CYS 42 -10.512 -3.431 0.088 304 HB3 CYS 42 HB3 CYS 42 -11.809 -2.982 1.178 305 HA PRO 43 HA PRO 43 -10.374 0.802 4.621 306 HB2 PRO 43 HB2 PRO 43 -8.024 2.200 4.676 307 HB3 PRO 43 HB3 PRO 43 -8.233 0.631 5.541 308 HG2 PRO 43 HG2 PRO 43 -7.017 1.179 2.852 309 HG3 PRO 43 HG3 PRO 43 -6.388 0.173 4.210 310 HD2 PRO 43 HD2 PRO 43 -7.662 -0.900 2.100 311 HD3 PRO 43 HD3 PRO 43 -7.855 -1.546 3.773 312 H LYS 44 H LYS 44 -10.033 3.394 4.606 313 HA LYS 44 HA LYS 44 -10.503 4.220 1.825 314 HB2 LYS 44 HB2 LYS 44 -12.150 5.736 2.561 315 HB3 LYS 44 HB3 LYS 44 -12.496 4.230 3.387 316 HG2 LYS 44 HG2 LYS 44 -12.613 5.672 5.200 317 HG3 LYS 44 HG3 LYS 44 -10.908 5.274 5.276 318 HD2 LYS 44 HD2 LYS 44 -10.235 7.342 4.360 319 HD3 LYS 44 HD3 LYS 44 -11.771 7.608 3.559 320 HE2 LYS 44 HE2 LYS 44 -11.981 9.093 5.347 321 HE3 LYS 44 HE3 LYS 44 -12.733 7.671 6.042 322 HZ1 LYS 44 HZ1 LYS 44 -11.199 7.755 7.597 323 HZ2 LYS 44 HZ2 LYS 44 -10.034 7.436 6.498 324 HZ3 LYS 44 HZ3 LYS 44 -10.410 8.983 6.865 325 H VAL 45 H VAL 45 -9.458 6.073 1.062 326 HA VAL 45 HA VAL 45 -7.426 7.128 2.906 327 HB VAL 45 HB VAL 45 -6.027 7.488 0.981 328 HG11 VAL 45 HG11 VAL 45 -5.350 5.294 0.647 329 HG12 VAL 45 HG12 VAL 45 -6.311 5.157 2.139 330 HG13 VAL 45 HG13 VAL 45 -7.017 4.675 0.578 331 HG21 VAL 45 HG21 VAL 45 -7.357 8.032 -0.833 332 HG22 VAL 45 HG22 VAL 45 -6.874 6.368 -1.240 333 HG23 VAL 45 HG23 VAL 45 -8.484 6.683 -0.551 334 H LYS 46 H LYS 46 -6.789 9.448 2.428 335 HA LYS 46 HA LYS 46 -9.228 10.962 2.100 336 HB2 LYS 46 HB2 LYS 46 -6.509 12.116 2.692 337 HB3 LYS 46 HB3 LYS 46 -8.089 12.732 3.134 338 HG2 LYS 46 HG2 LYS 46 -8.386 10.607 4.564 339 HG3 LYS 46 HG3 LYS 46 -6.691 10.271 4.271 340 HD2 LYS 46 HD2 LYS 46 -7.762 12.840 5.534 341 HD3 LYS 46 HD3 LYS 46 -7.085 11.495 6.431 342 HE2 LYS 46 HE2 LYS 46 -4.917 11.775 5.188 343 HE3 LYS 46 HE3 LYS 46 -5.597 13.141 4.328 344 HZ1 LYS 46 HZ1 LYS 46 -5.355 12.988 7.252 345 HZ2 LYS 46 HZ2 LYS 46 -4.316 13.782 6.274 346 HZ3 LYS 46 HZ3 LYS 46 -5.866 14.280 6.394 347 HA PRO 47 HA PRO 47 -8.788 12.666 -1.863 348 HB2 PRO 47 HB2 PRO 47 -8.258 15.339 -0.618 349 HB3 PRO 47 HB3 PRO 47 -9.515 14.854 -1.817 350 HG2 PRO 47 HG2 PRO 47 -10.159 15.257 0.717 351 HG3 PRO 47 HG3 PRO 47 -10.827 13.846 -0.186 352 HD2 PRO 47 HD2 PRO 47 -8.559 13.962 1.779 353 HD3 PRO 47 HD3 PRO 47 -9.904 12.768 1.647 354 H GLY 48 H GLY 48 -7.040 12.723 -3.330 355 HA2 GLY 48 HA2 GLY 48 -5.027 13.682 -4.096 356 HA3 GLY 48 HA3 GLY 48 -4.535 13.986 -2.442 357 H VAL 49 H VAL 49 -5.342 11.340 -1.385 358 HA VAL 49 HA VAL 49 -2.982 9.916 -2.208 359 HB VAL 49 HB VAL 49 -5.072 8.945 -0.278 360 HG11 VAL 49 HG11 VAL 49 -2.053 8.660 -0.440 361 HG12 VAL 49 HG12 VAL 49 -3.066 8.033 0.883 362 HG13 VAL 49 HG13 VAL 49 -3.269 7.403 -0.769 363 HG21 VAL 49 HG21 VAL 49 -3.508 11.412 -0.079 364 HG22 VAL 49 HG22 VAL 49 -4.873 10.837 0.908 365 HG23 VAL 49 HG23 VAL 49 -3.217 10.298 1.279 366 H ASN 50 H ASN 50 -2.936 7.801 -3.134 367 HA ASN 50 HA ASN 50 -5.326 7.292 -4.689 368 HB2 ASN 50 HB2 ASN 50 -2.400 6.485 -4.951 369 HB3 ASN 50 HB3 ASN 50 -3.632 5.619 -5.847 370 HD21 ASN 50 HD21 ASN 50 -1.761 8.469 -5.560 371 HD22 ASN 50 HD22 ASN 50 -2.341 9.326 -6.949 372 H LEU 51 H LEU 51 -6.312 5.152 -4.660 373 HA LEU 51 HA LEU 51 -5.158 3.192 -2.855 374 HB2 LEU 51 HB2 LEU 51 -6.487 4.410 -1.326 375 HB3 LEU 51 HB3 LEU 51 -7.829 4.519 -2.448 376 HG LEU 51 HG LEU 51 -8.312 2.161 -2.210 377 HD11 LEU 51 HD11 LEU 51 -6.680 0.723 -1.771 378 HD12 LEU 51 HD12 LEU 51 -5.594 2.031 -1.245 379 HD13 LEU 51 HD13 LEU 51 -6.709 1.277 -0.080 380 HD21 LEU 51 HD21 LEU 51 -7.994 2.720 0.652 381 HD22 LEU 51 HD22 LEU 51 -8.706 4.066 -0.270 382 HD23 LEU 51 HD23 LEU 51 -9.464 2.456 -0.317 383 H ASN 52 H ASN 52 -5.622 1.074 -3.463 384 HA ASN 52 HA ASN 52 -7.546 0.796 -5.617 385 HB2 ASN 52 HB2 ASN 52 -5.496 0.834 -6.862 386 HB3 ASN 52 HB3 ASN 52 -4.619 -0.039 -5.621 387 HD21 ASN 52 HD21 ASN 52 -7.816 -0.702 -7.003 388 HD22 ASN 52 HD22 ASN 52 -7.454 -2.256 -7.679 389 H CYS 53 H CYS 53 -8.955 -0.859 -5.018 390 HA CYS 53 HA CYS 53 -7.920 -2.826 -3.111 391 HB2 CYS 53 HB2 CYS 53 -10.783 -1.960 -3.571 392 HB3 CYS 53 HB3 CYS 53 -10.246 -3.162 -2.415 393 H CYS 54 H CYS 54 -8.388 -5.077 -3.537 394 HA CYS 54 HA CYS 54 -9.820 -5.721 -5.944 395 HB2 CYS 54 HB2 CYS 54 -7.784 -7.176 -6.669 396 HB3 CYS 54 HB3 CYS 54 -7.904 -5.496 -7.154 397 H ARG 55 H ARG 55 -9.962 -8.215 -6.117 398 HA ARG 55 HA ARG 55 -9.853 -9.274 -3.409 399 HB2 ARG 55 HB2 ARG 55 -11.678 -10.010 -5.752 400 HB3 ARG 55 HB3 ARG 55 -11.665 -10.868 -4.224 401 HG2 ARG 55 HG2 ARG 55 -12.664 -9.111 -3.058 402 HG3 ARG 55 HG3 ARG 55 -11.974 -7.880 -4.096 403 HD2 ARG 55 HD2 ARG 55 -13.549 -9.002 -5.949 404 HD3 ARG 55 HD3 ARG 55 -14.432 -9.584 -4.552 405 HE ARG 55 HE ARG 55 -15.159 -7.397 -4.117 406 HH11 ARG 55 HH22 ARG 55 -12.470 -7.303 -6.385 407 HH12 ARG 55 HH21 ARG 55 -12.642 -5.611 -6.716 408 HH21 ARG 55 HH12 ARG 55 -15.386 -5.165 -4.554 409 HH22 ARG 55 HH11 ARG 55 -14.312 -4.387 -5.667 410 H THR 56 H THR 56 -7.466 -9.359 -4.819 411 HA THR 56 HA THR 56 -7.275 -12.213 -5.479 412 HB THR 56 HB THR 56 -5.517 -11.268 -7.248 413 HG1 THR 56 HG1 THR 56 -7.380 -9.175 -7.558 414 HG21 THR 56 HG21 THR 56 -7.348 -10.956 -8.952 415 HG22 THR 56 HG22 THR 56 -7.580 -12.434 -7.988 416 HG23 THR 56 HG23 THR 56 -8.544 -10.980 -7.633 417 H ASP 57 H ASP 57 -5.372 -13.244 -4.852 418 HA ASP 57 HA ASP 57 -4.210 -12.221 -2.580 419 HB2 ASP 57 HB2 ASP 57 -3.113 -14.306 -4.526 420 HB3 ASP 57 HB3 ASP 57 -2.537 -14.073 -2.887 421 H ARG 58 H ARG 58 -2.180 -11.139 -2.222 422 HA ARG 58 HA ARG 58 -0.713 -9.600 -2.724 423 HB2 ARG 58 HB2 ARG 58 0.296 -11.468 -4.906 424 HB3 ARG 58 HB3 ARG 58 1.242 -10.455 -3.833 425 HG2 ARG 58 HG2 ARG 58 0.178 -11.914 -1.906 426 HG3 ARG 58 HG3 ARG 58 -0.204 -13.045 -3.189 427 HD2 ARG 58 HD2 ARG 58 2.098 -13.407 -3.728 428 HD3 ARG 58 HD3 ARG 58 2.617 -11.947 -2.910 429 HE ARG 58 HE ARG 58 1.428 -13.497 -0.904 430 HH11 ARG 58 HH22 ARG 58 4.081 -13.917 -3.178 431 HH12 ARG 58 HH21 ARG 58 4.968 -14.986 -2.142 432 HH21 ARG 58 HH12 ARG 58 2.598 -14.907 0.462 433 HH22 ARG 58 HH11 ARG 58 4.119 -15.553 -0.058 434 H CYS 59 H CYS 59 -3.165 -9.125 -4.138 435 HA CYS 59 HA CYS 59 -2.446 -8.509 -6.857 436 HB2 CYS 59 HB2 CYS 59 -4.724 -7.911 -7.171 437 HB3 CYS 59 HB3 CYS 59 -4.673 -9.412 -6.268 438 H ASN 60 H ASN 60 -2.470 -7.061 -3.669 439 HA ASN 60 HA ASN 60 -2.488 -4.395 -4.770 440 HB2 ASN 60 HB2 ASN 60 -2.489 -3.670 -2.390 441 HB3 ASN 60 HB3 ASN 60 -3.752 -4.854 -2.664 442 HD21 ASN 60 HD21 ASN 60 -2.146 -4.031 -0.276 443 HD22 ASN 60 HD22 ASN 60 -1.507 -5.493 0.398 444 H ASN 61 H ASN 61 -0.295 -5.824 -5.720 445 HA ASN 61 HA ASN 61 1.901 -5.650 -3.954 446 HB2 ASN 61 HB2 ASN 61 1.764 -7.303 -5.842 447 HB3 ASN 61 HB3 ASN 61 1.803 -5.987 -6.999 448 HD21 ASN 61 HD21 ASN 61 3.580 -6.640 -3.981 449 HD22 ASN 61 HD22 ASN 61 5.178 -6.540 -4.641 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 -6.406 -16.136 1.630 2 H2 LEU 1 H2 LEU 1 -7.031 -14.951 2.605 3 H3 LEU 1 H3 LEU 1 -5.444 -15.400 2.759 4 HA LEU 1 HA LEU 1 -5.497 -14.782 0.229 5 HB2 LEU 1 HB2 LEU 1 -7.749 -14.045 0.209 6 HB3 LEU 1 HB3 LEU 1 -7.526 -13.065 1.645 7 HG LEU 1 HG LEU 1 -5.798 -11.754 0.179 8 HD11 LEU 1 HD11 LEU 1 -5.673 -13.188 -1.722 9 HD12 LEU 1 HD12 LEU 1 -7.442 -13.183 -1.923 10 HD13 LEU 1 HD13 LEU 1 -6.508 -11.699 -2.228 11 HD21 LEU 1 HD21 LEU 1 -7.810 -10.443 -0.823 12 HD22 LEU 1 HD22 LEU 1 -8.797 -11.587 0.117 13 HD23 LEU 1 HD23 LEU 1 -7.614 -10.544 0.943 14 H GLU 2 H GLU 2 -3.699 -13.514 -0.155 15 HA GLU 2 HA GLU 2 -2.591 -12.289 2.248 16 HB2 GLU 2 HB2 GLU 2 -1.026 -13.184 -0.204 17 HB3 GLU 2 HB3 GLU 2 -0.382 -12.741 1.364 18 HG2 GLU 2 HG2 GLU 2 -1.833 -14.706 2.302 19 HG3 GLU 2 HG3 GLU 2 -1.984 -15.221 0.634 20 H CYS 3 H CYS 3 -1.627 -10.178 2.091 21 HA CYS 3 HA CYS 3 -2.041 -8.831 -0.461 22 HB2 CYS 3 HB2 CYS 3 -2.855 -7.549 2.144 23 HB3 CYS 3 HB3 CYS 3 -3.120 -6.958 0.516 24 H HIS 4 H HIS 4 -0.369 -7.350 -0.921 25 HA HIS 4 HA HIS 4 2.002 -7.641 0.519 26 HB2 HIS 4 HB2 HIS 4 1.048 -5.886 -1.715 27 HB3 HIS 4 HB3 HIS 4 2.567 -5.498 -0.932 28 HD1 HIS 4 HD1 HIS 4 4.565 -7.156 -1.261 29 HD2 HIS 4 HD2 HIS 4 1.056 -8.241 -3.289 30 HE1 HIS 4 HE1 HIS 4 5.229 -8.985 -2.912 31 HE2 HIS 4 HE2 HIS 4 3.023 -9.650 -4.089 32 H ASN 5 H ASN 5 3.056 -6.336 2.042 33 HA ASN 5 HA ASN 5 1.384 -4.186 3.084 34 HB2 ASN 5 HB2 ASN 5 2.025 -4.774 5.317 35 HB3 ASN 5 HB3 ASN 5 1.710 -6.317 4.546 36 HD21 ASN 5 HD21 ASN 5 3.136 -7.812 4.937 37 HD22 ASN 5 HD22 ASN 5 4.831 -7.606 5.229 38 H GLN 6 H GLN 6 3.933 -4.678 1.163 39 HA GLN 6 HA GLN 6 6.061 -3.432 2.472 40 HB2 GLN 6 HB2 GLN 6 6.797 -3.056 -0.036 41 HB3 GLN 6 HB3 GLN 6 6.737 -4.679 0.623 42 HG2 GLN 6 HG2 GLN 6 4.835 -5.263 -0.592 43 HG3 GLN 6 HG3 GLN 6 4.201 -3.629 -0.601 44 HE21 GLN 6 HE21 GLN 6 5.296 -5.944 -2.529 45 HE22 GLN 6 HE22 GLN 6 6.021 -5.046 -3.820 46 H GLN 7 H GLN 7 6.801 -1.264 2.452 47 HA GLN 7 HA GLN 7 4.751 0.613 1.585 48 HB2 GLN 7 HB2 GLN 7 6.983 0.962 3.636 49 HB3 GLN 7 HB3 GLN 7 5.806 2.190 3.216 50 HG2 GLN 7 HG2 GLN 7 4.772 1.254 5.085 51 HG3 GLN 7 HG3 GLN 7 4.032 0.301 3.814 52 HE21 GLN 7 HE21 GLN 7 3.762 -1.034 5.851 53 HE22 GLN 7 HE22 GLN 7 4.960 -2.243 6.174 54 H SER 8 H SER 8 5.513 2.717 0.649 55 HA SER 8 HA SER 8 6.482 3.584 -1.136 56 HB2 SER 8 HB2 SER 8 9.035 3.184 0.473 57 HB3 SER 8 HB3 SER 8 8.675 4.491 -0.637 58 HG SER 8 HG SER 8 7.701 5.552 0.942 59 H SER 9 H SER 9 9.656 2.892 -1.331 60 HA SER 9 HA SER 9 9.173 0.871 -3.326 61 HB2 SER 9 HB2 SER 9 11.557 2.632 -2.646 62 HB3 SER 9 HB3 SER 9 11.676 1.333 -3.817 63 HG SER 9 HG SER 9 10.435 3.838 -4.037 64 H GLN 10 H GLN 10 9.728 0.892 -0.051 65 HA GLN 10 HA GLN 10 11.863 -0.618 0.497 66 HB2 GLN 10 HB2 GLN 10 9.123 -1.105 1.737 67 HB3 GLN 10 HB3 GLN 10 10.681 -1.375 2.492 68 HG2 GLN 10 HG2 GLN 10 9.399 1.286 1.760 69 HG3 GLN 10 HG3 GLN 10 9.882 0.727 3.349 70 HE21 GLN 10 HE21 GLN 10 10.785 2.353 0.508 71 HE22 GLN 10 HE22 GLN 10 12.451 2.662 0.867 72 HA PRO 11 HA PRO 11 11.683 -4.733 -0.936 73 HB2 PRO 11 HB2 PRO 11 11.386 -5.660 1.898 74 HB3 PRO 11 HB3 PRO 11 12.616 -6.112 0.660 75 HG2 PRO 11 HG2 PRO 11 13.239 -4.468 2.636 76 HG3 PRO 11 HG3 PRO 11 13.789 -4.128 0.952 77 HD2 PRO 11 HD2 PRO 11 11.498 -2.946 2.495 78 HD3 PRO 11 HD3 PRO 11 12.725 -2.130 1.455 79 HA PRO 12 HA PRO 12 7.290 -5.498 -1.246 80 HB2 PRO 12 HB2 PRO 12 8.378 -7.991 -2.502 81 HB3 PRO 12 HB3 PRO 12 7.166 -6.815 -3.135 82 HG2 PRO 12 HG2 PRO 12 9.642 -6.828 -4.066 83 HG3 PRO 12 HG3 PRO 12 8.809 -5.271 -3.698 84 HD2 PRO 12 HD2 PRO 12 10.846 -6.780 -2.088 85 HD3 PRO 12 HD3 PRO 12 10.741 -5.015 -2.444 86 H THR 13 H THR 13 6.018 -6.387 0.409 87 HA THR 13 HA THR 13 6.832 -9.000 1.475 88 HB THR 13 HB THR 13 6.045 -7.914 3.752 89 HG1 THR 13 HG1 THR 13 6.702 -5.515 3.482 90 HG21 THR 13 HG21 THR 13 8.308 -6.802 4.085 91 HG22 THR 13 HG22 THR 13 8.425 -8.460 3.449 92 HG23 THR 13 HG23 THR 13 8.638 -7.071 2.357 93 H THR 14 H THR 14 4.936 -9.817 2.998 94 HA THR 14 HA THR 14 2.350 -9.024 1.926 95 HB THR 14 HB THR 14 1.977 -11.607 1.527 96 HG1 THR 14 HG1 THR 14 4.159 -12.010 2.525 97 HG21 THR 14 HG21 THR 14 3.796 -9.916 -0.264 98 HG22 THR 14 HG22 THR 14 3.122 -11.489 -0.752 99 HG23 THR 14 HG23 THR 14 2.035 -10.118 -0.422 100 H LYS 15 H LYS 15 0.538 -9.886 3.171 101 HA LYS 15 HA LYS 15 1.262 -11.096 5.702 102 HB2 LYS 15 HB2 LYS 15 0.425 -8.254 5.396 103 HB3 LYS 15 HB3 LYS 15 -0.324 -9.159 6.696 104 HG2 LYS 15 HG2 LYS 15 1.820 -9.710 7.681 105 HG3 LYS 15 HG3 LYS 15 2.692 -9.165 6.262 106 HD2 LYS 15 HD2 LYS 15 1.666 -6.824 6.717 107 HD3 LYS 15 HD3 LYS 15 1.178 -7.455 8.278 108 HE2 LYS 15 HE2 LYS 15 3.386 -7.655 9.052 109 HE3 LYS 15 HE3 LYS 15 4.051 -7.846 7.442 110 HZ1 LYS 15 HZ1 LYS 15 3.783 -5.511 8.908 111 HZ2 LYS 15 HZ2 LYS 15 4.434 -5.695 7.422 112 HZ3 LYS 15 HZ3 LYS 15 2.845 -5.356 7.581 113 H THR 16 H THR 16 -0.541 -12.127 6.741 114 HA THR 16 HA THR 16 -2.560 -12.912 4.851 115 HB THR 16 HB THR 16 -2.408 -13.647 7.803 116 HG1 THR 16 HG1 THR 16 -0.670 -15.039 7.155 117 HG21 THR 16 HG21 THR 16 -2.705 -15.964 6.430 118 HG22 THR 16 HG22 THR 16 -4.107 -14.969 6.890 119 HG23 THR 16 HG23 THR 16 -3.440 -14.860 5.243 120 H CYS 17 H CYS 17 -4.566 -12.141 4.593 121 HA CYS 17 HA CYS 17 -5.312 -9.893 6.199 122 HB2 CYS 17 HB2 CYS 17 -7.062 -11.201 4.132 123 HB3 CYS 17 HB3 CYS 17 -7.036 -9.528 4.655 124 H SER 18 H SER 18 -6.510 -10.044 8.067 125 HA SER 18 HA SER 18 -7.807 -12.599 8.546 126 HB2 SER 18 HB2 SER 18 -7.928 -11.552 10.964 127 HB3 SER 18 HB3 SER 18 -6.415 -12.213 10.376 128 HG SER 18 HG SER 18 -5.999 -10.158 11.274 129 H GLY 19 H GLY 19 -9.998 -12.677 8.222 130 HA2 GLY 19 HA2 GLY 19 -12.176 -12.068 8.410 131 HA3 GLY 19 HA3 GLY 19 -11.701 -10.579 9.202 132 H GLU 20 H GLU 20 -9.698 -10.423 6.657 133 HA GLU 20 HA GLU 20 -11.693 -9.018 5.075 134 HB2 GLU 20 HB2 GLU 20 -8.686 -8.711 4.797 135 HB3 GLU 20 HB3 GLU 20 -9.939 -7.590 4.303 136 HG2 GLU 20 HG2 GLU 20 -10.456 -6.998 6.586 137 HG3 GLU 20 HG3 GLU 20 -9.550 -8.355 7.225 138 H THR 21 H THR 21 -11.482 -9.116 2.663 139 HA THR 21 HA THR 21 -10.093 -11.521 1.725 140 HB THR 21 HB THR 21 -12.291 -11.923 0.362 141 HG1 THR 21 HG1 THR 21 -13.613 -10.736 2.573 142 HG21 THR 21 HG21 THR 21 -12.264 -12.223 3.410 143 HG22 THR 21 HG22 THR 21 -13.477 -12.976 2.347 144 HG23 THR 21 HG23 THR 21 -11.766 -13.451 2.222 145 H ASN 22 H ASN 22 -9.902 -8.398 1.641 146 HA ASN 22 HA ASN 22 -9.517 -8.386 -1.241 147 HB2 ASN 22 HB2 ASN 22 -10.672 -6.102 0.446 148 HB3 ASN 22 HB3 ASN 22 -10.239 -5.958 -1.246 149 HD21 ASN 22 HD21 ASN 22 -12.368 -7.489 1.076 150 HD22 ASN 22 HD22 ASN 22 -13.636 -7.941 -0.014 151 H CYS 23 H CYS 23 -7.780 -6.799 -1.902 152 HA CYS 23 HA CYS 23 -6.020 -6.178 0.359 153 HB2 CYS 23 HB2 CYS 23 -5.188 -6.821 -2.477 154 HB3 CYS 23 HB3 CYS 23 -4.125 -6.479 -1.127 155 H TYR 24 H TYR 24 -5.217 -4.044 0.455 156 HA TYR 24 HA TYR 24 -6.198 -2.258 -1.670 157 HB2 TYR 24 HB2 TYR 24 -6.626 -0.692 0.126 158 HB3 TYR 24 HB3 TYR 24 -7.123 -2.228 0.806 159 HD1 TYR 24 HD2 TYR 24 -4.531 0.393 0.859 160 HD2 TYR 24 HD1 TYR 24 -5.871 -3.274 2.609 161 HE1 TYR 24 HE2 TYR 24 -2.928 0.727 2.803 162 HE2 TYR 24 HE1 TYR 24 -4.263 -2.928 4.548 163 HH TYR 24 HH TYR 24 -2.229 -0.016 4.705 164 H LYS 25 H LYS 25 -4.845 -0.413 -2.210 165 HA LYS 25 HA LYS 25 -2.114 -0.560 -1.206 166 HB2 LYS 25 HB2 LYS 25 -1.924 -1.944 -3.123 167 HB3 LYS 25 HB3 LYS 25 -2.929 -0.890 -4.096 168 HG2 LYS 25 HG2 LYS 25 -1.182 0.925 -3.868 169 HG3 LYS 25 HG3 LYS 25 -0.167 -0.200 -2.987 170 HD2 LYS 25 HD2 LYS 25 0.528 -0.178 -5.334 171 HD3 LYS 25 HD3 LYS 25 -0.170 -1.743 -4.964 172 HE2 LYS 25 HE2 LYS 25 -2.096 -1.352 -6.235 173 HE3 LYS 25 HE3 LYS 25 -2.033 0.384 -6.004 174 HZ1 LYS 25 HZ1 LYS 25 -0.607 -1.249 -7.918 175 HZ2 LYS 25 HZ2 LYS 25 -1.287 0.223 -8.110 176 HZ3 LYS 25 HZ3 LYS 25 0.158 0.082 -7.362 177 H LYS 26 H LYS 26 -1.612 1.427 -0.475 178 HA LYS 26 HA LYS 26 -2.965 3.685 -1.775 179 HB2 LYS 26 HB2 LYS 26 -1.717 3.924 0.932 180 HB3 LYS 26 HB3 LYS 26 -3.099 4.762 0.255 181 HG2 LYS 26 HG2 LYS 26 -4.485 2.737 0.427 182 HG3 LYS 26 HG3 LYS 26 -3.102 1.783 0.927 183 HD2 LYS 26 HD2 LYS 26 -3.057 2.701 3.076 184 HD3 LYS 26 HD3 LYS 26 -3.736 4.231 2.559 185 HE2 LYS 26 HE2 LYS 26 -5.876 2.670 2.015 186 HE3 LYS 26 HE3 LYS 26 -5.148 1.661 3.248 187 HZ1 LYS 26 HZ1 LYS 26 -5.898 3.050 4.759 188 HZ2 LYS 26 HZ2 LYS 26 -5.093 4.310 4.103 189 HZ3 LYS 26 HZ3 LYS 26 -6.612 3.966 3.611 190 H TRP 27 H TRP 27 -1.749 5.473 -2.471 191 HA TRP 27 HA TRP 27 1.069 5.555 -1.965 192 HB2 TRP 27 HB2 TRP 27 1.867 5.226 -4.166 193 HB3 TRP 27 HB3 TRP 27 0.916 3.820 -3.731 194 HD1 TRP 27 HD1 TRP 27 0.996 6.675 -6.255 195 HE1 TRP 27 HE1 TRP 27 -0.860 6.399 -8.111 196 HE3 TRP 27 HE3 TRP 27 -1.465 2.856 -3.971 197 HZ2 TRP 27 HZ2 TRP 27 -3.098 4.653 -8.409 198 HZ3 TRP 27 HZ3 TRP 27 -3.475 1.923 -5.112 199 HH2 TRP 27 HH2 TRP 27 -4.299 2.760 -7.255 200 H TRP 28 H TRP 28 1.879 7.666 -2.430 201 HA TRP 28 HA TRP 28 0.304 9.499 -3.956 202 HB2 TRP 28 HB2 TRP 28 -0.261 11.035 -2.199 203 HB3 TRP 28 HB3 TRP 28 -1.012 9.480 -1.900 204 HD1 TRP 28 HD1 TRP 28 1.451 11.922 -0.339 205 HE1 TRP 28 HE1 TRP 28 2.217 11.153 2.066 206 HE3 TRP 28 HE3 TRP 28 -0.583 7.270 -0.606 207 HZ2 TRP 28 HZ2 TRP 28 1.893 8.739 3.554 208 HZ3 TRP 28 HZ3 TRP 28 -0.313 5.769 1.366 209 HH2 TRP 28 HH2 TRP 28 0.875 6.437 3.395 210 H SER 29 H SER 29 1.428 11.790 -3.702 211 HA SER 29 HA SER 29 4.275 11.214 -3.585 212 HB2 SER 29 HB2 SER 29 4.566 13.172 -5.035 213 HB3 SER 29 HB3 SER 29 3.395 12.077 -5.741 214 HG SER 29 HG SER 29 2.806 14.422 -5.720 215 H ASP 30 H ASP 30 5.722 12.835 -2.569 216 HA ASP 30 HA ASP 30 4.372 14.740 -0.876 217 HB2 ASP 30 HB2 ASP 30 4.684 12.578 0.429 218 HB3 ASP 30 HB3 ASP 30 6.414 12.738 0.198 219 H HIS 31 H HIS 31 6.175 16.171 0.257 220 HA HIS 31 HA HIS 31 7.950 17.024 -1.749 221 HB2 HIS 31 HB2 HIS 31 6.866 18.473 -0.035 222 HB3 HIS 31 HB3 HIS 31 7.888 17.752 1.193 223 HD1 HIS 31 HD1 HIS 31 8.445 19.502 -2.188 224 HD2 HIS 31 HD2 HIS 31 10.117 19.245 1.651 225 HE1 HIS 31 HE1 HIS 31 10.422 21.115 -2.160 226 HE2 HIS 31 HE2 HIS 31 11.375 20.955 0.240 227 H ARG 32 H ARG 32 8.072 14.404 0.424 228 HA ARG 32 HA ARG 32 10.966 14.514 0.520 229 HB2 ARG 32 HB2 ARG 32 8.962 12.716 1.974 230 HB3 ARG 32 HB3 ARG 32 10.700 12.579 2.153 231 HG2 ARG 32 HG2 ARG 32 9.087 15.101 2.770 232 HG3 ARG 32 HG3 ARG 32 9.626 13.946 3.973 233 HD2 ARG 32 HD2 ARG 32 11.244 15.928 2.383 234 HD3 ARG 32 HD3 ARG 32 11.363 15.511 4.081 235 HE ARG 32 HE ARG 32 12.666 14.125 1.838 236 HH11 ARG 32 HH22 ARG 32 11.686 13.921 5.211 237 HH12 ARG 32 HH21 ARG 32 12.832 12.682 5.602 238 HH21 ARG 32 HH12 ARG 32 14.178 12.490 2.353 239 HH22 ARG 32 HH11 ARG 32 14.259 11.863 3.965 240 H GLY 33 H GLY 33 8.186 12.834 -0.883 241 HA2 GLY 33 HA2 GLY 33 9.315 11.730 -3.033 242 HA3 GLY 33 HA3 GLY 33 9.758 10.567 -1.799 243 H THR 34 H THR 34 8.299 9.288 -3.469 244 HA THR 34 HA THR 34 5.465 9.704 -3.039 245 HB THR 34 HB THR 34 7.187 7.828 -4.724 246 HG1 THR 34 HG1 THR 34 6.123 9.188 -6.343 247 HG21 THR 34 HG21 THR 34 4.626 7.656 -5.743 248 HG22 THR 34 HG22 THR 34 5.358 6.411 -4.702 249 HG23 THR 34 HG23 THR 34 4.294 7.650 -3.994 250 H ILE 35 H ILE 35 4.469 9.014 -1.260 251 HA ILE 35 HA ILE 35 5.671 6.824 0.213 252 HB ILE 35 HB ILE 35 3.367 8.671 0.844 253 HG12 ILE 35 HG12 ILE 35 6.291 8.687 1.604 254 HG13 ILE 35 HG13 ILE 35 5.366 9.948 0.815 255 HG21 ILE 35 HG21 ILE 35 3.599 7.788 3.155 256 HG22 ILE 35 HG22 ILE 35 3.023 6.579 1.983 257 HG23 ILE 35 HG23 ILE 35 4.715 6.549 2.534 258 HD11 ILE 35 HD11 ILE 35 5.619 10.599 3.129 259 HD12 ILE 35 HD12 ILE 35 3.925 10.093 2.920 260 HD13 ILE 35 HD13 ILE 35 5.092 8.997 3.698 261 H ILE 36 H ILE 36 4.869 4.763 0.315 262 HA ILE 36 HA ILE 36 2.268 4.324 -0.966 263 HB ILE 36 HB ILE 36 4.638 2.500 -1.325 264 HG12 ILE 36 HG12 ILE 36 3.695 4.707 -3.179 265 HG13 ILE 36 HG13 ILE 36 5.206 4.679 -2.292 266 HG21 ILE 36 HG21 ILE 36 2.528 2.529 -3.347 267 HG22 ILE 36 HG22 ILE 36 3.267 1.167 -2.472 268 HG23 ILE 36 HG23 ILE 36 1.938 2.087 -1.727 269 HD11 ILE 36 HD11 ILE 36 5.837 2.554 -3.490 270 HD12 ILE 36 HD12 ILE 36 4.344 2.697 -4.448 271 HD13 ILE 36 HD13 ILE 36 5.613 3.937 -4.588 272 H GLU 37 H GLU 37 0.867 3.320 0.371 273 HA GLU 37 HA GLU 37 2.056 1.654 2.447 274 HB2 GLU 37 HB2 GLU 37 -0.180 3.700 2.711 275 HB3 GLU 37 HB3 GLU 37 0.072 2.439 3.901 276 HG2 GLU 37 HG2 GLU 37 2.257 4.391 3.040 277 HG3 GLU 37 HG3 GLU 37 1.213 4.664 4.421 278 H ARG 38 H ARG 38 1.442 -0.436 2.124 279 HA ARG 38 HA ARG 38 -1.224 -0.814 1.013 280 HB2 ARG 38 HB2 ARG 38 1.173 -2.691 0.714 281 HB3 ARG 38 HB3 ARG 38 -0.385 -2.871 -0.068 282 HG2 ARG 38 HG2 ARG 38 0.097 -0.469 -1.051 283 HG3 ARG 38 HG3 ARG 38 1.760 -0.790 -0.601 284 HD2 ARG 38 HD2 ARG 38 1.371 -3.092 -1.879 285 HD3 ARG 38 HD3 ARG 38 0.038 -2.240 -2.631 286 HE ARG 38 HE ARG 38 1.601 -1.114 -3.936 287 HH11 ARG 38 HH22 ARG 38 3.158 -2.074 -0.930 288 HH12 ARG 38 HH21 ARG 38 4.708 -1.450 -1.385 289 HH21 ARG 38 HH12 ARG 38 3.646 -0.291 -4.537 290 HH22 ARG 38 HH11 ARG 38 4.988 -0.429 -3.450 291 H GLY 39 H GLY 39 -2.253 -2.976 1.675 292 HA2 GLY 39 HA2 GLY 39 -1.243 -4.493 3.822 293 HA3 GLY 39 HA3 GLY 39 -2.299 -3.247 4.458 294 H CYS 40 H CYS 40 -3.384 -5.506 5.044 295 HA CYS 40 HA CYS 40 -4.873 -6.615 2.848 296 HB2 CYS 40 HB2 CYS 40 -4.559 -7.272 5.757 297 HB3 CYS 40 HB3 CYS 40 -5.917 -7.925 4.863 298 H GLY 41 H GLY 41 -7.260 -6.611 2.801 299 HA2 GLY 41 HA2 GLY 41 -9.342 -5.856 3.517 300 HA3 GLY 41 HA3 GLY 41 -8.577 -4.659 4.544 301 H CYS 42 H CYS 42 -10.247 -3.210 3.473 302 HA CYS 42 HA CYS 42 -8.984 -1.967 1.181 303 HB2 CYS 42 HB2 CYS 42 -10.531 -3.426 0.087 304 HB3 CYS 42 HB3 CYS 42 -11.830 -2.975 1.173 305 HA PRO 43 HA PRO 43 -10.430 0.792 4.633 306 HB2 PRO 43 HB2 PRO 43 -8.083 2.193 4.721 307 HB3 PRO 43 HB3 PRO 43 -8.298 0.618 5.572 308 HG2 PRO 43 HG2 PRO 43 -7.057 1.187 2.899 309 HG3 PRO 43 HG3 PRO 43 -6.439 0.172 4.256 310 HD2 PRO 43 HD2 PRO 43 -7.691 -0.887 2.126 311 HD3 PRO 43 HD3 PRO 43 -7.899 -1.545 3.792 312 H LYS 44 H LYS 44 -10.098 3.384 4.641 313 HA LYS 44 HA LYS 44 -10.538 4.230 1.861 314 HB2 LYS 44 HB2 LYS 44 -12.608 4.311 3.098 315 HB3 LYS 44 HB3 LYS 44 -11.852 5.175 4.422 316 HG2 LYS 44 HG2 LYS 44 -12.849 6.935 3.237 317 HG3 LYS 44 HG3 LYS 44 -11.223 6.963 2.585 318 HD2 LYS 44 HD2 LYS 44 -12.496 7.009 0.619 319 HD3 LYS 44 HD3 LYS 44 -12.181 5.292 0.775 320 HE2 LYS 44 HE2 LYS 44 -14.647 6.417 2.111 321 HE3 LYS 44 HE3 LYS 44 -14.666 6.220 0.370 322 HZ1 LYS 44 HZ1 LYS 44 -14.456 4.187 2.427 323 HZ2 LYS 44 HZ2 LYS 44 -15.348 4.190 1.060 324 HZ3 LYS 44 HZ3 LYS 44 -13.744 3.893 0.987 325 H VAL 45 H VAL 45 -9.482 6.084 1.123 326 HA VAL 45 HA VAL 45 -7.485 7.140 3.003 327 HB VAL 45 HB VAL 45 -6.061 7.519 1.093 328 HG11 VAL 45 HG11 VAL 45 -7.191 4.709 1.253 329 HG12 VAL 45 HG12 VAL 45 -5.707 5.132 0.367 330 HG13 VAL 45 HG13 VAL 45 -5.792 5.375 2.128 331 HG21 VAL 45 HG21 VAL 45 -8.472 6.628 -0.476 332 HG22 VAL 45 HG22 VAL 45 -7.416 8.039 -0.725 333 HG23 VAL 45 HG23 VAL 45 -6.834 6.409 -1.138 334 H LYS 46 H LYS 46 -6.831 9.464 2.502 335 HA LYS 46 HA LYS 46 -9.271 10.976 2.175 336 HB2 LYS 46 HB2 LYS 46 -6.548 12.130 2.748 337 HB3 LYS 46 HB3 LYS 46 -8.125 12.754 3.189 338 HG2 LYS 46 HG2 LYS 46 -8.452 10.741 4.692 339 HG3 LYS 46 HG3 LYS 46 -6.820 10.230 4.310 340 HD2 LYS 46 HD2 LYS 46 -6.784 11.455 6.426 341 HD3 LYS 46 HD3 LYS 46 -5.938 12.398 5.215 342 HE2 LYS 46 HE2 LYS 46 -7.665 13.994 5.041 343 HE3 LYS 46 HE3 LYS 46 -8.898 12.880 5.598 344 HZ1 LYS 46 HZ1 LYS 46 -8.410 14.391 7.324 345 HZ2 LYS 46 HZ2 LYS 46 -7.792 12.951 7.784 346 HZ3 LYS 46 HZ3 LYS 46 -6.801 14.126 7.233 347 HA PRO 47 HA PRO 47 -8.855 12.641 -1.807 348 HB2 PRO 47 HB2 PRO 47 -8.352 15.329 -0.584 349 HB3 PRO 47 HB3 PRO 47 -9.605 14.821 -1.778 350 HG2 PRO 47 HG2 PRO 47 -10.249 15.238 0.754 351 HG3 PRO 47 HG3 PRO 47 -10.904 13.813 -0.136 352 HD2 PRO 47 HD2 PRO 47 -8.634 13.969 1.824 353 HD3 PRO 47 HD3 PRO 47 -9.968 12.760 1.704 354 H GLY 48 H GLY 48 -7.116 12.726 -3.285 355 HA2 GLY 48 HA2 GLY 48 -5.113 13.701 -4.056 356 HA3 GLY 48 HA3 GLY 48 -4.618 14.008 -2.403 357 H VAL 49 H VAL 49 -5.400 11.353 -1.346 358 HA VAL 49 HA VAL 49 -3.031 9.950 -2.181 359 HB VAL 49 HB VAL 49 -5.102 8.961 -0.240 360 HG11 VAL 49 HG11 VAL 49 -3.094 8.055 0.907 361 HG12 VAL 49 HG12 VAL 49 -3.278 7.441 -0.754 362 HG13 VAL 49 HG13 VAL 49 -2.079 8.709 -0.401 363 HG21 VAL 49 HG21 VAL 49 -4.915 10.857 0.942 364 HG22 VAL 49 HG22 VAL 49 -3.255 10.329 1.310 365 HG23 VAL 49 HG23 VAL 49 -3.555 11.440 -0.048 366 H ASN 50 H ASN 50 -2.964 7.857 -3.135 367 HA ASN 50 HA ASN 50 -5.355 7.326 -4.677 368 HB2 ASN 50 HB2 ASN 50 -2.426 6.526 -4.928 369 HB3 ASN 50 HB3 ASN 50 -3.653 5.652 -5.824 370 HD21 ASN 50 HD21 ASN 50 -1.789 8.506 -5.546 371 HD22 ASN 50 HD22 ASN 50 -2.369 9.357 -6.938 372 H LEU 51 H LEU 51 -6.327 5.176 -4.659 373 HA LEU 51 HA LEU 51 -5.179 3.224 -2.845 374 HB2 LEU 51 HB2 LEU 51 -6.513 4.445 -1.321 375 HB3 LEU 51 HB3 LEU 51 -7.855 4.543 -2.444 376 HG LEU 51 HG LEU 51 -8.301 2.166 -2.207 377 HD11 LEU 51 HD11 LEU 51 -5.614 2.125 -1.096 378 HD12 LEU 51 HD12 LEU 51 -6.784 1.289 -0.047 379 HD13 LEU 51 HD13 LEU 51 -6.607 0.800 -1.750 380 HD21 LEU 51 HD21 LEU 51 -8.515 4.100 -0.110 381 HD22 LEU 51 HD22 LEU 51 -9.601 2.749 -0.510 382 HD23 LEU 51 HD23 LEU 51 -8.242 2.496 0.610 383 H ASN 52 H ASN 52 -5.638 1.105 -3.453 384 HA ASN 52 HA ASN 52 -7.560 0.822 -5.607 385 HB2 ASN 52 HB2 ASN 52 -5.011 0.956 -6.341 386 HB3 ASN 52 HB3 ASN 52 -4.907 -0.667 -5.688 387 HD21 ASN 52 HD21 ASN 52 -6.235 -2.326 -6.546 388 HD22 ASN 52 HD22 ASN 52 -6.835 -2.261 -8.169 389 H CYS 53 H CYS 53 -8.961 -0.846 -5.023 390 HA CYS 53 HA CYS 53 -7.926 -2.805 -3.108 391 HB2 CYS 53 HB2 CYS 53 -10.789 -1.947 -3.578 392 HB3 CYS 53 HB3 CYS 53 -10.255 -3.152 -2.423 393 H CYS 54 H CYS 54 -8.353 -5.056 -3.545 394 HA CYS 54 HA CYS 54 -9.782 -5.707 -5.955 395 HB2 CYS 54 HB2 CYS 54 -7.739 -7.153 -6.672 396 HB3 CYS 54 HB3 CYS 54 -7.856 -5.471 -7.150 397 H ARG 55 H ARG 55 -9.919 -8.200 -6.127 398 HA ARG 55 HA ARG 55 -9.815 -9.260 -3.419 399 HB2 ARG 55 HB2 ARG 55 -11.635 -9.998 -5.766 400 HB3 ARG 55 HB3 ARG 55 -11.625 -10.854 -4.237 401 HG2 ARG 55 HG2 ARG 55 -12.628 -9.098 -3.074 402 HG3 ARG 55 HG3 ARG 55 -11.937 -7.866 -4.112 403 HD2 ARG 55 HD2 ARG 55 -14.097 -9.803 -5.065 404 HD3 ARG 55 HD3 ARG 55 -14.468 -8.243 -4.358 405 HE ARG 55 HE ARG 55 -13.440 -8.726 -7.036 406 HH11 ARG 55 HH22 ARG 55 -13.490 -6.384 -4.411 407 HH12 ARG 55 HH21 ARG 55 -13.202 -5.026 -5.447 408 HH21 ARG 55 HH12 ARG 55 -13.060 -6.935 -8.403 409 HH22 ARG 55 HH11 ARG 55 -12.956 -5.341 -7.733 410 H THR 56 H THR 56 -7.426 -9.342 -4.825 411 HA THR 56 HA THR 56 -7.231 -12.195 -5.487 412 HB THR 56 HB THR 56 -5.470 -11.247 -7.251 413 HG1 THR 56 HG1 THR 56 -7.391 -9.154 -7.463 414 HG21 THR 56 HG21 THR 56 -8.496 -10.954 -7.646 415 HG22 THR 56 HG22 THR 56 -7.294 -10.939 -8.959 416 HG23 THR 56 HG23 THR 56 -7.536 -12.413 -7.992 417 H ASP 57 H ASP 57 -5.332 -13.226 -4.853 418 HA ASP 57 HA ASP 57 -4.174 -12.200 -2.580 419 HB2 ASP 57 HB2 ASP 57 -3.102 -14.300 -4.523 420 HB3 ASP 57 HB3 ASP 57 -2.488 -14.051 -2.901 421 H ARG 58 H ARG 58 -2.138 -11.126 -2.220 422 HA ARG 58 HA ARG 58 -0.665 -9.594 -2.720 423 HB2 ARG 58 HB2 ARG 58 0.334 -11.460 -4.909 424 HB3 ARG 58 HB3 ARG 58 1.286 -10.455 -3.834 425 HG2 ARG 58 HG2 ARG 58 0.218 -11.915 -1.910 426 HG3 ARG 58 HG3 ARG 58 -0.170 -13.041 -3.197 427 HD2 ARG 58 HD2 ARG 58 2.132 -13.407 -3.741 428 HD3 ARG 58 HD3 ARG 58 2.655 -11.954 -2.913 429 HE ARG 58 HE ARG 58 1.363 -13.769 -1.063 430 HH11 ARG 58 HH22 ARG 58 4.376 -13.234 -2.800 431 HH12 ARG 58 HH21 ARG 58 5.342 -14.092 -1.646 432 HH21 ARG 58 HH12 ARG 58 2.637 -14.902 0.459 433 HH22 ARG 58 HH11 ARG 58 4.346 -15.047 0.220 434 H CYS 59 H CYS 59 -3.122 -9.122 -4.138 435 HA CYS 59 HA CYS 59 -2.396 -8.490 -6.851 436 HB2 CYS 59 HB2 CYS 59 -4.673 -7.907 -7.174 437 HB3 CYS 59 HB3 CYS 59 -4.623 -9.404 -6.265 438 H ASN 60 H ASN 60 -2.491 -7.045 -3.652 439 HA ASN 60 HA ASN 60 -2.466 -4.382 -4.760 440 HB2 ASN 60 HB2 ASN 60 -2.625 -3.631 -2.425 441 HB3 ASN 60 HB3 ASN 60 -3.793 -4.914 -2.672 442 HD21 ASN 60 HD21 ASN 60 -2.109 -3.828 -0.357 443 HD22 ASN 60 HD22 ASN 60 -1.442 -5.233 0.405 444 H ASN 61 H ASN 61 -0.247 -5.769 -5.653 445 HA ASN 61 HA ASN 61 1.889 -5.644 -3.813 446 HB2 ASN 61 HB2 ASN 61 2.203 -7.262 -5.516 447 HB3 ASN 61 HB3 ASN 61 1.577 -6.213 -6.772 448 HD21 ASN 61 HD21 ASN 61 4.295 -7.538 -5.420 449 HD22 ASN 61 HD22 ASN 61 5.522 -6.500 -6.067 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 -5.396 -15.539 2.633 2 H2 LEU 1 H2 LEU 1 -6.585 -16.080 1.617 3 H3 LEU 1 H3 LEU 1 -6.915 -14.885 2.715 4 HA LEU 1 HA LEU 1 -5.506 -14.790 0.216 5 HB2 LEU 1 HB2 LEU 1 -7.753 -14.043 0.201 6 HB3 LEU 1 HB3 LEU 1 -7.526 -13.070 1.641 7 HG LEU 1 HG LEU 1 -5.796 -11.758 0.177 8 HD11 LEU 1 HD11 LEU 1 -6.504 -11.692 -2.228 9 HD12 LEU 1 HD12 LEU 1 -5.678 -13.188 -1.729 10 HD13 LEU 1 HD13 LEU 1 -7.447 -13.172 -1.928 11 HD21 LEU 1 HD21 LEU 1 -7.582 -10.515 0.922 12 HD22 LEU 1 HD22 LEU 1 -7.837 -10.465 -0.839 13 HD23 LEU 1 HD23 LEU 1 -8.788 -11.584 0.167 14 H GLU 2 H GLU 2 -3.709 -13.521 -0.176 15 HA GLU 2 HA GLU 2 -2.583 -12.310 2.226 16 HB2 GLU 2 HB2 GLU 2 -1.113 -13.317 -0.250 17 HB3 GLU 2 HB3 GLU 2 -0.365 -12.685 1.203 18 HG2 GLU 2 HG2 GLU 2 -0.261 -15.028 1.524 19 HG3 GLU 2 HG3 GLU 2 -1.655 -14.559 2.476 20 H CYS 3 H CYS 3 -1.615 -10.200 2.073 21 HA CYS 3 HA CYS 3 -2.041 -8.840 -0.471 22 HB2 CYS 3 HB2 CYS 3 -2.842 -7.572 2.146 23 HB3 CYS 3 HB3 CYS 3 -3.111 -6.968 0.523 24 H HIS 4 H HIS 4 -0.371 -7.356 -0.931 25 HA HIS 4 HA HIS 4 2.007 -7.658 0.498 26 HB2 HIS 4 HB2 HIS 4 1.047 -5.898 -1.730 27 HB3 HIS 4 HB3 HIS 4 2.568 -5.512 -0.951 28 HD1 HIS 4 HD1 HIS 4 4.562 -7.180 -1.279 29 HD2 HIS 4 HD2 HIS 4 1.052 -8.241 -3.317 30 HE1 HIS 4 HE1 HIS 4 5.221 -9.005 -2.936 31 HE2 HIS 4 HE2 HIS 4 3.014 -9.654 -4.120 32 H ASN 5 H ASN 5 3.016 -6.428 2.084 33 HA ASN 5 HA ASN 5 1.378 -4.242 3.105 34 HB2 ASN 5 HB2 ASN 5 1.982 -4.855 5.338 35 HB3 ASN 5 HB3 ASN 5 1.669 -6.391 4.554 36 HD21 ASN 5 HD21 ASN 5 3.601 -5.048 6.676 37 HD22 ASN 5 HD22 ASN 5 5.112 -5.846 6.392 38 H GLN 6 H GLN 6 3.828 -4.603 1.129 39 HA GLN 6 HA GLN 6 5.999 -3.432 2.493 40 HB2 GLN 6 HB2 GLN 6 6.757 -3.057 -0.010 41 HB3 GLN 6 HB3 GLN 6 6.690 -4.679 0.650 42 HG2 GLN 6 HG2 GLN 6 4.807 -5.267 -0.586 43 HG3 GLN 6 HG3 GLN 6 4.161 -3.638 -0.589 44 HE21 GLN 6 HE21 GLN 6 5.228 -5.919 -2.543 45 HE22 GLN 6 HE22 GLN 6 5.973 -5.014 -3.819 46 H GLN 7 H GLN 7 6.757 -1.265 2.456 47 HA GLN 7 HA GLN 7 4.712 0.616 1.586 48 HB2 GLN 7 HB2 GLN 7 4.996 1.026 3.863 49 HB3 GLN 7 HB3 GLN 7 6.693 0.586 3.849 50 HG2 GLN 7 HG2 GLN 7 7.217 2.684 2.574 51 HG3 GLN 7 HG3 GLN 7 5.522 3.126 2.616 52 HE21 GLN 7 HE21 GLN 7 5.043 4.559 4.079 53 HE22 GLN 7 HE22 GLN 7 5.758 4.752 5.645 54 H SER 8 H SER 8 5.531 2.760 0.719 55 HA SER 8 HA SER 8 6.495 3.624 -1.076 56 HB2 SER 8 HB2 SER 8 9.056 3.153 0.500 57 HB3 SER 8 HB3 SER 8 8.700 4.492 -0.574 58 HG SER 8 HG SER 8 8.372 5.278 1.502 59 H SER 9 H SER 9 9.652 2.881 -1.309 60 HA SER 9 HA SER 9 9.113 0.876 -3.309 61 HB2 SER 9 HB2 SER 9 11.670 1.338 -3.762 62 HB3 SER 9 HB3 SER 9 10.473 2.524 -4.244 63 HG SER 9 HG SER 9 12.410 3.326 -3.007 64 H GLN 10 H GLN 10 9.726 0.880 -0.050 65 HA GLN 10 HA GLN 10 11.873 -0.626 0.457 66 HB2 GLN 10 HB2 GLN 10 9.175 -1.183 1.750 67 HB3 GLN 10 HB3 GLN 10 10.760 -1.349 2.479 68 HG2 GLN 10 HG2 GLN 10 9.152 1.131 1.967 69 HG3 GLN 10 HG3 GLN 10 10.163 0.726 3.339 70 HE21 GLN 10 HE21 GLN 10 12.486 0.743 3.057 71 HE22 GLN 10 HE22 GLN 10 13.223 1.862 1.958 72 HA PRO 11 HA PRO 11 11.682 -4.739 -0.982 73 HB2 PRO 11 HB2 PRO 11 11.403 -5.677 1.850 74 HB3 PRO 11 HB3 PRO 11 12.625 -6.125 0.601 75 HG2 PRO 11 HG2 PRO 11 13.262 -4.488 2.580 76 HG3 PRO 11 HG3 PRO 11 13.800 -4.142 0.894 77 HD2 PRO 11 HD2 PRO 11 11.521 -2.965 2.457 78 HD3 PRO 11 HD3 PRO 11 12.741 -2.146 1.412 79 HA PRO 12 HA PRO 12 7.280 -5.481 -1.258 80 HB2 PRO 12 HB2 PRO 12 8.350 -7.952 -2.572 81 HB3 PRO 12 HB3 PRO 12 7.132 -6.764 -3.169 82 HG2 PRO 12 HG2 PRO 12 9.597 -6.761 -4.129 83 HG3 PRO 12 HG3 PRO 12 8.770 -5.211 -3.723 84 HD2 PRO 12 HD2 PRO 12 10.825 -6.751 -2.165 85 HD3 PRO 12 HD3 PRO 12 10.717 -4.980 -2.488 86 H THR 13 H THR 13 6.022 -6.404 0.389 87 HA THR 13 HA THR 13 6.847 -9.035 1.400 88 HB THR 13 HB THR 13 6.091 -7.994 3.706 89 HG1 THR 13 HG1 THR 13 5.377 -6.022 2.407 90 HG21 THR 13 HG21 THR 13 8.357 -6.883 4.031 91 HG22 THR 13 HG22 THR 13 8.469 -8.528 3.359 92 HG23 THR 13 HG23 THR 13 8.664 -7.116 2.293 93 H THR 14 H THR 14 4.967 -9.873 2.935 94 HA THR 14 HA THR 14 2.373 -9.066 1.886 95 HB THR 14 HB THR 14 1.992 -11.648 1.494 96 HG1 THR 14 HG1 THR 14 3.904 -12.772 1.616 97 HG21 THR 14 HG21 THR 14 2.027 -10.211 -0.473 98 HG22 THR 14 HG22 THR 14 3.776 -9.927 -0.299 99 HG23 THR 14 HG23 THR 14 3.179 -11.532 -0.785 100 H LYS 15 H LYS 15 0.563 -9.959 3.133 101 HA LYS 15 HA LYS 15 1.292 -11.162 5.660 102 HB2 LYS 15 HB2 LYS 15 1.529 -8.621 5.877 103 HB3 LYS 15 HB3 LYS 15 -0.211 -8.539 5.685 104 HG2 LYS 15 HG2 LYS 15 0.051 -8.655 8.030 105 HG3 LYS 15 HG3 LYS 15 -0.323 -10.313 7.600 106 HD2 LYS 15 HD2 LYS 15 2.198 -10.757 7.488 107 HD3 LYS 15 HD3 LYS 15 2.447 -9.152 8.146 108 HE2 LYS 15 HE2 LYS 15 1.195 -9.729 10.185 109 HE3 LYS 15 HE3 LYS 15 0.739 -11.283 9.515 110 HZ1 LYS 15 HZ1 LYS 15 3.276 -10.438 10.583 111 HZ2 LYS 15 HZ2 LYS 15 2.557 -11.904 10.639 112 HZ3 LYS 15 HZ3 LYS 15 3.348 -11.433 9.289 113 H THR 16 H THR 16 -0.516 -12.174 6.708 114 HA THR 16 HA THR 16 -2.558 -12.929 4.831 115 HB THR 16 HB THR 16 -2.400 -13.670 7.780 116 HG1 THR 16 HG1 THR 16 -0.893 -14.638 5.452 117 HG21 THR 16 HG21 THR 16 -3.460 -14.864 5.223 118 HG22 THR 16 HG22 THR 16 -2.725 -15.981 6.398 119 HG23 THR 16 HG23 THR 16 -4.115 -14.976 6.874 120 H CYS 17 H CYS 17 -4.594 -12.198 4.627 121 HA CYS 17 HA CYS 17 -5.291 -9.920 6.229 122 HB2 CYS 17 HB2 CYS 17 -7.063 -11.204 4.166 123 HB3 CYS 17 HB3 CYS 17 -7.024 -9.535 4.698 124 H SER 18 H SER 18 -6.481 -10.068 8.102 125 HA SER 18 HA SER 18 -7.799 -12.613 8.578 126 HB2 SER 18 HB2 SER 18 -7.721 -12.009 10.961 127 HB3 SER 18 HB3 SER 18 -6.121 -11.898 10.254 128 HG SER 18 HG SER 18 -6.487 -9.559 10.022 129 H GLY 19 H GLY 19 -9.992 -12.668 8.267 130 HA2 GLY 19 HA2 GLY 19 -12.163 -12.037 8.482 131 HA3 GLY 19 HA3 GLY 19 -11.665 -10.550 9.262 132 H GLU 20 H GLU 20 -9.686 -10.428 6.696 133 HA GLU 20 HA GLU 20 -11.679 -9.005 5.130 134 HB2 GLU 20 HB2 GLU 20 -8.675 -8.741 4.799 135 HB3 GLU 20 HB3 GLU 20 -9.922 -7.598 4.340 136 HG2 GLU 20 HG2 GLU 20 -10.483 -7.572 6.934 137 HG3 GLU 20 HG3 GLU 20 -8.869 -8.231 7.111 138 H THR 21 H THR 21 -11.411 -9.077 2.694 139 HA THR 21 HA THR 21 -10.095 -11.517 1.760 140 HB THR 21 HB THR 21 -12.301 -11.920 0.425 141 HG1 THR 21 HG1 THR 21 -13.219 -9.822 0.977 142 HG21 THR 21 HG21 THR 21 -13.505 -12.904 2.439 143 HG22 THR 21 HG22 THR 21 -11.806 -13.419 2.312 144 HG23 THR 21 HG23 THR 21 -12.269 -12.157 3.479 145 H ASN 22 H ASN 22 -9.884 -8.392 1.665 146 HA ASN 22 HA ASN 22 -9.510 -8.396 -1.218 147 HB2 ASN 22 HB2 ASN 22 -10.657 -6.099 0.456 148 HB3 ASN 22 HB3 ASN 22 -10.230 -5.968 -1.238 149 HD21 ASN 22 HD21 ASN 22 -12.352 -7.480 1.103 150 HD22 ASN 22 HD22 ASN 22 -13.625 -7.938 0.020 151 H CYS 23 H CYS 23 -7.775 -6.810 -1.892 152 HA CYS 23 HA CYS 23 -6.007 -6.183 0.361 153 HB2 CYS 23 HB2 CYS 23 -5.184 -6.829 -2.476 154 HB3 CYS 23 HB3 CYS 23 -4.117 -6.489 -1.128 155 H TYR 24 H TYR 24 -5.208 -4.049 0.453 156 HA TYR 24 HA TYR 24 -6.185 -2.268 -1.679 157 HB2 TYR 24 HB2 TYR 24 -6.575 -0.676 0.125 158 HB3 TYR 24 HB3 TYR 24 -7.164 -2.202 0.751 159 HD1 TYR 24 HD2 TYR 24 -4.380 0.234 0.901 160 HD2 TYR 24 HD1 TYR 24 -6.109 -3.277 2.630 161 HE1 TYR 24 HE2 TYR 24 -2.836 0.453 2.909 162 HE2 TYR 24 HE1 TYR 24 -4.558 -3.046 4.632 163 HH TYR 24 HH TYR 24 -2.787 -0.216 5.221 164 H LYS 25 H LYS 25 -4.834 -0.418 -2.209 165 HA LYS 25 HA LYS 25 -2.111 -0.552 -1.183 166 HB2 LYS 25 HB2 LYS 25 -1.885 -1.943 -3.086 167 HB3 LYS 25 HB3 LYS 25 -2.903 -0.915 -4.075 168 HG2 LYS 25 HG2 LYS 25 -1.176 0.933 -3.831 169 HG3 LYS 25 HG3 LYS 25 -0.144 -0.196 -2.977 170 HD2 LYS 25 HD2 LYS 25 0.005 -1.656 -4.932 171 HD3 LYS 25 HD3 LYS 25 -1.224 -0.738 -5.779 172 HE2 LYS 25 HE2 LYS 25 1.304 0.648 -4.831 173 HE3 LYS 25 HE3 LYS 25 1.332 -0.298 -6.306 174 HZ1 LYS 25 HZ1 LYS 25 -0.913 1.224 -6.489 175 HZ2 LYS 25 HZ2 LYS 25 0.197 2.240 -5.857 176 HZ3 LYS 25 HZ3 LYS 25 0.497 1.482 -7.272 177 H LYS 26 H LYS 26 -1.592 1.443 -0.485 178 HA LYS 26 HA LYS 26 -2.955 3.687 -1.800 179 HB2 LYS 26 HB2 LYS 26 -1.790 3.646 0.994 180 HB3 LYS 26 HB3 LYS 26 -2.803 4.882 0.276 181 HG2 LYS 26 HG2 LYS 26 -4.733 3.445 0.249 182 HG3 LYS 26 HG3 LYS 26 -3.769 2.008 0.528 183 HD2 LYS 26 HD2 LYS 26 -5.089 3.056 2.542 184 HD3 LYS 26 HD3 LYS 26 -3.454 2.484 2.811 185 HE2 LYS 26 HE2 LYS 26 -3.817 5.351 1.938 186 HE3 LYS 26 HE3 LYS 26 -4.235 4.939 3.590 187 HZ1 LYS 26 HZ1 LYS 26 -1.709 5.295 2.511 188 HZ2 LYS 26 HZ2 LYS 26 -2.101 4.943 4.057 189 HZ3 LYS 26 HZ3 LYS 26 -1.810 3.738 2.994 190 H TRP 27 H TRP 27 -1.738 5.486 -2.482 191 HA TRP 27 HA TRP 27 1.079 5.568 -1.970 192 HB2 TRP 27 HB2 TRP 27 1.882 5.241 -4.171 193 HB3 TRP 27 HB3 TRP 27 0.937 3.832 -3.733 194 HD1 TRP 27 HD1 TRP 27 1.010 6.676 -6.267 195 HE1 TRP 27 HE1 TRP 27 -0.844 6.388 -8.124 196 HE3 TRP 27 HE3 TRP 27 -1.443 2.861 -3.970 197 HZ2 TRP 27 HZ2 TRP 27 -3.077 4.636 -8.416 198 HZ3 TRP 27 HZ3 TRP 27 -3.451 1.918 -5.108 199 HH2 TRP 27 HH2 TRP 27 -4.275 2.745 -7.255 200 H TRP 28 H TRP 28 1.889 7.679 -2.438 201 HA TRP 28 HA TRP 28 0.323 9.509 -3.972 202 HB2 TRP 28 HB2 TRP 28 -0.260 11.045 -2.222 203 HB3 TRP 28 HB3 TRP 28 -1.010 9.489 -1.928 204 HD1 TRP 28 HD1 TRP 28 1.393 11.953 -0.330 205 HE1 TRP 28 HE1 TRP 28 2.154 11.181 2.076 206 HE3 TRP 28 HE3 TRP 28 -0.533 7.258 -0.654 207 HZ2 TRP 28 HZ2 TRP 28 1.872 8.748 3.541 208 HZ3 TRP 28 HZ3 TRP 28 -0.246 5.748 1.309 209 HH2 TRP 28 HH2 TRP 28 0.908 6.426 3.354 210 H SER 29 H SER 29 1.442 11.802 -3.711 211 HA SER 29 HA SER 29 4.288 11.230 -3.575 212 HB2 SER 29 HB2 SER 29 4.569 13.239 -4.987 213 HB3 SER 29 HB3 SER 29 3.470 12.096 -5.733 214 HG SER 29 HG SER 29 2.629 14.256 -5.850 215 H ASP 30 H ASP 30 5.729 12.836 -2.534 216 HA ASP 30 HA ASP 30 4.366 14.732 -0.837 217 HB2 ASP 30 HB2 ASP 30 6.333 12.626 0.179 218 HB3 ASP 30 HB3 ASP 30 5.767 13.984 1.131 219 H HIS 31 H HIS 31 6.160 16.161 0.311 220 HA HIS 31 HA HIS 31 7.935 17.039 -1.683 221 HB2 HIS 31 HB2 HIS 31 8.701 18.626 0.034 222 HB3 HIS 31 HB3 HIS 31 6.956 18.588 -0.122 223 HD1 HIS 31 HD1 HIS 31 5.574 17.623 1.881 224 HD2 HIS 31 HD2 HIS 31 9.721 17.706 2.510 225 HE1 HIS 31 HE1 HIS 31 5.927 17.215 4.375 226 HE2 HIS 31 HE2 HIS 31 8.495 17.223 4.691 227 H ARG 32 H ARG 32 8.065 14.399 0.466 228 HA ARG 32 HA ARG 32 10.959 14.518 0.562 229 HB2 ARG 32 HB2 ARG 32 8.841 13.026 2.129 230 HB3 ARG 32 HB3 ARG 32 10.451 12.339 2.047 231 HG2 ARG 32 HG2 ARG 32 11.380 14.564 2.849 232 HG3 ARG 32 HG3 ARG 32 9.735 15.135 3.048 233 HD2 ARG 32 HD2 ARG 32 10.333 14.354 5.217 234 HD3 ARG 32 HD3 ARG 32 9.356 13.056 4.560 235 HE ARG 32 HE ARG 32 12.174 12.688 3.937 236 HH11 ARG 32 HH22 ARG 32 9.765 12.277 6.469 237 HH12 ARG 32 HH21 ARG 32 10.631 11.005 7.264 238 HH21 ARG 32 HH12 ARG 32 13.317 11.010 4.985 239 HH22 ARG 32 HH11 ARG 32 12.666 10.280 6.414 240 H GLY 33 H GLY 33 8.182 12.839 -0.849 241 HA2 GLY 33 HA2 GLY 33 9.308 11.754 -3.009 242 HA3 GLY 33 HA3 GLY 33 9.762 10.584 -1.785 243 H THR 34 H THR 34 8.303 9.311 -3.461 244 HA THR 34 HA THR 34 5.468 9.712 -3.029 245 HB THR 34 HB THR 34 7.196 7.826 -4.701 246 HG1 THR 34 HG1 THR 34 6.935 9.875 -5.644 247 HG21 THR 34 HG21 THR 34 5.347 6.425 -4.648 248 HG22 THR 34 HG22 THR 34 4.281 7.702 -4.015 249 HG23 THR 34 HG23 THR 34 4.665 7.644 -5.752 250 H ILE 35 H ILE 35 4.467 9.019 -1.254 251 HA ILE 35 HA ILE 35 5.677 6.839 0.230 252 HB ILE 35 HB ILE 35 3.355 8.668 0.853 253 HG12 ILE 35 HG12 ILE 35 6.280 8.726 1.609 254 HG13 ILE 35 HG13 ILE 35 5.341 9.969 0.806 255 HG21 ILE 35 HG21 ILE 35 4.744 6.589 2.565 256 HG22 ILE 35 HG22 ILE 35 3.586 7.803 3.162 257 HG23 ILE 35 HG23 ILE 35 3.057 6.564 1.998 258 HD11 ILE 35 HD11 ILE 35 3.901 10.133 2.903 259 HD12 ILE 35 HD12 ILE 35 5.059 9.038 3.697 260 HD13 ILE 35 HD13 ILE 35 5.595 10.635 3.121 261 H ILE 36 H ILE 36 4.882 4.775 0.339 262 HA ILE 36 HA ILE 36 2.291 4.321 -0.959 263 HB ILE 36 HB ILE 36 4.671 2.504 -1.281 264 HG12 ILE 36 HG12 ILE 36 3.726 4.680 -3.171 265 HG13 ILE 36 HG13 ILE 36 5.225 4.683 -2.264 266 HG21 ILE 36 HG21 ILE 36 1.960 2.100 -1.718 267 HG22 ILE 36 HG22 ILE 36 2.604 2.478 -3.334 268 HG23 ILE 36 HG23 ILE 36 3.302 1.141 -2.388 269 HD11 ILE 36 HD11 ILE 36 5.697 3.912 -4.527 270 HD12 ILE 36 HD12 ILE 36 5.877 2.528 -3.422 271 HD13 ILE 36 HD13 ILE 36 4.413 2.684 -4.422 272 H GLU 37 H GLU 37 0.879 3.298 0.355 273 HA GLU 37 HA GLU 37 2.051 1.656 2.458 274 HB2 GLU 37 HB2 GLU 37 0.103 3.921 2.672 275 HB3 GLU 37 HB3 GLU 37 -0.223 2.523 3.677 276 HG2 GLU 37 HG2 GLU 37 2.549 3.774 3.581 277 HG3 GLU 37 HG3 GLU 37 1.308 4.407 4.645 278 H ARG 38 H ARG 38 1.437 -0.436 2.143 279 HA ARG 38 HA ARG 38 -1.224 -0.817 1.022 280 HB2 ARG 38 HB2 ARG 38 1.180 -2.685 0.723 281 HB3 ARG 38 HB3 ARG 38 -0.379 -2.878 -0.053 282 HG2 ARG 38 HG2 ARG 38 0.084 -0.476 -1.045 283 HG3 ARG 38 HG3 ARG 38 1.750 -0.785 -0.599 284 HD2 ARG 38 HD2 ARG 38 1.365 -3.096 -1.868 285 HD3 ARG 38 HD3 ARG 38 0.032 -2.246 -2.623 286 HE ARG 38 HE ARG 38 1.595 -1.125 -3.931 287 HH11 ARG 38 HH22 ARG 38 3.150 -2.069 -0.919 288 HH12 ARG 38 HH21 ARG 38 4.699 -1.443 -1.374 289 HH21 ARG 38 HH12 ARG 38 3.639 -0.299 -4.532 290 HH22 ARG 38 HH11 ARG 38 4.980 -0.430 -3.443 291 H GLY 39 H GLY 39 -2.250 -2.983 1.682 292 HA2 GLY 39 HA2 GLY 39 -1.242 -4.501 3.827 293 HA3 GLY 39 HA3 GLY 39 -2.293 -3.252 4.466 294 H CYS 40 H CYS 40 -3.392 -5.500 5.056 295 HA CYS 40 HA CYS 40 -4.884 -6.608 2.862 296 HB2 CYS 40 HB2 CYS 40 -4.579 -7.260 5.774 297 HB3 CYS 40 HB3 CYS 40 -5.931 -7.915 4.873 298 H GLY 41 H GLY 41 -7.270 -6.592 2.813 299 HA2 GLY 41 HA2 GLY 41 -9.349 -5.829 3.531 300 HA3 GLY 41 HA3 GLY 41 -8.578 -4.633 4.554 301 H CYS 42 H CYS 42 -10.260 -3.195 3.468 302 HA CYS 42 HA CYS 42 -8.989 -1.957 1.176 303 HB2 CYS 42 HB2 CYS 42 -10.541 -3.415 0.088 304 HB3 CYS 42 HB3 CYS 42 -11.838 -2.957 1.174 305 HA PRO 43 HA PRO 43 -10.420 0.820 4.618 306 HB2 PRO 43 HB2 PRO 43 -8.072 2.221 4.688 307 HB3 PRO 43 HB3 PRO 43 -8.284 0.650 5.548 308 HG2 PRO 43 HG2 PRO 43 -7.055 1.205 2.867 309 HG3 PRO 43 HG3 PRO 43 -6.431 0.197 4.225 310 HD2 PRO 43 HD2 PRO 43 -7.693 -0.872 2.107 311 HD3 PRO 43 HD3 PRO 43 -7.894 -1.523 3.777 312 H LYS 44 H LYS 44 -10.093 3.411 4.612 313 HA LYS 44 HA LYS 44 -10.535 4.246 1.830 314 HB2 LYS 44 HB2 LYS 44 -12.202 5.749 2.552 315 HB3 LYS 44 HB3 LYS 44 -12.551 4.234 3.361 316 HG2 LYS 44 HG2 LYS 44 -10.986 5.282 5.276 317 HG3 LYS 44 HG3 LYS 44 -11.445 6.794 4.518 318 HD2 LYS 44 HD2 LYS 44 -13.177 6.562 6.065 319 HD3 LYS 44 HD3 LYS 44 -13.907 5.806 4.663 320 HE2 LYS 44 HE2 LYS 44 -13.440 3.584 5.483 321 HE3 LYS 44 HE3 LYS 44 -12.328 4.181 6.698 322 HZ1 LYS 44 HZ1 LYS 44 -14.081 5.072 7.918 323 HZ2 LYS 44 HZ2 LYS 44 -15.155 4.948 6.694 324 HZ3 LYS 44 HZ3 LYS 44 -14.625 3.603 7.455 325 H VAL 45 H VAL 45 -9.489 6.104 1.088 326 HA VAL 45 HA VAL 45 -7.497 7.173 2.967 327 HB VAL 45 HB VAL 45 -6.069 7.546 1.061 328 HG11 VAL 45 HG11 VAL 45 -7.193 4.732 1.205 329 HG12 VAL 45 HG12 VAL 45 -5.692 5.165 0.352 330 HG13 VAL 45 HG13 VAL 45 -5.816 5.401 2.112 331 HG21 VAL 45 HG21 VAL 45 -6.843 6.416 -1.167 332 HG22 VAL 45 HG22 VAL 45 -8.479 6.661 -0.510 333 HG23 VAL 45 HG23 VAL 45 -7.405 8.057 -0.769 334 H LYS 46 H LYS 46 -6.849 9.496 2.457 335 HA LYS 46 HA LYS 46 -9.295 10.998 2.113 336 HB2 LYS 46 HB2 LYS 46 -6.579 12.165 2.697 337 HB3 LYS 46 HB3 LYS 46 -8.160 12.785 3.127 338 HG2 LYS 46 HG2 LYS 46 -8.490 10.789 4.643 339 HG3 LYS 46 HG3 LYS 46 -6.864 10.260 4.260 340 HD2 LYS 46 HD2 LYS 46 -6.615 11.462 6.298 341 HD3 LYS 46 HD3 LYS 46 -6.068 12.588 5.071 342 HE2 LYS 46 HE2 LYS 46 -8.364 13.634 5.046 343 HE3 LYS 46 HE3 LYS 46 -8.854 12.544 6.327 344 HZ1 LYS 46 HZ1 LYS 46 -7.888 14.881 6.843 345 HZ2 LYS 46 HZ2 LYS 46 -7.566 13.616 7.825 346 HZ3 LYS 46 HZ3 LYS 46 -6.451 14.111 6.739 347 HA PRO 47 HA PRO 47 -8.862 12.654 -1.871 348 HB2 PRO 47 HB2 PRO 47 -8.367 15.347 -0.654 349 HB3 PRO 47 HB3 PRO 47 -9.614 14.834 -1.851 350 HG2 PRO 47 HG2 PRO 47 -10.270 15.258 0.676 351 HG3 PRO 47 HG3 PRO 47 -10.920 13.830 -0.213 352 HD2 PRO 47 HD2 PRO 47 -8.659 13.994 1.757 353 HD3 PRO 47 HD3 PRO 47 -9.990 12.784 1.635 354 H GLY 48 H GLY 48 -7.116 12.734 -3.341 355 HA2 GLY 48 HA2 GLY 48 -5.110 13.710 -4.106 356 HA3 GLY 48 HA3 GLY 48 -4.623 14.022 -2.451 357 H VAL 49 H VAL 49 -5.406 11.370 -1.389 358 HA VAL 49 HA VAL 49 -3.033 9.966 -2.209 359 HB VAL 49 HB VAL 49 -5.113 8.981 -0.276 360 HG11 VAL 49 HG11 VAL 49 -2.092 8.723 -0.439 361 HG12 VAL 49 HG12 VAL 49 -3.098 8.090 0.886 362 HG13 VAL 49 HG13 VAL 49 -3.296 7.454 -0.765 363 HG21 VAL 49 HG21 VAL 49 -3.276 10.352 1.281 364 HG22 VAL 49 HG22 VAL 49 -3.563 11.460 -0.082 365 HG23 VAL 49 HG23 VAL 49 -4.932 10.883 0.899 366 H ASN 50 H ASN 50 -2.963 7.860 -3.145 367 HA ASN 50 HA ASN 50 -5.346 7.326 -4.699 368 HB2 ASN 50 HB2 ASN 50 -2.416 6.528 -4.940 369 HB3 ASN 50 HB3 ASN 50 -3.639 5.655 -5.841 370 HD21 ASN 50 HD21 ASN 50 -1.777 8.510 -5.553 371 HD22 ASN 50 HD22 ASN 50 -2.351 9.360 -6.948 372 H LEU 51 H LEU 51 -6.324 5.183 -4.668 373 HA LEU 51 HA LEU 51 -5.171 3.229 -2.858 374 HB2 LEU 51 HB2 LEU 51 -6.495 4.461 -1.329 375 HB3 LEU 51 HB3 LEU 51 -7.844 4.552 -2.442 376 HG LEU 51 HG LEU 51 -8.269 2.164 -2.199 377 HD11 LEU 51 HD11 LEU 51 -6.784 1.300 -0.028 378 HD12 LEU 51 HD12 LEU 51 -6.540 0.838 -1.730 379 HD13 LEU 51 HD13 LEU 51 -5.596 2.173 -1.027 380 HD21 LEU 51 HD21 LEU 51 -8.228 2.543 0.618 381 HD22 LEU 51 HD22 LEU 51 -8.535 4.124 -0.140 382 HD23 LEU 51 HD23 LEU 51 -9.587 2.738 -0.514 383 H ASN 52 H ASN 52 -5.643 1.111 -3.460 384 HA ASN 52 HA ASN 52 -7.581 0.830 -5.600 385 HB2 ASN 52 HB2 ASN 52 -5.621 0.814 -6.926 386 HB3 ASN 52 HB3 ASN 52 -4.640 0.114 -5.654 387 HD21 ASN 52 HD21 ASN 52 -7.236 -0.524 -7.955 388 HD22 ASN 52 HD22 ASN 52 -6.976 -2.226 -8.137 389 H CYS 53 H CYS 53 -8.969 -0.853 -5.026 390 HA CYS 53 HA CYS 53 -7.922 -2.805 -3.109 391 HB2 CYS 53 HB2 CYS 53 -10.792 -1.965 -3.569 392 HB3 CYS 53 HB3 CYS 53 -10.242 -3.157 -2.408 393 H CYS 54 H CYS 54 -8.363 -5.059 -3.538 394 HA CYS 54 HA CYS 54 -9.792 -5.713 -5.946 395 HB2 CYS 54 HB2 CYS 54 -7.750 -7.157 -6.668 396 HB3 CYS 54 HB3 CYS 54 -7.870 -5.475 -7.146 397 H ARG 55 H ARG 55 -9.931 -8.205 -6.114 398 HA ARG 55 HA ARG 55 -9.816 -9.263 -3.406 399 HB2 ARG 55 HB2 ARG 55 -11.643 -10.003 -5.747 400 HB3 ARG 55 HB3 ARG 55 -11.627 -10.860 -4.218 401 HG2 ARG 55 HG2 ARG 55 -12.627 -9.105 -3.051 402 HG3 ARG 55 HG3 ARG 55 -11.941 -7.872 -4.091 403 HD2 ARG 55 HD2 ARG 55 -13.503 -8.874 -5.955 404 HD3 ARG 55 HD3 ARG 55 -14.345 -9.654 -4.631 405 HE ARG 55 HE ARG 55 -14.122 -6.989 -3.827 406 HH11 ARG 55 HH22 ARG 55 -15.487 -8.657 -6.608 407 HH12 ARG 55 HH21 ARG 55 -16.705 -7.458 -6.891 408 HH21 ARG 55 HH12 ARG 55 -15.729 -5.407 -4.200 409 HH22 ARG 55 HH11 ARG 55 -16.843 -5.597 -5.512 410 H THR 56 H THR 56 -7.432 -9.343 -4.823 411 HA THR 56 HA THR 56 -7.237 -12.197 -5.486 412 HB THR 56 HB THR 56 -5.479 -11.246 -7.252 413 HG1 THR 56 HG1 THR 56 -7.113 -9.147 -7.797 414 HG21 THR 56 HG21 THR 56 -8.506 -10.959 -7.638 415 HG22 THR 56 HG22 THR 56 -7.310 -10.932 -8.956 416 HG23 THR 56 HG23 THR 56 -7.542 -12.412 -7.995 417 H ASP 57 H ASP 57 -5.337 -13.229 -4.856 418 HA ASP 57 HA ASP 57 -4.175 -12.204 -2.584 419 HB2 ASP 57 HB2 ASP 57 -3.089 -14.298 -4.527 420 HB3 ASP 57 HB3 ASP 57 -2.502 -14.060 -2.893 421 H ARG 58 H ARG 58 -2.141 -11.127 -2.228 422 HA ARG 58 HA ARG 58 -0.667 -9.597 -2.730 423 HB2 ARG 58 HB2 ARG 58 0.329 -11.462 -4.920 424 HB3 ARG 58 HB3 ARG 58 1.281 -10.458 -3.845 425 HG2 ARG 58 HG2 ARG 58 0.213 -11.921 -1.923 426 HG3 ARG 58 HG3 ARG 58 -0.174 -13.045 -3.210 427 HD2 ARG 58 HD2 ARG 58 2.127 -13.412 -3.752 428 HD3 ARG 58 HD3 ARG 58 2.650 -11.957 -2.928 429 HE ARG 58 HE ARG 58 1.508 -13.439 -0.891 430 HH11 ARG 58 HH22 ARG 58 3.975 -14.127 -3.304 431 HH12 ARG 58 HH21 ARG 58 4.816 -15.265 -2.305 432 HH21 ARG 58 HH12 ARG 58 2.617 -14.940 0.428 433 HH22 ARG 58 HH11 ARG 58 4.038 -15.731 -0.168 434 H CYS 59 H CYS 59 -3.125 -9.122 -4.142 435 HA CYS 59 HA CYS 59 -2.404 -8.491 -6.858 436 HB2 CYS 59 HB2 CYS 59 -4.681 -7.907 -7.177 437 HB3 CYS 59 HB3 CYS 59 -4.630 -9.405 -6.269 438 H ASN 60 H ASN 60 -2.494 -7.046 -3.658 439 HA ASN 60 HA ASN 60 -2.470 -4.383 -4.766 440 HB2 ASN 60 HB2 ASN 60 -2.626 -3.632 -2.432 441 HB3 ASN 60 HB3 ASN 60 -3.794 -4.916 -2.676 442 HD21 ASN 60 HD21 ASN 60 -2.097 -3.825 -0.368 443 HD22 ASN 60 HD22 ASN 60 -1.430 -5.229 0.395 444 H ASN 61 H ASN 61 -0.253 -5.763 -5.666 445 HA ASN 61 HA ASN 61 1.894 -5.825 -3.912 446 HB2 ASN 61 HB2 ASN 61 2.184 -5.323 -6.902 447 HB3 ASN 61 HB3 ASN 61 3.228 -6.273 -5.862 448 HD21 ASN 61 HD21 ASN 61 2.918 -8.378 -5.674 449 HD22 ASN 61 HD22 ASN 61 1.572 -9.280 -6.287 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 -7.178 -15.516 1.962 2 H2 LEU 1 H2 LEU 1 -6.113 -14.856 3.046 3 H3 LEU 1 H3 LEU 1 -5.613 -16.054 2.018 4 HA LEU 1 HA LEU 1 -5.509 -14.770 0.235 5 HB2 LEU 1 HB2 LEU 1 -7.758 -14.025 0.219 6 HB3 LEU 1 HB3 LEU 1 -7.528 -13.043 1.653 7 HG LEU 1 HG LEU 1 -5.799 -11.741 0.178 8 HD11 LEU 1 HD11 LEU 1 -7.457 -13.165 -1.916 9 HD12 LEU 1 HD12 LEU 1 -6.512 -11.688 -2.226 10 HD13 LEU 1 HD13 LEU 1 -5.688 -13.183 -1.719 11 HD21 LEU 1 HD21 LEU 1 -8.799 -11.563 0.119 12 HD22 LEU 1 HD22 LEU 1 -7.613 -10.528 0.950 13 HD23 LEU 1 HD23 LEU 1 -7.804 -10.420 -0.816 14 H GLU 2 H GLU 2 -3.700 -13.525 -0.153 15 HA GLU 2 HA GLU 2 -2.581 -12.295 2.241 16 HB2 GLU 2 HB2 GLU 2 -0.974 -13.108 -0.201 17 HB3 GLU 2 HB3 GLU 2 -0.397 -12.817 1.428 18 HG2 GLU 2 HG2 GLU 2 -1.832 -14.817 2.175 19 HG3 GLU 2 HG3 GLU 2 -2.106 -15.159 0.478 20 H CYS 3 H CYS 3 -1.615 -10.186 2.082 21 HA CYS 3 HA CYS 3 -2.034 -8.838 -0.469 22 HB2 CYS 3 HB2 CYS 3 -2.837 -7.557 2.141 23 HB3 CYS 3 HB3 CYS 3 -3.102 -6.960 0.516 24 H HIS 4 H HIS 4 -0.358 -7.364 -0.936 25 HA HIS 4 HA HIS 4 2.015 -7.659 0.501 26 HB2 HIS 4 HB2 HIS 4 1.065 -5.912 -1.741 27 HB3 HIS 4 HB3 HIS 4 2.587 -5.529 -0.963 28 HD1 HIS 4 HD1 HIS 4 4.575 -7.201 -1.284 29 HD2 HIS 4 HD2 HIS 4 1.059 -8.271 -3.306 30 HE1 HIS 4 HE1 HIS 4 5.227 -9.041 -2.927 31 HE2 HIS 4 HE2 HIS 4 3.016 -9.696 -4.101 32 H ASN 5 H ASN 5 3.063 -6.367 2.031 33 HA ASN 5 HA ASN 5 1.406 -4.197 3.057 34 HB2 ASN 5 HB2 ASN 5 2.047 -4.778 5.293 35 HB3 ASN 5 HB3 ASN 5 1.716 -6.320 4.530 36 HD21 ASN 5 HD21 ASN 5 3.128 -7.826 4.932 37 HD22 ASN 5 HD22 ASN 5 4.825 -7.636 5.219 38 H GLN 6 H GLN 6 3.937 -4.690 1.127 39 HA GLN 6 HA GLN 6 6.080 -3.460 2.433 40 HB2 GLN 6 HB2 GLN 6 6.808 -3.086 -0.078 41 HB3 GLN 6 HB3 GLN 6 6.746 -4.707 0.582 42 HG2 GLN 6 HG2 GLN 6 4.835 -5.287 -0.622 43 HG3 GLN 6 HG3 GLN 6 4.209 -3.650 -0.635 44 HE21 GLN 6 HE21 GLN 6 5.282 -5.976 -2.559 45 HE22 GLN 6 HE22 GLN 6 6.010 -5.088 -3.855 46 H GLN 7 H GLN 7 6.836 -1.295 2.402 47 HA GLN 7 HA GLN 7 4.790 0.592 1.547 48 HB2 GLN 7 HB2 GLN 7 5.088 0.997 3.824 49 HB3 GLN 7 HB3 GLN 7 6.783 0.553 3.798 50 HG2 GLN 7 HG2 GLN 7 7.309 2.652 2.531 51 HG3 GLN 7 HG3 GLN 7 5.614 3.097 2.572 52 HE21 GLN 7 HE21 GLN 7 6.680 5.010 3.585 53 HE22 GLN 7 HE22 GLN 7 6.856 5.035 5.308 54 H SER 8 H SER 8 5.600 2.728 0.667 55 HA SER 8 HA SER 8 6.556 3.590 -1.133 56 HB2 SER 8 HB2 SER 8 9.115 3.133 0.452 57 HB3 SER 8 HB3 SER 8 8.769 4.457 -0.642 58 HG SER 8 HG SER 8 8.413 5.296 1.395 59 H SER 9 H SER 9 9.720 2.845 -1.352 60 HA SER 9 HA SER 9 9.186 0.842 -3.357 61 HB2 SER 9 HB2 SER 9 11.801 2.281 -2.734 62 HB3 SER 9 HB3 SER 9 11.443 1.349 -4.174 63 HG SER 9 HG SER 9 9.498 3.241 -3.872 64 H GLN 10 H GLN 10 9.803 0.856 -0.092 65 HA GLN 10 HA GLN 10 11.939 -0.667 0.413 66 HB2 GLN 10 HB2 GLN 10 9.244 -1.201 1.720 67 HB3 GLN 10 HB3 GLN 10 10.832 -1.366 2.443 68 HG2 GLN 10 HG2 GLN 10 9.229 1.115 1.920 69 HG3 GLN 10 HG3 GLN 10 10.244 0.716 3.292 70 HE21 GLN 10 HE21 GLN 10 12.557 0.752 3.024 71 HE22 GLN 10 HE22 GLN 10 13.297 1.851 1.909 72 HA PRO 11 HA PRO 11 11.707 -4.783 -1.009 73 HB2 PRO 11 HB2 PRO 11 11.434 -5.707 1.828 74 HB3 PRO 11 HB3 PRO 11 12.646 -6.170 0.575 75 HG2 PRO 11 HG2 PRO 11 13.306 -4.531 2.544 76 HG3 PRO 11 HG3 PRO 11 13.839 -4.196 0.854 77 HD2 PRO 11 HD2 PRO 11 11.577 -2.994 2.423 78 HD3 PRO 11 HD3 PRO 11 12.799 -2.189 1.369 79 HA PRO 12 HA PRO 12 7.308 -5.520 -1.273 80 HB2 PRO 12 HB2 PRO 12 8.363 -8.033 -2.517 81 HB3 PRO 12 HB3 PRO 12 7.156 -6.852 -3.150 82 HG2 PRO 12 HG2 PRO 12 9.624 -6.893 -4.102 83 HG3 PRO 12 HG3 PRO 12 8.807 -5.327 -3.739 84 HD2 PRO 12 HD2 PRO 12 10.845 -6.840 -2.135 85 HD3 PRO 12 HD3 PRO 12 10.753 -5.077 -2.505 86 H THR 13 H THR 13 6.024 -6.404 0.377 87 HA THR 13 HA THR 13 6.844 -9.001 1.475 88 HB THR 13 HB THR 13 6.047 -7.894 3.738 89 HG1 THR 13 HG1 THR 13 6.575 -5.513 3.513 90 HG21 THR 13 HG21 THR 13 8.640 -7.046 2.344 91 HG22 THR 13 HG22 THR 13 8.305 -6.777 4.071 92 HG23 THR 13 HG23 THR 13 8.432 -8.435 3.436 93 H THR 14 H THR 14 4.944 -9.801 3.008 94 HA THR 14 HA THR 14 2.361 -9.033 1.911 95 HB THR 14 HB THR 14 1.996 -11.624 1.557 96 HG1 THR 14 HG1 THR 14 4.001 -12.353 2.402 97 HG21 THR 14 HG21 THR 14 2.058 -10.174 -0.419 98 HG22 THR 14 HG22 THR 14 3.817 -9.957 -0.255 99 HG23 THR 14 HG23 THR 14 3.156 -11.543 -0.718 100 H LYS 15 H LYS 15 0.544 -9.894 3.159 101 HA LYS 15 HA LYS 15 1.256 -11.056 5.713 102 HB2 LYS 15 HB2 LYS 15 1.556 -8.740 6.246 103 HB3 LYS 15 HB3 LYS 15 0.067 -8.286 5.443 104 HG2 LYS 15 HG2 LYS 15 -0.535 -8.342 7.738 105 HG3 LYS 15 HG3 LYS 15 -1.136 -9.867 7.118 106 HD2 LYS 15 HD2 LYS 15 0.513 -11.129 8.200 107 HD3 LYS 15 HD3 LYS 15 1.681 -9.823 8.183 108 HE2 LYS 15 HE2 LYS 15 0.252 -8.597 9.891 109 HE3 LYS 15 HE3 LYS 15 -0.791 -10.004 9.970 110 HZ1 LYS 15 HZ1 LYS 15 1.202 -9.743 11.571 111 HZ2 LYS 15 HZ2 LYS 15 0.813 -11.218 10.988 112 HZ3 LYS 15 HZ3 LYS 15 2.063 -10.388 10.343 113 H THR 16 H THR 16 -0.548 -12.074 6.756 114 HA THR 16 HA THR 16 -2.566 -12.876 4.871 115 HB THR 16 HB THR 16 -2.425 -13.584 7.829 116 HG1 THR 16 HG1 THR 16 -0.377 -14.247 7.307 117 HG21 THR 16 HG21 THR 16 -4.114 -14.919 6.915 118 HG22 THR 16 HG22 THR 16 -3.436 -14.823 5.272 119 HG23 THR 16 HG23 THR 16 -2.706 -15.914 6.474 120 H CYS 17 H CYS 17 -4.588 -12.134 4.622 121 HA CYS 17 HA CYS 17 -5.328 -9.858 6.197 122 HB2 CYS 17 HB2 CYS 17 -7.080 -11.190 4.149 123 HB3 CYS 17 HB3 CYS 17 -7.053 -9.511 4.652 124 H SER 18 H SER 18 -6.525 -9.989 8.067 125 HA SER 18 HA SER 18 -7.816 -12.540 8.578 126 HB2 SER 18 HB2 SER 18 -7.438 -10.368 10.652 127 HB3 SER 18 HB3 SER 18 -7.574 -12.098 10.893 128 HG SER 18 HG SER 18 -5.380 -11.406 11.157 129 H GLY 19 H GLY 19 -10.006 -12.629 8.253 130 HA2 GLY 19 HA2 GLY 19 -12.186 -12.024 8.422 131 HA3 GLY 19 HA3 GLY 19 -11.719 -10.532 9.213 132 H GLU 20 H GLU 20 -9.708 -10.386 6.668 133 HA GLU 20 HA GLU 20 -11.700 -8.984 5.080 134 HB2 GLU 20 HB2 GLU 20 -8.692 -8.677 4.806 135 HB3 GLU 20 HB3 GLU 20 -9.945 -7.556 4.309 136 HG2 GLU 20 HG2 GLU 20 -10.475 -6.978 6.600 137 HG3 GLU 20 HG3 GLU 20 -9.537 -8.317 7.231 138 H THR 21 H THR 21 -11.466 -9.080 2.664 139 HA THR 21 HA THR 21 -10.080 -11.489 1.738 140 HB THR 21 HB THR 21 -12.274 -11.900 0.371 141 HG1 THR 21 HG1 THR 21 -13.967 -10.607 1.055 142 HG21 THR 21 HG21 THR 21 -13.464 -12.947 2.355 143 HG22 THR 21 HG22 THR 21 -11.751 -13.419 2.240 144 HG23 THR 21 HG23 THR 21 -12.257 -12.187 3.421 145 H ASN 22 H ASN 22 -9.891 -8.367 1.646 146 HA ASN 22 HA ASN 22 -9.504 -8.360 -1.235 147 HB2 ASN 22 HB2 ASN 22 -10.658 -6.073 0.448 148 HB3 ASN 22 HB3 ASN 22 -10.224 -5.931 -1.244 149 HD21 ASN 22 HD21 ASN 22 -12.352 -7.468 1.078 150 HD22 ASN 22 HD22 ASN 22 -13.620 -7.917 -0.012 151 H CYS 23 H CYS 23 -7.769 -6.769 -1.897 152 HA CYS 23 HA CYS 23 -6.008 -6.148 0.363 153 HB2 CYS 23 HB2 CYS 23 -5.170 -6.788 -2.472 154 HB3 CYS 23 HB3 CYS 23 -4.112 -6.457 -1.115 155 H TYR 24 H TYR 24 -5.230 -4.011 0.471 156 HA TYR 24 HA TYR 24 -6.205 -2.228 -1.659 157 HB2 TYR 24 HB2 TYR 24 -6.620 -0.658 0.140 158 HB3 TYR 24 HB3 TYR 24 -7.121 -2.194 0.820 159 HD1 TYR 24 HD2 TYR 24 -4.522 0.420 0.870 160 HD2 TYR 24 HD1 TYR 24 -5.864 -3.249 2.615 161 HE1 TYR 24 HE2 TYR 24 -2.911 0.745 2.810 162 HE2 TYR 24 HE1 TYR 24 -4.248 -2.911 4.549 163 HH TYR 24 HH TYR 24 -3.167 -0.779 5.639 164 H LYS 25 H LYS 25 -4.848 -0.429 -2.262 165 HA LYS 25 HA LYS 25 -2.102 -0.595 -1.274 166 HB2 LYS 25 HB2 LYS 25 -2.014 -1.927 -3.254 167 HB3 LYS 25 HB3 LYS 25 -2.971 -0.777 -4.166 168 HG2 LYS 25 HG2 LYS 25 -1.150 0.930 -3.911 169 HG3 LYS 25 HG3 LYS 25 -0.191 -0.234 -3.018 170 HD2 LYS 25 HD2 LYS 25 0.455 -0.104 -5.440 171 HD3 LYS 25 HD3 LYS 25 -0.044 -1.714 -4.959 172 HE2 LYS 25 HE2 LYS 25 -2.134 0.172 -6.063 173 HE3 LYS 25 HE3 LYS 25 -1.012 -0.577 -7.181 174 HZ1 LYS 25 HZ1 LYS 25 -2.077 -2.423 -5.305 175 HZ2 LYS 25 HZ2 LYS 25 -3.242 -1.717 -6.207 176 HZ3 LYS 25 HZ3 LYS 25 -2.018 -2.516 -6.935 177 H LYS 26 H LYS 26 -1.575 1.362 -0.480 178 HA LYS 26 HA LYS 26 -2.927 3.675 -1.679 179 HB2 LYS 26 HB2 LYS 26 -3.350 3.091 0.766 180 HB3 LYS 26 HB3 LYS 26 -1.683 3.531 1.075 181 HG2 LYS 26 HG2 LYS 26 -2.280 5.762 -0.202 182 HG3 LYS 26 HG3 LYS 26 -3.945 5.301 0.092 183 HD2 LYS 26 HD2 LYS 26 -1.834 6.157 2.045 184 HD3 LYS 26 HD3 LYS 26 -3.545 6.535 2.022 185 HE2 LYS 26 HE2 LYS 26 -2.253 3.918 2.911 186 HE3 LYS 26 HE3 LYS 26 -3.130 5.057 3.913 187 HZ1 LYS 26 HZ1 LYS 26 -4.194 2.932 2.647 188 HZ2 LYS 26 HZ2 LYS 26 -5.041 4.175 3.283 189 HZ3 LYS 26 HZ3 LYS 26 -4.659 4.174 1.695 190 H TRP 27 H TRP 27 -1.710 5.457 -2.368 191 HA TRP 27 HA TRP 27 1.108 5.537 -1.890 192 HB2 TRP 27 HB2 TRP 27 1.906 5.196 -4.084 193 HB3 TRP 27 HB3 TRP 27 0.938 3.798 -3.660 194 HD1 TRP 27 HD1 TRP 27 1.059 6.666 -6.168 195 HE1 TRP 27 HE1 TRP 27 -0.790 6.419 -8.035 196 HE3 TRP 27 HE3 TRP 27 -1.450 2.858 -3.918 197 HZ2 TRP 27 HZ2 TRP 27 -3.044 4.697 -8.354 198 HZ3 TRP 27 HZ3 TRP 27 -3.465 1.952 -5.074 199 HH2 TRP 27 HH2 TRP 27 -4.270 2.810 -7.216 200 H TRP 28 H TRP 28 1.896 7.655 -2.327 201 HA TRP 28 HA TRP 28 0.305 9.480 -3.854 202 HB2 TRP 28 HB2 TRP 28 -0.237 11.016 -2.089 203 HB3 TRP 28 HB3 TRP 28 -0.984 9.461 -1.783 204 HD1 TRP 28 HD1 TRP 28 1.392 11.941 -0.200 205 HE1 TRP 28 HE1 TRP 28 2.226 11.154 2.177 206 HE3 TRP 28 HE3 TRP 28 -0.394 7.194 -0.565 207 HZ2 TRP 28 HZ2 TRP 28 2.049 8.690 3.605 208 HZ3 TRP 28 HZ3 TRP 28 -0.021 5.661 1.365 209 HH2 TRP 28 HH2 TRP 28 1.153 6.341 3.398 210 H SER 29 H SER 29 1.427 11.775 -3.616 211 HA SER 29 HA SER 29 4.277 11.206 -3.527 212 HB2 SER 29 HB2 SER 29 4.558 13.122 -5.013 213 HB3 SER 29 HB3 SER 29 3.340 12.054 -5.680 214 HG SER 29 HG SER 29 1.727 13.489 -5.193 215 H ASP 30 H ASP 30 5.728 12.837 -2.535 216 HA ASP 30 HA ASP 30 4.386 14.754 -0.847 217 HB2 ASP 30 HB2 ASP 30 4.815 12.499 0.390 218 HB3 ASP 30 HB3 ASP 30 6.518 12.902 0.292 219 H HIS 31 H HIS 31 6.194 16.200 0.258 220 HA HIS 31 HA HIS 31 7.950 17.039 -1.771 221 HB2 HIS 31 HB2 HIS 31 8.057 17.822 1.147 222 HB3 HIS 31 HB3 HIS 31 8.621 18.743 -0.233 223 HD1 HIS 31 HD1 HIS 31 5.493 17.422 -1.324 224 HD2 HIS 31 HD2 HIS 31 6.607 20.513 1.284 225 HE1 HIS 31 HE1 HIS 31 3.462 18.953 -1.121 226 HE2 HIS 31 HE2 HIS 31 4.188 20.802 0.536 227 H ARG 32 H ARG 32 8.095 14.435 0.411 228 HA ARG 32 HA ARG 32 10.989 14.563 0.505 229 HB2 ARG 32 HB2 ARG 32 9.597 14.110 2.616 230 HB3 ARG 32 HB3 ARG 32 9.141 12.573 1.909 231 HG2 ARG 32 HG2 ARG 32 11.558 11.932 1.751 232 HG3 ARG 32 HG3 ARG 32 12.010 13.467 2.465 233 HD2 ARG 32 HD2 ARG 32 12.008 12.006 4.328 234 HD3 ARG 32 HD3 ARG 32 10.444 12.787 4.452 235 HE ARG 32 HE ARG 32 10.283 10.381 2.835 236 HH11 ARG 32 HH22 ARG 32 10.423 11.527 6.159 237 HH12 ARG 32 HH21 ARG 32 9.618 10.137 6.807 238 HH21 ARG 32 HH12 ARG 32 9.221 8.547 3.689 239 HH22 ARG 32 HH11 ARG 32 8.930 8.431 5.393 240 H GLY 33 H GLY 33 8.216 12.859 -0.886 241 HA2 GLY 33 HA2 GLY 33 9.346 11.753 -3.034 242 HA3 GLY 33 HA3 GLY 33 9.801 10.599 -1.797 243 H THR 34 H THR 34 8.347 9.302 -3.456 244 HA THR 34 HA THR 34 5.509 9.699 -3.006 245 HB THR 34 HB THR 34 7.245 7.882 -4.737 246 HG1 THR 34 HG1 THR 34 6.278 10.336 -4.912 247 HG21 THR 34 HG21 THR 34 5.486 6.395 -4.757 248 HG22 THR 34 HG22 THR 34 4.414 7.530 -3.902 249 HG23 THR 34 HG23 THR 34 4.625 7.662 -5.664 250 H ILE 35 H ILE 35 4.543 8.990 -1.218 251 HA ILE 35 HA ILE 35 5.773 6.785 0.213 252 HB ILE 35 HB ILE 35 3.458 8.591 0.923 253 HG12 ILE 35 HG12 ILE 35 6.408 8.710 1.574 254 HG13 ILE 35 HG13 ILE 35 5.421 9.929 0.792 255 HG21 ILE 35 HG21 ILE 35 3.299 6.435 2.051 256 HG22 ILE 35 HG22 ILE 35 4.981 6.589 2.614 257 HG23 ILE 35 HG23 ILE 35 3.739 7.722 3.199 258 HD11 ILE 35 HD11 ILE 35 5.771 10.582 3.118 259 HD12 ILE 35 HD12 ILE 35 4.061 10.136 2.911 260 HD13 ILE 35 HD13 ILE 35 5.189 9.000 3.690 261 H ILE 36 H ILE 36 4.965 4.726 0.313 262 HA ILE 36 HA ILE 36 2.349 4.307 -0.947 263 HB ILE 36 HB ILE 36 4.713 2.475 -1.311 264 HG12 ILE 36 HG12 ILE 36 3.743 4.662 -3.174 265 HG13 ILE 36 HG13 ILE 36 5.262 4.650 -2.300 266 HG21 ILE 36 HG21 ILE 36 3.327 1.123 -2.412 267 HG22 ILE 36 HG22 ILE 36 2.001 2.067 -1.692 268 HG23 ILE 36 HG23 ILE 36 2.599 2.469 -3.320 269 HD11 ILE 36 HD11 ILE 36 5.873 2.496 -3.481 270 HD12 ILE 36 HD12 ILE 36 4.389 2.668 -4.449 271 HD13 ILE 36 HD13 ILE 36 5.680 3.886 -4.576 272 H GLU 37 H GLU 37 0.942 3.271 0.364 273 HA GLU 37 HA GLU 37 2.122 1.608 2.446 274 HB2 GLU 37 HB2 GLU 37 1.142 3.994 3.108 275 HB3 GLU 37 HB3 GLU 37 -0.403 3.176 2.988 276 HG2 GLU 37 HG2 GLU 37 1.799 1.827 4.554 277 HG3 GLU 37 HG3 GLU 37 0.996 3.204 5.281 278 H ARG 38 H ARG 38 1.479 -0.473 2.118 279 HA ARG 38 HA ARG 38 -1.199 -0.811 1.024 280 HB2 ARG 38 HB2 ARG 38 1.177 -2.711 0.697 281 HB3 ARG 38 HB3 ARG 38 -0.391 -2.881 -0.065 282 HG2 ARG 38 HG2 ARG 38 0.084 -0.491 -1.064 283 HG3 ARG 38 HG3 ARG 38 1.751 -0.801 -0.618 284 HD2 ARG 38 HD2 ARG 38 1.369 -3.112 -1.884 285 HD3 ARG 38 HD3 ARG 38 0.030 -2.268 -2.636 286 HE ARG 38 HE ARG 38 1.584 -1.139 -3.949 287 HH11 ARG 38 HH22 ARG 38 3.156 -2.090 -0.949 288 HH12 ARG 38 HH21 ARG 38 4.704 -1.465 -1.412 289 HH21 ARG 38 HH12 ARG 38 3.625 -0.313 -4.561 290 HH22 ARG 38 HH11 ARG 38 4.972 -0.447 -3.481 291 H GLY 39 H GLY 39 -2.250 -2.965 1.684 292 HA2 GLY 39 HA2 GLY 39 -1.242 -4.497 3.823 293 HA3 GLY 39 HA3 GLY 39 -2.289 -3.245 4.463 294 H CYS 40 H CYS 40 -3.369 -5.521 5.037 295 HA CYS 40 HA CYS 40 -4.875 -6.607 2.845 296 HB2 CYS 40 HB2 CYS 40 -4.555 -7.277 5.750 297 HB3 CYS 40 HB3 CYS 40 -5.919 -7.920 4.857 298 H GLY 41 H GLY 41 -7.262 -6.592 2.802 299 HA2 GLY 41 HA2 GLY 41 -9.339 -5.831 3.527 300 HA3 GLY 41 HA3 GLY 41 -8.566 -4.643 4.557 301 H CYS 42 H CYS 42 -10.262 -3.209 3.475 302 HA CYS 42 HA CYS 42 -8.984 -1.935 1.208 303 HB2 CYS 42 HB2 CYS 42 -10.501 -3.404 0.085 304 HB3 CYS 42 HB3 CYS 42 -11.819 -2.974 1.157 305 HA PRO 43 HA PRO 43 -10.494 0.790 4.656 306 HB2 PRO 43 HB2 PRO 43 -8.172 2.233 4.754 307 HB3 PRO 43 HB3 PRO 43 -8.361 0.651 5.600 308 HG2 PRO 43 HG2 PRO 43 -7.124 1.251 2.932 309 HG3 PRO 43 HG3 PRO 43 -6.491 0.242 4.287 310 HD2 PRO 43 HD2 PRO 43 -7.719 -0.832 2.151 311 HD3 PRO 43 HD3 PRO 43 -7.919 -1.499 3.814 312 H LYS 44 H LYS 44 -10.293 3.367 4.678 313 HA LYS 44 HA LYS 44 -10.739 4.215 1.902 314 HB2 LYS 44 HB2 LYS 44 -12.384 5.730 2.675 315 HB3 LYS 44 HB3 LYS 44 -12.726 4.198 3.451 316 HG2 LYS 44 HG2 LYS 44 -11.758 4.930 5.547 317 HG3 LYS 44 HG3 LYS 44 -11.031 6.340 4.802 318 HD2 LYS 44 HD2 LYS 44 -12.930 7.279 5.810 319 HD3 LYS 44 HD3 LYS 44 -13.510 6.998 4.181 320 HE2 LYS 44 HE2 LYS 44 -13.844 4.836 6.283 321 HE3 LYS 44 HE3 LYS 44 -14.955 6.190 6.250 322 HZ1 LYS 44 HZ1 LYS 44 -14.563 4.113 4.266 323 HZ2 LYS 44 HZ2 LYS 44 -15.952 4.760 4.829 324 HZ3 LYS 44 HZ3 LYS 44 -15.048 5.582 3.745 325 H VAL 45 H VAL 45 -9.694 6.053 1.127 326 HA VAL 45 HA VAL 45 -7.694 7.162 2.975 327 HB VAL 45 HB VAL 45 -6.248 7.462 1.094 328 HG11 VAL 45 HG11 VAL 45 -7.452 4.674 1.082 329 HG12 VAL 45 HG12 VAL 45 -5.862 5.116 0.415 330 HG13 VAL 45 HG13 VAL 45 -6.168 5.270 2.161 331 HG21 VAL 45 HG21 VAL 45 -7.044 6.377 -1.156 332 HG22 VAL 45 HG22 VAL 45 -8.672 6.694 -0.511 333 HG23 VAL 45 HG23 VAL 45 -7.531 8.040 -0.747 334 H LYS 46 H LYS 46 -7.077 9.475 2.465 335 HA LYS 46 HA LYS 46 -9.526 10.952 2.027 336 HB2 LYS 46 HB2 LYS 46 -6.848 12.146 2.719 337 HB3 LYS 46 HB3 LYS 46 -8.452 12.755 3.076 338 HG2 LYS 46 HG2 LYS 46 -8.839 10.803 4.610 339 HG3 LYS 46 HG3 LYS 46 -7.220 10.224 4.268 340 HD2 LYS 46 HD2 LYS 46 -6.836 11.428 6.234 341 HD3 LYS 46 HD3 LYS 46 -6.474 12.652 5.033 342 HE2 LYS 46 HE2 LYS 46 -7.924 13.799 6.499 343 HE3 LYS 46 HE3 LYS 46 -9.011 13.296 5.219 344 HZ1 LYS 46 HZ1 LYS 46 -10.148 12.218 6.742 345 HZ2 LYS 46 HZ2 LYS 46 -8.885 11.224 7.027 346 HZ3 LYS 46 HZ3 LYS 46 -9.069 12.584 7.912 347 HA PRO 47 HA PRO 47 -8.938 12.598 -1.942 348 HB2 PRO 47 HB2 PRO 47 -8.505 15.298 -0.718 349 HB3 PRO 47 HB3 PRO 47 -9.700 14.775 -1.962 350 HG2 PRO 47 HG2 PRO 47 -10.460 15.207 0.534 351 HG3 PRO 47 HG3 PRO 47 -11.067 13.772 -0.374 352 HD2 PRO 47 HD2 PRO 47 -8.889 13.953 1.686 353 HD3 PRO 47 HD3 PRO 47 -10.209 12.737 1.514 354 H GLY 48 H GLY 48 -7.140 12.705 -3.349 355 HA2 GLY 48 HA2 GLY 48 -5.108 13.689 -4.028 356 HA3 GLY 48 HA3 GLY 48 -4.686 13.990 -2.353 357 H VAL 49 H VAL 49 -5.500 11.331 -1.339 358 HA VAL 49 HA VAL 49 -3.097 9.935 -2.088 359 HB VAL 49 HB VAL 49 -5.228 8.935 -0.221 360 HG11 VAL 49 HG11 VAL 49 -3.104 8.205 1.025 361 HG12 VAL 49 HG12 VAL 49 -3.491 7.366 -0.496 362 HG13 VAL 49 HG13 VAL 49 -2.230 8.622 -0.469 363 HG21 VAL 49 HG21 VAL 49 -5.104 10.841 0.955 364 HG22 VAL 49 HG22 VAL 49 -3.463 10.317 1.401 365 HG23 VAL 49 HG23 VAL 49 -3.701 11.425 0.029 366 H ASN 50 H ASN 50 -2.987 7.858 -3.059 367 HA ASN 50 HA ASN 50 -5.337 7.308 -4.657 368 HB2 ASN 50 HB2 ASN 50 -2.392 6.560 -4.860 369 HB3 ASN 50 HB3 ASN 50 -3.585 5.670 -5.785 370 HD21 ASN 50 HD21 ASN 50 -1.781 8.557 -5.451 371 HD22 ASN 50 HD22 ASN 50 -2.351 9.407 -6.849 372 H LEU 51 H LEU 51 -6.345 5.201 -4.597 373 HA LEU 51 HA LEU 51 -5.177 3.230 -2.802 374 HB2 LEU 51 HB2 LEU 51 -6.563 4.444 -1.308 375 HB3 LEU 51 HB3 LEU 51 -7.887 4.499 -2.455 376 HG LEU 51 HG LEU 51 -8.229 2.083 -2.223 377 HD11 LEU 51 HD11 LEU 51 -6.820 1.327 0.044 378 HD12 LEU 51 HD12 LEU 51 -6.491 0.825 -1.631 379 HD13 LEU 51 HD13 LEU 51 -5.621 2.211 -0.930 380 HD21 LEU 51 HD21 LEU 51 -9.632 2.538 -0.568 381 HD22 LEU 51 HD22 LEU 51 -8.295 2.598 0.606 382 HD23 LEU 51 HD23 LEU 51 -8.760 4.065 -0.289 383 H ASN 52 H ASN 52 -5.617 1.103 -3.412 384 HA ASN 52 HA ASN 52 -7.477 0.811 -5.620 385 HB2 ASN 52 HB2 ASN 52 -5.381 0.868 -6.795 386 HB3 ASN 52 HB3 ASN 52 -4.549 -0.023 -5.536 387 HD21 ASN 52 HD21 ASN 52 -6.956 -0.219 -8.095 388 HD22 ASN 52 HD22 ASN 52 -6.839 -1.919 -8.403 389 H CYS 53 H CYS 53 -8.915 -0.807 -4.995 390 HA CYS 53 HA CYS 53 -7.909 -2.790 -3.091 391 HB2 CYS 53 HB2 CYS 53 -10.758 -1.903 -3.589 392 HB3 CYS 53 HB3 CYS 53 -10.250 -3.120 -2.435 393 H CYS 54 H CYS 54 -8.354 -5.037 -3.534 394 HA CYS 54 HA CYS 54 -9.767 -5.676 -5.955 395 HB2 CYS 54 HB2 CYS 54 -7.727 -7.129 -6.666 396 HB3 CYS 54 HB3 CYS 54 -7.835 -5.445 -7.140 397 H ARG 55 H ARG 55 -9.925 -8.164 -6.130 398 HA ARG 55 HA ARG 55 -9.829 -9.233 -3.426 399 HB2 ARG 55 HB2 ARG 55 -11.653 -9.951 -5.776 400 HB3 ARG 55 HB3 ARG 55 -11.650 -10.813 -4.250 401 HG2 ARG 55 HG2 ARG 55 -12.641 -9.053 -3.082 402 HG3 ARG 55 HG3 ARG 55 -11.941 -7.823 -4.115 403 HD2 ARG 55 HD2 ARG 55 -14.484 -8.208 -4.352 404 HD3 ARG 55 HD3 ARG 55 -13.562 -8.171 -5.841 405 HE ARG 55 HE ARG 55 -13.635 -10.874 -4.925 406 HH11 ARG 55 HH22 ARG 55 -15.812 -8.424 -6.204 407 HH12 ARG 55 HH21 ARG 55 -16.900 -9.574 -6.906 408 HH21 ARG 55 HH12 ARG 55 -15.070 -12.392 -5.850 409 HH22 ARG 55 HH11 ARG 55 -16.476 -11.847 -6.703 410 H THR 56 H THR 56 -7.440 -9.328 -4.827 411 HA THR 56 HA THR 56 -7.262 -12.181 -5.494 412 HB THR 56 HB THR 56 -5.501 -11.244 -7.263 413 HG1 THR 56 HG1 THR 56 -7.489 -9.136 -7.246 414 HG21 THR 56 HG21 THR 56 -7.568 -12.398 -8.006 415 HG22 THR 56 HG22 THR 56 -8.527 -10.943 -7.644 416 HG23 THR 56 HG23 THR 56 -7.333 -10.916 -8.964 417 H ASP 57 H ASP 57 -5.366 -13.222 -4.865 418 HA ASP 57 HA ASP 57 -4.197 -12.201 -2.595 419 HB2 ASP 57 HB2 ASP 57 -3.143 -14.308 -4.541 420 HB3 ASP 57 HB3 ASP 57 -2.521 -14.061 -2.922 421 H ARG 58 H ARG 58 -2.155 -11.139 -2.240 422 HA ARG 58 HA ARG 58 -0.676 -9.612 -2.745 423 HB2 ARG 58 HB2 ARG 58 0.311 -11.487 -4.931 424 HB3 ARG 58 HB3 ARG 58 1.269 -10.484 -3.861 425 HG2 ARG 58 HG2 ARG 58 0.199 -11.935 -1.931 426 HG3 ARG 58 HG3 ARG 58 -0.198 -13.061 -3.214 427 HD2 ARG 58 HD2 ARG 58 2.100 -13.440 -3.764 428 HD3 ARG 58 HD3 ARG 58 2.633 -11.988 -2.939 429 HE ARG 58 HE ARG 58 1.346 -13.746 -1.055 430 HH11 ARG 58 HH22 ARG 58 4.319 -13.411 -2.907 431 HH12 ARG 58 HH21 ARG 58 5.274 -14.316 -1.780 432 HH21 ARG 58 HH12 ARG 58 2.605 -14.939 0.433 433 HH22 ARG 58 HH11 ARG 58 4.292 -15.191 0.132 434 H CYS 59 H CYS 59 -3.130 -9.123 -4.155 435 HA CYS 59 HA CYS 59 -2.412 -8.507 -6.874 436 HB2 CYS 59 HB2 CYS 59 -4.686 -7.890 -7.181 437 HB3 CYS 59 HB3 CYS 59 -4.643 -9.395 -6.285 438 H ASN 60 H ASN 60 -2.478 -7.048 -3.679 439 HA ASN 60 HA ASN 60 -2.428 -4.390 -4.798 440 HB2 ASN 60 HB2 ASN 60 -2.550 -3.632 -2.456 441 HB3 ASN 60 HB3 ASN 60 -3.756 -4.878 -2.710 442 HD21 ASN 60 HD21 ASN 60 -2.157 -3.885 -0.348 443 HD22 ASN 60 HD22 ASN 60 -1.492 -5.302 0.393 444 H ASN 61 H ASN 61 -0.228 -5.809 -5.693 445 HA ASN 61 HA ASN 61 1.923 -5.894 -3.951 446 HB2 ASN 61 HB2 ASN 61 2.100 -5.418 -6.966 447 HB3 ASN 61 HB3 ASN 61 3.276 -6.234 -5.956 448 HD21 ASN 61 HD21 ASN 61 0.179 -6.419 -7.528 449 HD22 ASN 61 HD22 ASN 61 -0.079 -8.125 -7.384 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 -5.339 -15.662 2.514 2 H2 LEU 1 H2 LEU 1 -6.710 -15.989 1.645 3 H3 LEU 1 H3 LEU 1 -6.738 -14.834 2.831 4 HA LEU 1 HA LEU 1 -5.462 -14.770 0.233 5 HB2 LEU 1 HB2 LEU 1 -7.717 -14.047 0.203 6 HB3 LEU 1 HB3 LEU 1 -7.511 -13.074 1.645 7 HG LEU 1 HG LEU 1 -5.783 -11.743 0.195 8 HD11 LEU 1 HD11 LEU 1 -7.408 -13.167 -1.923 9 HD12 LEU 1 HD12 LEU 1 -6.476 -11.679 -2.214 10 HD13 LEU 1 HD13 LEU 1 -5.641 -13.168 -1.712 11 HD21 LEU 1 HD21 LEU 1 -8.781 -11.597 0.133 12 HD22 LEU 1 HD22 LEU 1 -7.605 -10.541 0.950 13 HD23 LEU 1 HD23 LEU 1 -7.807 -10.448 -0.816 14 H GLU 2 H GLU 2 -3.670 -13.491 -0.139 15 HA GLU 2 HA GLU 2 -2.584 -12.259 2.271 16 HB2 GLU 2 HB2 GLU 2 -1.067 -13.268 -0.175 17 HB3 GLU 2 HB3 GLU 2 -0.350 -12.630 1.291 18 HG2 GLU 2 HG2 GLU 2 -1.112 -14.497 2.609 19 HG3 GLU 2 HG3 GLU 2 -2.232 -15.021 1.367 20 H CYS 3 H CYS 3 -1.616 -10.146 2.110 21 HA CYS 3 HA CYS 3 -2.032 -8.807 -0.447 22 HB2 CYS 3 HB2 CYS 3 -2.842 -7.522 2.159 23 HB3 CYS 3 HB3 CYS 3 -3.105 -6.928 0.531 24 H HIS 4 H HIS 4 -0.362 -7.325 -0.914 25 HA HIS 4 HA HIS 4 2.015 -7.615 0.512 26 HB2 HIS 4 HB2 HIS 4 1.044 -5.857 -1.712 27 HB3 HIS 4 HB3 HIS 4 2.563 -5.461 -0.934 28 HD1 HIS 4 HD1 HIS 4 4.567 -7.121 -1.257 29 HD2 HIS 4 HD2 HIS 4 1.068 -8.192 -3.307 30 HE1 HIS 4 HE1 HIS 4 5.239 -8.938 -2.917 31 HE2 HIS 4 HE2 HIS 4 3.038 -9.594 -4.109 32 H ASN 5 H ASN 5 3.015 -6.399 2.110 33 HA ASN 5 HA ASN 5 1.380 -4.210 3.131 34 HB2 ASN 5 HB2 ASN 5 1.973 -4.833 5.365 35 HB3 ASN 5 HB3 ASN 5 1.656 -6.364 4.574 36 HD21 ASN 5 HD21 ASN 5 3.531 -5.165 6.764 37 HD22 ASN 5 HD22 ASN 5 5.059 -5.924 6.465 38 H GLN 6 H GLN 6 3.840 -4.578 1.166 39 HA GLN 6 HA GLN 6 5.991 -3.384 2.559 40 HB2 GLN 6 HB2 GLN 6 6.846 -3.101 0.097 41 HB3 GLN 6 HB3 GLN 6 6.695 -4.714 0.764 42 HG2 GLN 6 HG2 GLN 6 4.856 -5.250 -0.555 43 HG3 GLN 6 HG3 GLN 6 4.253 -3.604 -0.581 44 HE21 GLN 6 HE21 GLN 6 5.275 -5.888 -2.522 45 HE22 GLN 6 HE22 GLN 6 6.114 -5.010 -3.756 46 H GLN 7 H GLN 7 6.752 -1.217 2.462 47 HA GLN 7 HA GLN 7 4.719 0.630 1.494 48 HB2 GLN 7 HB2 GLN 7 6.147 2.238 3.058 49 HB3 GLN 7 HB3 GLN 7 4.942 1.163 3.739 50 HG2 GLN 7 HG2 GLN 7 6.563 -0.378 4.529 51 HG3 GLN 7 HG3 GLN 7 7.787 0.176 3.403 52 HE21 GLN 7 HE21 GLN 7 8.145 2.689 3.625 53 HE22 GLN 7 HE22 GLN 7 8.487 3.240 5.231 54 H SER 8 H SER 8 5.562 2.758 0.594 55 HA SER 8 HA SER 8 6.558 3.579 -1.203 56 HB2 SER 8 HB2 SER 8 9.112 3.120 0.383 57 HB3 SER 8 HB3 SER 8 8.742 4.459 -0.686 58 HG SER 8 HG SER 8 8.252 5.391 1.211 59 H SER 9 H SER 9 9.698 2.832 -1.426 60 HA SER 9 HA SER 9 9.165 0.777 -3.372 61 HB2 SER 9 HB2 SER 9 11.524 1.223 -4.091 62 HB3 SER 9 HB3 SER 9 10.518 2.658 -4.114 63 HG SER 9 HG SER 9 12.472 1.912 -2.116 64 H GLN 10 H GLN 10 9.732 0.831 -0.113 65 HA GLN 10 HA GLN 10 11.871 -0.663 0.457 66 HB2 GLN 10 HB2 GLN 10 9.135 -1.171 1.695 67 HB3 GLN 10 HB3 GLN 10 10.697 -1.393 2.458 68 HG2 GLN 10 HG2 GLN 10 9.336 1.217 1.700 69 HG3 GLN 10 HG3 GLN 10 9.879 0.703 3.285 70 HE21 GLN 10 HE21 GLN 10 10.485 3.111 1.757 71 HE22 GLN 10 HE22 GLN 10 12.207 3.201 1.590 72 HA PRO 11 HA PRO 11 11.719 -4.796 -0.927 73 HB2 PRO 11 HB2 PRO 11 11.391 -5.694 1.912 74 HB3 PRO 11 HB3 PRO 11 12.637 -6.155 0.693 75 HG2 PRO 11 HG2 PRO 11 13.232 -4.489 2.659 76 HG3 PRO 11 HG3 PRO 11 13.801 -4.164 0.979 77 HD2 PRO 11 HD2 PRO 11 11.489 -2.974 2.482 78 HD3 PRO 11 HD3 PRO 11 12.726 -2.165 1.448 79 HA PRO 12 HA PRO 12 7.331 -5.572 -1.280 80 HB2 PRO 12 HB2 PRO 12 8.438 -8.071 -2.506 81 HB3 PRO 12 HB3 PRO 12 7.230 -6.903 -3.160 82 HG2 PRO 12 HG2 PRO 12 9.716 -6.915 -4.065 83 HG3 PRO 12 HG3 PRO 12 8.874 -5.358 -3.717 84 HD2 PRO 12 HD2 PRO 12 10.899 -6.850 -2.075 85 HD3 PRO 12 HD3 PRO 12 10.793 -5.088 -2.445 86 H THR 13 H THR 13 6.058 -6.437 0.387 87 HA THR 13 HA THR 13 6.848 -9.053 1.462 88 HB THR 13 HB THR 13 6.082 -7.953 3.739 89 HG1 THR 13 HG1 THR 13 5.417 -6.003 2.361 90 HG21 THR 13 HG21 THR 13 8.358 -6.875 4.068 91 HG22 THR 13 HG22 THR 13 8.458 -8.527 3.415 92 HG23 THR 13 HG23 THR 13 8.678 -7.129 2.336 93 H THR 14 H THR 14 4.953 -9.859 2.980 94 HA THR 14 HA THR 14 2.370 -9.032 1.921 95 HB THR 14 HB THR 14 1.968 -11.612 1.526 96 HG1 THR 14 HG1 THR 14 3.872 -12.638 2.018 97 HG21 THR 14 HG21 THR 14 2.025 -10.149 -0.432 98 HG22 THR 14 HG22 THR 14 3.783 -9.923 -0.269 99 HG23 THR 14 HG23 THR 14 3.130 -11.506 -0.755 100 H LYS 15 H LYS 15 0.549 -9.917 3.161 101 HA LYS 15 HA LYS 15 1.271 -11.115 5.695 102 HB2 LYS 15 HB2 LYS 15 1.440 -8.518 5.816 103 HB3 LYS 15 HB3 LYS 15 -0.311 -8.553 5.775 104 HG2 LYS 15 HG2 LYS 15 -0.478 -9.707 7.832 105 HG3 LYS 15 HG3 LYS 15 1.140 -10.371 7.711 106 HD2 LYS 15 HD2 LYS 15 0.757 -7.369 7.930 107 HD3 LYS 15 HD3 LYS 15 0.666 -8.364 9.370 108 HE2 LYS 15 HE2 LYS 15 2.943 -9.356 8.700 109 HE3 LYS 15 HE3 LYS 15 3.031 -8.125 7.456 110 HZ1 LYS 15 HZ1 LYS 15 2.711 -7.589 10.328 111 HZ2 LYS 15 HZ2 LYS 15 4.103 -7.436 9.487 112 HZ3 LYS 15 HZ3 LYS 15 2.839 -6.455 9.159 113 H THR 16 H THR 16 -0.535 -12.135 6.737 114 HA THR 16 HA THR 16 -2.565 -12.906 4.852 115 HB THR 16 HB THR 16 -2.408 -13.638 7.805 116 HG1 THR 16 HG1 THR 16 -0.981 -14.859 5.568 117 HG21 THR 16 HG21 THR 16 -2.732 -15.954 6.432 118 HG22 THR 16 HG22 THR 16 -4.122 -14.949 6.905 119 HG23 THR 16 HG23 THR 16 -3.469 -14.842 5.253 120 H CYS 17 H CYS 17 -4.585 -12.155 4.617 121 HA CYS 17 HA CYS 17 -5.307 -9.886 6.212 122 HB2 CYS 17 HB2 CYS 17 -7.069 -11.194 4.156 123 HB3 CYS 17 HB3 CYS 17 -7.038 -9.520 4.675 124 H SER 18 H SER 18 -6.503 -10.024 8.082 125 HA SER 18 HA SER 18 -7.802 -12.573 8.580 126 HB2 SER 18 HB2 SER 18 -7.843 -11.759 10.983 127 HB3 SER 18 HB3 SER 18 -6.240 -11.997 10.316 128 HG SER 18 HG SER 18 -5.910 -9.799 10.173 129 H GLY 19 H GLY 19 -9.993 -12.652 8.256 130 HA2 GLY 19 HA2 GLY 19 -12.171 -12.041 8.443 131 HA3 GLY 19 HA3 GLY 19 -11.694 -10.548 9.226 132 H GLU 20 H GLU 20 -9.693 -10.403 6.680 133 HA GLU 20 HA GLU 20 -11.690 -9.010 5.090 134 HB2 GLU 20 HB2 GLU 20 -8.684 -8.698 4.810 135 HB3 GLU 20 HB3 GLU 20 -9.940 -7.581 4.313 136 HG2 GLU 20 HG2 GLU 20 -10.454 -6.976 6.591 137 HG3 GLU 20 HG3 GLU 20 -9.553 -8.333 7.238 138 H THR 21 H THR 21 -11.451 -9.108 2.672 139 HA THR 21 HA THR 21 -10.063 -11.518 1.750 140 HB THR 21 HB THR 21 -12.257 -11.939 0.388 141 HG1 THR 21 HG1 THR 21 -13.442 -10.613 2.657 142 HG21 THR 21 HG21 THR 21 -12.234 -12.216 3.439 143 HG22 THR 21 HG22 THR 21 -13.445 -12.979 2.380 144 HG23 THR 21 HG23 THR 21 -11.733 -13.452 2.260 145 H ASN 22 H ASN 22 -9.887 -8.394 1.651 146 HA ASN 22 HA ASN 22 -9.497 -8.395 -1.230 147 HB2 ASN 22 HB2 ASN 22 -10.668 -6.108 0.442 148 HB3 ASN 22 HB3 ASN 22 -10.233 -5.971 -1.250 149 HD21 ASN 22 HD21 ASN 22 -12.358 -7.501 1.078 150 HD22 ASN 22 HD22 ASN 22 -13.621 -7.966 -0.012 151 H CYS 23 H CYS 23 -7.767 -6.804 -1.896 152 HA CYS 23 HA CYS 23 -6.014 -6.162 0.365 153 HB2 CYS 23 HB2 CYS 23 -5.173 -6.806 -2.468 154 HB3 CYS 23 HB3 CYS 23 -4.115 -6.458 -1.115 155 H TYR 24 H TYR 24 -5.225 -4.023 0.456 156 HA TYR 24 HA TYR 24 -6.211 -2.250 -1.677 157 HB2 TYR 24 HB2 TYR 24 -6.655 -0.680 0.113 158 HB3 TYR 24 HB3 TYR 24 -7.148 -2.218 0.794 159 HD1 TYR 24 HD1 TYR 24 -4.575 0.421 0.858 160 HD2 TYR 24 HD2 TYR 24 -5.894 -3.256 2.602 161 HE1 TYR 24 HE1 TYR 24 -2.983 0.767 2.810 162 HE2 TYR 24 HE2 TYR 24 -4.297 -2.898 4.548 163 HH TYR 24 HH TYR 24 -3.109 -1.272 5.622 164 H LYS 25 H LYS 25 -4.858 -0.453 -2.283 165 HA LYS 25 HA LYS 25 -2.129 -0.571 -1.253 166 HB2 LYS 25 HB2 LYS 25 -1.952 -1.944 -3.183 167 HB3 LYS 25 HB3 LYS 25 -2.952 -0.874 -4.144 168 HG2 LYS 25 HG2 LYS 25 -1.150 0.942 -3.751 169 HG3 LYS 25 HG3 LYS 25 -0.137 -0.336 -3.109 170 HD2 LYS 25 HD2 LYS 25 0.242 0.139 -5.568 171 HD3 LYS 25 HD3 LYS 25 -0.145 -1.534 -5.218 172 HE2 LYS 25 HE2 LYS 25 -2.428 0.339 -5.844 173 HE3 LYS 25 HE3 LYS 25 -1.404 -0.174 -7.170 174 HZ1 LYS 25 HZ1 LYS 25 -2.153 -2.260 -7.018 175 HZ2 LYS 25 HZ2 LYS 25 -2.253 -2.264 -5.388 176 HZ3 LYS 25 HZ3 LYS 25 -3.440 -1.581 -6.277 177 H LYS 26 H LYS 26 -1.657 1.410 -0.486 178 HA LYS 26 HA LYS 26 -2.994 3.676 -1.789 179 HB2 LYS 26 HB2 LYS 26 -3.720 3.511 0.469 180 HB3 LYS 26 HB3 LYS 26 -2.096 3.228 1.062 181 HG2 LYS 26 HG2 LYS 26 -1.426 5.526 0.335 182 HG3 LYS 26 HG3 LYS 26 -3.046 5.810 -0.270 183 HD2 LYS 26 HD2 LYS 26 -3.974 5.987 1.864 184 HD3 LYS 26 HD3 LYS 26 -2.806 4.898 2.585 185 HE2 LYS 26 HE2 LYS 26 -1.204 6.574 2.881 186 HE3 LYS 26 HE3 LYS 26 -1.753 7.500 1.498 187 HZ1 LYS 26 HZ1 LYS 26 -2.873 8.724 2.922 188 HZ2 LYS 26 HZ2 LYS 26 -3.847 7.458 3.261 189 HZ3 LYS 26 HZ3 LYS 26 -2.525 7.741 4.179 190 H TRP 27 H TRP 27 -1.768 5.483 -2.431 191 HA TRP 27 HA TRP 27 1.043 5.555 -1.882 192 HB2 TRP 27 HB2 TRP 27 1.871 5.265 -4.080 193 HB3 TRP 27 HB3 TRP 27 0.923 3.848 -3.675 194 HD1 TRP 27 HD1 TRP 27 1.008 6.746 -6.153 195 HE1 TRP 27 HE1 TRP 27 -0.820 6.481 -8.037 196 HE3 TRP 27 HE3 TRP 27 -1.437 2.861 -3.966 197 HZ2 TRP 27 HZ2 TRP 27 -3.034 4.715 -8.393 198 HZ3 TRP 27 HZ3 TRP 27 -3.423 1.925 -5.148 199 HH2 TRP 27 HH2 TRP 27 -4.229 2.790 -7.287 200 H TRP 28 H TRP 28 1.855 7.674 -2.290 201 HA TRP 28 HA TRP 28 0.277 9.530 -3.799 202 HB2 TRP 28 HB2 TRP 28 -0.270 11.040 -2.025 203 HB3 TRP 28 HB3 TRP 28 -0.999 9.477 -1.710 204 HD1 TRP 28 HD1 TRP 28 1.254 12.014 -0.099 205 HE1 TRP 28 HE1 TRP 28 2.166 11.223 2.248 206 HE3 TRP 28 HE3 TRP 28 -0.211 7.169 -0.577 207 HZ2 TRP 28 HZ2 TRP 28 2.172 8.715 3.610 208 HZ3 TRP 28 HZ3 TRP 28 0.287 5.614 1.307 209 HH2 TRP 28 HH2 TRP 28 1.435 6.317 3.347 210 H SER 29 H SER 29 1.416 11.813 -3.534 211 HA SER 29 HA SER 29 4.261 11.222 -3.470 212 HB2 SER 29 HB2 SER 29 4.514 13.264 -4.857 213 HB3 SER 29 HB3 SER 29 3.429 12.107 -5.603 214 HG SER 29 HG SER 29 2.783 14.576 -4.271 215 H ASP 30 H ASP 30 5.733 12.810 -2.446 216 HA ASP 30 HA ASP 30 4.411 14.685 -0.692 217 HB2 ASP 30 HB2 ASP 30 6.417 12.571 0.226 218 HB3 ASP 30 HB3 ASP 30 5.900 13.923 1.215 219 H HIS 31 H HIS 31 6.229 16.116 0.416 220 HA HIS 31 HA HIS 31 7.931 17.035 -1.624 221 HB2 HIS 31 HB2 HIS 31 8.451 18.774 -0.185 222 HB3 HIS 31 HB3 HIS 31 6.834 18.320 0.314 223 HD1 HIS 31 HD1 HIS 31 10.418 18.281 1.464 224 HD2 HIS 31 HD2 HIS 31 6.635 17.168 2.895 225 HE1 HIS 31 HE1 HIS 31 10.705 17.818 3.957 226 HE2 HIS 31 HE2 HIS 31 8.337 17.192 4.792 227 H ARG 32 H ARG 32 8.152 14.360 0.466 228 HA ARG 32 HA ARG 32 11.046 14.508 0.486 229 HB2 ARG 32 HB2 ARG 32 9.177 12.540 1.903 230 HB3 ARG 32 HB3 ARG 32 10.914 12.623 2.121 231 HG2 ARG 32 HG2 ARG 32 10.796 14.777 3.177 232 HG3 ARG 32 HG3 ARG 32 9.160 15.058 2.617 233 HD2 ARG 32 HD2 ARG 32 9.294 14.421 5.061 234 HD3 ARG 32 HD3 ARG 32 8.262 13.362 4.121 235 HE ARG 32 HE ARG 32 10.938 12.311 4.124 236 HH11 ARG 32 HH22 ARG 32 8.162 12.722 6.247 237 HH12 ARG 32 HH21 ARG 32 8.558 11.359 7.240 238 HH21 ARG 32 HH12 ARG 32 11.461 10.513 5.434 239 HH22 ARG 32 HH11 ARG 32 10.448 10.094 6.774 240 H GLY 33 H GLY 33 8.249 12.828 -0.885 241 HA2 GLY 33 HA2 GLY 33 9.324 11.804 -3.099 242 HA3 GLY 33 HA3 GLY 33 9.828 10.614 -1.915 243 H THR 34 H THR 34 8.336 9.360 -3.577 244 HA THR 34 HA THR 34 5.511 9.716 -3.068 245 HB THR 34 HB THR 34 7.251 7.936 -4.827 246 HG1 THR 34 HG1 THR 34 6.355 10.332 -5.076 247 HG21 THR 34 HG21 THR 34 4.409 7.817 -5.448 248 HG22 THR 34 HG22 THR 34 5.537 6.467 -5.174 249 HG23 THR 34 HG23 THR 34 4.677 7.203 -3.799 250 H ILE 35 H ILE 35 4.531 8.973 -1.303 251 HA ILE 35 HA ILE 35 5.798 6.773 0.117 252 HB ILE 35 HB ILE 35 3.500 8.572 0.896 253 HG12 ILE 35 HG12 ILE 35 6.467 8.733 1.465 254 HG13 ILE 35 HG13 ILE 35 5.458 9.924 0.669 255 HG21 ILE 35 HG21 ILE 35 3.439 6.401 2.028 256 HG22 ILE 35 HG22 ILE 35 5.124 6.623 2.555 257 HG23 ILE 35 HG23 ILE 35 3.853 7.716 3.154 258 HD11 ILE 35 HD11 ILE 35 5.858 10.620 2.984 259 HD12 ILE 35 HD12 ILE 35 4.140 10.197 2.794 260 HD13 ILE 35 HD13 ILE 35 5.254 9.059 3.589 261 H ILE 36 H ILE 36 4.943 4.728 0.276 262 HA ILE 36 HA ILE 36 2.306 4.339 -0.945 263 HB ILE 36 HB ILE 36 4.617 2.456 -1.362 264 HG12 ILE 36 HG12 ILE 36 3.718 4.705 -3.188 265 HG13 ILE 36 HG13 ILE 36 5.239 4.626 -2.320 266 HG21 ILE 36 HG21 ILE 36 3.202 1.195 -2.553 267 HG22 ILE 36 HG22 ILE 36 1.924 2.089 -1.696 268 HG23 ILE 36 HG23 ILE 36 2.433 2.604 -3.322 269 HD11 ILE 36 HD11 ILE 36 5.546 3.891 -4.655 270 HD12 ILE 36 HD12 ILE 36 5.834 2.530 -3.543 271 HD13 ILE 36 HD13 ILE 36 4.300 2.639 -4.440 272 H GLU 37 H GLU 37 0.917 3.230 0.338 273 HA GLU 37 HA GLU 37 2.132 1.599 2.422 274 HB2 GLU 37 HB2 GLU 37 1.165 3.959 3.121 275 HB3 GLU 37 HB3 GLU 37 -0.395 3.177 2.957 276 HG2 GLU 37 HG2 GLU 37 1.795 1.839 4.575 277 HG3 GLU 37 HG3 GLU 37 0.855 3.135 5.289 278 H ARG 38 H ARG 38 1.508 -0.489 2.107 279 HA ARG 38 HA ARG 38 -1.155 -0.859 0.987 280 HB2 ARG 38 HB2 ARG 38 1.109 -2.893 0.812 281 HB3 ARG 38 HB3 ARG 38 -0.360 -2.841 -0.144 282 HG2 ARG 38 HG2 ARG 38 0.386 -0.788 -1.279 283 HG3 ARG 38 HG3 ARG 38 1.788 -0.671 -0.234 284 HD2 ARG 38 HD2 ARG 38 2.917 -2.414 -1.307 285 HD3 ARG 38 HD3 ARG 38 1.441 -3.246 -1.753 286 HE ARG 38 HE ARG 38 1.146 -1.703 -3.606 287 HH11 ARG 38 HH22 ARG 38 4.164 -1.266 -1.849 288 HH12 ARG 38 HH21 ARG 38 4.926 -0.377 -3.125 289 HH21 ARG 38 HH12 ARG 38 2.151 -0.530 -5.289 290 HH22 ARG 38 HH11 ARG 38 3.773 0.045 -5.095 291 H GLY 39 H GLY 39 -2.224 -2.995 1.679 292 HA2 GLY 39 HA2 GLY 39 -1.277 -4.466 3.886 293 HA3 GLY 39 HA3 GLY 39 -2.335 -3.194 4.464 294 H CYS 40 H CYS 40 -3.399 -5.498 5.055 295 HA CYS 40 HA CYS 40 -4.884 -6.595 2.853 296 HB2 CYS 40 HB2 CYS 40 -4.581 -7.260 5.762 297 HB3 CYS 40 HB3 CYS 40 -5.934 -7.912 4.859 298 H GLY 41 H GLY 41 -7.273 -6.598 2.804 299 HA2 GLY 41 HA2 GLY 41 -9.357 -5.847 3.520 300 HA3 GLY 41 HA3 GLY 41 -8.594 -4.646 4.543 301 H CYS 42 H CYS 42 -10.266 -3.202 3.469 302 HA CYS 42 HA CYS 42 -9.005 -1.961 1.175 303 HB2 CYS 42 HB2 CYS 42 -10.545 -3.426 0.081 304 HB3 CYS 42 HB3 CYS 42 -11.847 -2.981 1.165 305 HA PRO 43 HA PRO 43 -10.464 0.802 4.618 306 HB2 PRO 43 HB2 PRO 43 -8.125 2.216 4.699 307 HB3 PRO 43 HB3 PRO 43 -8.330 0.642 5.555 308 HG2 PRO 43 HG2 PRO 43 -7.095 1.209 2.880 309 HG3 PRO 43 HG3 PRO 43 -6.470 0.202 4.239 310 HD2 PRO 43 HD2 PRO 43 -7.719 -0.871 2.114 311 HD3 PRO 43 HD3 PRO 43 -7.922 -1.525 3.782 312 H LYS 44 H LYS 44 -10.145 3.396 4.617 313 HA LYS 44 HA LYS 44 -10.592 4.231 1.835 314 HB2 LYS 44 HB2 LYS 44 -11.874 5.276 4.378 315 HB3 LYS 44 HB3 LYS 44 -12.099 5.964 2.782 316 HG2 LYS 44 HG2 LYS 44 -12.826 3.119 3.628 317 HG3 LYS 44 HG3 LYS 44 -13.956 4.425 3.329 318 HD2 LYS 44 HD2 LYS 44 -12.873 4.540 0.941 319 HD3 LYS 44 HD3 LYS 44 -12.209 2.963 1.318 320 HE2 LYS 44 HE2 LYS 44 -14.247 2.415 0.259 321 HE3 LYS 44 HE3 LYS 44 -14.663 2.299 1.957 322 HZ1 LYS 44 HZ1 LYS 44 -15.014 4.932 1.149 323 HZ2 LYS 44 HZ2 LYS 44 -15.761 3.977 0.055 324 HZ3 LYS 44 HZ3 LYS 44 -16.151 3.866 1.637 325 H VAL 45 H VAL 45 -9.550 6.091 1.090 326 HA VAL 45 HA VAL 45 -7.553 7.160 2.964 327 HB VAL 45 HB VAL 45 -6.136 7.543 1.049 328 HG11 VAL 45 HG11 VAL 45 -7.246 4.721 1.182 329 HG12 VAL 45 HG12 VAL 45 -5.738 5.170 0.349 330 HG13 VAL 45 HG13 VAL 45 -5.884 5.394 2.109 331 HG21 VAL 45 HG21 VAL 45 -6.928 6.395 -1.172 332 HG22 VAL 45 HG22 VAL 45 -8.556 6.661 -0.504 333 HG23 VAL 45 HG23 VAL 45 -7.470 8.044 -0.779 334 H LYS 46 H LYS 46 -6.909 9.486 2.450 335 HA LYS 46 HA LYS 46 -9.357 10.986 2.134 336 HB2 LYS 46 HB2 LYS 46 -6.634 12.154 2.680 337 HB3 LYS 46 HB3 LYS 46 -8.209 12.775 3.130 338 HG2 LYS 46 HG2 LYS 46 -8.356 10.423 4.447 339 HG3 LYS 46 HG3 LYS 46 -6.609 10.555 4.392 340 HD2 LYS 46 HD2 LYS 46 -8.341 12.873 5.337 341 HD3 LYS 46 HD3 LYS 46 -7.844 11.602 6.435 342 HE2 LYS 46 HE2 LYS 46 -6.106 13.148 6.729 343 HE3 LYS 46 HE3 LYS 46 -5.412 12.097 5.510 344 HZ1 LYS 46 HZ1 LYS 46 -5.362 13.780 4.115 345 HZ2 LYS 46 HZ2 LYS 46 -6.955 14.095 4.292 346 HZ3 LYS 46 HZ3 LYS 46 -5.869 14.784 5.299 347 HA PRO 47 HA PRO 47 -8.983 12.629 -1.861 348 HB2 PRO 47 HB2 PRO 47 -8.497 15.328 -0.656 349 HB3 PRO 47 HB3 PRO 47 -9.753 14.802 -1.838 350 HG2 PRO 47 HG2 PRO 47 -10.384 15.227 0.695 351 HG3 PRO 47 HG3 PRO 47 -11.032 13.791 -0.183 352 HD2 PRO 47 HD2 PRO 47 -8.751 13.978 1.762 353 HD3 PRO 47 HD3 PRO 47 -10.073 12.757 1.657 354 H GLY 48 H GLY 48 -7.252 12.710 -3.347 355 HA2 GLY 48 HA2 GLY 48 -5.263 13.695 -4.141 356 HA3 GLY 48 HA3 GLY 48 -4.763 14.030 -2.495 357 H VAL 49 H VAL 49 -5.509 11.381 -1.398 358 HA VAL 49 HA VAL 49 -3.121 10.001 -2.193 359 HB VAL 49 HB VAL 49 -5.251 9.048 -0.286 360 HG11 VAL 49 HG11 VAL 49 -3.585 7.733 0.681 361 HG12 VAL 49 HG12 VAL 49 -3.208 7.635 -1.056 362 HG13 VAL 49 HG13 VAL 49 -2.268 8.717 -0.001 363 HG21 VAL 49 HG21 VAL 49 -3.319 10.310 1.263 364 HG22 VAL 49 HG22 VAL 49 -3.588 11.444 -0.082 365 HG23 VAL 49 HG23 VAL 49 -4.959 10.912 0.922 366 H ASN 50 H ASN 50 -3.024 7.849 -3.068 367 HA ASN 50 HA ASN 50 -5.358 7.307 -4.700 368 HB2 ASN 50 HB2 ASN 50 -2.417 6.524 -4.871 369 HB3 ASN 50 HB3 ASN 50 -3.617 5.658 -5.809 370 HD21 ASN 50 HD21 ASN 50 -1.764 8.512 -5.453 371 HD22 ASN 50 HD22 ASN 50 -2.304 9.372 -6.856 372 H LEU 51 H LEU 51 -6.332 5.168 -4.666 373 HA LEU 51 HA LEU 51 -5.191 3.215 -2.849 374 HB2 LEU 51 HB2 LEU 51 -6.528 4.446 -1.329 375 HB3 LEU 51 HB3 LEU 51 -7.871 4.530 -2.452 376 HG LEU 51 HG LEU 51 -8.278 2.135 -2.212 377 HD11 LEU 51 HD11 LEU 51 -6.552 0.823 -1.707 378 HD12 LEU 51 HD12 LEU 51 -5.623 2.171 -1.008 379 HD13 LEU 51 HD13 LEU 51 -6.814 1.301 -0.012 380 HD21 LEU 51 HD21 LEU 51 -8.587 4.102 -0.162 381 HD22 LEU 51 HD22 LEU 51 -9.628 2.713 -0.553 382 HD23 LEU 51 HD23 LEU 51 -8.287 2.522 0.602 383 H ASN 52 H ASN 52 -5.652 1.098 -3.459 384 HA ASN 52 HA ASN 52 -7.575 0.817 -5.613 385 HB2 ASN 52 HB2 ASN 52 -5.527 0.863 -6.860 386 HB3 ASN 52 HB3 ASN 52 -4.646 -0.009 -5.621 387 HD21 ASN 52 HD21 ASN 52 -5.197 -2.245 -5.225 388 HD22 ASN 52 HD22 ASN 52 -5.752 -3.252 -6.521 389 H CYS 53 H CYS 53 -8.978 -0.845 -5.019 390 HA CYS 53 HA CYS 53 -7.940 -2.805 -3.108 391 HB2 CYS 53 HB2 CYS 53 -10.805 -1.958 -3.587 392 HB3 CYS 53 HB3 CYS 53 -10.268 -3.157 -2.427 393 H CYS 54 H CYS 54 -8.367 -5.058 -3.543 394 HA CYS 54 HA CYS 54 -9.788 -5.716 -5.954 395 HB2 CYS 54 HB2 CYS 54 -7.737 -7.153 -6.671 396 HB3 CYS 54 HB3 CYS 54 -7.866 -5.472 -7.152 397 H ARG 55 H ARG 55 -9.912 -8.210 -6.126 398 HA ARG 55 HA ARG 55 -9.804 -9.268 -3.418 399 HB2 ARG 55 HB2 ARG 55 -11.615 -10.019 -5.767 400 HB3 ARG 55 HB3 ARG 55 -11.602 -10.874 -4.237 401 HG2 ARG 55 HG2 ARG 55 -12.617 -9.122 -3.077 402 HG3 ARG 55 HG3 ARG 55 -11.933 -7.888 -4.116 403 HD2 ARG 55 HD2 ARG 55 -14.258 -9.754 -4.776 404 HD3 ARG 55 HD3 ARG 55 -14.332 -8.016 -4.561 405 HE ARG 55 HE ARG 55 -13.551 -9.412 -6.973 406 HH11 ARG 55 HH22 ARG 55 -12.908 -6.494 -5.113 407 HH12 ARG 55 HH21 ARG 55 -12.383 -5.580 -6.488 408 HH21 ARG 55 HH12 ARG 55 -12.859 -8.206 -8.787 409 HH22 ARG 55 HH11 ARG 55 -12.355 -6.560 -8.591 410 H THR 56 H THR 56 -7.412 -9.336 -4.819 411 HA THR 56 HA THR 56 -7.199 -12.188 -5.480 412 HB THR 56 HB THR 56 -5.440 -11.230 -7.241 413 HG1 THR 56 HG1 THR 56 -7.416 -9.147 -7.357 414 HG21 THR 56 HG21 THR 56 -7.263 -10.931 -8.953 415 HG22 THR 56 HG22 THR 56 -7.497 -12.408 -7.986 416 HG23 THR 56 HG23 THR 56 -8.466 -10.955 -7.641 417 H ASP 57 H ASP 57 -5.295 -13.209 -4.842 418 HA ASP 57 HA ASP 57 -4.147 -12.173 -2.567 419 HB2 ASP 57 HB2 ASP 57 -3.050 -14.267 -4.504 420 HB3 ASP 57 HB3 ASP 57 -2.457 -14.018 -2.874 421 H ARG 58 H ARG 58 -2.121 -11.084 -2.206 422 HA ARG 58 HA ARG 58 -0.653 -9.547 -2.704 423 HB2 ARG 58 HB2 ARG 58 0.359 -11.411 -4.889 424 HB3 ARG 58 HB3 ARG 58 1.304 -10.398 -3.815 425 HG2 ARG 58 HG2 ARG 58 0.241 -11.861 -1.890 426 HG3 ARG 58 HG3 ARG 58 -0.138 -12.991 -3.175 427 HD2 ARG 58 HD2 ARG 58 2.167 -13.345 -3.714 428 HD3 ARG 58 HD3 ARG 58 2.680 -11.887 -2.889 429 HE ARG 58 HE ARG 58 1.424 -13.593 -0.971 430 HH11 ARG 58 HH22 ARG 58 4.333 -13.458 -2.946 431 HH12 ARG 58 HH21 ARG 58 5.279 -14.403 -1.845 432 HH21 ARG 58 HH12 ARG 58 2.671 -14.840 0.483 433 HH22 ARG 58 HH11 ARG 58 4.327 -15.194 0.119 434 H CYS 59 H CYS 59 -3.109 -9.084 -4.123 435 HA CYS 59 HA CYS 59 -2.381 -8.451 -6.837 436 HB2 CYS 59 HB2 CYS 59 -4.660 -7.884 -7.167 437 HB3 CYS 59 HB3 CYS 59 -4.603 -9.381 -6.257 438 H ASN 60 H ASN 60 -2.480 -7.010 -3.639 439 HA ASN 60 HA ASN 60 -2.483 -4.345 -4.742 440 HB2 ASN 60 HB2 ASN 60 -2.630 -3.601 -2.402 441 HB3 ASN 60 HB3 ASN 60 -3.796 -4.885 -2.651 442 HD21 ASN 60 HD21 ASN 60 -2.131 -3.813 -0.328 443 HD22 ASN 60 HD22 ASN 60 -1.449 -5.218 0.422 444 H ASN 61 H ASN 61 -0.257 -5.716 -5.647 445 HA ASN 61 HA ASN 61 1.875 -5.282 -3.762 446 HB2 ASN 61 HB2 ASN 61 3.283 -6.437 -5.431 447 HB3 ASN 61 HB3 ASN 61 1.814 -7.359 -5.181 448 HD21 ASN 61 HD21 ASN 61 3.775 -6.951 -7.462 449 HD22 ASN 61 HD22 ASN 61 2.797 -6.636 -8.856 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 -6.703 -15.978 1.616 2 H2 LEU 1 H2 LEU 1 -6.621 -14.851 2.827 3 H3 LEU 1 H3 LEU 1 -5.271 -15.711 2.403 4 HA LEU 1 HA LEU 1 -5.457 -14.763 0.172 5 HB2 LEU 1 HB2 LEU 1 -7.698 -14.044 0.170 6 HB3 LEU 1 HB3 LEU 1 -7.503 -13.130 1.652 7 HG LEU 1 HG LEU 1 -5.833 -11.679 0.292 8 HD11 LEU 1 HD11 LEU 1 -7.300 -13.105 -1.937 9 HD12 LEU 1 HD12 LEU 1 -6.428 -11.567 -2.141 10 HD13 LEU 1 HD13 LEU 1 -5.545 -13.033 -1.651 11 HD21 LEU 1 HD21 LEU 1 -8.829 -11.670 0.107 12 HD22 LEU 1 HD22 LEU 1 -7.739 -10.588 1.006 13 HD23 LEU 1 HD23 LEU 1 -7.874 -10.446 -0.763 14 H GLU 2 H GLU 2 -3.615 -13.595 -0.191 15 HA GLU 2 HA GLU 2 -2.492 -12.348 2.189 16 HB2 GLU 2 HB2 GLU 2 -0.962 -13.158 -0.312 17 HB3 GLU 2 HB3 GLU 2 -0.306 -12.783 1.269 18 HG2 GLU 2 HG2 GLU 2 -1.930 -14.806 2.017 19 HG3 GLU 2 HG3 GLU 2 -1.725 -15.274 0.341 20 H CYS 3 H CYS 3 -1.552 -10.226 2.052 21 HA CYS 3 HA CYS 3 -2.023 -8.834 -0.465 22 HB2 CYS 3 HB2 CYS 3 -2.820 -7.619 2.178 23 HB3 CYS 3 HB3 CYS 3 -3.104 -6.988 0.568 24 H HIS 4 H HIS 4 -0.370 -7.334 -0.923 25 HA HIS 4 HA HIS 4 2.019 -7.619 0.491 26 HB2 HIS 4 HB2 HIS 4 1.025 -5.871 -1.727 27 HB3 HIS 4 HB3 HIS 4 2.536 -5.447 -0.947 28 HD1 HIS 4 HD1 HIS 4 4.553 -7.132 -1.208 29 HD2 HIS 4 HD2 HIS 4 1.111 -8.142 -3.383 30 HE1 HIS 4 HE1 HIS 4 5.265 -8.918 -2.885 31 HE2 HIS 4 HE2 HIS 4 3.098 -9.539 -4.155 32 H ASN 5 H ASN 5 3.027 -6.383 2.075 33 HA ASN 5 HA ASN 5 1.370 -4.222 3.119 34 HB2 ASN 5 HB2 ASN 5 2.005 -4.837 5.349 35 HB3 ASN 5 HB3 ASN 5 1.665 -6.365 4.561 36 HD21 ASN 5 HD21 ASN 5 3.061 -7.886 4.954 37 HD22 ASN 5 HD22 ASN 5 4.761 -7.714 5.244 38 H GLN 6 H GLN 6 3.895 -4.655 1.183 39 HA GLN 6 HA GLN 6 6.013 -3.410 2.552 40 HB2 GLN 6 HB2 GLN 6 6.856 -3.113 0.087 41 HB3 GLN 6 HB3 GLN 6 6.718 -4.729 0.750 42 HG2 GLN 6 HG2 GLN 6 4.872 -5.271 -0.559 43 HG3 GLN 6 HG3 GLN 6 4.266 -3.627 -0.586 44 HE21 GLN 6 HE21 GLN 6 5.341 -5.931 -2.503 45 HE22 GLN 6 HE22 GLN 6 6.157 -5.047 -3.749 46 H GLN 7 H GLN 7 6.765 -1.238 2.452 47 HA GLN 7 HA GLN 7 4.716 0.600 1.503 48 HB2 GLN 7 HB2 GLN 7 6.084 2.225 3.062 49 HB3 GLN 7 HB3 GLN 7 4.972 1.074 3.774 50 HG2 GLN 7 HG2 GLN 7 6.683 -0.308 4.580 51 HG3 GLN 7 HG3 GLN 7 7.808 0.162 3.322 52 HE21 GLN 7 HE21 GLN 7 8.538 0.043 5.964 53 HE22 GLN 7 HE22 GLN 7 8.879 1.627 6.578 54 H SER 8 H SER 8 5.526 2.720 0.578 55 HA SER 8 HA SER 8 6.507 3.540 -1.229 56 HB2 SER 8 HB2 SER 8 9.067 3.141 0.364 57 HB3 SER 8 HB3 SER 8 8.676 4.462 -0.719 58 HG SER 8 HG SER 8 7.037 3.966 1.591 59 H SER 9 H SER 9 9.659 2.848 -1.444 60 HA SER 9 HA SER 9 9.167 0.776 -3.380 61 HB2 SER 9 HB2 SER 9 11.456 1.266 -4.157 62 HB3 SER 9 HB3 SER 9 10.517 2.740 -4.031 63 HG SER 9 HG SER 9 11.795 2.199 -1.640 64 H GLN 10 H GLN 10 9.727 0.859 -0.112 65 HA GLN 10 HA GLN 10 11.869 -0.626 0.467 66 HB2 GLN 10 HB2 GLN 10 9.136 -1.134 1.712 67 HB3 GLN 10 HB3 GLN 10 10.700 -1.341 2.475 68 HG2 GLN 10 HG2 GLN 10 9.321 1.254 1.699 69 HG3 GLN 10 HG3 GLN 10 9.877 0.757 3.285 70 HE21 GLN 10 HE21 GLN 10 10.457 3.154 1.721 71 HE22 GLN 10 HE22 GLN 10 12.178 3.254 1.547 72 HA PRO 11 HA PRO 11 11.725 -4.770 -0.886 73 HB2 PRO 11 HB2 PRO 11 11.402 -5.647 1.961 74 HB3 PRO 11 HB3 PRO 11 12.648 -6.115 0.744 75 HG2 PRO 11 HG2 PRO 11 13.241 -4.433 2.697 76 HG3 PRO 11 HG3 PRO 11 13.807 -4.120 1.014 77 HD2 PRO 11 HD2 PRO 11 11.494 -2.923 2.510 78 HD3 PRO 11 HD3 PRO 11 12.728 -2.119 1.469 79 HA PRO 12 HA PRO 12 7.344 -5.575 -1.234 80 HB2 PRO 12 HB2 PRO 12 8.462 -8.096 -2.406 81 HB3 PRO 12 HB3 PRO 12 7.253 -6.943 -3.087 82 HG2 PRO 12 HG2 PRO 12 9.742 -6.968 -3.983 83 HG3 PRO 12 HG3 PRO 12 8.895 -5.406 -3.669 84 HD2 PRO 12 HD2 PRO 12 10.918 -6.860 -1.991 85 HD3 PRO 12 HD3 PRO 12 10.809 -5.106 -2.396 86 H THR 13 H THR 13 6.043 -6.437 0.414 87 HA THR 13 HA THR 13 6.864 -9.009 1.570 88 HB THR 13 HB THR 13 6.025 -7.870 3.801 89 HG1 THR 13 HG1 THR 13 5.292 -5.885 2.953 90 HG21 THR 13 HG21 THR 13 8.267 -6.735 4.153 91 HG22 THR 13 HG22 THR 13 8.420 -8.398 3.539 92 HG23 THR 13 HG23 THR 13 8.631 -7.019 2.434 93 H THR 14 H THR 14 4.954 -9.819 3.066 94 HA THR 14 HA THR 14 2.377 -9.075 1.935 95 HB THR 14 HB THR 14 2.036 -11.668 1.584 96 HG1 THR 14 HG1 THR 14 3.941 -12.709 2.004 97 HG21 THR 14 HG21 THR 14 3.868 -9.988 -0.204 98 HG22 THR 14 HG22 THR 14 3.244 -11.588 -0.672 99 HG23 THR 14 HG23 THR 14 2.117 -10.237 -0.401 100 H LYS 15 H LYS 15 0.552 -9.945 3.164 101 HA LYS 15 HA LYS 15 1.230 -11.110 5.722 102 HB2 LYS 15 HB2 LYS 15 1.504 -8.618 5.988 103 HB3 LYS 15 HB3 LYS 15 -0.200 -8.440 5.619 104 HG2 LYS 15 HG2 LYS 15 -0.334 -8.590 7.933 105 HG3 LYS 15 HG3 LYS 15 -0.487 -10.289 7.532 106 HD2 LYS 15 HD2 LYS 15 2.285 -9.150 7.924 107 HD3 LYS 15 HD3 LYS 15 1.299 -9.449 9.342 108 HE2 LYS 15 HE2 LYS 15 0.893 -11.818 8.114 109 HE3 LYS 15 HE3 LYS 15 2.424 -11.422 7.359 110 HZ1 LYS 15 HZ1 LYS 15 2.889 -12.570 9.328 111 HZ2 LYS 15 HZ2 LYS 15 3.261 -11.012 9.648 112 HZ3 LYS 15 HZ3 LYS 15 1.879 -11.658 10.230 113 H THR 16 H THR 16 -0.596 -12.112 6.743 114 HA THR 16 HA THR 16 -2.609 -12.875 4.836 115 HB THR 16 HB THR 16 -2.494 -13.608 7.790 116 HG1 THR 16 HG1 THR 16 -0.536 -14.523 7.312 117 HG21 THR 16 HG21 THR 16 -4.210 -14.893 6.839 118 HG22 THR 16 HG22 THR 16 -3.489 -14.829 5.213 119 HG23 THR 16 HG23 THR 16 -2.815 -15.924 6.444 120 H CYS 17 H CYS 17 -4.676 -12.203 4.644 121 HA CYS 17 HA CYS 17 -5.384 -9.897 6.212 122 HB2 CYS 17 HB2 CYS 17 -7.132 -11.194 4.138 123 HB3 CYS 17 HB3 CYS 17 -7.099 -9.522 4.661 124 H SER 18 H SER 18 -6.595 -10.039 8.072 125 HA SER 18 HA SER 18 -7.900 -12.588 8.552 126 HB2 SER 18 HB2 SER 18 -6.409 -12.082 10.333 127 HB3 SER 18 HB3 SER 18 -6.859 -10.388 10.357 128 HG SER 18 HG SER 18 -8.889 -10.929 11.274 129 H GLY 19 H GLY 19 -10.086 -12.668 8.204 130 HA2 GLY 19 HA2 GLY 19 -12.267 -12.058 8.374 131 HA3 GLY 19 HA3 GLY 19 -11.798 -10.563 9.158 132 H GLU 20 H GLU 20 -9.773 -10.399 6.644 133 HA GLU 20 HA GLU 20 -11.761 -9.028 5.024 134 HB2 GLU 20 HB2 GLU 20 -8.753 -8.685 4.797 135 HB3 GLU 20 HB3 GLU 20 -10.010 -7.585 4.267 136 HG2 GLU 20 HG2 GLU 20 -10.596 -7.003 6.547 137 HG3 GLU 20 HG3 GLU 20 -9.639 -8.317 7.202 138 H THR 21 H THR 21 -11.508 -9.135 2.614 139 HA THR 21 HA THR 21 -10.075 -11.529 1.713 140 HB THR 21 HB THR 21 -12.248 -11.956 0.312 141 HG1 THR 21 HG1 THR 21 -14.089 -11.033 1.701 142 HG21 THR 21 HG21 THR 21 -12.260 -12.258 3.360 143 HG22 THR 21 HG22 THR 21 -13.449 -13.025 2.280 144 HG23 THR 21 HG23 THR 21 -11.731 -13.480 2.178 145 H ASN 22 H ASN 22 -9.922 -8.402 1.616 146 HA ASN 22 HA ASN 22 -9.491 -8.400 -1.260 147 HB2 ASN 22 HB2 ASN 22 -10.692 -6.124 0.405 148 HB3 ASN 22 HB3 ASN 22 -10.227 -5.973 -1.278 149 HD21 ASN 22 HD21 ASN 22 -12.395 -7.511 1.001 150 HD22 ASN 22 HD22 ASN 22 -13.635 -7.977 -0.115 151 H CYS 23 H CYS 23 -7.750 -6.818 -1.903 152 HA CYS 23 HA CYS 23 -6.028 -6.171 0.379 153 HB2 CYS 23 HB2 CYS 23 -5.145 -6.805 -2.442 154 HB3 CYS 23 HB3 CYS 23 -4.110 -6.472 -1.068 155 H TYR 24 H TYR 24 -5.232 -4.033 0.475 156 HA TYR 24 HA TYR 24 -6.212 -2.257 -1.660 157 HB2 TYR 24 HB2 TYR 24 -6.632 -0.682 0.134 158 HB3 TYR 24 HB3 TYR 24 -7.141 -2.216 0.811 159 HD1 TYR 24 HD2 TYR 24 -4.540 0.395 0.880 160 HD2 TYR 24 HD1 TYR 24 -5.895 -3.274 2.614 161 HE1 TYR 24 HE2 TYR 24 -2.942 0.718 2.831 162 HE2 TYR 24 HE1 TYR 24 -4.292 -2.939 4.559 163 HH TYR 24 HH TYR 24 -3.215 -0.700 5.637 164 H LYS 25 H LYS 25 -4.864 -0.416 -2.214 165 HA LYS 25 HA LYS 25 -2.126 -0.567 -1.220 166 HB2 LYS 25 HB2 LYS 25 -1.955 -1.925 -3.157 167 HB3 LYS 25 HB3 LYS 25 -2.967 -0.857 -4.107 168 HG2 LYS 25 HG2 LYS 25 -1.052 0.934 -3.453 169 HG3 LYS 25 HG3 LYS 25 -0.087 -0.520 -3.291 170 HD2 LYS 25 HD2 LYS 25 -0.543 -1.181 -5.592 171 HD3 LYS 25 HD3 LYS 25 -1.762 0.065 -5.772 172 HE2 LYS 25 HE2 LYS 25 -0.171 1.808 -5.879 173 HE3 LYS 25 HE3 LYS 25 1.051 0.888 -5.024 174 HZ1 LYS 25 HZ1 LYS 25 0.337 0.809 -7.812 175 HZ2 LYS 25 HZ2 LYS 25 1.797 0.622 -7.104 176 HZ3 LYS 25 HZ3 LYS 25 0.742 -0.624 -7.141 177 H LYS 26 H LYS 26 -1.619 1.410 -0.464 178 HA LYS 26 HA LYS 26 -2.981 3.686 -1.721 179 HB2 LYS 26 HB2 LYS 26 -3.582 3.368 0.618 180 HB3 LYS 26 HB3 LYS 26 -1.894 3.350 1.089 181 HG2 LYS 26 HG2 LYS 26 -1.832 5.713 -0.153 182 HG3 LYS 26 HG3 LYS 26 -3.564 5.676 0.112 183 HD2 LYS 26 HD2 LYS 26 -1.676 5.081 2.410 184 HD3 LYS 26 HD3 LYS 26 -1.983 6.742 1.944 185 HE2 LYS 26 HE2 LYS 26 -3.574 6.165 3.688 186 HE3 LYS 26 HE3 LYS 26 -4.467 6.307 2.186 187 HZ1 LYS 26 HZ1 LYS 26 -3.420 3.707 2.978 188 HZ2 LYS 26 HZ2 LYS 26 -4.793 4.262 3.667 189 HZ3 LYS 26 HZ3 LYS 26 -4.718 4.055 2.049 190 H TRP 27 H TRP 27 -1.775 5.463 -2.438 191 HA TRP 27 HA TRP 27 1.050 5.549 -1.951 192 HB2 TRP 27 HB2 TRP 27 1.822 5.243 -4.168 193 HB3 TRP 27 HB3 TRP 27 0.889 3.827 -3.724 194 HD1 TRP 27 HD1 TRP 27 0.889 6.710 -6.224 195 HE1 TRP 27 HE1 TRP 27 -0.984 6.416 -8.059 196 HE3 TRP 27 HE3 TRP 27 -1.461 2.816 -3.953 197 HZ2 TRP 27 HZ2 TRP 27 -3.190 4.628 -8.348 198 HZ3 TRP 27 HZ3 TRP 27 -3.467 1.854 -5.078 199 HH2 TRP 27 HH2 TRP 27 -4.337 2.698 -7.201 200 H TRP 28 H TRP 28 1.856 7.663 -2.420 201 HA TRP 28 HA TRP 28 0.261 9.504 -3.913 202 HB2 TRP 28 HB2 TRP 28 -0.278 11.032 -2.138 203 HB3 TRP 28 HB3 TRP 28 -1.030 9.477 -1.844 204 HD1 TRP 28 HD1 TRP 28 1.355 11.936 -0.241 205 HE1 TRP 28 HE1 TRP 28 2.181 11.129 2.132 206 HE3 TRP 28 HE3 TRP 28 -0.455 7.201 -0.639 207 HZ2 TRP 28 HZ2 TRP 28 1.989 8.657 3.544 208 HZ3 TRP 28 HZ3 TRP 28 -0.093 5.654 1.282 209 HH2 TRP 28 HH2 TRP 28 1.082 6.314 3.321 210 H SER 29 H SER 29 1.388 11.794 -3.661 211 HA SER 29 HA SER 29 4.235 11.218 -3.593 212 HB2 SER 29 HB2 SER 29 3.135 12.160 -5.697 213 HB3 SER 29 HB3 SER 29 2.835 13.638 -4.805 214 HG SER 29 HG SER 29 5.045 13.014 -6.136 215 H ASP 30 H ASP 30 5.702 12.816 -2.575 216 HA ASP 30 HA ASP 30 4.378 14.690 -0.822 217 HB2 ASP 30 HB2 ASP 30 6.421 12.628 0.131 218 HB3 ASP 30 HB3 ASP 30 5.786 13.934 1.111 219 H HIS 31 H HIS 31 6.195 16.120 0.288 220 HA HIS 31 HA HIS 31 7.905 17.030 -1.746 221 HB2 HIS 31 HB2 HIS 31 6.914 18.508 -0.076 222 HB3 HIS 31 HB3 HIS 31 7.779 17.688 1.209 223 HD1 HIS 31 HD1 HIS 31 9.009 19.889 1.883 224 HD2 HIS 31 HD2 HIS 31 9.782 18.609 -2.036 225 HE1 HIS 31 HE1 HIS 31 11.002 21.256 1.064 226 HE2 HIS 31 HE2 HIS 31 11.464 20.387 -1.329 227 H ARG 32 H ARG 32 8.115 14.368 0.368 228 HA ARG 32 HA ARG 32 11.009 14.505 0.381 229 HB2 ARG 32 HB2 ARG 32 9.645 13.993 2.515 230 HB3 ARG 32 HB3 ARG 32 9.235 12.452 1.787 231 HG2 ARG 32 HG2 ARG 32 12.147 13.238 1.879 232 HG3 ARG 32 HG3 ARG 32 11.388 12.735 3.376 233 HD2 ARG 32 HD2 ARG 32 10.946 11.023 0.927 234 HD3 ARG 32 HD3 ARG 32 12.516 10.954 1.702 235 HE ARG 32 HE ARG 32 10.291 10.712 3.592 236 HH11 ARG 32 HH22 ARG 32 12.417 8.957 1.406 237 HH12 ARG 32 HH21 ARG 32 12.210 7.441 2.217 238 HH21 ARG 32 HH12 ARG 32 10.017 8.711 4.663 239 HH22 ARG 32 HH11 ARG 32 10.836 7.300 4.082 240 H GLY 33 H GLY 33 8.202 12.820 -0.963 241 HA2 GLY 33 HA2 GLY 33 9.273 11.765 -3.167 242 HA3 GLY 33 HA3 GLY 33 9.766 10.586 -1.968 243 H THR 34 H THR 34 8.268 9.321 -3.615 244 HA THR 34 HA THR 34 5.444 9.706 -3.109 245 HB THR 34 HB THR 34 7.156 7.870 -4.845 246 HG1 THR 34 HG1 THR 34 6.196 9.263 -6.403 247 HG21 THR 34 HG21 THR 34 4.285 7.892 -5.443 248 HG22 THR 34 HG22 THR 34 5.377 6.497 -5.272 249 HG23 THR 34 HG23 THR 34 4.588 7.190 -3.836 250 H ILE 35 H ILE 35 4.458 8.978 -1.342 251 HA ILE 35 HA ILE 35 5.719 6.800 0.111 252 HB ILE 35 HB ILE 35 3.415 8.624 0.811 253 HG12 ILE 35 HG12 ILE 35 6.362 8.691 1.477 254 HG13 ILE 35 HG13 ILE 35 5.394 9.933 0.707 255 HG21 ILE 35 HG21 ILE 35 3.706 7.751 3.103 256 HG22 ILE 35 HG22 ILE 35 3.172 6.504 1.951 257 HG23 ILE 35 HG23 ILE 35 4.870 6.556 2.481 258 HD11 ILE 35 HD11 ILE 35 5.188 8.988 3.600 259 HD12 ILE 35 HD12 ILE 35 5.728 10.583 3.022 260 HD13 ILE 35 HD13 ILE 35 4.024 10.100 2.842 261 H ILE 36 H ILE 36 4.894 4.744 0.275 262 HA ILE 36 HA ILE 36 2.269 4.303 -0.950 263 HB ILE 36 HB ILE 36 4.610 2.466 -1.402 264 HG12 ILE 36 HG12 ILE 36 3.674 4.719 -3.205 265 HG13 ILE 36 HG13 ILE 36 5.191 4.668 -2.327 266 HG21 ILE 36 HG21 ILE 36 1.921 2.068 -1.734 267 HG22 ILE 36 HG22 ILE 36 2.417 2.615 -3.354 268 HG23 ILE 36 HG23 ILE 36 3.209 1.205 -2.609 269 HD11 ILE 36 HD11 ILE 36 5.542 3.958 -4.659 270 HD12 ILE 36 HD12 ILE 36 5.831 2.586 -3.562 271 HD13 ILE 36 HD13 ILE 36 4.307 2.688 -4.478 272 H GLU 37 H GLU 37 0.918 3.150 0.336 273 HA GLU 37 HA GLU 37 2.180 1.494 2.366 274 HB2 GLU 37 HB2 GLU 37 1.386 3.770 3.263 275 HB3 GLU 37 HB3 GLU 37 -0.250 3.239 2.929 276 HG2 GLU 37 HG2 GLU 37 0.085 1.251 4.404 277 HG3 GLU 37 HG3 GLU 37 1.730 1.761 4.727 278 H ARG 38 H ARG 38 1.513 -0.580 2.043 279 HA ARG 38 HA ARG 38 -1.183 -0.893 0.990 280 HB2 ARG 38 HB2 ARG 38 1.032 -2.969 0.730 281 HB3 ARG 38 HB3 ARG 38 -0.450 -2.860 -0.198 282 HG2 ARG 38 HG2 ARG 38 0.319 -0.914 -1.400 283 HG3 ARG 38 HG3 ARG 38 1.641 -0.649 -0.282 284 HD2 ARG 38 HD2 ARG 38 2.952 -2.357 -1.195 285 HD3 ARG 38 HD3 ARG 38 1.567 -3.304 -1.700 286 HE ARG 38 HE ARG 38 1.288 -1.839 -3.625 287 HH11 ARG 38 HH22 ARG 38 4.181 -1.201 -1.725 288 HH12 ARG 38 HH21 ARG 38 4.976 -0.328 -2.992 289 HH21 ARG 38 HH12 ARG 38 2.337 -0.688 -5.297 290 HH22 ARG 38 HH11 ARG 38 3.920 -0.034 -5.038 291 H GLY 39 H GLY 39 -2.268 -3.022 1.679 292 HA2 GLY 39 HA2 GLY 39 -1.281 -4.524 3.855 293 HA3 GLY 39 HA3 GLY 39 -2.333 -3.258 4.456 294 H CYS 40 H CYS 40 -3.423 -5.523 5.061 295 HA CYS 40 HA CYS 40 -4.912 -6.636 2.868 296 HB2 CYS 40 HB2 CYS 40 -4.600 -7.284 5.779 297 HB3 CYS 40 HB3 CYS 40 -5.963 -7.934 4.889 298 H GLY 41 H GLY 41 -7.297 -6.618 2.811 299 HA2 GLY 41 HA2 GLY 41 -9.378 -5.854 3.520 300 HA3 GLY 41 HA3 GLY 41 -8.612 -4.663 4.551 301 H CYS 42 H CYS 42 -10.297 -3.229 3.456 302 HA CYS 42 HA CYS 42 -9.010 -1.975 1.181 303 HB2 CYS 42 HB2 CYS 42 -10.545 -3.429 0.070 304 HB3 CYS 42 HB3 CYS 42 -11.853 -2.991 1.151 305 HA PRO 43 HA PRO 43 -10.482 0.781 4.624 306 HB2 PRO 43 HB2 PRO 43 -8.138 2.187 4.725 307 HB3 PRO 43 HB3 PRO 43 -8.354 0.611 5.575 308 HG2 PRO 43 HG2 PRO 43 -7.100 1.183 2.909 309 HG3 PRO 43 HG3 PRO 43 -6.487 0.169 4.268 310 HD2 PRO 43 HD2 PRO 43 -7.725 -0.892 2.132 311 HD3 PRO 43 HD3 PRO 43 -7.941 -1.551 3.797 312 H LYS 44 H LYS 44 -10.148 3.375 4.634 313 HA LYS 44 HA LYS 44 -10.589 4.218 1.854 314 HB2 LYS 44 HB2 LYS 44 -12.163 5.851 2.678 315 HB3 LYS 44 HB3 LYS 44 -12.630 4.258 3.239 316 HG2 LYS 44 HG2 LYS 44 -11.288 4.816 5.404 317 HG3 LYS 44 HG3 LYS 44 -11.282 6.473 4.833 318 HD2 LYS 44 HD2 LYS 44 -13.877 6.175 4.574 319 HD3 LYS 44 HD3 LYS 44 -13.676 4.760 5.588 320 HE2 LYS 44 HE2 LYS 44 -14.052 6.355 7.239 321 HE3 LYS 44 HE3 LYS 44 -12.305 6.455 7.142 322 HZ1 LYS 44 HZ1 LYS 44 -13.073 8.151 5.235 323 HZ2 LYS 44 HZ2 LYS 44 -14.268 8.360 6.329 324 HZ3 LYS 44 HZ3 LYS 44 -12.711 8.590 6.766 325 H VAL 45 H VAL 45 -9.539 6.077 1.110 326 HA VAL 45 HA VAL 45 -7.518 7.117 2.973 327 HB VAL 45 HB VAL 45 -6.107 7.488 1.061 328 HG11 VAL 45 HG11 VAL 45 -7.092 4.684 0.610 329 HG12 VAL 45 HG12 VAL 45 -5.426 5.300 0.727 330 HG13 VAL 45 HG13 VAL 45 -6.421 5.141 2.194 331 HG21 VAL 45 HG21 VAL 45 -6.928 6.408 -1.179 332 HG22 VAL 45 HG22 VAL 45 -8.550 6.684 -0.499 333 HG23 VAL 45 HG23 VAL 45 -7.444 8.056 -0.748 334 H LYS 46 H LYS 46 -6.874 9.440 2.510 335 HA LYS 46 HA LYS 46 -9.310 10.959 2.187 336 HB2 LYS 46 HB2 LYS 46 -6.590 12.105 2.790 337 HB3 LYS 46 HB3 LYS 46 -8.169 12.723 3.231 338 HG2 LYS 46 HG2 LYS 46 -8.487 10.631 4.672 339 HG3 LYS 46 HG3 LYS 46 -6.815 10.223 4.344 340 HD2 LYS 46 HD2 LYS 46 -7.728 12.849 5.613 341 HD3 LYS 46 HD3 LYS 46 -7.144 11.467 6.518 342 HE2 LYS 46 HE2 LYS 46 -5.578 13.125 4.490 343 HE3 LYS 46 HE3 LYS 46 -5.288 13.023 6.215 344 HZ1 LYS 46 HZ1 LYS 46 -3.833 11.488 5.528 345 HZ2 LYS 46 HZ2 LYS 46 -5.121 10.485 5.563 346 HZ3 LYS 46 HZ3 LYS 46 -4.630 11.133 4.147 347 HA PRO 47 HA PRO 47 -8.864 12.680 -1.768 348 HB2 PRO 47 HB2 PRO 47 -8.346 15.348 -0.508 349 HB3 PRO 47 HB3 PRO 47 -9.598 14.865 -1.713 350 HG2 PRO 47 HG2 PRO 47 -10.250 15.254 0.821 351 HG3 PRO 47 HG3 PRO 47 -10.912 13.846 -0.091 352 HD2 PRO 47 HD2 PRO 47 -8.649 13.958 1.881 353 HD3 PRO 47 HD3 PRO 47 -9.991 12.761 1.739 354 H GLY 48 H GLY 48 -7.115 12.757 -3.233 355 HA2 GLY 48 HA2 GLY 48 -5.102 13.725 -3.987 356 HA3 GLY 48 HA3 GLY 48 -4.614 14.019 -2.330 357 H VAL 49 H VAL 49 -5.418 11.362 -1.294 358 HA VAL 49 HA VAL 49 -3.053 9.949 -2.126 359 HB VAL 49 HB VAL 49 -5.138 8.962 -0.200 360 HG11 VAL 49 HG11 VAL 49 -2.112 8.711 -0.302 361 HG12 VAL 49 HG12 VAL 49 -3.173 8.003 0.940 362 HG13 VAL 49 HG13 VAL 49 -3.291 7.454 -0.750 363 HG21 VAL 49 HG21 VAL 49 -4.946 10.849 0.995 364 HG22 VAL 49 HG22 VAL 49 -3.290 10.312 1.366 365 HG23 VAL 49 HG23 VAL 49 -3.580 11.432 0.013 366 H ASN 50 H ASN 50 -3.001 7.845 -3.069 367 HA ASN 50 HA ASN 50 -5.393 7.337 -4.622 368 HB2 ASN 50 HB2 ASN 50 -2.465 6.544 -4.896 369 HB3 ASN 50 HB3 ASN 50 -3.695 5.677 -5.794 370 HD21 ASN 50 HD21 ASN 50 -1.836 8.533 -5.494 371 HD22 ASN 50 HD22 ASN 50 -2.423 9.395 -6.877 372 H LEU 51 H LEU 51 -6.363 5.187 -4.617 373 HA LEU 51 HA LEU 51 -5.205 3.230 -2.808 374 HB2 LEU 51 HB2 LEU 51 -6.576 4.448 -1.303 375 HB3 LEU 51 HB3 LEU 51 -7.909 4.505 -2.439 376 HG LEU 51 HG LEU 51 -8.252 2.089 -2.204 377 HD11 LEU 51 HD11 LEU 51 -5.645 2.228 -0.887 378 HD12 LEU 51 HD12 LEU 51 -6.851 1.300 0.037 379 HD13 LEU 51 HD13 LEU 51 -6.482 0.852 -1.646 380 HD21 LEU 51 HD21 LEU 51 -8.302 2.603 0.624 381 HD22 LEU 51 HD22 LEU 51 -8.765 4.074 -0.265 382 HD23 LEU 51 HD23 LEU 51 -9.645 2.552 -0.543 383 H ASN 52 H ASN 52 -5.650 1.105 -3.419 384 HA ASN 52 HA ASN 52 -7.533 0.816 -5.607 385 HB2 ASN 52 HB2 ASN 52 -5.128 0.986 -6.479 386 HB3 ASN 52 HB3 ASN 52 -4.752 -0.466 -5.573 387 HD21 ASN 52 HD21 ASN 52 -5.623 -2.443 -6.160 388 HD22 ASN 52 HD22 ASN 52 -6.325 -2.745 -7.714 389 H CYS 53 H CYS 53 -8.951 -0.830 -5.008 390 HA CYS 53 HA CYS 53 -7.932 -2.801 -3.098 391 HB2 CYS 53 HB2 CYS 53 -10.790 -1.937 -3.590 392 HB3 CYS 53 HB3 CYS 53 -10.267 -3.145 -2.433 393 H CYS 54 H CYS 54 -8.341 -5.048 -3.549 394 HA CYS 54 HA CYS 54 -9.760 -5.694 -5.969 395 HB2 CYS 54 HB2 CYS 54 -7.700 -7.144 -6.659 396 HB3 CYS 54 HB3 CYS 54 -7.836 -5.470 -7.160 397 H ARG 55 H ARG 55 -9.863 -8.198 -6.155 398 HA ARG 55 HA ARG 55 -9.812 -9.254 -3.444 399 HB2 ARG 55 HB2 ARG 55 -11.556 -10.023 -5.838 400 HB3 ARG 55 HB3 ARG 55 -11.578 -10.874 -4.307 401 HG2 ARG 55 HG2 ARG 55 -12.635 -9.126 -3.179 402 HG3 ARG 55 HG3 ARG 55 -11.933 -7.890 -4.203 403 HD2 ARG 55 HD2 ARG 55 -14.170 -7.884 -4.929 404 HD3 ARG 55 HD3 ARG 55 -13.426 -8.947 -6.107 405 HE ARG 55 HE ARG 55 -14.581 -10.778 -5.180 406 HH11 ARG 55 HH22 ARG 55 -14.830 -7.998 -3.037 407 HH12 ARG 55 HH21 ARG 55 -16.025 -8.730 -2.018 408 HH21 ARG 55 HH12 ARG 55 -16.158 -11.743 -3.837 409 HH22 ARG 55 HH11 ARG 55 -16.785 -10.874 -2.477 410 H THR 56 H THR 56 -7.384 -9.307 -4.781 411 HA THR 56 HA THR 56 -7.122 -12.161 -5.401 412 HB THR 56 HB THR 56 -5.378 -11.231 -7.181 413 HG1 THR 56 HG1 THR 56 -6.945 -9.151 -7.827 414 HG21 THR 56 HG21 THR 56 -7.468 -12.423 -7.869 415 HG22 THR 56 HG22 THR 56 -8.397 -10.925 -7.618 416 HG23 THR 56 HG23 THR 56 -7.173 -11.008 -8.908 417 H ASP 57 H ASP 57 -5.221 -13.137 -4.708 418 HA ASP 57 HA ASP 57 -4.090 -11.996 -2.470 419 HB2 ASP 57 HB2 ASP 57 -3.029 -14.197 -4.303 420 HB3 ASP 57 HB3 ASP 57 -2.379 -13.852 -2.713 421 H ARG 58 H ARG 58 -2.016 -10.955 -2.148 422 HA ARG 58 HA ARG 58 -0.517 -9.469 -2.694 423 HB2 ARG 58 HB2 ARG 58 0.394 -11.348 -4.907 424 HB3 ARG 58 HB3 ARG 58 1.387 -10.370 -3.845 425 HG2 ARG 58 HG2 ARG 58 0.319 -11.827 -1.912 426 HG3 ARG 58 HG3 ARG 58 -0.099 -12.936 -3.203 427 HD2 ARG 58 HD2 ARG 58 2.188 -13.335 -3.774 428 HD3 ARG 58 HD3 ARG 58 2.743 -11.889 -2.954 429 HE ARG 58 HE ARG 58 1.608 -13.363 -0.905 430 HH11 ARG 58 HH22 ARG 58 4.035 -14.072 -3.352 431 HH12 ARG 58 HH21 ARG 58 4.876 -15.223 -2.368 432 HH21 ARG 58 HH12 ARG 58 2.717 -14.881 0.394 433 HH22 ARG 58 HH11 ARG 58 4.121 -15.686 -0.223 434 H CYS 59 H CYS 59 -3.035 -9.045 -4.092 435 HA CYS 59 HA CYS 59 -2.328 -8.376 -6.802 436 HB2 CYS 59 HB2 CYS 59 -4.610 -7.874 -7.133 437 HB3 CYS 59 HB3 CYS 59 -4.538 -9.346 -6.186 438 H ASN 60 H ASN 60 -2.435 -6.962 -3.592 439 HA ASN 60 HA ASN 60 -2.485 -4.288 -4.674 440 HB2 ASN 60 HB2 ASN 60 -2.606 -3.571 -2.312 441 HB3 ASN 60 HB3 ASN 60 -3.790 -4.832 -2.594 442 HD21 ASN 60 HD21 ASN 60 -2.136 -3.841 -0.235 443 HD22 ASN 60 HD22 ASN 60 -1.472 -5.270 0.484 444 H ASN 61 H ASN 61 -0.242 -5.590 -5.609 445 HA ASN 61 HA ASN 61 1.897 -5.264 -3.736 446 HB2 ASN 61 HB2 ASN 61 3.217 -6.433 -5.313 447 HB3 ASN 61 HB3 ASN 61 1.622 -7.078 -5.648 448 HD21 ASN 61 HD21 ASN 61 0.490 -6.450 -7.472 449 HD22 ASN 61 HD22 ASN 61 1.233 -5.667 -8.827 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 -6.151 -16.168 1.602 2 H2 LEU 1 H2 LEU 1 -7.098 -15.076 2.411 3 H3 LEU 1 H3 LEU 1 -5.504 -15.252 2.821 4 HA LEU 1 HA LEU 1 -5.470 -14.739 0.186 5 HB2 LEU 1 HB2 LEU 1 -7.750 -14.048 0.215 6 HB3 LEU 1 HB3 LEU 1 -7.502 -13.045 1.631 7 HG LEU 1 HG LEU 1 -5.814 -11.749 0.103 8 HD11 LEU 1 HD11 LEU 1 -6.126 -13.576 -1.708 9 HD12 LEU 1 HD12 LEU 1 -7.633 -12.709 -2.091 10 HD13 LEU 1 HD13 LEU 1 -6.069 -11.866 -2.200 11 HD21 LEU 1 HD21 LEU 1 -7.630 -10.553 0.915 12 HD22 LEU 1 HD22 LEU 1 -7.837 -10.441 -0.849 13 HD23 LEU 1 HD23 LEU 1 -8.817 -11.591 0.091 14 H GLU 2 H GLU 2 -3.662 -13.493 -0.162 15 HA GLU 2 HA GLU 2 -2.587 -12.259 2.251 16 HB2 GLU 2 HB2 GLU 2 -1.002 -13.122 -0.200 17 HB3 GLU 2 HB3 GLU 2 -0.369 -12.681 1.374 18 HG2 GLU 2 HG2 GLU 2 -0.322 -15.064 1.363 19 HG3 GLU 2 HG3 GLU 2 -1.725 -14.660 2.331 20 H CYS 3 H CYS 3 -1.626 -10.141 2.106 21 HA CYS 3 HA CYS 3 -2.055 -8.779 -0.435 22 HB2 CYS 3 HB2 CYS 3 -2.867 -7.520 2.182 23 HB3 CYS 3 HB3 CYS 3 -3.140 -6.917 0.560 24 H HIS 4 H HIS 4 -0.390 -7.291 -0.893 25 HA HIS 4 HA HIS 4 1.987 -7.578 0.535 26 HB2 HIS 4 HB2 HIS 4 1.012 -5.818 -1.684 27 HB3 HIS 4 HB3 HIS 4 2.527 -5.414 -0.901 28 HD1 HIS 4 HD1 HIS 4 4.537 -7.077 -1.208 29 HD2 HIS 4 HD2 HIS 4 1.059 -8.130 -3.303 30 HE1 HIS 4 HE1 HIS 4 5.226 -8.879 -2.877 31 HE2 HIS 4 HE2 HIS 4 3.038 -9.526 -4.097 32 H ASN 5 H ASN 5 3.102 -6.182 1.973 33 HA ASN 5 HA ASN 5 1.416 -4.066 3.056 34 HB2 ASN 5 HB2 ASN 5 2.025 -4.667 5.293 35 HB3 ASN 5 HB3 ASN 5 1.701 -6.205 4.518 36 HD21 ASN 5 HD21 ASN 5 3.102 -7.714 4.943 37 HD22 ASN 5 HD22 ASN 5 4.797 -7.528 5.246 38 H GLN 6 H GLN 6 3.981 -4.602 1.162 39 HA GLN 6 HA GLN 6 6.118 -3.397 2.483 40 HB2 GLN 6 HB2 GLN 6 6.858 -2.999 -0.025 41 HB3 GLN 6 HB3 GLN 6 6.786 -4.626 0.623 42 HG2 GLN 6 HG2 GLN 6 4.877 -5.187 -0.591 43 HG3 GLN 6 HG3 GLN 6 4.256 -3.548 -0.589 44 HE21 GLN 6 HE21 GLN 6 5.149 -5.799 -2.596 45 HE22 GLN 6 HE22 GLN 6 5.942 -4.922 -3.861 46 H GLN 7 H GLN 7 6.949 -1.241 2.396 47 HA GLN 7 HA GLN 7 4.904 0.683 1.624 48 HB2 GLN 7 HB2 GLN 7 5.890 0.462 4.065 49 HB3 GLN 7 HB3 GLN 7 7.260 1.335 3.409 50 HG2 GLN 7 HG2 GLN 7 5.612 3.099 2.553 51 HG3 GLN 7 HG3 GLN 7 4.354 2.266 3.444 52 HE21 GLN 7 HE21 GLN 7 4.423 4.599 4.289 53 HE22 GLN 7 HE22 GLN 7 5.337 4.872 5.735 54 H SER 8 H SER 8 5.638 2.740 0.613 55 HA SER 8 HA SER 8 6.550 3.552 -1.234 56 HB2 SER 8 HB2 SER 8 9.138 3.255 0.341 57 HB3 SER 8 HB3 SER 8 8.728 4.522 -0.799 58 HG SER 8 HG SER 8 7.279 4.051 1.665 59 H SER 9 H SER 9 9.732 2.919 -1.463 60 HA SER 9 HA SER 9 9.265 0.848 -3.400 61 HB2 SER 9 HB2 SER 9 11.642 2.625 -2.740 62 HB3 SER 9 HB3 SER 9 11.775 1.302 -3.881 63 HG SER 9 HG SER 9 10.696 2.428 -5.363 64 H GLN 10 H GLN 10 9.846 0.947 -0.118 65 HA GLN 10 HA GLN 10 11.967 -0.573 0.445 66 HB2 GLN 10 HB2 GLN 10 9.247 -1.036 1.732 67 HB3 GLN 10 HB3 GLN 10 10.820 -1.242 2.476 68 HG2 GLN 10 HG2 GLN 10 9.302 1.281 1.902 69 HG3 GLN 10 HG3 GLN 10 10.287 0.869 3.292 70 HE21 GLN 10 HE21 GLN 10 12.632 0.714 2.959 71 HE22 GLN 10 HE22 GLN 10 13.409 1.815 1.871 72 HA PRO 11 HA PRO 11 11.730 -4.724 -0.874 73 HB2 PRO 11 HB2 PRO 11 11.422 -5.574 1.982 74 HB3 PRO 11 HB3 PRO 11 12.645 -6.075 0.755 75 HG2 PRO 11 HG2 PRO 11 13.291 -4.390 2.690 76 HG3 PRO 11 HG3 PRO 11 13.845 -4.100 0.998 77 HD2 PRO 11 HD2 PRO 11 11.572 -2.848 2.511 78 HD3 PRO 11 HD3 PRO 11 12.809 -2.076 1.450 79 HA PRO 12 HA PRO 12 7.312 -5.388 -1.148 80 HB2 PRO 12 HB2 PRO 12 8.347 -7.885 -2.441 81 HB3 PRO 12 HB3 PRO 12 7.146 -6.685 -3.047 82 HG2 PRO 12 HG2 PRO 12 9.610 -6.725 -4.009 83 HG3 PRO 12 HG3 PRO 12 8.804 -5.160 -3.616 84 HD2 PRO 12 HD2 PRO 12 10.838 -6.714 -2.045 85 HD3 PRO 12 HD3 PRO 12 10.755 -4.945 -2.384 86 H THR 13 H THR 13 6.020 -6.302 0.480 87 HA THR 13 HA THR 13 6.834 -8.918 1.536 88 HB THR 13 HB THR 13 6.041 -7.849 3.816 89 HG1 THR 13 HG1 THR 13 6.488 -5.478 3.667 90 HG21 THR 13 HG21 THR 13 8.632 -6.978 2.433 91 HG22 THR 13 HG22 THR 13 8.298 -6.734 4.165 92 HG23 THR 13 HG23 THR 13 8.426 -8.383 3.507 93 H THR 14 H THR 14 4.932 -9.742 3.051 94 HA THR 14 HA THR 14 2.351 -8.950 1.961 95 HB THR 14 HB THR 14 1.983 -11.537 1.576 96 HG1 THR 14 HG1 THR 14 4.111 -12.017 2.567 97 HG21 THR 14 HG21 THR 14 3.171 -11.428 -0.693 98 HG22 THR 14 HG22 THR 14 2.042 -10.086 -0.390 99 HG23 THR 14 HG23 THR 14 3.795 -9.834 -0.208 100 H LYS 15 H LYS 15 0.530 -9.811 3.197 101 HA LYS 15 HA LYS 15 1.241 -10.996 5.744 102 HB2 LYS 15 HB2 LYS 15 1.483 -8.543 6.078 103 HB3 LYS 15 HB3 LYS 15 -0.187 -8.324 5.596 104 HG2 LYS 15 HG2 LYS 15 -0.802 -10.008 7.464 105 HG3 LYS 15 HG3 LYS 15 0.851 -9.849 8.022 106 HD2 LYS 15 HD2 LYS 15 -0.253 -8.217 9.306 107 HD3 LYS 15 HD3 LYS 15 0.390 -7.262 7.985 108 HE2 LYS 15 HE2 LYS 15 -1.726 -7.084 6.907 109 HE3 LYS 15 HE3 LYS 15 -2.385 -8.469 7.756 110 HZ1 LYS 15 HZ1 LYS 15 -1.765 -6.829 9.760 111 HZ2 LYS 15 HZ2 LYS 15 -2.195 -5.751 8.611 112 HZ3 LYS 15 HZ3 LYS 15 -3.242 -6.918 9.070 113 H THR 16 H THR 16 -0.562 -12.033 6.776 114 HA THR 16 HA THR 16 -2.557 -12.854 4.877 115 HB THR 16 HB THR 16 -2.432 -13.555 7.838 116 HG1 THR 16 HG1 THR 16 -0.836 -14.434 5.534 117 HG21 THR 16 HG21 THR 16 -2.685 -15.890 6.483 118 HG22 THR 16 HG22 THR 16 -4.104 -14.907 6.917 119 HG23 THR 16 HG23 THR 16 -3.419 -14.806 5.278 120 H CYS 17 H CYS 17 -4.599 -12.160 4.626 121 HA CYS 17 HA CYS 17 -5.371 -9.882 6.191 122 HB2 CYS 17 HB2 CYS 17 -7.085 -11.222 4.116 123 HB3 CYS 17 HB3 CYS 17 -7.081 -9.546 4.627 124 H SER 18 H SER 18 -6.587 -10.035 8.048 125 HA SER 18 HA SER 18 -7.865 -12.599 8.528 126 HB2 SER 18 HB2 SER 18 -6.188 -11.740 10.197 127 HB3 SER 18 HB3 SER 18 -7.218 -10.354 10.491 128 HG SER 18 HG SER 18 -8.576 -11.552 11.671 129 H GLY 19 H GLY 19 -10.052 -12.695 8.185 130 HA2 GLY 19 HA2 GLY 19 -12.236 -12.103 8.342 131 HA3 GLY 19 HA3 GLY 19 -11.782 -10.614 9.147 132 H GLU 20 H GLU 20 -9.753 -10.449 6.614 133 HA GLU 20 HA GLU 20 -11.736 -9.037 5.025 134 HB2 GLU 20 HB2 GLU 20 -8.727 -8.732 4.767 135 HB3 GLU 20 HB3 GLU 20 -9.976 -7.608 4.269 136 HG2 GLU 20 HG2 GLU 20 -10.499 -7.009 6.543 137 HG3 GLU 20 HG3 GLU 20 -9.624 -8.382 7.191 138 H THR 21 H THR 21 -11.521 -9.133 2.616 139 HA THR 21 HA THR 21 -10.126 -11.535 1.679 140 HB THR 21 HB THR 21 -12.315 -11.932 0.302 141 HG1 THR 21 HG1 THR 21 -13.862 -10.446 0.842 142 HG21 THR 21 HG21 THR 21 -13.517 -12.986 2.275 143 HG22 THR 21 HG22 THR 21 -11.805 -13.461 2.167 144 HG23 THR 21 HG23 THR 21 -12.314 -12.233 3.350 145 H ASN 22 H ASN 22 -9.934 -8.410 1.605 146 HA ASN 22 HA ASN 22 -9.519 -8.394 -1.272 147 HB2 ASN 22 HB2 ASN 22 -10.704 -6.113 0.399 148 HB3 ASN 22 HB3 ASN 22 -10.256 -5.971 -1.290 149 HD21 ASN 22 HD21 ASN 22 -12.400 -7.507 1.018 150 HD22 ASN 22 HD22 ASN 22 -13.655 -7.968 -0.083 151 H CYS 23 H CYS 23 -7.784 -6.794 -1.911 152 HA CYS 23 HA CYS 23 -6.058 -6.160 0.372 153 HB2 CYS 23 HB2 CYS 23 -5.182 -6.809 -2.449 154 HB3 CYS 23 HB3 CYS 23 -4.140 -6.457 -1.085 155 H TYR 24 H TYR 24 -5.253 -4.025 0.464 156 HA TYR 24 HA TYR 24 -6.232 -2.248 -1.669 157 HB2 TYR 24 HB2 TYR 24 -6.641 -0.668 0.126 158 HB3 TYR 24 HB3 TYR 24 -7.162 -2.200 0.799 159 HD1 TYR 24 HD2 TYR 24 -4.511 0.369 0.857 160 HD2 TYR 24 HD1 TYR 24 -5.959 -3.248 2.624 161 HE1 TYR 24 HE2 TYR 24 -2.914 0.676 2.811 162 HE2 TYR 24 HE1 TYR 24 -4.358 -2.929 4.572 163 HH TYR 24 HH TYR 24 -3.220 -0.604 5.603 164 H LYS 25 H LYS 25 -4.867 -0.487 -2.316 165 HA LYS 25 HA LYS 25 -2.124 -0.643 -1.312 166 HB2 LYS 25 HB2 LYS 25 -2.013 -1.959 -3.287 167 HB3 LYS 25 HB3 LYS 25 -3.012 -0.842 -4.193 168 HG2 LYS 25 HG2 LYS 25 -1.143 0.925 -3.710 169 HG3 LYS 25 HG3 LYS 25 -0.150 -0.443 -3.246 170 HD2 LYS 25 HD2 LYS 25 -0.048 -1.298 -5.419 171 HD3 LYS 25 HD3 LYS 25 -1.609 -0.642 -5.870 172 HE2 LYS 25 HE2 LYS 25 0.374 0.511 -6.970 173 HE3 LYS 25 HE3 LYS 25 -0.712 1.592 -6.121 174 HZ1 LYS 25 HZ1 LYS 25 1.982 1.186 -5.654 175 HZ2 LYS 25 HZ2 LYS 25 0.972 2.201 -4.870 176 HZ3 LYS 25 HZ3 LYS 25 1.191 0.679 -4.319 177 H LYS 26 H LYS 26 -1.581 1.309 -0.516 178 HA LYS 26 HA LYS 26 -2.940 3.630 -1.691 179 HB2 LYS 26 HB2 LYS 26 -3.340 3.049 0.752 180 HB3 LYS 26 HB3 LYS 26 -1.662 3.457 1.047 181 HG2 LYS 26 HG2 LYS 26 -2.233 5.707 -0.209 182 HG3 LYS 26 HG3 LYS 26 -3.902 5.275 0.104 183 HD2 LYS 26 HD2 LYS 26 -1.751 6.077 2.036 184 HD3 LYS 26 HD3 LYS 26 -3.455 6.488 2.037 185 HE2 LYS 26 HE2 LYS 26 -2.203 3.840 2.891 186 HE3 LYS 26 HE3 LYS 26 -3.044 4.989 3.913 187 HZ1 LYS 26 HZ1 LYS 26 -4.618 4.151 1.708 188 HZ2 LYS 26 HZ2 LYS 26 -4.167 2.895 2.649 189 HZ3 LYS 26 HZ3 LYS 26 -4.980 4.152 3.300 190 H TRP 27 H TRP 27 -1.727 5.418 -2.379 191 HA TRP 27 HA TRP 27 1.098 5.485 -1.946 192 HB2 TRP 27 HB2 TRP 27 1.861 5.156 -4.153 193 HB3 TRP 27 HB3 TRP 27 0.893 3.759 -3.726 194 HD1 TRP 27 HD1 TRP 27 0.990 6.646 -6.213 195 HE1 TRP 27 HE1 TRP 27 -0.886 6.420 -8.055 196 HE3 TRP 27 HE3 TRP 27 -1.501 2.830 -3.957 197 HZ2 TRP 27 HZ2 TRP 27 -3.150 4.709 -8.355 198 HZ3 TRP 27 HZ3 TRP 27 -3.535 1.940 -5.091 199 HH2 TRP 27 HH2 TRP 27 -4.367 2.817 -7.215 200 H TRP 28 H TRP 28 1.891 7.602 -2.395 201 HA TRP 28 HA TRP 28 0.287 9.443 -3.885 202 HB2 TRP 28 HB2 TRP 28 -0.241 10.967 -2.107 203 HB3 TRP 28 HB3 TRP 28 -0.984 9.409 -1.801 204 HD1 TRP 28 HD1 TRP 28 1.380 11.891 -0.216 205 HE1 TRP 28 HE1 TRP 28 2.245 11.090 2.145 206 HE3 TRP 28 HE3 TRP 28 -0.350 7.126 -0.616 207 HZ2 TRP 28 HZ2 TRP 28 2.111 8.609 3.549 208 HZ3 TRP 28 HZ3 TRP 28 0.059 5.578 1.295 209 HH2 TRP 28 HH2 TRP 28 1.242 6.252 3.325 210 H SER 29 H SER 29 1.417 11.733 -3.641 211 HA SER 29 HA SER 29 4.264 11.157 -3.591 212 HB2 SER 29 HB2 SER 29 3.087 12.116 -5.679 213 HB3 SER 29 HB3 SER 29 2.910 13.610 -4.780 214 HG SER 29 HG SER 29 5.327 12.312 -5.653 215 H ASP 30 H ASP 30 5.736 12.757 -2.585 216 HA ASP 30 HA ASP 30 4.423 14.642 -0.837 217 HB2 ASP 30 HB2 ASP 30 6.448 12.562 0.117 218 HB3 ASP 30 HB3 ASP 30 5.849 13.889 1.093 219 H HIS 31 H HIS 31 6.250 16.067 0.265 220 HA HIS 31 HA HIS 31 7.962 16.960 -1.778 221 HB2 HIS 31 HB2 HIS 31 7.907 17.639 1.176 222 HB3 HIS 31 HB3 HIS 31 8.794 18.523 -0.050 223 HD1 HIS 31 HD1 HIS 31 6.401 19.664 1.764 224 HD2 HIS 31 HD2 HIS 31 6.135 18.450 -2.243 225 HE1 HIS 31 HE1 HIS 31 4.382 20.877 0.782 226 HE2 HIS 31 HE2 HIS 31 4.302 20.133 -1.696 227 H ARG 32 H ARG 32 8.160 14.305 0.343 228 HA ARG 32 HA ARG 32 11.055 14.432 0.363 229 HB2 ARG 32 HB2 ARG 32 9.142 12.535 1.817 230 HB3 ARG 32 HB3 ARG 32 10.885 12.528 2.000 231 HG2 ARG 32 HG2 ARG 32 9.090 14.919 2.630 232 HG3 ARG 32 HG3 ARG 32 9.702 13.795 3.827 233 HD2 ARG 32 HD2 ARG 32 11.346 15.665 2.061 234 HD3 ARG 32 HD3 ARG 32 11.164 15.749 3.802 235 HE ARG 32 HE ARG 32 12.895 13.903 2.308 236 HH11 ARG 32 HH22 ARG 32 11.295 14.543 5.376 237 HH12 ARG 32 HH21 ARG 32 12.374 13.545 6.293 238 HH21 ARG 32 HH12 ARG 32 14.318 12.587 3.517 239 HH22 ARG 32 HH11 ARG 32 14.106 12.425 5.228 240 H GLY 33 H GLY 33 8.246 12.756 -0.989 241 HA2 GLY 33 HA2 GLY 33 9.316 11.697 -3.189 242 HA3 GLY 33 HA3 GLY 33 9.809 10.518 -1.991 243 H THR 34 H THR 34 8.310 9.252 -3.635 244 HA THR 34 HA THR 34 5.487 9.636 -3.123 245 HB THR 34 HB THR 34 7.194 7.806 -4.870 246 HG1 THR 34 HG1 THR 34 6.343 9.259 -6.391 247 HG21 THR 34 HG21 THR 34 5.412 6.325 -4.753 248 HG22 THR 34 HG22 THR 34 4.322 7.547 -4.056 249 HG23 THR 34 HG23 THR 34 4.627 7.523 -5.810 250 H ILE 35 H ILE 35 4.529 8.921 -1.335 251 HA ILE 35 HA ILE 35 5.785 6.724 0.092 252 HB ILE 35 HB ILE 35 3.492 8.547 0.830 253 HG12 ILE 35 HG12 ILE 35 6.449 8.633 1.456 254 HG13 ILE 35 HG13 ILE 35 5.473 9.860 0.674 255 HG21 ILE 35 HG21 ILE 35 3.814 7.677 3.110 256 HG22 ILE 35 HG22 ILE 35 3.304 6.410 1.969 257 HG23 ILE 35 HG23 ILE 35 5.004 6.510 2.488 258 HD11 ILE 35 HD11 ILE 35 5.270 8.953 3.580 259 HD12 ILE 35 HD12 ILE 35 5.832 10.534 2.985 260 HD13 ILE 35 HD13 ILE 35 4.122 10.073 2.808 261 H ILE 36 H ILE 36 4.951 4.673 0.248 262 HA ILE 36 HA ILE 36 2.323 4.257 -0.985 263 HB ILE 36 HB ILE 36 4.663 2.401 -1.367 264 HG12 ILE 36 HG12 ILE 36 3.709 4.591 -3.236 265 HG13 ILE 36 HG13 ILE 36 5.228 4.574 -2.362 266 HG21 ILE 36 HG21 ILE 36 3.285 1.100 -2.568 267 HG22 ILE 36 HG22 ILE 36 1.996 1.938 -1.672 268 HG23 ILE 36 HG23 ILE 36 2.445 2.485 -3.305 269 HD11 ILE 36 HD11 ILE 36 5.618 3.796 -4.647 270 HD12 ILE 36 HD12 ILE 36 5.842 2.426 -3.533 271 HD13 ILE 36 HD13 ILE 36 4.343 2.565 -4.483 272 H GLU 37 H GLU 37 0.929 3.157 0.300 273 HA GLU 37 HA GLU 37 2.133 1.541 2.401 274 HB2 GLU 37 HB2 GLU 37 0.113 3.761 2.655 275 HB3 GLU 37 HB3 GLU 37 -0.037 2.386 3.731 276 HG2 GLU 37 HG2 GLU 37 2.499 2.718 4.233 277 HG3 GLU 37 HG3 GLU 37 2.334 4.274 3.443 278 H ARG 38 H ARG 38 1.498 -0.547 2.102 279 HA ARG 38 HA ARG 38 -1.160 -0.912 0.971 280 HB2 ARG 38 HB2 ARG 38 1.164 -2.890 0.815 281 HB3 ARG 38 HB3 ARG 38 -0.350 -2.980 -0.062 282 HG2 ARG 38 HG2 ARG 38 0.200 -1.023 -1.395 283 HG3 ARG 38 HG3 ARG 38 1.573 -0.636 -0.377 284 HD2 ARG 38 HD2 ARG 38 2.915 -2.318 -1.293 285 HD3 ARG 38 HD3 ARG 38 1.555 -3.360 -1.658 286 HE ARG 38 HE ARG 38 1.043 -1.942 -3.603 287 HH11 ARG 38 HH22 ARG 38 4.129 -1.323 -2.030 288 HH12 ARG 38 HH21 ARG 38 4.822 -0.540 -3.411 289 HH21 ARG 38 HH12 ARG 38 1.956 -0.908 -5.425 290 HH22 ARG 38 HH11 ARG 38 3.577 -0.302 -5.355 291 H GLY 39 H GLY 39 -2.250 -3.031 1.678 292 HA2 GLY 39 HA2 GLY 39 -1.322 -4.480 3.913 293 HA3 GLY 39 HA3 GLY 39 -2.389 -3.203 4.461 294 H CYS 40 H CYS 40 -3.448 -5.512 5.063 295 HA CYS 40 HA CYS 40 -4.914 -6.622 2.854 296 HB2 CYS 40 HB2 CYS 40 -4.615 -7.288 5.762 297 HB3 CYS 40 HB3 CYS 40 -5.963 -7.946 4.856 298 H GLY 41 H GLY 41 -7.296 -6.620 2.775 299 HA2 GLY 41 HA2 GLY 41 -9.390 -5.883 3.471 300 HA3 GLY 41 HA3 GLY 41 -8.644 -4.699 4.527 301 H CYS 42 H CYS 42 -10.341 -3.274 3.427 302 HA CYS 42 HA CYS 42 -9.040 -1.976 1.183 303 HB2 CYS 42 HB2 CYS 42 -10.556 -3.426 0.041 304 HB3 CYS 42 HB3 CYS 42 -11.874 -3.014 1.119 305 HA PRO 43 HA PRO 43 -10.553 0.728 4.647 306 HB2 PRO 43 HB2 PRO 43 -8.223 2.154 4.773 307 HB3 PRO 43 HB3 PRO 43 -8.427 0.567 5.604 308 HG2 PRO 43 HG2 PRO 43 -7.168 1.181 2.949 309 HG3 PRO 43 HG3 PRO 43 -6.551 0.158 4.300 310 HD2 PRO 43 HD2 PRO 43 -7.771 -0.891 2.147 311 HD3 PRO 43 HD3 PRO 43 -7.987 -1.571 3.803 312 H LYS 44 H LYS 44 -10.277 3.317 4.690 313 HA LYS 44 HA LYS 44 -10.725 4.185 1.920 314 HB2 LYS 44 HB2 LYS 44 -12.668 4.164 3.632 315 HB3 LYS 44 HB3 LYS 44 -11.868 5.542 4.360 316 HG2 LYS 44 HG2 LYS 44 -13.194 6.679 2.840 317 HG3 LYS 44 HG3 LYS 44 -11.797 6.412 1.816 318 HD2 LYS 44 HD2 LYS 44 -13.457 5.595 0.409 319 HD3 LYS 44 HD3 LYS 44 -13.041 4.113 1.247 320 HE2 LYS 44 HE2 LYS 44 -15.410 5.951 1.780 321 HE3 LYS 44 HE3 LYS 44 -15.447 4.266 1.300 322 HZ1 LYS 44 HZ1 LYS 44 -14.337 5.214 3.849 323 HZ2 LYS 44 HZ2 LYS 44 -15.849 4.623 3.668 324 HZ3 LYS 44 HZ3 LYS 44 -14.558 3.658 3.404 325 H VAL 45 H VAL 45 -9.669 6.030 1.166 326 HA VAL 45 HA VAL 45 -7.648 7.087 3.021 327 HB VAL 45 HB VAL 45 -6.212 7.407 1.132 328 HG11 VAL 45 HG11 VAL 45 -7.430 4.625 1.064 329 HG12 VAL 45 HG12 VAL 45 -5.826 5.077 0.440 330 HG13 VAL 45 HG13 VAL 45 -6.168 5.194 2.183 331 HG21 VAL 45 HG21 VAL 45 -7.477 8.011 -0.704 332 HG22 VAL 45 HG22 VAL 45 -7.053 6.333 -1.121 333 HG23 VAL 45 HG23 VAL 45 -8.662 6.705 -0.456 334 H LYS 46 H LYS 46 -7.006 9.402 2.542 335 HA LYS 46 HA LYS 46 -9.441 10.914 2.151 336 HB2 LYS 46 HB2 LYS 46 -6.741 12.065 2.830 337 HB3 LYS 46 HB3 LYS 46 -8.333 12.688 3.214 338 HG2 LYS 46 HG2 LYS 46 -8.622 10.431 4.561 339 HG3 LYS 46 HG3 LYS 46 -6.874 10.342 4.468 340 HD2 LYS 46 HD2 LYS 46 -8.502 12.632 5.665 341 HD3 LYS 46 HD3 LYS 46 -7.550 11.463 6.557 342 HE2 LYS 46 HE2 LYS 46 -6.385 13.393 4.494 343 HE3 LYS 46 HE3 LYS 46 -6.391 13.693 6.221 344 HZ1 LYS 46 HZ1 LYS 46 -5.320 11.303 6.181 345 HZ2 LYS 46 HZ2 LYS 46 -4.823 11.808 4.709 346 HZ3 LYS 46 HZ3 LYS 46 -4.425 12.662 6.043 347 HA PRO 47 HA PRO 47 -8.881 12.608 -1.801 348 HB2 PRO 47 HB2 PRO 47 -8.409 15.286 -0.544 349 HB3 PRO 47 HB3 PRO 47 -9.622 14.792 -1.783 350 HG2 PRO 47 HG2 PRO 47 -10.352 15.195 0.728 351 HG3 PRO 47 HG3 PRO 47 -10.982 13.779 -0.194 352 HD2 PRO 47 HD2 PRO 47 -8.780 13.911 1.844 353 HD3 PRO 47 HD3 PRO 47 -10.113 12.709 1.670 354 H GLY 48 H GLY 48 -7.096 12.716 -3.225 355 HA2 GLY 48 HA2 GLY 48 -5.062 13.690 -3.913 356 HA3 GLY 48 HA3 GLY 48 -4.621 13.968 -2.240 357 H VAL 49 H VAL 49 -5.448 11.304 -1.249 358 HA VAL 49 HA VAL 49 -3.066 9.895 -2.044 359 HB VAL 49 HB VAL 49 -5.177 8.897 -0.154 360 HG11 VAL 49 HG11 VAL 49 -3.014 8.163 1.053 361 HG12 VAL 49 HG12 VAL 49 -3.479 7.306 -0.437 362 HG13 VAL 49 HG13 VAL 49 -2.197 8.540 -0.483 363 HG21 VAL 49 HG21 VAL 49 -5.017 10.790 1.040 364 HG22 VAL 49 HG22 VAL 49 -3.372 10.248 1.452 365 HG23 VAL 49 HG23 VAL 49 -3.625 11.372 0.095 366 H ASN 50 H ASN 50 -2.992 7.821 -3.028 367 HA ASN 50 HA ASN 50 -5.372 7.306 -4.595 368 HB2 ASN 50 HB2 ASN 50 -2.435 6.546 -4.860 369 HB3 ASN 50 HB3 ASN 50 -3.650 5.669 -5.769 370 HD21 ASN 50 HD21 ASN 50 -1.829 8.547 -5.443 371 HD22 ASN 50 HD22 ASN 50 -2.421 9.410 -6.824 372 H LEU 51 H LEU 51 -6.373 5.188 -4.561 373 HA LEU 51 HA LEU 51 -5.193 3.204 -2.790 374 HB2 LEU 51 HB2 LEU 51 -6.564 4.402 -1.273 375 HB3 LEU 51 HB3 LEU 51 -7.898 4.472 -2.408 376 HG LEU 51 HG LEU 51 -8.211 2.035 -2.209 377 HD11 LEU 51 HD11 LEU 51 -6.836 1.322 0.101 378 HD12 LEU 51 HD12 LEU 51 -6.483 0.793 -1.562 379 HD13 LEU 51 HD13 LEU 51 -5.632 2.198 -0.875 380 HD21 LEU 51 HD21 LEU 51 -8.369 2.525 0.609 381 HD22 LEU 51 HD22 LEU 51 -8.782 4.019 -0.267 382 HD23 LEU 51 HD23 LEU 51 -9.668 2.513 -0.609 383 H ASN 52 H ASN 52 -5.647 1.081 -3.410 384 HA ASN 52 HA ASN 52 -7.520 0.811 -5.610 385 HB2 ASN 52 HB2 ASN 52 -5.548 0.776 -6.898 386 HB3 ASN 52 HB3 ASN 52 -4.575 0.142 -5.585 387 HD21 ASN 52 HD21 ASN 52 -7.023 -0.622 -7.990 388 HD22 ASN 52 HD22 ASN 52 -6.733 -2.327 -8.094 389 H CYS 53 H CYS 53 -8.961 -0.804 -4.986 390 HA CYS 53 HA CYS 53 -7.958 -2.797 -3.093 391 HB2 CYS 53 HB2 CYS 53 -10.809 -1.925 -3.605 392 HB3 CYS 53 HB3 CYS 53 -10.297 -3.132 -2.443 393 H CYS 54 H CYS 54 -8.374 -5.041 -3.552 394 HA CYS 54 HA CYS 54 -9.786 -5.685 -5.971 395 HB2 CYS 54 HB2 CYS 54 -7.728 -7.113 -6.691 396 HB3 CYS 54 HB3 CYS 54 -7.866 -5.432 -7.167 397 H ARG 55 H ARG 55 -9.896 -8.181 -6.162 398 HA ARG 55 HA ARG 55 -9.798 -9.255 -3.460 399 HB2 ARG 55 HB2 ARG 55 -11.586 -10.006 -5.827 400 HB3 ARG 55 HB3 ARG 55 -11.580 -10.868 -4.302 401 HG2 ARG 55 HG2 ARG 55 -12.615 -9.127 -3.142 402 HG3 ARG 55 HG3 ARG 55 -11.932 -7.884 -4.171 403 HD2 ARG 55 HD2 ARG 55 -14.054 -9.848 -5.152 404 HD3 ARG 55 HD3 ARG 55 -14.457 -8.299 -4.438 405 HE ARG 55 HE ARG 55 -13.368 -8.751 -7.106 406 HH11 ARG 55 HH22 ARG 55 -13.590 -6.417 -4.481 407 HH12 ARG 55 HH21 ARG 55 -13.340 -5.045 -5.509 408 HH21 ARG 55 HH12 ARG 55 -13.039 -6.941 -8.462 409 HH22 ARG 55 HH11 ARG 55 -13.025 -5.346 -7.789 410 H THR 56 H THR 56 -7.396 -9.297 -4.849 411 HA THR 56 HA THR 56 -7.158 -12.145 -5.525 412 HB THR 56 HB THR 56 -5.391 -11.164 -7.264 413 HG1 THR 56 HG1 THR 56 -7.268 -9.089 -7.586 414 HG21 THR 56 HG21 THR 56 -7.199 -10.866 -8.989 415 HG22 THR 56 HG22 THR 56 -7.439 -12.347 -8.031 416 HG23 THR 56 HG23 THR 56 -8.415 -10.898 -7.689 417 H ASP 57 H ASP 57 -5.255 -13.158 -4.876 418 HA ASP 57 HA ASP 57 -4.133 -12.132 -2.584 419 HB2 ASP 57 HB2 ASP 57 -3.026 -14.210 -4.532 420 HB3 ASP 57 HB3 ASP 57 -2.415 -13.960 -2.908 421 H ARG 58 H ARG 58 -2.118 -11.032 -2.196 422 HA ARG 58 HA ARG 58 -0.656 -9.481 -2.670 423 HB2 ARG 58 HB2 ARG 58 0.388 -11.319 -4.861 424 HB3 ARG 58 HB3 ARG 58 1.316 -10.310 -3.769 425 HG2 ARG 58 HG2 ARG 58 0.245 -11.797 -1.867 426 HG3 ARG 58 HG3 ARG 58 -0.114 -12.918 -3.166 427 HD2 ARG 58 HD2 ARG 58 2.198 -13.253 -3.685 428 HD3 ARG 58 HD3 ARG 58 2.693 -11.798 -2.844 429 HE ARG 58 HE ARG 58 1.562 -13.288 -0.821 430 HH11 ARG 58 HH22 ARG 58 4.003 -14.008 -3.251 431 HH12 ARG 58 HH21 ARG 58 4.832 -15.163 -2.261 432 HH21 ARG 58 HH12 ARG 58 2.656 -14.811 0.486 433 HH22 ARG 58 HH11 ARG 58 4.060 -15.622 -0.121 434 H CYS 59 H CYS 59 -3.100 -9.016 -4.103 435 HA CYS 59 HA CYS 59 -2.353 -8.359 -6.807 436 HB2 CYS 59 HB2 CYS 59 -4.633 -7.808 -7.154 437 HB3 CYS 59 HB3 CYS 59 -4.574 -9.310 -6.253 438 H ASN 60 H ASN 60 -2.482 -6.948 -3.599 439 HA ASN 60 HA ASN 60 -2.503 -4.272 -4.676 440 HB2 ASN 60 HB2 ASN 60 -2.656 -3.554 -2.325 441 HB3 ASN 60 HB3 ASN 60 -3.822 -4.834 -2.599 442 HD21 ASN 60 HD21 ASN 60 -2.149 -3.790 -0.258 443 HD22 ASN 60 HD22 ASN 60 -1.480 -5.208 0.479 444 H ASN 61 H ASN 61 -0.261 -5.617 -5.584 445 HA ASN 61 HA ASN 61 1.863 -5.273 -3.696 446 HB2 ASN 61 HB2 ASN 61 3.288 -6.147 -5.592 447 HB3 ASN 61 HB3 ASN 61 1.949 -7.211 -5.209 448 HD21 ASN 61 HD21 ASN 61 3.557 -6.653 -7.682 449 HD22 ASN 61 HD22 ASN 61 2.405 -6.362 -8.942 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 -5.365 -15.397 2.721 2 H2 LEU 1 H2 LEU 1 -6.415 -16.078 1.637 3 H3 LEU 1 H3 LEU 1 -6.941 -14.892 2.666 4 HA LEU 1 HA LEU 1 -5.464 -14.731 0.235 5 HB2 LEU 1 HB2 LEU 1 -7.734 -14.036 0.233 6 HB3 LEU 1 HB3 LEU 1 -7.511 -13.038 1.657 7 HG LEU 1 HG LEU 1 -5.835 -11.697 0.182 8 HD11 LEU 1 HD11 LEU 1 -7.392 -13.216 -1.923 9 HD12 LEU 1 HD12 LEU 1 -6.502 -11.707 -2.237 10 HD13 LEU 1 HD13 LEU 1 -5.627 -13.158 -1.692 11 HD21 LEU 1 HD21 LEU 1 -7.692 -10.523 0.881 12 HD22 LEU 1 HD22 LEU 1 -7.887 -10.488 -0.887 13 HD23 LEU 1 HD23 LEU 1 -8.834 -11.636 0.090 14 H GLU 2 H GLU 2 -3.647 -13.510 -0.131 15 HA GLU 2 HA GLU 2 -2.570 -12.231 2.256 16 HB2 GLU 2 HB2 GLU 2 -0.937 -13.035 -0.172 17 HB3 GLU 2 HB3 GLU 2 -0.375 -12.727 1.459 18 HG2 GLU 2 HG2 GLU 2 -2.252 -15.025 0.739 19 HG3 GLU 2 HG3 GLU 2 -0.509 -15.192 0.809 20 H CYS 3 H CYS 3 -1.641 -10.108 2.091 21 HA CYS 3 HA CYS 3 -2.069 -8.781 -0.471 22 HB2 CYS 3 HB2 CYS 3 -2.881 -7.488 2.129 23 HB3 CYS 3 HB3 CYS 3 -3.164 -6.914 0.498 24 H HIS 4 H HIS 4 -0.403 -7.305 -0.953 25 HA HIS 4 HA HIS 4 1.973 -7.561 0.478 26 HB2 HIS 4 HB2 HIS 4 0.989 -5.834 -1.763 27 HB3 HIS 4 HB3 HIS 4 2.501 -5.410 -0.985 28 HD1 HIS 4 HD1 HIS 4 4.539 -6.994 -1.339 29 HD2 HIS 4 HD2 HIS 4 1.035 -8.237 -3.281 30 HE1 HIS 4 HE1 HIS 4 5.237 -8.833 -2.965 31 HE2 HIS 4 HE2 HIS 4 3.034 -9.595 -4.089 32 H ASN 5 H ASN 5 3.157 -5.997 1.759 33 HA ASN 5 HA ASN 5 1.461 -3.896 2.837 34 HB2 ASN 5 HB2 ASN 5 2.071 -4.441 5.110 35 HB3 ASN 5 HB3 ASN 5 1.602 -5.961 4.376 36 HD21 ASN 5 HD21 ASN 5 2.867 -7.581 4.820 37 HD22 ASN 5 HD22 ASN 5 4.574 -7.543 5.109 38 H GLN 6 H GLN 6 3.907 -4.337 0.905 39 HA GLN 6 HA GLN 6 6.171 -3.374 2.186 40 HB2 GLN 6 HB2 GLN 6 7.152 -3.438 0.086 41 HB3 GLN 6 HB3 GLN 6 5.775 -4.484 -0.200 42 HG2 GLN 6 HG2 GLN 6 4.590 -2.125 -0.798 43 HG3 GLN 6 HG3 GLN 6 6.246 -1.661 -1.136 44 HE21 GLN 6 HE21 GLN 6 7.463 -3.696 -2.215 45 HE22 GLN 6 HE22 GLN 6 6.704 -4.273 -3.662 46 H GLN 7 H GLN 7 7.080 -1.269 2.364 47 HA GLN 7 HA GLN 7 5.110 0.832 1.931 48 HB2 GLN 7 HB2 GLN 7 6.891 2.014 3.592 49 HB3 GLN 7 HB3 GLN 7 5.534 1.068 4.172 50 HG2 GLN 7 HG2 GLN 7 8.202 -0.254 3.558 51 HG3 GLN 7 HG3 GLN 7 7.923 0.525 5.102 52 HE21 GLN 7 HE21 GLN 7 8.195 -2.340 4.015 53 HE22 GLN 7 HE22 GLN 7 6.918 -3.223 4.783 54 H SER 8 H SER 8 5.593 2.572 0.598 55 HA SER 8 HA SER 8 6.581 3.596 -1.054 56 HB2 SER 8 HB2 SER 8 9.155 3.386 0.555 57 HB3 SER 8 HB3 SER 8 8.687 4.669 -0.543 58 HG SER 8 HG SER 8 7.149 4.045 1.821 59 H SER 9 H SER 9 9.779 3.156 -1.273 60 HA SER 9 HA SER 9 9.456 1.102 -3.253 61 HB2 SER 9 HB2 SER 9 12.023 2.575 -2.553 62 HB3 SER 9 HB3 SER 9 11.618 1.788 -4.066 63 HG SER 9 HG SER 9 10.965 3.734 -4.678 64 H GLN 10 H GLN 10 9.669 0.894 -0.052 65 HA GLN 10 HA GLN 10 11.984 -0.490 0.502 66 HB2 GLN 10 HB2 GLN 10 9.253 -0.883 1.803 67 HB3 GLN 10 HB3 GLN 10 10.806 -1.268 2.519 68 HG2 GLN 10 HG2 GLN 10 10.380 1.551 1.535 69 HG3 GLN 10 HG3 GLN 10 9.557 1.070 3.006 70 HE21 GLN 10 HE21 GLN 10 10.596 1.320 4.825 71 HE22 GLN 10 HE22 GLN 10 12.310 1.421 5.051 72 HA PRO 11 HA PRO 11 11.731 -4.629 -0.852 73 HB2 PRO 11 HB2 PRO 11 11.422 -5.514 1.994 74 HB3 PRO 11 HB3 PRO 11 12.643 -6.003 0.760 75 HG2 PRO 11 HG2 PRO 11 13.297 -4.345 2.714 76 HG3 PRO 11 HG3 PRO 11 13.850 -4.036 1.025 77 HD2 PRO 11 HD2 PRO 11 11.582 -2.795 2.556 78 HD3 PRO 11 HD3 PRO 11 12.821 -2.014 1.504 79 HA PRO 12 HA PRO 12 7.316 -5.293 -1.137 80 HB2 PRO 12 HB2 PRO 12 8.348 -7.796 -2.421 81 HB3 PRO 12 HB3 PRO 12 7.152 -6.593 -3.034 82 HG2 PRO 12 HG2 PRO 12 9.620 -6.643 -3.986 83 HG3 PRO 12 HG3 PRO 12 8.817 -5.075 -3.599 84 HD2 PRO 12 HD2 PRO 12 10.841 -6.632 -2.018 85 HD3 PRO 12 HD3 PRO 12 10.765 -4.863 -2.360 86 H THR 13 H THR 13 6.044 -6.170 0.525 87 HA THR 13 HA THR 13 6.836 -8.797 1.577 88 HB THR 13 HB THR 13 6.039 -7.715 3.852 89 HG1 THR 13 HG1 THR 13 6.425 -5.361 3.717 90 HG21 THR 13 HG21 THR 13 8.640 -6.864 2.475 91 HG22 THR 13 HG22 THR 13 8.301 -6.613 4.204 92 HG23 THR 13 HG23 THR 13 8.422 -8.265 3.551 93 H THR 14 H THR 14 4.936 -9.628 3.076 94 HA THR 14 HA THR 14 2.358 -8.831 1.974 95 HB THR 14 HB THR 14 1.986 -11.422 1.620 96 HG1 THR 14 HG1 THR 14 4.002 -12.511 1.375 97 HG21 THR 14 HG21 THR 14 3.168 -11.346 -0.646 98 HG22 THR 14 HG22 THR 14 2.065 -9.979 -0.358 99 HG23 THR 14 HG23 THR 14 3.822 -9.758 -0.179 100 H LYS 15 H LYS 15 0.528 -9.668 3.212 101 HA LYS 15 HA LYS 15 1.231 -10.808 5.785 102 HB2 LYS 15 HB2 LYS 15 0.213 -9.077 7.086 103 HB3 LYS 15 HB3 LYS 15 1.434 -8.344 6.066 104 HG2 LYS 15 HG2 LYS 15 -0.182 -7.399 4.587 105 HG3 LYS 15 HG3 LYS 15 -1.447 -8.488 5.121 106 HD2 LYS 15 HD2 LYS 15 -2.020 -6.478 6.211 107 HD3 LYS 15 HD3 LYS 15 -1.163 -7.352 7.465 108 HE2 LYS 15 HE2 LYS 15 0.947 -6.124 6.857 109 HE3 LYS 15 HE3 LYS 15 0.062 -5.228 5.638 110 HZ1 LYS 15 HZ1 LYS 15 -0.147 -5.056 8.529 111 HZ2 LYS 15 HZ2 LYS 15 -0.078 -3.856 7.423 112 HZ3 LYS 15 HZ3 LYS 15 -1.465 -4.693 7.634 113 H THR 16 H THR 16 -0.565 -11.850 6.822 114 HA THR 16 HA THR 16 -2.531 -12.741 4.923 115 HB THR 16 HB THR 16 -2.421 -13.375 7.900 116 HG1 THR 16 HG1 THR 16 -0.894 -14.601 5.729 117 HG21 THR 16 HG21 THR 16 -2.636 -15.742 6.596 118 HG22 THR 16 HG22 THR 16 -4.070 -14.767 6.998 119 HG23 THR 16 HG23 THR 16 -3.375 -14.694 5.361 120 H CYS 17 H CYS 17 -4.637 -12.187 4.714 121 HA CYS 17 HA CYS 17 -5.442 -9.850 6.195 122 HB2 CYS 17 HB2 CYS 17 -7.115 -11.266 4.139 123 HB3 CYS 17 HB3 CYS 17 -7.147 -9.580 4.614 124 H SER 18 H SER 18 -6.661 -9.992 8.049 125 HA SER 18 HA SER 18 -7.897 -12.570 8.569 126 HB2 SER 18 HB2 SER 18 -6.258 -11.720 10.244 127 HB3 SER 18 HB3 SER 18 -7.230 -10.280 10.472 128 HG SER 18 HG SER 18 -8.251 -11.405 11.974 129 H GLY 19 H GLY 19 -10.080 -12.705 8.214 130 HA2 GLY 19 HA2 GLY 19 -12.273 -12.146 8.342 131 HA3 GLY 19 HA3 GLY 19 -11.851 -10.650 9.149 132 H GLU 20 H GLU 20 -9.806 -10.483 6.616 133 HA GLU 20 HA GLU 20 -11.794 -9.081 5.023 134 HB2 GLU 20 HB2 GLU 20 -8.788 -8.766 4.756 135 HB3 GLU 20 HB3 GLU 20 -10.043 -7.644 4.268 136 HG2 GLU 20 HG2 GLU 20 -10.645 -7.258 6.657 137 HG3 GLU 20 HG3 GLU 20 -9.423 -8.408 7.161 138 H THR 21 H THR 21 -11.539 -9.164 2.605 139 HA THR 21 HA THR 21 -10.147 -11.570 1.679 140 HB THR 21 HB THR 21 -12.336 -11.975 0.297 141 HG1 THR 21 HG1 THR 21 -12.980 -9.708 1.272 142 HG21 THR 21 HG21 THR 21 -11.813 -13.507 2.156 143 HG22 THR 21 HG22 THR 21 -12.329 -12.287 3.344 144 HG23 THR 21 HG23 THR 21 -13.528 -13.043 2.268 145 H ASN 22 H ASN 22 -9.976 -8.442 1.598 146 HA ASN 22 HA ASN 22 -9.566 -8.428 -1.280 147 HB2 ASN 22 HB2 ASN 22 -10.742 -6.151 0.401 148 HB3 ASN 22 HB3 ASN 22 -10.295 -6.000 -1.287 149 HD21 ASN 22 HD21 ASN 22 -12.441 -7.540 1.014 150 HD22 ASN 22 HD22 ASN 22 -13.697 -7.995 -0.089 151 H CYS 23 H CYS 23 -7.834 -6.826 -1.927 152 HA CYS 23 HA CYS 23 -6.091 -6.205 0.346 153 HB2 CYS 23 HB2 CYS 23 -5.248 -6.856 -2.485 154 HB3 CYS 23 HB3 CYS 23 -4.185 -6.484 -1.142 155 H TYR 24 H TYR 24 -5.263 -4.073 0.432 156 HA TYR 24 HA TYR 24 -6.252 -2.285 -1.687 157 HB2 TYR 24 HB2 TYR 24 -6.673 -0.715 0.112 158 HB3 TYR 24 HB3 TYR 24 -7.188 -2.251 0.780 159 HD1 TYR 24 HD2 TYR 24 -4.531 0.317 0.834 160 HD2 TYR 24 HD1 TYR 24 -6.001 -3.284 2.617 161 HE1 TYR 24 HE2 TYR 24 -2.939 0.627 2.791 162 HE2 TYR 24 HE1 TYR 24 -4.403 -2.962 4.568 163 HH TYR 24 HH TYR 24 -3.219 -1.221 5.653 164 H LYS 25 H LYS 25 -4.885 -0.521 -2.322 165 HA LYS 25 HA LYS 25 -2.149 -0.669 -1.301 166 HB2 LYS 25 HB2 LYS 25 -1.996 -1.995 -3.258 167 HB3 LYS 25 HB3 LYS 25 -3.018 -0.914 -4.183 168 HG2 LYS 25 HG2 LYS 25 -1.183 0.899 -3.714 169 HG3 LYS 25 HG3 LYS 25 -0.163 -0.448 -3.248 170 HD2 LYS 25 HD2 LYS 25 0.287 -0.078 -5.575 171 HD3 LYS 25 HD3 LYS 25 -0.707 -1.520 -5.513 172 HE2 LYS 25 HE2 LYS 25 -2.708 0.264 -5.744 173 HE3 LYS 25 HE3 LYS 25 -1.444 1.256 -6.444 174 HZ1 LYS 25 HZ1 LYS 25 -0.961 -0.627 -7.931 175 HZ2 LYS 25 HZ2 LYS 25 -2.266 -1.415 -7.345 176 HZ3 LYS 25 HZ3 LYS 25 -2.455 -0.005 -8.146 177 H LYS 26 H LYS 26 -1.604 1.292 -0.529 178 HA LYS 26 HA LYS 26 -2.964 3.599 -1.731 179 HB2 LYS 26 HB2 LYS 26 -3.376 3.029 0.719 180 HB3 LYS 26 HB3 LYS 26 -1.706 3.466 1.018 181 HG2 LYS 26 HG2 LYS 26 -2.160 5.724 -0.048 182 HG3 LYS 26 HG3 LYS 26 -3.848 5.277 -0.192 183 HD2 LYS 26 HD2 LYS 26 -2.259 5.937 2.274 184 HD3 LYS 26 HD3 LYS 26 -3.892 6.410 1.848 185 HE2 LYS 26 HE2 LYS 26 -4.249 4.834 3.571 186 HE3 LYS 26 HE3 LYS 26 -4.492 3.875 2.124 187 HZ1 LYS 26 HZ1 LYS 26 -2.661 2.705 2.533 188 HZ2 LYS 26 HZ2 LYS 26 -1.777 3.990 3.018 189 HZ3 LYS 26 HZ3 LYS 26 -2.792 3.255 4.065 190 H TRP 27 H TRP 27 -1.749 5.388 -2.417 191 HA TRP 27 HA TRP 27 1.078 5.447 -1.969 192 HB2 TRP 27 HB2 TRP 27 1.839 5.136 -4.182 193 HB3 TRP 27 HB3 TRP 27 0.877 3.734 -3.758 194 HD1 TRP 27 HD1 TRP 27 0.967 6.619 -6.243 195 HE1 TRP 27 HE1 TRP 27 -0.917 6.399 -8.077 196 HE3 TRP 27 HE3 TRP 27 -1.529 2.815 -3.973 197 HZ2 TRP 27 HZ2 TRP 27 -3.190 4.697 -8.366 198 HZ3 TRP 27 HZ3 TRP 27 -3.571 1.932 -5.097 199 HH2 TRP 27 HH2 TRP 27 -4.409 2.811 -7.219 200 H TRP 28 H TRP 28 1.893 7.559 -2.439 201 HA TRP 28 HA TRP 28 0.285 9.417 -3.901 202 HB2 TRP 28 HB2 TRP 28 -0.210 10.940 -2.108 203 HB3 TRP 28 HB3 TRP 28 -0.972 9.390 -1.813 204 HD1 TRP 28 HD1 TRP 28 1.553 11.780 -0.276 205 HE1 TRP 28 HE1 TRP 28 2.373 10.962 2.095 206 HE3 TRP 28 HE3 TRP 28 -0.529 7.150 -0.570 207 HZ2 TRP 28 HZ2 TRP 28 2.066 8.526 3.549 208 HZ3 TRP 28 HZ3 TRP 28 -0.222 5.613 1.369 209 HH2 TRP 28 HH2 TRP 28 1.023 6.236 3.377 210 H SER 29 H SER 29 1.431 11.697 -3.661 211 HA SER 29 HA SER 29 4.278 11.106 -3.608 212 HB2 SER 29 HB2 SER 29 3.006 12.080 -5.694 213 HB3 SER 29 HB3 SER 29 3.041 13.597 -4.816 214 HG SER 29 HG SER 29 5.219 13.741 -5.025 215 H ASP 30 H ASP 30 5.750 12.723 -2.629 216 HA ASP 30 HA ASP 30 4.438 14.651 -0.930 217 HB2 ASP 30 HB2 ASP 30 6.440 12.581 0.090 218 HB3 ASP 30 HB3 ASP 30 5.834 13.929 1.031 219 H HIS 31 H HIS 31 6.266 16.086 0.156 220 HA HIS 31 HA HIS 31 8.006 16.915 -1.891 221 HB2 HIS 31 HB2 HIS 31 8.012 17.674 1.043 222 HB3 HIS 31 HB3 HIS 31 8.789 18.554 -0.259 223 HD1 HIS 31 HD1 HIS 31 7.050 19.528 -2.166 224 HD2 HIS 31 HD2 HIS 31 5.423 18.441 1.544 225 HE1 HIS 31 HE1 HIS 31 4.772 20.668 -2.023 226 HE2 HIS 31 HE2 HIS 31 3.797 19.919 0.254 227 H ARG 32 H ARG 32 8.159 14.305 0.283 228 HA ARG 32 HA ARG 32 11.054 14.414 0.344 229 HB2 ARG 32 HB2 ARG 32 8.995 12.770 1.880 230 HB3 ARG 32 HB3 ARG 32 10.699 12.361 1.918 231 HG2 ARG 32 HG2 ARG 32 10.586 13.771 3.769 232 HG3 ARG 32 HG3 ARG 32 11.009 14.935 2.529 233 HD2 ARG 32 HD2 ARG 32 8.421 15.239 2.212 234 HD3 ARG 32 HD3 ARG 32 8.272 14.416 3.752 235 HE ARG 32 HE ARG 32 10.158 16.365 4.285 236 HH11 ARG 32 HH22 ARG 32 6.932 16.437 2.880 237 HH12 ARG 32 HH21 ARG 32 6.586 18.039 3.441 238 HH21 ARG 32 HH12 ARG 32 9.701 18.478 5.024 239 HH22 ARG 32 HH11 ARG 32 8.171 19.208 4.669 240 H GLY 33 H GLY 33 8.254 12.729 -1.016 241 HA2 GLY 33 HA2 GLY 33 9.346 11.624 -3.182 242 HA3 GLY 33 HA3 GLY 33 9.818 10.465 -1.955 243 H THR 34 H THR 34 8.334 9.176 -3.595 244 HA THR 34 HA THR 34 5.505 9.579 -3.104 245 HB THR 34 HB THR 34 7.217 7.760 -4.855 246 HG1 THR 34 HG1 THR 34 5.119 9.795 -5.146 247 HG21 THR 34 HG21 THR 34 5.430 6.412 -5.364 248 HG22 THR 34 HG22 THR 34 4.723 6.973 -3.830 249 HG23 THR 34 HG23 THR 34 4.302 7.789 -5.355 250 H ILE 35 H ILE 35 4.489 8.818 -1.369 251 HA ILE 35 HA ILE 35 5.756 6.639 0.083 252 HB ILE 35 HB ILE 35 3.478 8.494 0.783 253 HG12 ILE 35 HG12 ILE 35 6.413 8.458 1.496 254 HG13 ILE 35 HG13 ILE 35 5.492 9.745 0.744 255 HG21 ILE 35 HG21 ILE 35 4.817 6.319 2.410 256 HG22 ILE 35 HG22 ILE 35 3.745 7.572 3.080 257 HG23 ILE 35 HG23 ILE 35 3.114 6.399 1.899 258 HD11 ILE 35 HD11 ILE 35 5.262 8.750 3.616 259 HD12 ILE 35 HD12 ILE 35 5.786 10.358 3.060 260 HD13 ILE 35 HD13 ILE 35 4.085 9.864 2.878 261 H ILE 36 H ILE 36 4.898 4.591 0.277 262 HA ILE 36 HA ILE 36 2.301 4.165 -1.016 263 HB ILE 36 HB ILE 36 4.648 2.305 -1.339 264 HG12 ILE 36 HG12 ILE 36 3.738 4.498 -3.225 265 HG13 ILE 36 HG13 ILE 36 5.250 4.454 -2.342 266 HG21 ILE 36 HG21 ILE 36 3.269 0.974 -2.485 267 HG22 ILE 36 HG22 ILE 36 1.952 1.902 -1.729 268 HG23 ILE 36 HG23 ILE 36 2.526 2.337 -3.357 269 HD11 ILE 36 HD11 ILE 36 5.544 3.679 -4.686 270 HD12 ILE 36 HD12 ILE 36 5.918 2.381 -3.527 271 HD13 ILE 36 HD13 ILE 36 4.365 2.376 -4.398 272 H GLU 37 H GLU 37 0.882 3.167 0.310 273 HA GLU 37 HA GLU 37 2.044 1.534 2.426 274 HB2 GLU 37 HB2 GLU 37 0.116 3.817 2.619 275 HB3 GLU 37 HB3 GLU 37 -0.220 2.433 3.639 276 HG2 GLU 37 HG2 GLU 37 2.582 3.595 3.534 277 HG3 GLU 37 HG3 GLU 37 1.357 4.349 4.536 278 H ARG 38 H ARG 38 1.408 -0.556 2.141 279 HA ARG 38 HA ARG 38 -1.244 -0.926 0.998 280 HB2 ARG 38 HB2 ARG 38 1.024 -2.958 0.832 281 HB3 ARG 38 HB3 ARG 38 -0.449 -2.920 -0.118 282 HG2 ARG 38 HG2 ARG 38 0.284 -1.065 -1.422 283 HG3 ARG 38 HG3 ARG 38 1.495 -0.593 -0.246 284 HD2 ARG 38 HD2 ARG 38 2.731 -2.767 -0.744 285 HD3 ARG 38 HD3 ARG 38 1.575 -3.077 -2.024 286 HE ARG 38 HE ARG 38 3.641 -0.946 -2.001 287 HH11 ARG 38 HH22 ARG 38 0.910 -2.441 -3.640 288 HH12 ARG 38 HH21 ARG 38 1.256 -1.698 -5.166 289 HH21 ARG 38 HH12 ARG 38 4.098 0.034 -4.014 290 HH22 ARG 38 HH11 ARG 38 3.081 -0.281 -5.380 291 H GLY 39 H GLY 39 -2.317 -3.059 1.696 292 HA2 GLY 39 HA2 GLY 39 -1.372 -4.516 3.916 293 HA3 GLY 39 HA3 GLY 39 -2.440 -3.246 4.479 294 H CYS 40 H CYS 40 -3.484 -5.565 5.073 295 HA CYS 40 HA CYS 40 -4.952 -6.678 2.869 296 HB2 CYS 40 HB2 CYS 40 -4.656 -7.330 5.781 297 HB3 CYS 40 HB3 CYS 40 -6.004 -7.993 4.878 298 H GLY 41 H GLY 41 -7.330 -6.672 2.776 299 HA2 GLY 41 HA2 GLY 41 -9.429 -5.937 3.459 300 HA3 GLY 41 HA3 GLY 41 -8.691 -4.755 4.522 301 H CYS 42 H CYS 42 -10.363 -3.311 3.430 302 HA CYS 42 HA CYS 42 -9.059 -2.027 1.178 303 HB2 CYS 42 HB2 CYS 42 -10.606 -3.460 0.051 304 HB3 CYS 42 HB3 CYS 42 -11.910 -3.022 1.137 305 HA PRO 43 HA PRO 43 -10.510 0.695 4.656 306 HB2 PRO 43 HB2 PRO 43 -8.158 2.086 4.769 307 HB3 PRO 43 HB3 PRO 43 -8.381 0.502 5.600 308 HG2 PRO 43 HG2 PRO 43 -7.129 1.099 2.939 309 HG3 PRO 43 HG3 PRO 43 -6.520 0.065 4.284 310 HD2 PRO 43 HD2 PRO 43 -7.768 -0.963 2.138 311 HD3 PRO 43 HD3 PRO 43 -7.984 -1.641 3.795 312 H LYS 44 H LYS 44 -10.169 3.285 4.697 313 HA LYS 44 HA LYS 44 -10.608 4.165 1.928 314 HB2 LYS 44 HB2 LYS 44 -12.594 4.151 3.540 315 HB3 LYS 44 HB3 LYS 44 -11.788 5.447 4.399 316 HG2 LYS 44 HG2 LYS 44 -11.624 6.660 2.110 317 HG3 LYS 44 HG3 LYS 44 -12.744 5.455 1.507 318 HD2 LYS 44 HD2 LYS 44 -14.510 6.195 2.898 319 HD3 LYS 44 HD3 LYS 44 -13.426 6.945 4.052 320 HE2 LYS 44 HE2 LYS 44 -14.384 8.778 2.861 321 HE3 LYS 44 HE3 LYS 44 -12.782 8.602 2.173 322 HZ1 LYS 44 HZ1 LYS 44 -13.628 7.929 0.238 323 HZ2 LYS 44 HZ2 LYS 44 -14.822 7.035 0.903 324 HZ3 LYS 44 HZ3 LYS 44 -15.003 8.650 0.744 325 H VAL 45 H VAL 45 -9.543 6.020 1.202 326 HA VAL 45 HA VAL 45 -7.524 7.038 3.080 327 HB VAL 45 HB VAL 45 -6.099 7.408 1.177 328 HG11 VAL 45 HG11 VAL 45 -7.279 4.610 1.186 329 HG12 VAL 45 HG12 VAL 45 -5.720 5.063 0.455 330 HG13 VAL 45 HG13 VAL 45 -5.957 5.215 2.213 331 HG21 VAL 45 HG21 VAL 45 -8.537 6.625 -0.400 332 HG22 VAL 45 HG22 VAL 45 -7.420 7.989 -0.638 333 HG23 VAL 45 HG23 VAL 45 -6.913 6.339 -1.071 334 H LYS 46 H LYS 46 -6.858 9.360 2.614 335 HA LYS 46 HA LYS 46 -9.286 10.895 2.289 336 HB2 LYS 46 HB2 LYS 46 -6.558 12.019 2.904 337 HB3 LYS 46 HB3 LYS 46 -8.134 12.651 3.337 338 HG2 LYS 46 HG2 LYS 46 -8.498 10.642 4.822 339 HG3 LYS 46 HG3 LYS 46 -6.883 10.087 4.431 340 HD2 LYS 46 HD2 LYS 46 -7.710 12.519 6.038 341 HD3 LYS 46 HD3 LYS 46 -6.585 11.249 6.477 342 HE2 LYS 46 HE2 LYS 46 -5.090 12.093 4.537 343 HE3 LYS 46 HE3 LYS 46 -6.145 13.490 4.457 344 HZ1 LYS 46 HZ1 LYS 46 -5.365 12.964 7.112 345 HZ2 LYS 46 HZ2 LYS 46 -4.053 13.138 6.155 346 HZ3 LYS 46 HZ3 LYS 46 -5.171 14.326 6.232 347 HA PRO 47 HA PRO 47 -8.819 12.613 -1.664 348 HB2 PRO 47 HB2 PRO 47 -8.301 15.279 -0.400 349 HB3 PRO 47 HB3 PRO 47 -9.548 14.800 -1.611 350 HG2 PRO 47 HG2 PRO 47 -10.210 15.188 0.921 351 HG3 PRO 47 HG3 PRO 47 -10.871 13.782 0.005 352 HD2 PRO 47 HD2 PRO 47 -8.617 13.888 1.987 353 HD3 PRO 47 HD3 PRO 47 -9.961 12.694 1.838 354 H GLY 48 H GLY 48 -7.068 12.708 -3.128 355 HA2 GLY 48 HA2 GLY 48 -5.048 13.675 -3.866 356 HA3 GLY 48 HA3 GLY 48 -4.564 13.950 -2.204 357 H VAL 49 H VAL 49 -5.380 11.287 -1.197 358 HA VAL 49 HA VAL 49 -3.021 9.871 -2.047 359 HB VAL 49 HB VAL 49 -5.099 8.878 -0.117 360 HG11 VAL 49 HG11 VAL 49 -3.344 7.316 -0.569 361 HG12 VAL 49 HG12 VAL 49 -2.093 8.568 -0.378 362 HG13 VAL 49 HG13 VAL 49 -3.024 8.018 1.035 363 HG21 VAL 49 HG21 VAL 49 -3.530 11.342 0.106 364 HG22 VAL 49 HG22 VAL 49 -4.899 10.762 1.084 365 HG23 VAL 49 HG23 VAL 49 -3.246 10.213 1.452 366 H ASN 50 H ASN 50 -2.976 7.798 -3.038 367 HA ASN 50 HA ASN 50 -5.383 7.304 -4.567 368 HB2 ASN 50 HB2 ASN 50 -2.458 6.508 -4.866 369 HB3 ASN 50 HB3 ASN 50 -3.694 5.643 -5.759 370 HD21 ASN 50 HD21 ASN 50 -1.836 8.501 -5.461 371 HD22 ASN 50 HD22 ASN 50 -2.434 9.368 -6.836 372 H LEU 51 H LEU 51 -6.378 5.171 -4.555 373 HA LEU 51 HA LEU 51 -5.208 3.178 -2.797 374 HB2 LEU 51 HB2 LEU 51 -6.522 4.389 -1.240 375 HB3 LEU 51 HB3 LEU 51 -7.880 4.491 -2.343 376 HG LEU 51 HG LEU 51 -8.249 2.069 -2.146 377 HD11 LEU 51 HD11 LEU 51 -6.515 0.785 -1.594 378 HD12 LEU 51 HD12 LEU 51 -5.622 2.153 -0.888 379 HD13 LEU 51 HD13 LEU 51 -6.818 1.271 0.091 380 HD21 LEU 51 HD21 LEU 51 -8.310 2.490 0.673 381 HD22 LEU 51 HD22 LEU 51 -8.663 4.038 -0.132 382 HD23 LEU 51 HD23 LEU 51 -9.640 2.598 -0.505 383 H ASN 52 H ASN 52 -5.685 1.071 -3.434 384 HA ASN 52 HA ASN 52 -7.634 0.833 -5.570 385 HB2 ASN 52 HB2 ASN 52 -5.467 0.955 -6.721 386 HB3 ASN 52 HB3 ASN 52 -4.751 -0.193 -5.606 387 HD21 ASN 52 HD21 ASN 52 -7.214 0.240 -8.094 388 HD22 ASN 52 HD22 ASN 52 -7.277 -1.400 -8.650 389 H CYS 53 H CYS 53 -9.036 -0.838 -4.996 390 HA CYS 53 HA CYS 53 -8.000 -2.816 -3.104 391 HB2 CYS 53 HB2 CYS 53 -10.870 -1.999 -3.603 392 HB3 CYS 53 HB3 CYS 53 -10.322 -3.183 -2.433 393 H CYS 54 H CYS 54 -8.422 -5.069 -3.557 394 HA CYS 54 HA CYS 54 -9.814 -5.715 -5.987 395 HB2 CYS 54 HB2 CYS 54 -7.751 -7.134 -6.699 396 HB3 CYS 54 HB3 CYS 54 -7.883 -5.451 -7.166 397 H ARG 55 H ARG 55 -9.935 -8.204 -6.177 398 HA ARG 55 HA ARG 55 -9.834 -9.286 -3.477 399 HB2 ARG 55 HB2 ARG 55 -11.634 -10.021 -5.840 400 HB3 ARG 55 HB3 ARG 55 -11.626 -10.889 -4.317 401 HG2 ARG 55 HG2 ARG 55 -12.648 -9.148 -3.147 402 HG3 ARG 55 HG3 ARG 55 -11.964 -7.904 -4.175 403 HD2 ARG 55 HD2 ARG 55 -14.155 -9.844 -5.063 404 HD3 ARG 55 HD3 ARG 55 -14.459 -8.219 -4.480 405 HE ARG 55 HE ARG 55 -12.634 -7.763 -6.479 406 HH11 ARG 55 HH22 ARG 55 -15.617 -9.628 -6.379 407 HH12 ARG 55 HH21 ARG 55 -15.974 -9.387 -8.056 408 HH21 ARG 55 HH12 ARG 55 -13.105 -7.445 -8.693 409 HH22 ARG 55 HH11 ARG 55 -14.536 -8.138 -9.381 410 H THR 56 H THR 56 -7.437 -9.335 -4.872 411 HA THR 56 HA THR 56 -7.214 -12.181 -5.557 412 HB THR 56 HB THR 56 -5.450 -11.203 -7.302 413 HG1 THR 56 HG1 THR 56 -6.423 -9.071 -8.008 414 HG21 THR 56 HG21 THR 56 -8.476 -10.932 -7.712 415 HG22 THR 56 HG22 THR 56 -7.267 -10.894 -9.018 416 HG23 THR 56 HG23 THR 56 -7.502 -12.379 -8.066 417 H ASP 57 H ASP 57 -5.313 -13.204 -4.918 418 HA ASP 57 HA ASP 57 -4.175 -12.185 -2.631 419 HB2 ASP 57 HB2 ASP 57 -3.042 -14.254 -4.573 420 HB3 ASP 57 HB3 ASP 57 -2.499 -14.030 -2.922 421 H ARG 58 H ARG 58 -2.157 -11.090 -2.253 422 HA ARG 58 HA ARG 58 -0.688 -9.548 -2.735 423 HB2 ARG 58 HB2 ARG 58 0.335 -11.401 -4.924 424 HB3 ARG 58 HB3 ARG 58 1.275 -10.387 -3.848 425 HG2 ARG 58 HG2 ARG 58 0.216 -11.855 -1.925 426 HG3 ARG 58 HG3 ARG 58 -0.161 -12.984 -3.212 427 HD2 ARG 58 HD2 ARG 58 2.171 -13.263 -3.793 428 HD3 ARG 58 HD3 ARG 58 2.653 -11.874 -2.839 429 HE ARG 58 HE ARG 58 2.559 -13.186 -0.885 430 HH11 ARG 58 HH22 ARG 58 1.053 -14.910 -3.558 431 HH12 ARG 58 HH21 ARG 58 0.937 -16.407 -2.695 432 HH21 ARG 58 HH12 ARG 58 2.406 -15.161 0.254 433 HH22 ARG 58 HH11 ARG 58 1.712 -16.551 -0.512 434 H CYS 59 H CYS 59 -3.135 -9.073 -4.158 435 HA CYS 59 HA CYS 59 -2.402 -8.429 -6.867 436 HB2 CYS 59 HB2 CYS 59 -4.680 -7.844 -7.193 437 HB3 CYS 59 HB3 CYS 59 -4.626 -9.353 -6.303 438 H ASN 60 H ASN 60 -2.447 -7.013 -3.668 439 HA ASN 60 HA ASN 60 -2.491 -4.336 -4.737 440 HB2 ASN 60 HB2 ASN 60 -2.438 -3.655 -2.324 441 HB3 ASN 60 HB3 ASN 60 -3.745 -4.778 -2.645 442 HD21 ASN 60 HD21 ASN 60 -2.218 -4.128 -0.196 443 HD22 ASN 60 HD22 ASN 60 -1.609 -5.626 0.423 444 H ASN 61 H ASN 61 -0.284 -5.808 -5.676 445 HA ASN 61 HA ASN 61 1.902 -5.298 -3.880 446 HB2 ASN 61 HB2 ASN 61 1.856 -7.420 -5.183 447 HB3 ASN 61 HB3 ASN 61 1.789 -6.523 -6.687 448 HD21 ASN 61 HD21 ASN 61 3.680 -6.078 -3.704 449 HD22 ASN 61 HD22 ASN 61 5.252 -6.136 -4.427 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 -5.911 -16.159 1.830 2 H2 LEU 1 H2 LEU 1 -7.239 -15.251 2.223 3 H3 LEU 1 H3 LEU 1 -5.807 -15.009 3.017 4 HA LEU 1 HA LEU 1 -5.524 -14.791 0.243 5 HB2 LEU 1 HB2 LEU 1 -7.768 -14.037 0.216 6 HB3 LEU 1 HB3 LEU 1 -7.540 -13.047 1.644 7 HG LEU 1 HG LEU 1 -5.807 -11.755 0.169 8 HD11 LEU 1 HD11 LEU 1 -7.450 -13.193 -1.927 9 HD12 LEU 1 HD12 LEU 1 -6.500 -11.721 -2.240 10 HD13 LEU 1 HD13 LEU 1 -5.683 -13.213 -1.716 11 HD21 LEU 1 HD21 LEU 1 -7.652 -10.565 0.941 12 HD22 LEU 1 HD22 LEU 1 -7.778 -10.418 -0.828 13 HD23 LEU 1 HD23 LEU 1 -8.810 -11.577 0.045 14 H GLU 2 H GLU 2 -3.690 -13.596 -0.143 15 HA GLU 2 HA GLU 2 -2.570 -12.340 2.236 16 HB2 GLU 2 HB2 GLU 2 -1.022 -13.242 -0.224 17 HB3 GLU 2 HB3 GLU 2 -0.375 -12.821 1.350 18 HG2 GLU 2 HG2 GLU 2 -2.022 -14.796 2.158 19 HG3 GLU 2 HG3 GLU 2 -1.826 -15.323 0.498 20 H CYS 3 H CYS 3 -1.609 -10.233 2.071 21 HA CYS 3 HA CYS 3 -2.012 -8.894 -0.487 22 HB2 CYS 3 HB2 CYS 3 -2.841 -7.610 2.114 23 HB3 CYS 3 HB3 CYS 3 -3.085 -7.010 0.485 24 H HIS 4 H HIS 4 -0.333 -7.422 -0.947 25 HA HIS 4 HA HIS 4 2.029 -7.710 0.508 26 HB2 HIS 4 HB2 HIS 4 1.094 -5.959 -1.739 27 HB3 HIS 4 HB3 HIS 4 2.615 -5.585 -0.954 28 HD1 HIS 4 HD1 HIS 4 4.599 -7.252 -1.285 29 HD2 HIS 4 HD2 HIS 4 1.078 -8.333 -3.291 30 HE1 HIS 4 HE1 HIS 4 5.248 -9.097 -2.923 31 HE2 HIS 4 HE2 HIS 4 3.034 -9.758 -4.088 32 H ASN 5 H ASN 5 2.997 -6.500 2.124 33 HA ASN 5 HA ASN 5 1.343 -4.315 3.120 34 HB2 ASN 5 HB2 ASN 5 2.033 -4.884 5.356 35 HB3 ASN 5 HB3 ASN 5 1.666 -6.419 4.594 36 HD21 ASN 5 HD21 ASN 5 3.061 -7.947 4.970 37 HD22 ASN 5 HD22 ASN 5 4.766 -7.782 5.225 38 H GLN 6 H GLN 6 3.808 -4.665 1.136 39 HA GLN 6 HA GLN 6 5.926 -3.371 2.490 40 HB2 GLN 6 HB2 GLN 6 6.791 -3.139 0.040 41 HB3 GLN 6 HB3 GLN 6 6.637 -4.747 0.720 42 HG2 GLN 6 HG2 GLN 6 4.801 -5.294 -0.604 43 HG3 GLN 6 HG3 GLN 6 4.212 -3.645 -0.668 44 HE21 GLN 6 HE21 GLN 6 5.215 -5.960 -2.565 45 HE22 GLN 6 HE22 GLN 6 6.087 -5.114 -3.800 46 H GLN 7 H GLN 7 6.412 -1.189 2.630 47 HA GLN 7 HA GLN 7 4.482 0.562 1.328 48 HB2 GLN 7 HB2 GLN 7 5.590 2.181 3.190 49 HB3 GLN 7 HB3 GLN 7 4.209 1.156 3.527 50 HG2 GLN 7 HG2 GLN 7 5.853 0.818 5.293 51 HG3 GLN 7 HG3 GLN 7 5.774 -0.647 4.334 52 HE21 GLN 7 HE21 GLN 7 7.436 2.508 4.293 53 HE22 GLN 7 HE22 GLN 7 9.020 1.916 3.913 54 H SER 8 H SER 8 5.294 2.654 0.470 55 HA SER 8 HA SER 8 6.611 3.775 -0.843 56 HB2 SER 8 HB2 SER 8 8.955 2.823 0.852 57 HB3 SER 8 HB3 SER 8 8.843 4.316 -0.058 58 HG SER 8 HG SER 8 8.436 4.747 2.159 59 H SER 9 H SER 9 9.693 2.729 -0.929 60 HA SER 9 HA SER 9 9.109 0.940 -3.141 61 HB2 SER 9 HB2 SER 9 11.782 2.257 -2.536 62 HB3 SER 9 HB3 SER 9 11.249 1.563 -4.054 63 HG SER 9 HG SER 9 9.545 3.276 -4.067 64 H GLN 10 H GLN 10 9.813 0.798 0.109 65 HA GLN 10 HA GLN 10 11.968 -0.739 0.476 66 HB2 GLN 10 HB2 GLN 10 9.288 -1.274 1.824 67 HB3 GLN 10 HB3 GLN 10 10.879 -1.597 2.485 68 HG2 GLN 10 HG2 GLN 10 9.562 1.096 1.994 69 HG3 GLN 10 HG3 GLN 10 10.195 0.458 3.498 70 HE21 GLN 10 HE21 GLN 10 10.806 2.283 0.716 71 HE22 GLN 10 HE22 GLN 10 12.501 2.574 0.918 72 HA PRO 11 HA PRO 11 11.698 -4.788 -1.124 73 HB2 PRO 11 HB2 PRO 11 11.490 -5.844 1.672 74 HB3 PRO 11 HB3 PRO 11 12.672 -6.248 0.371 75 HG2 PRO 11 HG2 PRO 11 13.379 -4.703 2.399 76 HG3 PRO 11 HG3 PRO 11 13.874 -4.289 0.715 77 HD2 PRO 11 HD2 PRO 11 11.650 -3.162 2.390 78 HD3 PRO 11 HD3 PRO 11 12.848 -2.309 1.347 79 HA PRO 12 HA PRO 12 7.338 -5.647 -1.369 80 HB2 PRO 12 HB2 PRO 12 8.414 -8.219 -2.467 81 HB3 PRO 12 HB3 PRO 12 7.211 -7.077 -3.174 82 HG2 PRO 12 HG2 PRO 12 9.689 -7.161 -4.095 83 HG3 PRO 12 HG3 PRO 12 8.864 -5.580 -3.825 84 HD2 PRO 12 HD2 PRO 12 10.889 -6.999 -2.120 85 HD3 PRO 12 HD3 PRO 12 10.795 -5.259 -2.584 86 H THR 13 H THR 13 6.026 -6.462 0.295 87 HA THR 13 HA THR 13 6.852 -8.985 1.550 88 HB THR 13 HB THR 13 6.001 -7.763 3.733 89 HG1 THR 13 HG1 THR 13 5.265 -5.819 2.782 90 HG21 THR 13 HG21 THR 13 8.612 -6.961 2.346 91 HG22 THR 13 HG22 THR 13 8.241 -6.616 4.052 92 HG23 THR 13 HG23 THR 13 8.397 -8.300 3.499 93 H THR 14 H THR 14 4.949 -9.767 3.052 94 HA THR 14 HA THR 14 2.366 -9.060 1.914 95 HB THR 14 HB THR 14 2.040 -11.663 1.613 96 HG1 THR 14 HG1 THR 14 3.993 -12.492 2.357 97 HG21 THR 14 HG21 THR 14 3.213 -11.618 -0.653 98 HG22 THR 14 HG22 THR 14 2.103 -10.251 -0.392 99 HG23 THR 14 HG23 THR 14 3.860 -10.018 -0.219 100 H LYS 15 H LYS 15 0.548 -9.953 3.157 101 HA LYS 15 HA LYS 15 1.247 -11.048 5.739 102 HB2 LYS 15 HB2 LYS 15 1.476 -8.535 5.934 103 HB3 LYS 15 HB3 LYS 15 -0.239 -8.412 5.596 104 HG2 LYS 15 HG2 LYS 15 0.131 -8.418 8.030 105 HG3 LYS 15 HG3 LYS 15 -0.745 -9.862 7.560 106 HD2 LYS 15 HD2 LYS 15 1.188 -11.258 7.791 107 HD3 LYS 15 HD3 LYS 15 2.288 -9.894 7.761 108 HE2 LYS 15 HE2 LYS 15 1.829 -9.286 9.986 109 HE3 LYS 15 HE3 LYS 15 0.227 -9.998 9.966 110 HZ1 LYS 15 HZ1 LYS 15 2.044 -11.215 11.193 111 HZ2 LYS 15 HZ2 LYS 15 1.108 -12.108 10.196 112 HZ3 LYS 15 HZ3 LYS 15 2.613 -11.673 9.732 113 H THR 16 H THR 16 -0.558 -12.064 6.778 114 HA THR 16 HA THR 16 -2.566 -12.888 4.891 115 HB THR 16 HB THR 16 -2.434 -13.574 7.855 116 HG1 THR 16 HG1 THR 16 -0.583 -14.765 7.350 117 HG21 THR 16 HG21 THR 16 -3.420 -14.840 5.300 118 HG22 THR 16 HG22 THR 16 -2.700 -15.915 6.522 119 HG23 THR 16 HG23 THR 16 -4.116 -14.919 6.936 120 H CYS 17 H CYS 17 -4.590 -12.155 4.631 121 HA CYS 17 HA CYS 17 -5.341 -9.868 6.183 122 HB2 CYS 17 HB2 CYS 17 -7.085 -11.228 4.146 123 HB3 CYS 17 HB3 CYS 17 -7.067 -9.545 4.633 124 H SER 18 H SER 18 -6.538 -9.985 8.054 125 HA SER 18 HA SER 18 -7.823 -12.535 8.588 126 HB2 SER 18 HB2 SER 18 -7.634 -12.025 10.917 127 HB3 SER 18 HB3 SER 18 -6.101 -11.561 10.205 128 HG SER 18 HG SER 18 -6.468 -9.490 10.672 129 H GLY 19 H GLY 19 -10.013 -12.627 8.262 130 HA2 GLY 19 HA2 GLY 19 -12.193 -12.025 8.421 131 HA3 GLY 19 HA3 GLY 19 -11.730 -10.532 9.212 132 H GLU 20 H GLU 20 -9.716 -10.402 6.661 133 HA GLU 20 HA GLU 20 -11.703 -8.989 5.076 134 HB2 GLU 20 HB2 GLU 20 -8.696 -8.705 4.783 135 HB3 GLU 20 HB3 GLU 20 -9.944 -7.574 4.300 136 HG2 GLU 20 HG2 GLU 20 -10.522 -7.167 6.691 137 HG3 GLU 20 HG3 GLU 20 -9.310 -8.329 7.192 138 H THR 21 H THR 21 -11.415 -9.062 2.644 139 HA THR 21 HA THR 21 -10.071 -11.493 1.724 140 HB THR 21 HB THR 21 -12.260 -11.911 0.368 141 HG1 THR 21 HG1 THR 21 -14.085 -10.830 1.382 142 HG21 THR 21 HG21 THR 21 -12.267 -12.145 3.422 143 HG22 THR 21 HG22 THR 21 -13.474 -12.912 2.363 144 HG23 THR 21 HG23 THR 21 -11.766 -13.402 2.266 145 H ASN 22 H ASN 22 -9.873 -8.369 1.630 146 HA ASN 22 HA ASN 22 -9.487 -8.368 -1.252 147 HB2 ASN 22 HB2 ASN 22 -10.638 -6.080 0.432 148 HB3 ASN 22 HB3 ASN 22 -10.194 -5.932 -1.257 149 HD21 ASN 22 HD21 ASN 22 -12.338 -7.475 1.046 150 HD22 ASN 22 HD22 ASN 22 -13.602 -7.915 -0.053 151 H CYS 23 H CYS 23 -7.754 -6.769 -1.916 152 HA CYS 23 HA CYS 23 -5.981 -6.167 0.340 153 HB2 CYS 23 HB2 CYS 23 -5.157 -6.782 -2.504 154 HB3 CYS 23 HB3 CYS 23 -4.093 -6.467 -1.147 155 H TYR 24 H TYR 24 -5.208 -4.030 0.466 156 HA TYR 24 HA TYR 24 -6.188 -2.229 -1.646 157 HB2 TYR 24 HB2 TYR 24 -6.593 -0.673 0.168 158 HB3 TYR 24 HB3 TYR 24 -7.099 -2.214 0.832 159 HD1 TYR 24 HD2 TYR 24 -4.495 0.393 0.911 160 HD2 TYR 24 HD1 TYR 24 -5.840 -3.294 2.613 161 HE1 TYR 24 HE2 TYR 24 -2.882 0.693 2.852 162 HE2 TYR 24 HE1 TYR 24 -4.222 -2.982 4.549 163 HH TYR 24 HH TYR 24 -1.823 -0.462 4.504 164 H LYS 25 H LYS 25 -4.840 -0.374 -2.174 165 HA LYS 25 HA LYS 25 -2.102 -0.529 -1.194 166 HB2 LYS 25 HB2 LYS 25 -1.907 -1.898 -3.114 167 HB3 LYS 25 HB3 LYS 25 -2.941 -0.860 -4.076 168 HG2 LYS 25 HG2 LYS 25 -1.163 0.997 -3.701 169 HG3 LYS 25 HG3 LYS 25 -0.117 -0.273 -3.096 170 HD2 LYS 25 HD2 LYS 25 -1.208 0.108 -5.895 171 HD3 LYS 25 HD3 LYS 25 0.450 -0.156 -5.392 172 HE2 LYS 25 HE2 LYS 25 -0.020 -2.290 -6.167 173 HE3 LYS 25 HE3 LYS 25 -0.549 -2.492 -4.509 174 HZ1 LYS 25 HZ1 LYS 25 -2.697 -2.486 -5.125 175 HZ2 LYS 25 HZ2 LYS 25 -2.495 -1.447 -6.369 176 HZ3 LYS 25 HZ3 LYS 25 -2.088 -3.019 -6.544 177 H LYS 26 H LYS 26 -1.598 1.455 -0.455 178 HA LYS 26 HA LYS 26 -2.958 3.718 -1.738 179 HB2 LYS 26 HB2 LYS 26 -1.702 3.943 0.968 180 HB3 LYS 26 HB3 LYS 26 -3.086 4.785 0.299 181 HG2 LYS 26 HG2 LYS 26 -4.480 2.775 0.477 182 HG3 LYS 26 HG3 LYS 26 -3.098 1.799 0.935 183 HD2 LYS 26 HD2 LYS 26 -4.739 2.754 2.796 184 HD3 LYS 26 HD3 LYS 26 -3.016 2.664 3.101 185 HE2 LYS 26 HE2 LYS 26 -4.217 5.166 1.866 186 HE3 LYS 26 HE3 LYS 26 -4.291 4.917 3.599 187 HZ1 LYS 26 HZ1 LYS 26 -2.263 5.762 3.596 188 HZ2 LYS 26 HZ2 LYS 26 -1.732 4.344 2.984 189 HZ3 LYS 26 HZ3 LYS 26 -2.060 5.593 1.984 190 H TRP 27 H TRP 27 -1.743 5.526 -2.402 191 HA TRP 27 HA TRP 27 1.075 5.604 -1.910 192 HB2 TRP 27 HB2 TRP 27 1.873 5.284 -4.112 193 HB3 TRP 27 HB3 TRP 27 0.923 3.875 -3.683 194 HD1 TRP 27 HD1 TRP 27 0.999 6.743 -6.193 195 HE1 TRP 27 HE1 TRP 27 -0.856 6.472 -8.051 196 HE3 TRP 27 HE3 TRP 27 -1.454 2.907 -3.929 197 HZ2 TRP 27 HZ2 TRP 27 -3.090 4.724 -8.359 198 HZ3 TRP 27 HZ3 TRP 27 -3.463 1.976 -5.075 199 HH2 TRP 27 HH2 TRP 27 -4.288 2.822 -7.215 200 H TRP 28 H TRP 28 1.879 7.719 -2.366 201 HA TRP 28 HA TRP 28 0.274 9.553 -3.869 202 HB2 TRP 28 HB2 TRP 28 -0.217 11.096 -2.085 203 HB3 TRP 28 HB3 TRP 28 -0.992 9.551 -1.793 204 HD1 TRP 28 HD1 TRP 28 1.441 11.965 -0.195 205 HE1 TRP 28 HE1 TRP 28 2.275 11.132 2.166 206 HE3 TRP 28 HE3 TRP 28 -0.439 7.259 -0.607 207 HZ2 TRP 28 HZ2 TRP 28 2.059 8.654 3.565 208 HZ3 TRP 28 HZ3 TRP 28 -0.084 5.695 1.301 209 HH2 TRP 28 HH2 TRP 28 1.116 6.327 3.335 210 H SER 29 H SER 29 1.412 11.836 -3.664 211 HA SER 29 HA SER 29 4.261 11.258 -3.588 212 HB2 SER 29 HB2 SER 29 2.650 13.397 -5.039 213 HB3 SER 29 HB3 SER 29 4.400 13.427 -4.960 214 HG SER 29 HG SER 29 4.399 12.078 -6.611 215 H ASP 30 H ASP 30 5.722 12.873 -2.608 216 HA ASP 30 HA ASP 30 4.394 14.838 -0.960 217 HB2 ASP 30 HB2 ASP 30 4.749 12.664 0.364 218 HB3 ASP 30 HB3 ASP 30 6.473 12.910 0.169 219 H HIS 31 H HIS 31 6.203 16.302 0.105 220 HA HIS 31 HA HIS 31 7.971 17.082 -1.939 221 HB2 HIS 31 HB2 HIS 31 6.876 18.573 -0.243 222 HB3 HIS 31 HB3 HIS 31 7.960 17.924 0.971 223 HD1 HIS 31 HD1 HIS 31 8.696 20.550 1.129 224 HD2 HIS 31 HD2 HIS 31 9.825 18.476 -2.338 225 HE1 HIS 31 HE1 HIS 31 10.541 21.934 0.037 226 HE2 HIS 31 HE2 HIS 31 11.232 20.581 -2.059 227 H ARG 32 H ARG 32 8.095 14.525 0.293 228 HA ARG 32 HA ARG 32 10.989 14.648 0.407 229 HB2 ARG 32 HB2 ARG 32 9.668 14.255 2.536 230 HB3 ARG 32 HB3 ARG 32 9.064 12.758 1.854 231 HG2 ARG 32 HG2 ARG 32 11.608 12.159 1.504 232 HG3 ARG 32 HG3 ARG 32 11.912 13.447 2.653 233 HD2 ARG 32 HD2 ARG 32 9.938 11.203 3.255 234 HD3 ARG 32 HD3 ARG 32 11.648 11.041 3.603 235 HE ARG 32 HE ARG 32 10.442 13.504 4.663 236 HH11 ARG 32 HH22 ARG 32 11.200 10.128 5.300 237 HH12 ARG 32 HH21 ARG 32 11.147 10.308 7.022 238 HH21 ARG 32 HH12 ARG 32 10.372 13.743 6.934 239 HH22 ARG 32 HH11 ARG 32 10.672 12.378 7.958 240 H GLY 33 H GLY 33 8.221 12.923 -0.969 241 HA2 GLY 33 HA2 GLY 33 9.360 11.775 -3.089 242 HA3 GLY 33 HA3 GLY 33 9.811 10.645 -1.828 243 H THR 34 H THR 34 8.364 9.315 -3.467 244 HA THR 34 HA THR 34 5.524 9.715 -3.019 245 HB THR 34 HB THR 34 7.262 7.905 -4.752 246 HG1 THR 34 HG1 THR 34 6.617 10.246 -5.190 247 HG21 THR 34 HG21 THR 34 4.748 7.123 -3.745 248 HG22 THR 34 HG22 THR 34 4.363 7.899 -5.300 249 HG23 THR 34 HG23 THR 34 5.497 6.528 -5.246 250 H ILE 35 H ILE 35 4.508 8.962 -1.280 251 HA ILE 35 HA ILE 35 5.767 6.776 0.172 252 HB ILE 35 HB ILE 35 3.486 8.621 0.889 253 HG12 ILE 35 HG12 ILE 35 6.430 8.637 1.583 254 HG13 ILE 35 HG13 ILE 35 5.502 9.889 0.781 255 HG21 ILE 35 HG21 ILE 35 3.772 7.724 3.176 256 HG22 ILE 35 HG22 ILE 35 3.211 6.499 2.013 257 HG23 ILE 35 HG23 ILE 35 4.912 6.515 2.536 258 HD11 ILE 35 HD11 ILE 35 5.796 10.566 3.090 259 HD12 ILE 35 HD12 ILE 35 4.091 10.097 2.891 260 HD13 ILE 35 HD13 ILE 35 5.233 8.984 3.681 261 H ILE 36 H ILE 36 4.914 4.729 0.335 262 HA ILE 36 HA ILE 36 2.298 4.324 -0.924 263 HB ILE 36 HB ILE 36 4.612 2.438 -1.300 264 HG12 ILE 36 HG12 ILE 36 3.769 4.706 -3.128 265 HG13 ILE 36 HG13 ILE 36 5.279 4.594 -2.245 266 HG21 ILE 36 HG21 ILE 36 3.221 1.194 -2.540 267 HG22 ILE 36 HG22 ILE 36 1.933 2.072 -1.681 268 HG23 ILE 36 HG23 ILE 36 2.455 2.613 -3.295 269 HD11 ILE 36 HD11 ILE 36 6.040 2.731 -3.543 270 HD12 ILE 36 HD12 ILE 36 4.412 2.422 -4.192 271 HD13 ILE 36 HD13 ILE 36 5.322 3.858 -4.719 272 H GLU 37 H GLU 37 0.897 3.192 0.329 273 HA GLU 37 HA GLU 37 2.088 1.578 2.438 274 HB2 GLU 37 HB2 GLU 37 1.416 3.358 3.768 275 HB3 GLU 37 HB3 GLU 37 0.123 3.831 2.685 276 HG2 GLU 37 HG2 GLU 37 -1.214 1.849 3.392 277 HG3 GLU 37 HG3 GLU 37 0.086 1.336 4.449 278 H ARG 38 H ARG 38 1.482 -0.510 2.082 279 HA ARG 38 HA ARG 38 -1.192 -0.881 0.989 280 HB2 ARG 38 HB2 ARG 38 1.201 -2.763 0.681 281 HB3 ARG 38 HB3 ARG 38 -0.358 -2.936 -0.100 282 HG2 ARG 38 HG2 ARG 38 0.139 -0.519 -1.063 283 HG3 ARG 38 HG3 ARG 38 1.801 -0.875 -0.636 284 HD2 ARG 38 HD2 ARG 38 1.451 -3.121 -1.943 285 HD3 ARG 38 HD3 ARG 38 0.017 -2.361 -2.603 286 HE ARG 38 HE ARG 38 1.401 -1.106 -3.994 287 HH11 ARG 38 HH22 ARG 38 3.252 -2.073 -1.162 288 HH12 ARG 38 HH21 ARG 38 4.732 -1.378 -1.734 289 HH21 ARG 38 HH12 ARG 38 3.353 -0.189 -4.749 290 HH22 ARG 38 HH11 ARG 38 4.790 -0.299 -3.788 291 H GLY 39 H GLY 39 -2.231 -3.034 1.653 292 HA2 GLY 39 HA2 GLY 39 -1.220 -4.567 3.786 293 HA3 GLY 39 HA3 GLY 39 -2.260 -3.315 4.435 294 H CYS 40 H CYS 40 -3.368 -5.559 5.022 295 HA CYS 40 HA CYS 40 -4.879 -6.650 2.832 296 HB2 CYS 40 HB2 CYS 40 -4.554 -7.318 5.738 297 HB3 CYS 40 HB3 CYS 40 -5.921 -7.958 4.847 298 H GLY 41 H GLY 41 -7.265 -6.619 2.796 299 HA2 GLY 41 HA2 GLY 41 -9.335 -5.848 3.528 300 HA3 GLY 41 HA3 GLY 41 -8.553 -4.664 4.557 301 H CYS 42 H CYS 42 -10.238 -3.214 3.485 302 HA CYS 42 HA CYS 42 -8.963 -1.950 1.212 303 HB2 CYS 42 HB2 CYS 42 -10.496 -3.412 0.098 304 HB3 CYS 42 HB3 CYS 42 -11.806 -2.966 1.173 305 HA PRO 43 HA PRO 43 -10.435 0.787 4.664 306 HB2 PRO 43 HB2 PRO 43 -8.106 2.217 4.745 307 HB3 PRO 43 HB3 PRO 43 -8.297 0.637 5.593 308 HG2 PRO 43 HG2 PRO 43 -7.075 1.228 2.916 309 HG3 PRO 43 HG3 PRO 43 -6.438 0.218 4.267 310 HD2 PRO 43 HD2 PRO 43 -7.687 -0.852 2.141 311 HD3 PRO 43 HD3 PRO 43 -7.879 -1.517 3.806 312 H LYS 44 H LYS 44 -10.143 3.381 4.678 313 HA LYS 44 HA LYS 44 -10.621 4.225 1.904 314 HB2 LYS 44 HB2 LYS 44 -12.003 4.887 4.482 315 HB3 LYS 44 HB3 LYS 44 -11.938 6.102 3.221 316 HG2 LYS 44 HG2 LYS 44 -13.090 4.696 1.648 317 HG3 LYS 44 HG3 LYS 44 -12.823 3.256 2.610 318 HD2 LYS 44 HD2 LYS 44 -15.125 3.899 2.952 319 HD3 LYS 44 HD3 LYS 44 -14.271 4.282 4.434 320 HE2 LYS 44 HE2 LYS 44 -15.689 6.181 3.882 321 HE3 LYS 44 HE3 LYS 44 -14.023 6.668 3.634 322 HZ1 LYS 44 HZ1 LYS 44 -15.920 6.938 1.818 323 HZ2 LYS 44 HZ2 LYS 44 -14.335 6.816 1.444 324 HZ3 LYS 44 HZ3 LYS 44 -15.301 5.503 1.344 325 H VAL 45 H VAL 45 -9.581 6.077 1.140 326 HA VAL 45 HA VAL 45 -7.559 7.150 2.984 327 HB VAL 45 HB VAL 45 -6.146 7.494 1.078 328 HG11 VAL 45 HG11 VAL 45 -6.177 5.249 2.174 329 HG12 VAL 45 HG12 VAL 45 -7.294 4.689 0.906 330 HG13 VAL 45 HG13 VAL 45 -5.647 5.210 0.476 331 HG21 VAL 45 HG21 VAL 45 -7.000 6.395 -1.161 332 HG22 VAL 45 HG22 VAL 45 -8.604 6.758 -0.480 333 HG23 VAL 45 HG23 VAL 45 -7.433 8.072 -0.749 334 H LYS 46 H LYS 46 -6.939 9.472 2.505 335 HA LYS 46 HA LYS 46 -9.388 10.967 2.153 336 HB2 LYS 46 HB2 LYS 46 -6.683 12.139 2.775 337 HB3 LYS 46 HB3 LYS 46 -8.272 12.749 3.194 338 HG2 LYS 46 HG2 LYS 46 -8.468 10.422 4.506 339 HG3 LYS 46 HG3 LYS 46 -6.718 10.482 4.450 340 HD2 LYS 46 HD2 LYS 46 -7.181 11.602 6.468 341 HD3 LYS 46 HD3 LYS 46 -6.981 12.935 5.348 342 HE2 LYS 46 HE2 LYS 46 -9.511 12.921 4.997 343 HE3 LYS 46 HE3 LYS 46 -9.629 11.727 6.274 344 HZ1 LYS 46 HZ1 LYS 46 -8.424 14.389 6.589 345 HZ2 LYS 46 HZ2 LYS 46 -9.926 13.975 7.078 346 HZ3 LYS 46 HZ3 LYS 46 -8.620 13.282 7.774 347 HA PRO 47 HA PRO 47 -8.919 12.661 -1.811 348 HB2 PRO 47 HB2 PRO 47 -8.444 15.344 -0.566 349 HB3 PRO 47 HB3 PRO 47 -9.678 14.838 -1.780 350 HG2 PRO 47 HG2 PRO 47 -10.361 15.238 0.744 351 HG3 PRO 47 HG3 PRO 47 -10.997 13.816 -0.164 352 HD2 PRO 47 HD2 PRO 47 -8.757 13.968 1.830 353 HD3 PRO 47 HD3 PRO 47 -10.084 12.755 1.683 354 H GLY 48 H GLY 48 -7.159 12.763 -3.264 355 HA2 GLY 48 HA2 GLY 48 -5.148 13.749 -3.999 356 HA3 GLY 48 HA3 GLY 48 -4.679 14.049 -2.337 357 H VAL 49 H VAL 49 -5.461 11.388 -1.303 358 HA VAL 49 HA VAL 49 -3.077 9.997 -2.113 359 HB VAL 49 HB VAL 49 -5.168 8.992 -0.204 360 HG11 VAL 49 HG11 VAL 49 -2.151 8.727 -0.391 361 HG12 VAL 49 HG12 VAL 49 -3.126 8.137 0.977 362 HG13 VAL 49 HG13 VAL 49 -3.371 7.457 -0.650 363 HG21 VAL 49 HG21 VAL 49 -3.630 11.475 0.020 364 HG22 VAL 49 HG22 VAL 49 -5.004 10.886 0.986 365 HG23 VAL 49 HG23 VAL 49 -3.349 10.359 1.378 366 H ASN 50 H ASN 50 -2.996 7.890 -3.052 367 HA ASN 50 HA ASN 50 -5.369 7.358 -4.626 368 HB2 ASN 50 HB2 ASN 50 -2.431 6.589 -4.870 369 HB3 ASN 50 HB3 ASN 50 -3.645 5.711 -5.779 370 HD21 ASN 50 HD21 ASN 50 -1.811 8.582 -5.466 371 HD22 ASN 50 HD22 ASN 50 -2.392 9.439 -6.855 372 H LEU 51 H LEU 51 -6.340 5.216 -4.602 373 HA LEU 51 HA LEU 51 -5.169 3.255 -2.807 374 HB2 LEU 51 HB2 LEU 51 -6.516 4.458 -1.277 375 HB3 LEU 51 HB3 LEU 51 -7.858 4.549 -2.400 376 HG LEU 51 HG LEU 51 -8.275 2.162 -2.179 377 HD11 LEU 51 HD11 LEU 51 -6.756 1.307 -0.006 378 HD12 LEU 51 HD12 LEU 51 -6.572 0.812 -1.706 379 HD13 LEU 51 HD13 LEU 51 -5.594 2.150 -1.058 380 HD21 LEU 51 HD21 LEU 51 -9.506 2.463 -0.341 381 HD22 LEU 51 HD22 LEU 51 -8.079 2.753 0.682 382 HD23 LEU 51 HD23 LEU 51 -8.775 4.085 -0.271 383 H ASN 52 H ASN 52 -5.627 1.132 -3.417 384 HA ASN 52 HA ASN 52 -7.537 0.851 -5.583 385 HB2 ASN 52 HB2 ASN 52 -5.634 0.776 -6.942 386 HB3 ASN 52 HB3 ASN 52 -4.588 0.262 -5.632 387 HD21 ASN 52 HD21 ASN 52 -6.471 -0.664 -8.301 388 HD22 ASN 52 HD22 ASN 52 -6.308 -2.384 -8.190 389 H CYS 53 H CYS 53 -8.932 -0.828 -5.017 390 HA CYS 53 HA CYS 53 -7.898 -2.789 -3.103 391 HB2 CYS 53 HB2 CYS 53 -10.764 -1.946 -3.581 392 HB3 CYS 53 HB3 CYS 53 -10.225 -3.146 -2.424 393 H CYS 54 H CYS 54 -8.309 -5.039 -3.554 394 HA CYS 54 HA CYS 54 -9.720 -5.678 -5.982 395 HB2 CYS 54 HB2 CYS 54 -7.677 -7.131 -6.677 396 HB3 CYS 54 HB3 CYS 54 -7.772 -5.444 -7.144 397 H ARG 55 H ARG 55 -9.890 -8.162 -6.157 398 HA ARG 55 HA ARG 55 -9.809 -9.236 -3.454 399 HB2 ARG 55 HB2 ARG 55 -11.633 -9.939 -5.808 400 HB3 ARG 55 HB3 ARG 55 -11.638 -10.801 -4.283 401 HG2 ARG 55 HG2 ARG 55 -12.620 -9.035 -3.115 402 HG3 ARG 55 HG3 ARG 55 -11.910 -7.810 -4.147 403 HD2 ARG 55 HD2 ARG 55 -14.163 -9.694 -4.999 404 HD3 ARG 55 HD3 ARG 55 -14.399 -8.041 -4.465 405 HE ARG 55 HE ARG 55 -12.460 -8.050 -6.576 406 HH11 ARG 55 HH22 ARG 55 -15.902 -8.568 -6.061 407 HH12 ARG 55 HH21 ARG 55 -16.346 -8.082 -7.664 408 HH21 ARG 55 HH12 ARG 55 -13.044 -7.408 -8.690 409 HH22 ARG 55 HH11 ARG 55 -14.709 -7.418 -9.169 410 H THR 56 H THR 56 -7.417 -9.344 -4.851 411 HA THR 56 HA THR 56 -7.259 -12.196 -5.527 412 HB THR 56 HB THR 56 -5.486 -11.264 -7.289 413 HG1 THR 56 HG1 THR 56 -7.194 -9.148 -7.751 414 HG21 THR 56 HG21 THR 56 -7.316 -10.919 -8.992 415 HG22 THR 56 HG22 THR 56 -7.554 -12.405 -8.043 416 HG23 THR 56 HG23 THR 56 -8.510 -10.950 -7.673 417 H ASP 57 H ASP 57 -5.369 -13.252 -4.900 418 HA ASP 57 HA ASP 57 -4.199 -12.249 -2.623 419 HB2 ASP 57 HB2 ASP 57 -3.126 -14.343 -4.572 420 HB3 ASP 57 HB3 ASP 57 -2.547 -14.120 -2.933 421 H ARG 58 H ARG 58 -2.160 -11.188 -2.259 422 HA ARG 58 HA ARG 58 -0.674 -9.665 -2.755 423 HB2 ARG 58 HB2 ARG 58 0.320 -11.544 -4.935 424 HB3 ARG 58 HB3 ARG 58 1.275 -10.543 -3.859 425 HG2 ARG 58 HG2 ARG 58 0.192 -11.989 -1.935 426 HG3 ARG 58 HG3 ARG 58 -0.205 -13.115 -3.219 427 HD2 ARG 58 HD2 ARG 58 2.131 -13.413 -3.810 428 HD3 ARG 58 HD3 ARG 58 2.627 -12.053 -2.823 429 HE ARG 58 HE ARG 58 2.619 -13.452 -0.953 430 HH11 ARG 58 HH22 ARG 58 0.644 -14.915 -3.472 431 HH12 ARG 58 HH21 ARG 58 0.388 -16.386 -2.594 432 HH21 ARG 58 HH12 ARG 58 2.282 -15.393 0.205 433 HH22 ARG 58 HH11 ARG 58 1.326 -16.660 -0.489 434 H CYS 59 H CYS 59 -3.112 -9.153 -4.171 435 HA CYS 59 HA CYS 59 -2.387 -8.552 -6.891 436 HB2 CYS 59 HB2 CYS 59 -4.657 -7.896 -7.193 437 HB3 CYS 59 HB3 CYS 59 -4.626 -9.412 -6.314 438 H ASN 60 H ASN 60 -2.438 -7.083 -3.700 439 HA ASN 60 HA ASN 60 -2.356 -4.429 -4.827 440 HB2 ASN 60 HB2 ASN 60 -2.459 -3.666 -2.481 441 HB3 ASN 60 HB3 ASN 60 -3.692 -4.883 -2.742 442 HD21 ASN 60 HD21 ASN 60 -2.140 -3.950 -0.353 443 HD22 ASN 60 HD22 ASN 60 -1.490 -5.378 0.381 444 H ASN 61 H ASN 61 -0.172 -5.881 -5.713 445 HA ASN 61 HA ASN 61 1.976 -5.978 -3.967 446 HB2 ASN 61 HB2 ASN 61 2.126 -5.548 -6.993 447 HB3 ASN 61 HB3 ASN 61 3.335 -6.317 -5.984 448 HD21 ASN 61 HD21 ASN 61 0.368 -6.646 -7.686 449 HD22 ASN 61 HD22 ASN 61 0.093 -8.337 -7.432 Start of MODEL 11 1 H1 LEU 1 H1 LEU 1 -6.603 -16.053 1.586 2 H2 LEU 1 H2 LEU 1 -6.923 -14.861 2.691 3 H3 LEU 1 H3 LEU 1 -5.411 -15.532 2.611 4 HA LEU 1 HA LEU 1 -5.484 -14.766 0.206 5 HB2 LEU 1 HB2 LEU 1 -7.728 -14.022 0.145 6 HB3 LEU 1 HB3 LEU 1 -7.537 -13.058 1.596 7 HG LEU 1 HG LEU 1 -5.778 -11.732 0.176 8 HD11 LEU 1 HD11 LEU 1 -6.443 -11.649 -2.241 9 HD12 LEU 1 HD12 LEU 1 -5.624 -13.147 -1.738 10 HD13 LEU 1 HD13 LEU 1 -7.389 -13.132 -1.970 11 HD21 LEU 1 HD21 LEU 1 -8.778 -11.558 0.037 12 HD22 LEU 1 HD22 LEU 1 -7.622 -10.546 0.937 13 HD23 LEU 1 HD23 LEU 1 -7.752 -10.391 -0.831 14 H GLU 2 H GLU 2 -3.689 -13.481 -0.155 15 HA GLU 2 HA GLU 2 -2.617 -12.257 2.266 16 HB2 GLU 2 HB2 GLU 2 -1.105 -13.342 -0.151 17 HB3 GLU 2 HB3 GLU 2 -0.368 -12.629 1.270 18 HG2 GLU 2 HG2 GLU 2 -1.457 -14.421 2.685 19 HG3 GLU 2 HG3 GLU 2 -2.084 -15.157 1.224 20 H CYS 3 H CYS 3 -1.637 -10.152 2.108 21 HA CYS 3 HA CYS 3 -1.997 -8.827 -0.464 22 HB2 CYS 3 HB2 CYS 3 -2.866 -7.547 2.128 23 HB3 CYS 3 HB3 CYS 3 -3.058 -6.921 0.502 24 H HIS 4 H HIS 4 -0.306 -7.364 -0.910 25 HA HIS 4 HA HIS 4 2.047 -7.662 0.536 26 HB2 HIS 4 HB2 HIS 4 1.097 -5.858 -1.659 27 HB3 HIS 4 HB3 HIS 4 2.612 -5.483 -0.863 28 HD1 HIS 4 HD1 HIS 4 4.628 -7.079 -1.268 29 HD2 HIS 4 HD2 HIS 4 1.107 -8.225 -3.238 30 HE1 HIS 4 HE1 HIS 4 5.301 -8.882 -2.943 31 HE2 HIS 4 HE2 HIS 4 3.088 -9.586 -4.085 32 H ASN 5 H ASN 5 3.131 -6.349 2.049 33 HA ASN 5 HA ASN 5 1.463 -4.220 3.139 34 HB2 ASN 5 HB2 ASN 5 2.040 -4.871 5.367 35 HB3 ASN 5 HB3 ASN 5 1.732 -6.395 4.558 36 HD21 ASN 5 HD21 ASN 5 3.652 -5.069 6.710 37 HD22 ASN 5 HD22 ASN 5 5.162 -5.872 6.434 38 H GLN 6 H GLN 6 3.924 -4.574 1.175 39 HA GLN 6 HA GLN 6 6.088 -3.426 2.577 40 HB2 GLN 6 HB2 GLN 6 6.919 -3.073 0.114 41 HB3 GLN 6 HB3 GLN 6 6.766 -4.704 0.737 42 HG2 GLN 6 HG2 GLN 6 4.888 -5.185 -0.559 43 HG3 GLN 6 HG3 GLN 6 4.328 -3.524 -0.566 44 HE21 GLN 6 HE21 GLN 6 5.279 -5.813 -2.534 45 HE22 GLN 6 HE22 GLN 6 6.137 -4.946 -3.764 46 H GLN 7 H GLN 7 6.906 -1.262 2.465 47 HA GLN 7 HA GLN 7 4.854 0.631 1.638 48 HB2 GLN 7 HB2 GLN 7 5.738 0.490 4.090 49 HB3 GLN 7 HB3 GLN 7 7.188 1.259 3.475 50 HG2 GLN 7 HG2 GLN 7 5.651 3.074 2.474 51 HG3 GLN 7 HG3 GLN 7 4.346 2.363 3.404 52 HE21 GLN 7 HE21 GLN 7 4.593 4.754 4.095 53 HE22 GLN 7 HE22 GLN 7 5.507 5.040 5.538 54 H SER 8 H SER 8 5.493 2.575 0.468 55 HA SER 8 HA SER 8 6.444 3.381 -1.348 56 HB2 SER 8 HB2 SER 8 9.038 3.210 0.227 57 HB3 SER 8 HB3 SER 8 8.547 4.458 -0.901 58 HG SER 8 HG SER 8 7.535 3.950 1.752 59 H SER 9 H SER 9 9.614 2.876 -1.593 60 HA SER 9 HA SER 9 9.238 0.709 -3.430 61 HB2 SER 9 HB2 SER 9 11.602 2.522 -2.794 62 HB3 SER 9 HB3 SER 9 11.701 1.216 -3.958 63 HG SER 9 HG SER 9 10.660 3.728 -4.280 64 H GLN 10 H GLN 10 9.445 0.666 -0.227 65 HA GLN 10 HA GLN 10 11.711 -0.675 0.478 66 HB2 GLN 10 HB2 GLN 10 8.918 -1.142 1.612 67 HB3 GLN 10 HB3 GLN 10 10.435 -1.454 2.433 68 HG2 GLN 10 HG2 GLN 10 9.976 1.326 1.361 69 HG3 GLN 10 HG3 GLN 10 9.070 0.846 2.782 70 HE21 GLN 10 HE21 GLN 10 10.763 2.873 3.043 71 HE22 GLN 10 HE22 GLN 10 12.177 2.447 3.949 72 HA PRO 11 HA PRO 11 11.693 -4.841 -0.812 73 HB2 PRO 11 HB2 PRO 11 11.265 -5.685 2.030 74 HB3 PRO 11 HB3 PRO 11 12.569 -6.148 0.874 75 HG2 PRO 11 HG2 PRO 11 13.050 -4.429 2.826 76 HG3 PRO 11 HG3 PRO 11 13.682 -4.129 1.163 77 HD2 PRO 11 HD2 PRO 11 11.288 -2.952 2.544 78 HD3 PRO 11 HD3 PRO 11 12.551 -2.142 1.544 79 HA PRO 12 HA PRO 12 7.324 -5.672 -1.315 80 HB2 PRO 12 HB2 PRO 12 8.517 -8.141 -2.522 81 HB3 PRO 12 HB3 PRO 12 7.307 -6.992 -3.206 82 HG2 PRO 12 HG2 PRO 12 9.820 -6.950 -4.033 83 HG3 PRO 12 HG3 PRO 12 8.938 -5.413 -3.701 84 HD2 PRO 12 HD2 PRO 12 10.939 -6.876 -2.006 85 HD3 PRO 12 HD3 PRO 12 10.811 -5.115 -2.369 86 H THR 13 H THR 13 6.093 -6.496 0.404 87 HA THR 13 HA THR 13 6.839 -9.147 1.427 88 HB THR 13 HB THR 13 6.098 -8.070 3.721 89 HG1 THR 13 HG1 THR 13 5.388 -6.076 2.611 90 HG21 THR 13 HG21 THR 13 8.387 -7.023 4.056 91 HG22 THR 13 HG22 THR 13 8.465 -8.667 3.378 92 HG23 THR 13 HG23 THR 13 8.697 -7.256 2.319 93 H THR 14 H THR 14 4.933 -9.934 2.952 94 HA THR 14 HA THR 14 2.361 -9.062 1.908 95 HB THR 14 HB THR 14 1.920 -11.631 1.485 96 HG1 THR 14 HG1 THR 14 3.868 -12.539 2.182 97 HG21 THR 14 HG21 THR 14 3.055 -11.515 -0.802 98 HG22 THR 14 HG22 THR 14 1.995 -10.129 -0.450 99 HG23 THR 14 HG23 THR 14 3.761 -9.960 -0.301 100 H LYS 15 H LYS 15 0.532 -9.930 3.146 101 HA LYS 15 HA LYS 15 1.251 -11.161 5.667 102 HB2 LYS 15 HB2 LYS 15 1.567 -8.781 6.131 103 HB3 LYS 15 HB3 LYS 15 -0.036 -8.419 5.523 104 HG2 LYS 15 HG2 LYS 15 -0.988 -9.985 7.292 105 HG3 LYS 15 HG3 LYS 15 0.628 -10.153 7.948 106 HD2 LYS 15 HD2 LYS 15 0.744 -7.708 8.364 107 HD3 LYS 15 HD3 LYS 15 -0.832 -7.487 7.631 108 HE2 LYS 15 HE2 LYS 15 -1.546 -9.336 9.462 109 HE3 LYS 15 HE3 LYS 15 -0.131 -8.720 10.292 110 HZ1 LYS 15 HZ1 LYS 15 -1.432 -7.085 10.951 111 HZ2 LYS 15 HZ2 LYS 15 -1.447 -6.508 9.424 112 HZ3 LYS 15 HZ3 LYS 15 -2.643 -7.495 9.935 113 H THR 16 H THR 16 -0.562 -12.173 6.709 114 HA THR 16 HA THR 16 -2.592 -12.933 4.822 115 HB THR 16 HB THR 16 -2.447 -13.665 7.775 116 HG1 THR 16 HG1 THR 16 -1.033 -14.945 5.572 117 HG21 THR 16 HG21 THR 16 -3.515 -14.858 5.223 118 HG22 THR 16 HG22 THR 16 -2.772 -15.979 6.389 119 HG23 THR 16 HG23 THR 16 -4.159 -14.976 6.879 120 H CYS 17 H CYS 17 -4.622 -12.196 4.598 121 HA CYS 17 HA CYS 17 -5.332 -9.910 6.174 122 HB2 CYS 17 HB2 CYS 17 -7.105 -11.235 4.139 123 HB3 CYS 17 HB3 CYS 17 -7.072 -9.557 4.643 124 H SER 18 H SER 18 -6.519 -10.028 8.052 125 HA SER 18 HA SER 18 -7.818 -12.571 8.580 126 HB2 SER 18 HB2 SER 18 -7.869 -11.672 10.979 127 HB3 SER 18 HB3 SER 18 -6.284 -12.031 10.324 128 HG SER 18 HG SER 18 -7.295 -9.628 11.214 129 H GLY 19 H GLY 19 -10.008 -12.648 8.257 130 HA2 GLY 19 HA2 GLY 19 -12.185 -12.035 8.440 131 HA3 GLY 19 HA3 GLY 19 -11.707 -10.544 9.227 132 H GLU 20 H GLU 20 -9.710 -10.413 6.669 133 HA GLU 20 HA GLU 20 -11.702 -8.999 5.093 134 HB2 GLU 20 HB2 GLU 20 -8.698 -8.714 4.783 135 HB3 GLU 20 HB3 GLU 20 -9.949 -7.580 4.316 136 HG2 GLU 20 HG2 GLU 20 -10.533 -7.523 6.888 137 HG3 GLU 20 HG3 GLU 20 -8.943 -8.227 7.106 138 H THR 21 H THR 21 -11.378 -9.050 2.650 139 HA THR 21 HA THR 21 -10.052 -11.485 1.727 140 HB THR 21 HB THR 21 -12.239 -11.912 0.377 141 HG1 THR 21 HG1 THR 21 -14.077 -10.867 1.502 142 HG21 THR 21 HG21 THR 21 -13.463 -12.889 2.385 143 HG22 THR 21 HG22 THR 21 -11.761 -13.397 2.276 144 HG23 THR 21 HG23 THR 21 -12.239 -12.131 3.432 145 H ASN 22 H ASN 22 -9.860 -8.360 1.639 146 HA ASN 22 HA ASN 22 -9.473 -8.354 -1.242 147 HB2 ASN 22 HB2 ASN 22 -10.636 -6.071 0.439 148 HB3 ASN 22 HB3 ASN 22 -10.195 -5.924 -1.250 149 HD21 ASN 22 HD21 ASN 22 -12.330 -7.468 1.059 150 HD22 ASN 22 HD22 ASN 22 -13.593 -7.918 -0.038 151 H CYS 23 H CYS 23 -7.751 -6.737 -1.902 152 HA CYS 23 HA CYS 23 -5.982 -6.136 0.356 153 HB2 CYS 23 HB2 CYS 23 -5.135 -6.695 -2.491 154 HB3 CYS 23 HB3 CYS 23 -4.092 -6.435 -1.107 155 H TYR 24 H TYR 24 -5.216 -3.996 0.493 156 HA TYR 24 HA TYR 24 -6.199 -2.188 -1.613 157 HB2 TYR 24 HB2 TYR 24 -6.663 -0.656 0.201 158 HB3 TYR 24 HB3 TYR 24 -7.138 -2.208 0.861 159 HD1 TYR 24 HD1 TYR 24 -4.633 0.482 0.986 160 HD2 TYR 24 HD2 TYR 24 -5.832 -3.284 2.626 161 HE1 TYR 24 HE1 TYR 24 -3.042 0.818 2.941 162 HE2 TYR 24 HE2 TYR 24 -4.237 -2.935 4.575 163 HH TYR 24 HH TYR 24 -3.209 -0.420 5.630 164 H LYS 25 H LYS 25 -4.857 -0.343 -2.143 165 HA LYS 25 HA LYS 25 -2.156 -0.402 -1.074 166 HB2 LYS 25 HB2 LYS 25 -1.870 -1.888 -2.905 167 HB3 LYS 25 HB3 LYS 25 -2.850 -0.904 -3.972 168 HG2 LYS 25 HG2 LYS 25 -1.101 0.974 -3.612 169 HG3 LYS 25 HG3 LYS 25 -0.090 -0.244 -2.862 170 HD2 LYS 25 HD2 LYS 25 0.402 0.075 -5.310 171 HD3 LYS 25 HD3 LYS 25 -0.035 -1.574 -4.907 172 HE2 LYS 25 HE2 LYS 25 -2.249 0.308 -5.724 173 HE3 LYS 25 HE3 LYS 25 -1.170 -0.275 -6.975 174 HZ1 LYS 25 HZ1 LYS 25 -1.889 -2.415 -5.350 175 HZ2 LYS 25 HZ2 LYS 25 -3.254 -1.631 -5.783 176 HZ3 LYS 25 HZ3 LYS 25 -2.232 -2.184 -6.930 177 H LYS 26 H LYS 26 -1.777 1.634 -0.404 178 HA LYS 26 HA LYS 26 -3.080 3.782 -1.923 179 HB2 LYS 26 HB2 LYS 26 -2.632 5.057 0.300 180 HB3 LYS 26 HB3 LYS 26 -3.988 3.954 0.190 181 HG2 LYS 26 HG2 LYS 26 -2.660 2.160 1.270 182 HG3 LYS 26 HG3 LYS 26 -1.246 3.195 1.305 183 HD2 LYS 26 HD2 LYS 26 -3.823 4.125 2.608 184 HD3 LYS 26 HD3 LYS 26 -2.782 2.996 3.452 185 HE2 LYS 26 HE2 LYS 26 -1.888 5.011 4.213 186 HE3 LYS 26 HE3 LYS 26 -0.865 4.737 2.817 187 HZ1 LYS 26 HZ1 LYS 26 -2.083 6.968 3.119 188 HZ2 LYS 26 HZ2 LYS 26 -1.955 6.320 1.625 189 HZ3 LYS 26 HZ3 LYS 26 -3.356 6.191 2.454 190 H TRP 27 H TRP 27 -1.852 5.575 -2.597 191 HA TRP 27 HA TRP 27 0.945 5.669 -1.905 192 HB2 TRP 27 HB2 TRP 27 1.809 5.443 -4.118 193 HB3 TRP 27 HB3 TRP 27 0.916 3.994 -3.701 194 HD1 TRP 27 HD1 TRP 27 0.886 6.878 -6.198 195 HE1 TRP 27 HE1 TRP 27 -0.928 6.526 -8.083 196 HE3 TRP 27 HE3 TRP 27 -1.396 2.906 -3.991 197 HZ2 TRP 27 HZ2 TRP 27 -3.065 4.667 -8.431 198 HZ3 TRP 27 HZ3 TRP 27 -3.339 1.881 -5.170 199 HH2 TRP 27 HH2 TRP 27 -4.179 2.699 -7.315 200 H TRP 28 H TRP 28 1.817 7.778 -2.369 201 HA TRP 28 HA TRP 28 0.230 9.660 -3.835 202 HB2 TRP 28 HB2 TRP 28 -0.213 11.187 -2.022 203 HB3 TRP 28 HB3 TRP 28 -1.017 9.654 -1.750 204 HD1 TRP 28 HD1 TRP 28 1.452 11.999 -0.118 205 HE1 TRP 28 HE1 TRP 28 2.295 11.105 2.218 206 HE3 TRP 28 HE3 TRP 28 -0.467 7.317 -0.625 207 HZ2 TRP 28 HZ2 TRP 28 2.069 8.597 3.561 208 HZ3 TRP 28 HZ3 TRP 28 -0.111 5.707 1.244 209 HH2 TRP 28 HH2 TRP 28 1.107 6.283 3.284 210 H SER 29 H SER 29 1.409 11.911 -3.639 211 HA SER 29 HA SER 29 4.250 11.289 -3.569 212 HB2 SER 29 HB2 SER 29 4.577 12.853 -5.271 213 HB3 SER 29 HB3 SER 29 2.988 12.235 -5.677 214 HG SER 29 HG SER 29 2.114 14.156 -5.286 215 H ASP 30 H ASP 30 5.673 12.520 -2.274 216 HA ASP 30 HA ASP 30 4.381 14.607 -0.704 217 HB2 ASP 30 HB2 ASP 30 6.407 12.528 0.250 218 HB3 ASP 30 HB3 ASP 30 5.852 13.880 1.218 219 H HIS 31 H HIS 31 6.171 16.089 0.342 220 HA HIS 31 HA HIS 31 7.881 16.955 -1.708 221 HB2 HIS 31 HB2 HIS 31 7.494 17.692 1.187 222 HB3 HIS 31 HB3 HIS 31 8.802 18.394 0.256 223 HD1 HIS 31 HD1 HIS 31 8.235 20.480 -1.006 224 HD2 HIS 31 HD2 HIS 31 4.837 18.175 -0.149 225 HE1 HIS 31 HE1 HIS 31 6.229 21.840 -1.803 226 HE2 HIS 31 HE2 HIS 31 4.175 20.349 -1.300 227 H ARG 32 H ARG 32 8.110 14.337 0.454 228 HA ARG 32 HA ARG 32 11.003 14.500 0.477 229 HB2 ARG 32 HB2 ARG 32 9.132 12.569 1.941 230 HB3 ARG 32 HB3 ARG 32 10.869 12.646 2.154 231 HG2 ARG 32 HG2 ARG 32 10.504 15.156 2.770 232 HG3 ARG 32 HG3 ARG 32 8.804 14.751 2.906 233 HD2 ARG 32 HD2 ARG 32 11.033 13.316 4.429 234 HD3 ARG 32 HD3 ARG 32 10.058 14.608 5.100 235 HE ARG 32 HE ARG 32 8.300 12.611 4.044 236 HH11 ARG 32 HH22 ARG 32 10.577 13.073 6.687 237 HH12 ARG 32 HH21 ARG 32 9.780 11.953 7.739 238 HH21 ARG 32 HH12 ARG 32 7.248 11.132 5.432 239 HH22 ARG 32 HH11 ARG 32 7.873 10.841 7.021 240 H GLY 33 H GLY 33 8.217 12.769 -0.856 241 HA2 GLY 33 HA2 GLY 33 9.300 11.696 -3.042 242 HA3 GLY 33 HA3 GLY 33 9.814 10.541 -1.829 243 H THR 34 H THR 34 8.241 9.437 -3.675 244 HA THR 34 HA THR 34 5.452 9.715 -3.071 245 HB THR 34 HB THR 34 7.129 7.832 -4.802 246 HG1 THR 34 HG1 THR 34 6.634 10.286 -5.140 247 HG21 THR 34 HG21 THR 34 5.178 6.521 -4.564 248 HG22 THR 34 HG22 THR 34 4.153 7.938 -4.232 249 HG23 THR 34 HG23 THR 34 4.701 7.606 -5.893 250 H ILE 35 H ILE 35 4.451 8.931 -1.337 251 HA ILE 35 HA ILE 35 5.739 6.735 0.076 252 HB ILE 35 HB ILE 35 3.478 8.585 0.843 253 HG12 ILE 35 HG12 ILE 35 6.425 8.547 1.518 254 HG13 ILE 35 HG13 ILE 35 5.510 9.827 0.748 255 HG21 ILE 35 HG21 ILE 35 3.754 7.645 3.110 256 HG22 ILE 35 HG22 ILE 35 3.183 6.442 1.929 257 HG23 ILE 35 HG23 ILE 35 4.885 6.437 2.453 258 HD11 ILE 35 HD11 ILE 35 5.834 10.450 3.071 259 HD12 ILE 35 HD12 ILE 35 4.119 10.020 2.870 260 HD13 ILE 35 HD13 ILE 35 5.242 8.868 3.631 261 H ILE 36 H ILE 36 4.850 4.696 0.292 262 HA ILE 36 HA ILE 36 2.211 4.299 -0.903 263 HB ILE 36 HB ILE 36 4.508 2.447 -1.485 264 HG12 ILE 36 HG12 ILE 36 3.579 4.784 -3.180 265 HG13 ILE 36 HG13 ILE 36 5.117 4.665 -2.348 266 HG21 ILE 36 HG21 ILE 36 2.415 2.601 -3.465 267 HG22 ILE 36 HG22 ILE 36 2.984 1.207 -2.515 268 HG23 ILE 36 HG23 ILE 36 1.727 2.281 -1.855 269 HD11 ILE 36 HD11 ILE 36 5.708 2.653 -3.680 270 HD12 ILE 36 HD12 ILE 36 4.138 2.746 -4.513 271 HD13 ILE 36 HD13 ILE 36 5.342 4.038 -4.737 272 H GLU 37 H GLU 37 0.898 3.058 0.351 273 HA GLU 37 HA GLU 37 2.233 1.421 2.355 274 HB2 GLU 37 HB2 GLU 37 1.136 3.729 3.116 275 HB3 GLU 37 HB3 GLU 37 -0.358 2.817 3.026 276 HG2 GLU 37 HG2 GLU 37 0.360 1.243 4.684 277 HG3 GLU 37 HG3 GLU 37 2.042 1.708 4.525 278 H ARG 38 H ARG 38 1.673 -0.686 2.050 279 HA ARG 38 HA ARG 38 -0.950 -1.142 0.873 280 HB2 ARG 38 HB2 ARG 38 1.339 -3.150 0.843 281 HB3 ARG 38 HB3 ARG 38 -0.068 -3.106 -0.201 282 HG2 ARG 38 HG2 ARG 38 0.756 -0.983 -1.232 283 HG3 ARG 38 HG3 ARG 38 2.157 -1.011 -0.179 284 HD2 ARG 38 HD2 ARG 38 2.455 -3.480 -1.218 285 HD3 ARG 38 HD3 ARG 38 1.509 -2.797 -2.526 286 HE ARG 38 HE ARG 38 4.243 -2.008 -1.735 287 HH11 ARG 38 HH22 ARG 38 1.390 -1.230 -3.642 288 HH12 ARG 38 HH21 ARG 38 2.244 -0.182 -4.726 289 HH21 ARG 38 HH12 ARG 38 5.370 -0.626 -3.165 290 HH22 ARG 38 HH11 ARG 38 4.522 0.163 -4.453 291 H GLY 39 H GLY 39 -2.163 -3.062 1.668 292 HA2 GLY 39 HA2 GLY 39 -1.249 -4.582 3.886 293 HA3 GLY 39 HA3 GLY 39 -2.280 -3.272 4.426 294 H CYS 40 H CYS 40 -3.404 -5.551 5.033 295 HA CYS 40 HA CYS 40 -4.907 -6.607 2.817 296 HB2 CYS 40 HB2 CYS 40 -4.615 -7.317 5.718 297 HB3 CYS 40 HB3 CYS 40 -5.968 -7.941 4.797 298 H GLY 41 H GLY 41 -7.306 -6.585 2.809 299 HA2 GLY 41 HA2 GLY 41 -9.365 -5.800 3.566 300 HA3 GLY 41 HA3 GLY 41 -8.563 -4.605 4.566 301 H CYS 42 H CYS 42 -10.232 -3.140 3.515 302 HA CYS 42 HA CYS 42 -8.990 -1.913 1.211 303 HB2 CYS 42 HB2 CYS 42 -10.519 -3.391 0.116 304 HB3 CYS 42 HB3 CYS 42 -11.828 -2.943 1.191 305 HA PRO 43 HA PRO 43 -10.474 0.847 4.645 306 HB2 PRO 43 HB2 PRO 43 -8.143 2.275 4.728 307 HB3 PRO 43 HB3 PRO 43 -8.341 0.702 5.587 308 HG2 PRO 43 HG2 PRO 43 -7.104 1.273 2.913 309 HG3 PRO 43 HG3 PRO 43 -6.475 0.271 4.274 310 HD2 PRO 43 HD2 PRO 43 -7.713 -0.812 2.149 311 HD3 PRO 43 HD3 PRO 43 -7.915 -1.465 3.817 312 H LYS 44 H LYS 44 -10.162 3.444 4.640 313 HA LYS 44 HA LYS 44 -10.619 4.270 1.857 314 HB2 LYS 44 HB2 LYS 44 -12.687 4.360 3.073 315 HB3 LYS 44 HB3 LYS 44 -11.939 5.188 4.423 316 HG2 LYS 44 HG2 LYS 44 -11.755 6.449 1.681 317 HG3 LYS 44 HG3 LYS 44 -13.280 6.541 2.540 318 HD2 LYS 44 HD2 LYS 44 -11.758 7.341 4.575 319 HD3 LYS 44 HD3 LYS 44 -10.598 7.712 3.315 320 HE2 LYS 44 HE2 LYS 44 -12.302 9.127 2.153 321 HE3 LYS 44 HE3 LYS 44 -13.473 8.747 3.400 322 HZ1 LYS 44 HZ1 LYS 44 -10.901 9.864 4.177 323 HZ2 LYS 44 HZ2 LYS 44 -12.049 10.858 3.577 324 HZ3 LYS 44 HZ3 LYS 44 -12.347 9.987 4.926 325 H VAL 45 H VAL 45 -9.587 6.133 1.104 326 HA VAL 45 HA VAL 45 -7.583 7.210 2.965 327 HB VAL 45 HB VAL 45 -6.175 7.591 1.046 328 HG11 VAL 45 HG11 VAL 45 -7.289 4.770 1.168 329 HG12 VAL 45 HG12 VAL 45 -5.779 5.222 0.340 330 HG13 VAL 45 HG13 VAL 45 -5.927 5.437 2.101 331 HG21 VAL 45 HG21 VAL 45 -6.988 6.438 -1.172 332 HG22 VAL 45 HG22 VAL 45 -8.608 6.735 -0.496 333 HG23 VAL 45 HG23 VAL 45 -7.499 8.098 -0.782 334 H LYS 46 H LYS 46 -6.952 9.537 2.454 335 HA LYS 46 HA LYS 46 -9.406 11.030 2.141 336 HB2 LYS 46 HB2 LYS 46 -6.685 12.204 2.689 337 HB3 LYS 46 HB3 LYS 46 -8.262 12.822 3.137 338 HG2 LYS 46 HG2 LYS 46 -8.419 10.486 4.463 339 HG3 LYS 46 HG3 LYS 46 -6.670 10.586 4.392 340 HD2 LYS 46 HD2 LYS 46 -6.647 12.712 5.555 341 HD3 LYS 46 HD3 LYS 46 -8.378 12.914 5.368 342 HE2 LYS 46 HE2 LYS 46 -8.843 11.075 6.901 343 HE3 LYS 46 HE3 LYS 46 -7.158 10.594 6.930 344 HZ1 LYS 46 HZ1 LYS 46 -8.111 13.211 7.860 345 HZ2 LYS 46 HZ2 LYS 46 -7.854 11.933 8.843 346 HZ3 LYS 46 HZ3 LYS 46 -6.606 12.602 8.031 347 HA PRO 47 HA PRO 47 -9.038 12.674 -1.854 348 HB2 PRO 47 HB2 PRO 47 -8.569 15.376 -0.647 349 HB3 PRO 47 HB3 PRO 47 -9.821 14.843 -1.830 350 HG2 PRO 47 HG2 PRO 47 -10.457 15.262 0.703 351 HG3 PRO 47 HG3 PRO 47 -11.095 13.823 -0.177 352 HD2 PRO 47 HD2 PRO 47 -8.817 14.022 1.770 353 HD3 PRO 47 HD3 PRO 47 -10.132 12.793 1.663 354 H GLY 48 H GLY 48 -7.308 12.776 -3.341 355 HA2 GLY 48 HA2 GLY 48 -5.324 13.775 -4.130 356 HA3 GLY 48 HA3 GLY 48 -4.826 14.105 -2.482 357 H VAL 49 H VAL 49 -5.559 11.447 -1.399 358 HA VAL 49 HA VAL 49 -3.171 10.075 -2.232 359 HB VAL 49 HB VAL 49 -5.226 9.091 -0.268 360 HG11 VAL 49 HG11 VAL 49 -3.279 8.108 0.840 361 HG12 VAL 49 HG12 VAL 49 -3.360 7.594 -0.863 362 HG13 VAL 49 HG13 VAL 49 -2.199 8.849 -0.366 363 HG21 VAL 49 HG21 VAL 49 -3.349 10.459 1.248 364 HG22 VAL 49 HG22 VAL 49 -3.663 11.562 -0.113 365 HG23 VAL 49 HG23 VAL 49 -5.012 10.993 0.900 366 H ASN 50 H ASN 50 -3.072 7.981 -3.176 367 HA ASN 50 HA ASN 50 -5.456 7.400 -4.706 368 HB2 ASN 50 HB2 ASN 50 -2.526 6.579 -4.941 369 HB3 ASN 50 HB3 ASN 50 -3.764 5.761 -5.872 370 HD21 ASN 50 HD21 ASN 50 -1.826 8.553 -5.506 371 HD22 ASN 50 HD22 ASN 50 -2.369 9.454 -6.881 372 H LEU 51 H LEU 51 -6.349 5.196 -4.722 373 HA LEU 51 HA LEU 51 -5.194 3.289 -2.875 374 HB2 LEU 51 HB2 LEU 51 -6.537 4.503 -1.352 375 HB3 LEU 51 HB3 LEU 51 -7.886 4.576 -2.469 376 HG LEU 51 HG LEU 51 -8.247 2.161 -2.233 377 HD11 LEU 51 HD11 LEU 51 -6.472 0.916 -1.698 378 HD12 LEU 51 HD12 LEU 51 -5.628 2.282 -0.929 379 HD13 LEU 51 HD13 LEU 51 -6.836 1.352 -0.011 380 HD21 LEU 51 HD21 LEU 51 -8.348 2.553 0.565 381 HD22 LEU 51 HD22 LEU 51 -8.609 4.144 -0.190 382 HD23 LEU 51 HD23 LEU 51 -9.650 2.769 -0.630 383 H ASN 52 H ASN 52 -5.662 1.154 -3.446 384 HA ASN 52 HA ASN 52 -7.571 0.845 -5.609 385 HB2 ASN 52 HB2 ASN 52 -5.522 0.871 -6.850 386 HB3 ASN 52 HB3 ASN 52 -4.639 0.032 -5.591 387 HD21 ASN 52 HD21 ASN 52 -5.100 -2.199 -5.183 388 HD22 ASN 52 HD22 ASN 52 -5.667 -3.237 -6.448 389 H CYS 53 H CYS 53 -8.951 -0.858 -5.066 390 HA CYS 53 HA CYS 53 -7.927 -2.782 -3.108 391 HB2 CYS 53 HB2 CYS 53 -10.786 -1.917 -3.594 392 HB3 CYS 53 HB3 CYS 53 -10.269 -3.135 -2.444 393 H CYS 54 H CYS 54 -8.262 -5.026 -3.563 394 HA CYS 54 HA CYS 54 -9.711 -5.706 -5.961 395 HB2 CYS 54 HB2 CYS 54 -7.656 -7.138 -6.667 396 HB3 CYS 54 HB3 CYS 54 -7.782 -5.458 -7.149 397 H ARG 55 H ARG 55 -9.847 -8.194 -6.116 398 HA ARG 55 HA ARG 55 -9.731 -9.243 -3.404 399 HB2 ARG 55 HB2 ARG 55 -11.548 -10.005 -5.745 400 HB3 ARG 55 HB3 ARG 55 -11.535 -10.848 -4.209 401 HG2 ARG 55 HG2 ARG 55 -12.545 -9.084 -3.062 402 HG3 ARG 55 HG3 ARG 55 -11.860 -7.860 -4.113 403 HD2 ARG 55 HD2 ARG 55 -13.909 -9.813 -5.211 404 HD3 ARG 55 HD3 ARG 55 -14.439 -8.424 -4.283 405 HE ARG 55 HE ARG 55 -12.622 -7.408 -6.176 406 HH11 ARG 55 HH22 ARG 55 -15.685 -9.139 -6.239 407 HH12 ARG 55 HH21 ARG 55 -16.184 -8.459 -7.752 408 HH21 ARG 55 HH12 ARG 55 -13.280 -6.511 -8.172 409 HH22 ARG 55 HH11 ARG 55 -14.807 -6.954 -8.859 410 H THR 56 H THR 56 -7.345 -9.314 -4.827 411 HA THR 56 HA THR 56 -7.139 -12.170 -5.481 412 HB THR 56 HB THR 56 -5.372 -11.215 -7.235 413 HG1 THR 56 HG1 THR 56 -7.391 -9.119 -7.135 414 HG21 THR 56 HG21 THR 56 -7.189 -10.905 -8.951 415 HG22 THR 56 HG22 THR 56 -7.434 -12.381 -7.987 416 HG23 THR 56 HG23 THR 56 -8.396 -10.924 -7.642 417 H ASP 57 H ASP 57 -5.244 -13.200 -4.837 418 HA ASP 57 HA ASP 57 -4.096 -12.172 -2.559 419 HB2 ASP 57 HB2 ASP 57 -2.982 -14.263 -4.488 420 HB3 ASP 57 HB3 ASP 57 -2.431 -14.030 -2.841 421 H ARG 58 H ARG 58 -2.067 -11.091 -2.192 422 HA ARG 58 HA ARG 58 -0.586 -9.565 -2.685 423 HB2 ARG 58 HB2 ARG 58 0.419 -11.423 -4.878 424 HB3 ARG 58 HB3 ARG 58 1.366 -10.427 -3.790 425 HG2 ARG 58 HG2 ARG 58 0.279 -11.901 -1.884 426 HG3 ARG 58 HG3 ARG 58 -0.096 -13.016 -3.183 427 HD2 ARG 58 HD2 ARG 58 2.209 -13.382 -3.704 428 HD3 ARG 58 HD3 ARG 58 2.726 -11.930 -2.870 429 HE ARG 58 HE ARG 58 1.542 -13.455 -0.866 430 HH11 ARG 58 HH22 ARG 58 4.118 -14.009 -3.198 431 HH12 ARG 58 HH21 ARG 58 4.971 -15.123 -2.183 432 HH21 ARG 58 HH12 ARG 58 2.668 -14.925 0.474 433 HH22 ARG 58 HH11 ARG 58 4.141 -15.648 -0.080 434 H CYS 59 H CYS 59 -3.038 -9.082 -4.104 435 HA CYS 59 HA CYS 59 -2.302 -8.445 -6.815 436 HB2 CYS 59 HB2 CYS 59 -4.578 -7.872 -7.151 437 HB3 CYS 59 HB3 CYS 59 -4.529 -9.368 -6.240 438 H ASN 60 H ASN 60 -2.408 -7.015 -3.611 439 HA ASN 60 HA ASN 60 -2.398 -4.346 -4.704 440 HB2 ASN 60 HB2 ASN 60 -2.521 -3.617 -2.347 441 HB3 ASN 60 HB3 ASN 60 -3.722 -4.862 -2.627 442 HD21 ASN 60 HD21 ASN 60 -2.153 -3.908 -0.237 443 HD22 ASN 60 HD22 ASN 60 -1.481 -5.334 0.482 444 H ASN 61 H ASN 61 -0.173 -5.749 -5.597 445 HA ASN 61 HA ASN 61 1.975 -5.793 -3.851 446 HB2 ASN 61 HB2 ASN 61 2.255 -5.283 -6.841 447 HB3 ASN 61 HB3 ASN 61 3.311 -6.223 -5.806 448 HD21 ASN 61 HD21 ASN 61 3.008 -8.331 -5.590 449 HD22 ASN 61 HD22 ASN 61 1.673 -9.245 -6.208 Start of MODEL 12 1 H1 LEU 1 H1 LEU 1 -5.364 -15.803 2.417 2 H2 LEU 1 H2 LEU 1 -6.925 -15.783 1.864 3 H3 LEU 1 H3 LEU 1 -6.456 -14.738 3.060 4 HA LEU 1 HA LEU 1 -5.470 -14.773 0.322 5 HB2 LEU 1 HB2 LEU 1 -7.719 -14.041 0.292 6 HB3 LEU 1 HB3 LEU 1 -7.501 -13.041 1.715 7 HG LEU 1 HG LEU 1 -5.783 -11.739 0.229 8 HD11 LEU 1 HD11 LEU 1 -7.421 -13.202 -1.853 9 HD12 LEU 1 HD12 LEU 1 -6.487 -11.722 -2.177 10 HD13 LEU 1 HD13 LEU 1 -5.652 -13.203 -1.651 11 HD21 LEU 1 HD21 LEU 1 -7.606 -10.529 0.977 12 HD22 LEU 1 HD22 LEU 1 -7.804 -10.456 -0.790 13 HD23 LEU 1 HD23 LEU 1 -8.782 -11.592 0.168 14 H GLU 2 H GLU 2 -3.644 -13.573 -0.080 15 HA GLU 2 HA GLU 2 -2.526 -12.283 2.280 16 HB2 GLU 2 HB2 GLU 2 -1.009 -13.219 -0.189 17 HB3 GLU 2 HB3 GLU 2 -0.326 -12.720 1.346 18 HG2 GLU 2 HG2 GLU 2 -1.202 -14.666 2.484 19 HG3 GLU 2 HG3 GLU 2 -2.249 -15.074 1.140 20 H CYS 3 H CYS 3 -1.570 -10.170 2.088 21 HA CYS 3 HA CYS 3 -2.029 -8.849 -0.470 22 HB2 CYS 3 HB2 CYS 3 -2.810 -7.558 2.143 23 HB3 CYS 3 HB3 CYS 3 -3.085 -6.961 0.518 24 H HIS 4 H HIS 4 -0.366 -7.373 -0.974 25 HA HIS 4 HA HIS 4 2.026 -7.641 0.440 26 HB2 HIS 4 HB2 HIS 4 1.041 -5.947 -1.825 27 HB3 HIS 4 HB3 HIS 4 2.560 -5.519 -1.062 28 HD1 HIS 4 HD1 HIS 4 4.585 -7.128 -1.391 29 HD2 HIS 4 HD2 HIS 4 1.066 -8.370 -3.307 30 HE1 HIS 4 HE1 HIS 4 5.263 -8.998 -2.990 31 HE2 HIS 4 HE2 HIS 4 3.051 -9.757 -4.098 32 H ASN 5 H ASN 5 3.008 -6.419 2.033 33 HA ASN 5 HA ASN 5 1.379 -4.208 3.012 34 HB2 ASN 5 HB2 ASN 5 2.050 -4.762 5.250 35 HB3 ASN 5 HB3 ASN 5 1.696 -6.308 4.506 36 HD21 ASN 5 HD21 ASN 5 3.098 -7.824 4.903 37 HD22 ASN 5 HD22 ASN 5 4.801 -7.646 5.167 38 H GLN 6 H GLN 6 3.877 -4.671 1.053 39 HA GLN 6 HA GLN 6 6.059 -3.491 2.309 40 HB2 GLN 6 HB2 GLN 6 6.680 -2.995 -0.212 41 HB3 GLN 6 HB3 GLN 6 6.637 -4.647 0.372 42 HG2 GLN 6 HG2 GLN 6 4.695 -5.167 -0.795 43 HG3 GLN 6 HG3 GLN 6 4.045 -3.545 -0.660 44 HE21 GLN 6 HE21 GLN 6 7.348 -4.002 -1.609 45 HE22 GLN 6 HE22 GLN 6 7.193 -3.606 -3.288 46 H GLN 7 H GLN 7 6.839 -1.331 2.340 47 HA GLN 7 HA GLN 7 4.771 0.609 1.679 48 HB2 GLN 7 HB2 GLN 7 6.342 2.067 3.258 49 HB3 GLN 7 HB3 GLN 7 5.165 0.958 3.935 50 HG2 GLN 7 HG2 GLN 7 7.956 -0.044 3.316 51 HG3 GLN 7 HG3 GLN 7 7.690 0.903 4.766 52 HE21 GLN 7 HE21 GLN 7 6.472 0.114 6.441 53 HE22 GLN 7 HE22 GLN 7 5.982 -1.542 6.582 54 H SER 8 H SER 8 5.515 2.749 0.808 55 HA SER 8 HA SER 8 6.403 3.697 -0.976 56 HB2 SER 8 HB2 SER 8 8.996 3.151 0.532 57 HB3 SER 8 HB3 SER 8 8.699 4.471 -0.581 58 HG SER 8 HG SER 8 8.165 4.340 2.095 59 H SER 9 H SER 9 9.580 2.846 -1.272 60 HA SER 9 HA SER 9 8.923 0.964 -3.370 61 HB2 SER 9 HB2 SER 9 11.353 1.426 -4.060 62 HB3 SER 9 HB3 SER 9 10.237 2.771 -4.191 63 HG SER 9 HG SER 9 12.147 3.505 -3.176 64 H GLN 10 H GLN 10 9.619 0.809 -0.152 65 HA GLN 10 HA GLN 10 11.789 -0.699 0.241 66 HB2 GLN 10 HB2 GLN 10 9.089 -1.270 1.535 67 HB3 GLN 10 HB3 GLN 10 10.667 -1.601 2.221 68 HG2 GLN 10 HG2 GLN 10 9.376 1.106 1.720 69 HG3 GLN 10 HG3 GLN 10 9.933 0.443 3.243 70 HE21 GLN 10 HE21 GLN 10 10.710 2.234 0.458 71 HE22 GLN 10 HE22 GLN 10 12.390 2.525 0.762 72 HA PRO 11 HA PRO 11 11.617 -4.726 -1.422 73 HB2 PRO 11 HB2 PRO 11 11.444 -5.816 1.363 74 HB3 PRO 11 HB3 PRO 11 12.632 -6.176 0.056 75 HG2 PRO 11 HG2 PRO 11 13.305 -4.635 2.098 76 HG3 PRO 11 HG3 PRO 11 13.784 -4.190 0.417 77 HD2 PRO 11 HD2 PRO 11 11.537 -3.138 2.109 78 HD3 PRO 11 HD3 PRO 11 12.710 -2.244 1.072 79 HA PRO 12 HA PRO 12 7.345 -5.875 -1.706 80 HB2 PRO 12 HB2 PRO 12 8.542 -8.521 -2.445 81 HB3 PRO 12 HB3 PRO 12 7.340 -7.510 -3.332 82 HG2 PRO 12 HG2 PRO 12 9.859 -7.618 -4.133 83 HG3 PRO 12 HG3 PRO 12 8.978 -6.045 -4.087 84 HD2 PRO 12 HD2 PRO 12 10.963 -7.186 -2.144 85 HD3 PRO 12 HD3 PRO 12 10.841 -5.517 -2.814 86 H THR 13 H THR 13 6.034 -6.460 0.050 87 HA THR 13 HA THR 13 6.838 -8.827 1.594 88 HB THR 13 HB THR 13 5.914 -7.370 3.598 89 HG1 THR 13 HG1 THR 13 5.498 -5.311 2.904 90 HG21 THR 13 HG21 THR 13 8.131 -6.216 3.887 91 HG22 THR 13 HG22 THR 13 8.333 -7.927 3.441 92 HG23 THR 13 HG23 THR 13 8.554 -6.656 2.215 93 H THR 14 H THR 14 4.944 -9.568 3.047 94 HA THR 14 HA THR 14 2.356 -8.956 1.873 95 HB THR 14 HB THR 14 2.075 -11.573 1.664 96 HG1 THR 14 HG1 THR 14 4.030 -12.622 1.852 97 HG21 THR 14 HG21 THR 14 3.901 -9.999 -0.228 98 HG22 THR 14 HG22 THR 14 3.205 -11.594 -0.605 99 HG23 THR 14 HG23 THR 14 2.137 -10.188 -0.380 100 H LYS 15 H LYS 15 0.551 -9.836 3.144 101 HA LYS 15 HA LYS 15 1.258 -10.832 5.761 102 HB2 LYS 15 HB2 LYS 15 0.288 -9.050 7.015 103 HB3 LYS 15 HB3 LYS 15 1.486 -8.352 5.944 104 HG2 LYS 15 HG2 LYS 15 -0.182 -7.494 4.445 105 HG3 LYS 15 HG3 LYS 15 -1.436 -8.517 5.117 106 HD2 LYS 15 HD2 LYS 15 -1.396 -5.999 5.812 107 HD3 LYS 15 HD3 LYS 15 -1.670 -7.196 7.062 108 HE2 LYS 15 HE2 LYS 15 0.582 -7.035 7.878 109 HE3 LYS 15 HE3 LYS 15 1.143 -6.230 6.426 110 HZ1 LYS 15 HZ1 LYS 15 -0.929 -4.741 7.547 111 HZ2 LYS 15 HZ2 LYS 15 0.164 -5.062 8.717 112 HZ3 LYS 15 HZ3 LYS 15 0.634 -4.314 7.344 113 H THR 16 H THR 16 -0.533 -11.838 6.829 114 HA THR 16 HA THR 16 -2.533 -12.740 4.969 115 HB THR 16 HB THR 16 -2.395 -13.342 7.949 116 HG1 THR 16 HG1 THR 16 -0.489 -14.432 7.505 117 HG21 THR 16 HG21 THR 16 -2.621 -15.722 6.679 118 HG22 THR 16 HG22 THR 16 -4.053 -14.738 7.066 119 HG23 THR 16 HG23 THR 16 -3.356 -14.691 5.428 120 H CYS 17 H CYS 17 -4.632 -12.158 4.780 121 HA CYS 17 HA CYS 17 -5.393 -9.807 6.268 122 HB2 CYS 17 HB2 CYS 17 -7.096 -11.191 4.214 123 HB3 CYS 17 HB3 CYS 17 -7.101 -9.506 4.695 124 H SER 18 H SER 18 -6.605 -9.941 8.127 125 HA SER 18 HA SER 18 -7.870 -12.505 8.644 126 HB2 SER 18 HB2 SER 18 -7.540 -12.128 10.921 127 HB3 SER 18 HB3 SER 18 -6.147 -11.308 10.244 128 HG SER 18 HG SER 18 -6.984 -9.788 11.606 129 H GLY 19 H GLY 19 -10.055 -12.617 8.300 130 HA2 GLY 19 HA2 GLY 19 -12.243 -12.035 8.447 131 HA3 GLY 19 HA3 GLY 19 -11.798 -10.534 9.235 132 H GLU 20 H GLU 20 -9.769 -10.401 6.695 133 HA GLU 20 HA GLU 20 -11.754 -9.005 5.095 134 HB2 GLU 20 HB2 GLU 20 -8.750 -8.708 4.804 135 HB3 GLU 20 HB3 GLU 20 -10.003 -7.581 4.326 136 HG2 GLU 20 HG2 GLU 20 -10.605 -7.501 6.886 137 HG3 GLU 20 HG3 GLU 20 -9.028 -8.225 7.131 138 H THR 21 H THR 21 -11.423 -9.072 2.657 139 HA THR 21 HA THR 21 -10.074 -11.504 1.756 140 HB THR 21 HB THR 21 -12.254 -11.940 0.389 141 HG1 THR 21 HG1 THR 21 -14.100 -10.900 1.480 142 HG21 THR 21 HG21 THR 21 -13.476 -12.933 2.391 143 HG22 THR 21 HG22 THR 21 -11.769 -13.428 2.286 144 HG23 THR 21 HG23 THR 21 -12.261 -12.168 3.444 145 H ASN 22 H ASN 22 -9.891 -8.382 1.652 146 HA ASN 22 HA ASN 22 -9.496 -8.386 -1.229 147 HB2 ASN 22 HB2 ASN 22 -10.654 -6.095 0.446 148 HB3 ASN 22 HB3 ASN 22 -10.213 -5.955 -1.245 149 HD21 ASN 22 HD21 ASN 22 -12.350 -7.492 1.070 150 HD22 ASN 22 HD22 ASN 22 -13.614 -7.941 -0.026 151 H CYS 23 H CYS 23 -7.754 -6.807 -1.894 152 HA CYS 23 HA CYS 23 -5.997 -6.180 0.366 153 HB2 CYS 23 HB2 CYS 23 -5.165 -6.828 -2.468 154 HB3 CYS 23 HB3 CYS 23 -4.101 -6.484 -1.119 155 H TYR 24 H TYR 24 -5.206 -4.045 0.468 156 HA TYR 24 HA TYR 24 -6.175 -2.262 -1.666 157 HB2 TYR 24 HB2 TYR 24 -6.621 -0.697 0.125 158 HB3 TYR 24 HB3 TYR 24 -7.113 -2.234 0.808 159 HD1 TYR 24 HD1 TYR 24 -4.548 0.410 0.872 160 HD2 TYR 24 HD2 TYR 24 -5.851 -3.276 2.610 161 HE1 TYR 24 HE1 TYR 24 -2.954 0.758 2.822 162 HE2 TYR 24 HE2 TYR 24 -4.252 -2.915 4.554 163 HH TYR 24 HH TYR 24 -3.204 -0.618 5.619 164 H LYS 25 H LYS 25 -4.822 -0.413 -2.196 165 HA LYS 25 HA LYS 25 -2.093 -0.568 -1.182 166 HB2 LYS 25 HB2 LYS 25 -1.840 -1.909 -3.096 167 HB3 LYS 25 HB3 LYS 25 -2.926 -0.925 -4.057 168 HG2 LYS 25 HG2 LYS 25 -1.332 0.792 -4.360 169 HG3 LYS 25 HG3 LYS 25 -0.431 0.355 -2.922 170 HD2 LYS 25 HD2 LYS 25 0.997 -0.547 -4.506 171 HD3 LYS 25 HD3 LYS 25 -0.046 -1.937 -4.278 172 HE2 LYS 25 HE2 LYS 25 0.318 -1.384 -6.703 173 HE3 LYS 25 HE3 LYS 25 -1.375 -1.357 -6.250 174 HZ1 LYS 25 HZ1 LYS 25 -1.463 0.872 -6.455 175 HZ2 LYS 25 HZ2 LYS 25 0.090 1.126 -6.017 176 HZ3 LYS 25 HZ3 LYS 25 -0.259 0.608 -7.526 177 H LYS 26 H LYS 26 -1.591 1.410 -0.426 178 HA LYS 26 HA LYS 26 -2.937 3.684 -1.704 179 HB2 LYS 26 HB2 LYS 26 -1.702 3.879 1.015 180 HB3 LYS 26 HB3 LYS 26 -3.069 4.742 0.340 181 HG2 LYS 26 HG2 LYS 26 -4.475 2.723 0.465 182 HG3 LYS 26 HG3 LYS 26 -3.107 1.755 0.976 183 HD2 LYS 26 HD2 LYS 26 -4.396 4.046 2.529 184 HD3 LYS 26 HD3 LYS 26 -4.454 2.344 2.939 185 HE2 LYS 26 HE2 LYS 26 -1.870 2.425 3.066 186 HE3 LYS 26 HE3 LYS 26 -2.012 4.169 2.974 187 HZ1 LYS 26 HZ1 LYS 26 -2.730 4.258 5.056 188 HZ2 LYS 26 HZ2 LYS 26 -3.748 2.991 4.903 189 HZ3 LYS 26 HZ3 LYS 26 -2.167 2.734 5.222 190 H TRP 27 H TRP 27 -1.720 5.446 -2.426 191 HA TRP 27 HA TRP 27 1.094 5.547 -1.881 192 HB2 TRP 27 HB2 TRP 27 1.912 5.218 -4.079 193 HB3 TRP 27 HB3 TRP 27 0.978 3.803 -3.635 194 HD1 TRP 27 HD1 TRP 27 1.008 6.659 -6.168 195 HE1 TRP 27 HE1 TRP 27 -0.826 6.330 -8.037 196 HE3 TRP 27 HE3 TRP 27 -1.357 2.770 -3.902 197 HZ2 TRP 27 HZ2 TRP 27 -3.011 4.521 -8.350 198 HZ3 TRP 27 HZ3 TRP 27 -3.332 1.779 -5.056 199 HH2 TRP 27 HH2 TRP 27 -4.165 2.593 -7.205 200 H TRP 28 H TRP 28 1.898 7.660 -2.344 201 HA TRP 28 HA TRP 28 0.338 9.477 -3.901 202 HB2 TRP 28 HB2 TRP 28 -0.266 11.018 -2.163 203 HB3 TRP 28 HB3 TRP 28 -1.008 9.459 -1.862 204 HD1 TRP 28 HD1 TRP 28 1.422 11.929 -0.291 205 HE1 TRP 28 HE1 TRP 28 2.157 11.185 2.133 206 HE3 TRP 28 HE3 TRP 28 -0.595 7.268 -0.540 207 HZ2 TRP 28 HZ2 TRP 28 1.819 8.785 3.639 208 HZ3 TRP 28 HZ3 TRP 28 -0.347 5.787 1.451 209 HH2 TRP 28 HH2 TRP 28 0.810 6.479 3.489 210 H SER 29 H SER 29 1.448 11.774 -3.644 211 HA SER 29 HA SER 29 4.294 11.212 -3.486 212 HB2 SER 29 HB2 SER 29 4.637 12.966 -5.050 213 HB3 SER 29 HB3 SER 29 3.199 12.145 -5.623 214 HG SER 29 HG SER 29 1.982 13.879 -5.199 215 H ASP 30 H ASP 30 5.723 12.846 -2.457 216 HA ASP 30 HA ASP 30 4.344 14.735 -0.769 217 HB2 ASP 30 HB2 ASP 30 6.355 12.694 0.293 218 HB3 ASP 30 HB3 ASP 30 5.664 14.005 1.228 219 H HIS 31 H HIS 31 6.122 16.179 0.380 220 HA HIS 31 HA HIS 31 7.911 17.048 -1.607 221 HB2 HIS 31 HB2 HIS 31 7.579 17.765 1.315 222 HB3 HIS 31 HB3 HIS 31 8.730 18.559 0.258 223 HD1 HIS 31 HD1 HIS 31 6.147 19.890 1.654 224 HD2 HIS 31 HD2 HIS 31 6.503 18.708 -2.355 225 HE1 HIS 31 HE1 HIS 31 4.436 21.261 0.349 226 HE2 HIS 31 HE2 HIS 31 4.740 20.531 -2.115 227 H ARG 32 H ARG 32 8.032 14.429 0.571 228 HA ARG 32 HA ARG 32 10.925 14.561 0.689 229 HB2 ARG 32 HB2 ARG 32 9.059 12.579 2.082 230 HB3 ARG 32 HB3 ARG 32 10.761 12.818 2.421 231 HG2 ARG 32 HG2 ARG 32 8.704 15.050 2.713 232 HG3 ARG 32 HG3 ARG 32 9.109 13.966 4.029 233 HD2 ARG 32 HD2 ARG 32 11.625 14.677 3.380 234 HD3 ARG 32 HD3 ARG 32 10.816 16.084 2.720 235 HE ARG 32 HE ARG 32 11.168 15.464 5.532 236 HH11 ARG 32 HH22 ARG 32 8.984 17.030 3.260 237 HH12 ARG 32 HH21 ARG 32 8.314 18.101 4.446 238 HH21 ARG 32 HH12 ARG 32 10.284 16.876 7.096 239 HH22 ARG 32 HH11 ARG 32 9.058 18.013 6.642 240 H GLY 33 H GLY 33 8.164 12.854 -0.722 241 HA2 GLY 33 HA2 GLY 33 9.325 11.745 -2.858 242 HA3 GLY 33 HA3 GLY 33 9.748 10.587 -1.612 243 H THR 34 H THR 34 8.313 9.300 -3.294 244 HA THR 34 HA THR 34 5.472 9.722 -2.900 245 HB THR 34 HB THR 34 7.206 7.835 -4.565 246 HG1 THR 34 HG1 THR 34 6.710 9.440 -6.024 247 HG21 THR 34 HG21 THR 34 4.616 7.754 -5.596 248 HG22 THR 34 HG22 THR 34 5.370 6.448 -4.650 249 HG23 THR 34 HG23 THR 34 4.329 7.645 -3.843 250 H ILE 35 H ILE 35 4.474 9.041 -1.118 251 HA ILE 35 HA ILE 35 5.655 6.845 0.359 252 HB ILE 35 HB ILE 35 3.325 8.666 0.974 253 HG12 ILE 35 HG12 ILE 35 6.251 8.755 1.722 254 HG13 ILE 35 HG13 ILE 35 5.292 9.990 0.930 255 HG21 ILE 35 HG21 ILE 35 4.748 6.643 2.726 256 HG22 ILE 35 HG22 ILE 35 3.512 7.805 3.266 257 HG23 ILE 35 HG23 ILE 35 3.084 6.525 2.105 258 HD11 ILE 35 HD11 ILE 35 4.987 9.029 3.811 259 HD12 ILE 35 HD12 ILE 35 5.589 10.615 3.271 260 HD13 ILE 35 HD13 ILE 35 3.881 10.178 3.019 261 H ILE 36 H ILE 36 4.879 4.779 0.414 262 HA ILE 36 HA ILE 36 2.279 4.337 -0.870 263 HB ILE 36 HB ILE 36 4.661 2.532 -1.245 264 HG12 ILE 36 HG12 ILE 36 3.703 4.739 -3.092 265 HG13 ILE 36 HG13 ILE 36 5.201 4.739 -2.183 266 HG21 ILE 36 HG21 ILE 36 2.516 2.594 -3.248 267 HG22 ILE 36 HG22 ILE 36 3.315 1.216 -2.453 268 HG23 ILE 36 HG23 ILE 36 1.985 2.069 -1.633 269 HD11 ILE 36 HD11 ILE 36 5.633 4.013 -4.490 270 HD12 ILE 36 HD12 ILE 36 5.913 2.651 -3.379 271 HD13 ILE 36 HD13 ILE 36 4.415 2.724 -4.338 272 H GLU 37 H GLU 37 0.885 3.348 0.482 273 HA GLU 37 HA GLU 37 2.073 1.621 2.506 274 HB2 GLU 37 HB2 GLU 37 -0.003 3.802 2.841 275 HB3 GLU 37 HB3 GLU 37 0.032 2.446 3.950 276 HG2 GLU 37 HG2 GLU 37 2.437 2.928 4.460 277 HG3 GLU 37 HG3 GLU 37 2.397 4.289 3.357 278 H ARG 38 H ARG 38 1.390 -0.446 2.174 279 HA ARG 38 HA ARG 38 -1.320 -0.731 1.145 280 HB2 ARG 38 HB2 ARG 38 0.889 -2.775 0.676 281 HB3 ARG 38 HB3 ARG 38 -0.624 -2.606 -0.193 282 HG2 ARG 38 HG2 ARG 38 0.117 -0.525 -1.236 283 HG3 ARG 38 HG3 ARG 38 1.540 -0.454 -0.215 284 HD2 ARG 38 HD2 ARG 38 1.967 -2.900 -1.311 285 HD3 ARG 38 HD3 ARG 38 0.996 -2.212 -2.597 286 HE ARG 38 HE ARG 38 3.220 -0.523 -1.612 287 HH11 ARG 38 HH22 ARG 38 2.067 -2.785 -4.049 288 HH12 ARG 38 HH21 ARG 38 3.274 -2.347 -5.211 289 HH21 ARG 38 HH12 ARG 38 4.813 0.056 -3.145 290 HH22 ARG 38 HH11 ARG 38 4.847 -0.720 -4.693 291 H GLY 39 H GLY 39 -2.354 -2.903 1.767 292 HA2 GLY 39 HA2 GLY 39 -1.251 -4.505 3.816 293 HA3 GLY 39 HA3 GLY 39 -2.297 -3.291 4.524 294 H CYS 40 H CYS 40 -3.396 -5.519 5.091 295 HA CYS 40 HA CYS 40 -4.894 -6.635 2.910 296 HB2 CYS 40 HB2 CYS 40 -4.589 -7.259 5.827 297 HB3 CYS 40 HB3 CYS 40 -5.948 -7.916 4.937 298 H GLY 41 H GLY 41 -7.276 -6.608 2.842 299 HA2 GLY 41 HA2 GLY 41 -9.358 -5.839 3.544 300 HA3 GLY 41 HA3 GLY 41 -8.592 -4.640 4.567 301 H CYS 42 H CYS 42 -10.257 -3.197 3.471 302 HA CYS 42 HA CYS 42 -8.970 -1.968 1.185 303 HB2 CYS 42 HB2 CYS 42 -10.507 -3.432 0.084 304 HB3 CYS 42 HB3 CYS 42 -11.817 -2.972 1.154 305 HA PRO 43 HA PRO 43 -10.440 0.817 4.603 306 HB2 PRO 43 HB2 PRO 43 -8.097 2.225 4.688 307 HB3 PRO 43 HB3 PRO 43 -8.311 0.657 5.551 308 HG2 PRO 43 HG2 PRO 43 -7.062 1.208 2.879 309 HG3 PRO 43 HG3 PRO 43 -6.446 0.205 4.246 310 HD2 PRO 43 HD2 PRO 43 -7.687 -0.875 2.120 311 HD3 PRO 43 HD3 PRO 43 -7.899 -1.520 3.791 312 H LYS 44 H LYS 44 -10.123 3.408 4.592 313 HA LYS 44 HA LYS 44 -10.546 4.232 1.803 314 HB2 LYS 44 HB2 LYS 44 -11.913 5.116 4.353 315 HB3 LYS 44 HB3 LYS 44 -11.989 6.049 2.871 316 HG2 LYS 44 HG2 LYS 44 -13.066 4.237 1.673 317 HG3 LYS 44 HG3 LYS 44 -12.728 3.093 2.956 318 HD2 LYS 44 HD2 LYS 44 -14.134 4.854 4.426 319 HD3 LYS 44 HD3 LYS 44 -14.798 5.286 2.863 320 HE2 LYS 44 HE2 LYS 44 -14.643 2.362 3.641 321 HE3 LYS 44 HE3 LYS 44 -15.921 3.356 4.310 322 HZ1 LYS 44 HZ1 LYS 44 -15.359 2.991 1.449 323 HZ2 LYS 44 HZ2 LYS 44 -16.616 2.352 2.273 324 HZ3 LYS 44 HZ3 LYS 44 -16.522 3.967 2.050 325 H VAL 45 H VAL 45 -9.490 6.081 1.058 326 HA VAL 45 HA VAL 45 -7.519 7.167 2.950 327 HB VAL 45 HB VAL 45 -6.074 7.531 1.055 328 HG11 VAL 45 HG11 VAL 45 -5.800 5.400 2.104 329 HG12 VAL 45 HG12 VAL 45 -7.198 4.721 1.237 330 HG13 VAL 45 HG13 VAL 45 -5.714 5.135 0.346 331 HG21 VAL 45 HG21 VAL 45 -7.440 8.036 -0.771 332 HG22 VAL 45 HG22 VAL 45 -6.797 6.428 -1.180 333 HG23 VAL 45 HG23 VAL 45 -8.451 6.589 -0.544 334 H LYS 46 H LYS 46 -6.873 9.489 2.436 335 HA LYS 46 HA LYS 46 -9.318 10.984 2.060 336 HB2 LYS 46 HB2 LYS 46 -6.609 12.160 2.660 337 HB3 LYS 46 HB3 LYS 46 -8.196 12.778 3.073 338 HG2 LYS 46 HG2 LYS 46 -8.376 10.448 4.406 339 HG3 LYS 46 HG3 LYS 46 -6.627 10.551 4.371 340 HD2 LYS 46 HD2 LYS 46 -8.612 12.354 5.746 341 HD3 LYS 46 HD3 LYS 46 -7.104 11.702 6.355 342 HE2 LYS 46 HE2 LYS 46 -6.024 13.226 4.444 343 HE3 LYS 46 HE3 LYS 46 -7.545 14.090 4.549 344 HZ1 LYS 46 HZ1 LYS 46 -6.905 14.984 6.443 345 HZ2 LYS 46 HZ2 LYS 46 -6.514 13.547 7.113 346 HZ3 LYS 46 HZ3 LYS 46 -5.415 14.356 6.215 347 HA PRO 47 HA PRO 47 -8.853 12.618 -1.929 348 HB2 PRO 47 HB2 PRO 47 -8.371 15.319 -0.724 349 HB3 PRO 47 HB3 PRO 47 -9.607 14.797 -1.929 350 HG2 PRO 47 HG2 PRO 47 -10.285 15.236 0.590 351 HG3 PRO 47 HG3 PRO 47 -10.926 13.801 -0.296 352 HD2 PRO 47 HD2 PRO 47 -8.682 13.979 1.693 353 HD3 PRO 47 HD3 PRO 47 -10.011 12.767 1.566 354 H GLY 48 H GLY 48 -7.094 12.691 -3.384 355 HA2 GLY 48 HA2 GLY 48 -5.083 13.664 -4.138 356 HA3 GLY 48 HA3 GLY 48 -4.611 13.987 -2.482 357 H VAL 49 H VAL 49 -5.402 11.340 -1.412 358 HA VAL 49 HA VAL 49 -3.018 9.935 -2.197 359 HB VAL 49 HB VAL 49 -5.119 8.954 -0.286 360 HG11 VAL 49 HG11 VAL 49 -3.154 8.036 0.895 361 HG12 VAL 49 HG12 VAL 49 -3.258 7.453 -0.783 362 HG13 VAL 49 HG13 VAL 49 -2.091 8.726 -0.355 363 HG21 VAL 49 HG21 VAL 49 -3.584 11.440 -0.084 364 HG22 VAL 49 HG22 VAL 49 -4.961 10.861 0.883 365 HG23 VAL 49 HG23 VAL 49 -3.308 10.340 1.288 366 H ASN 50 H ASN 50 -2.929 7.840 -3.140 367 HA ASN 50 HA ASN 50 -5.290 7.292 -4.719 368 HB2 ASN 50 HB2 ASN 50 -2.356 6.494 -4.909 369 HB3 ASN 50 HB3 ASN 50 -3.564 5.609 -5.820 370 HD21 ASN 50 HD21 ASN 50 -1.712 8.471 -5.531 371 HD22 ASN 50 HD22 ASN 50 -2.268 9.308 -6.942 372 H LEU 51 H LEU 51 -6.281 5.159 -4.681 373 HA LEU 51 HA LEU 51 -5.159 3.212 -2.841 374 HB2 LEU 51 HB2 LEU 51 -6.516 4.459 -1.351 375 HB3 LEU 51 HB3 LEU 51 -7.844 4.533 -2.493 376 HG LEU 51 HG LEU 51 -8.291 2.165 -2.223 377 HD11 LEU 51 HD11 LEU 51 -6.573 0.820 -1.771 378 HD12 LEU 51 HD12 LEU 51 -5.609 2.143 -1.073 379 HD13 LEU 51 HD13 LEU 51 -6.797 1.280 -0.066 380 HD21 LEU 51 HD21 LEU 51 -9.593 2.761 -0.532 381 HD22 LEU 51 HD22 LEU 51 -8.234 2.521 0.592 382 HD23 LEU 51 HD23 LEU 51 -8.508 4.118 -0.144 383 H ASN 52 H ASN 52 -5.594 1.095 -3.455 384 HA ASN 52 HA ASN 52 -7.497 0.795 -5.625 385 HB2 ASN 52 HB2 ASN 52 -5.292 0.915 -6.717 386 HB3 ASN 52 HB3 ASN 52 -4.612 -0.228 -5.575 387 HD21 ASN 52 HD21 ASN 52 -7.465 0.026 -7.701 388 HD22 ASN 52 HD22 ASN 52 -7.362 -1.557 -8.395 389 H CYS 53 H CYS 53 -8.900 -0.870 -5.043 390 HA CYS 53 HA CYS 53 -7.878 -2.821 -3.113 391 HB2 CYS 53 HB2 CYS 53 -10.736 -1.957 -3.603 392 HB3 CYS 53 HB3 CYS 53 -10.216 -3.168 -2.448 393 H CYS 54 H CYS 54 -8.311 -5.074 -3.541 394 HA CYS 54 HA CYS 54 -9.718 -5.731 -5.963 395 HB2 CYS 54 HB2 CYS 54 -7.673 -7.189 -6.650 396 HB3 CYS 54 HB3 CYS 54 -7.780 -5.510 -7.138 397 H ARG 55 H ARG 55 -9.881 -8.218 -6.121 398 HA ARG 55 HA ARG 55 -9.797 -9.270 -3.410 399 HB2 ARG 55 HB2 ARG 55 -11.615 -10.000 -5.761 400 HB3 ARG 55 HB3 ARG 55 -11.619 -10.850 -4.228 401 HG2 ARG 55 HG2 ARG 55 -12.612 -9.079 -3.078 402 HG3 ARG 55 HG3 ARG 55 -11.902 -7.858 -4.116 403 HD2 ARG 55 HD2 ARG 55 -14.028 -9.779 -5.154 404 HD3 ARG 55 HD3 ARG 55 -14.462 -8.289 -4.339 405 HE ARG 55 HE ARG 55 -13.253 -8.541 -7.010 406 HH11 ARG 55 HH22 ARG 55 -13.939 -6.390 -4.311 407 HH12 ARG 55 HH21 ARG 55 -13.816 -4.948 -5.262 408 HH21 ARG 55 HH12 ARG 55 -13.090 -6.639 -8.266 409 HH22 ARG 55 HH11 ARG 55 -13.329 -5.090 -7.527 410 H THR 56 H THR 56 -7.403 -9.379 -4.804 411 HA THR 56 HA THR 56 -7.230 -12.237 -5.450 412 HB THR 56 HB THR 56 -5.466 -11.318 -7.225 413 HG1 THR 56 HG1 THR 56 -6.805 -9.200 -7.926 414 HG21 THR 56 HG21 THR 56 -8.490 -11.003 -7.615 415 HG22 THR 56 HG22 THR 56 -7.292 -11.003 -8.932 416 HG23 THR 56 HG23 THR 56 -7.542 -12.470 -7.955 417 H ASP 57 H ASP 57 -5.338 -13.276 -4.809 418 HA ASP 57 HA ASP 57 -4.168 -12.234 -2.547 419 HB2 ASP 57 HB2 ASP 57 -3.116 -14.365 -4.468 420 HB3 ASP 57 HB3 ASP 57 -2.501 -14.105 -2.848 421 H ARG 58 H ARG 58 -2.126 -11.170 -2.203 422 HA ARG 58 HA ARG 58 -0.640 -9.656 -2.723 423 HB2 ARG 58 HB2 ARG 58 0.339 -11.562 -4.887 424 HB3 ARG 58 HB3 ARG 58 1.302 -10.545 -3.833 425 HG2 ARG 58 HG2 ARG 58 0.233 -11.965 -1.881 426 HG3 ARG 58 HG3 ARG 58 -0.170 -13.109 -3.146 427 HD2 ARG 58 HD2 ARG 58 2.265 -13.150 -3.834 428 HD3 ARG 58 HD3 ARG 58 2.636 -12.084 -2.494 429 HE ARG 58 HE ARG 58 2.377 -13.880 -1.001 430 HH11 ARG 58 HH22 ARG 58 1.070 -14.761 -4.147 431 HH12 ARG 58 HH21 ARG 58 0.854 -16.429 -3.733 432 HH21 ARG 58 HH12 ARG 58 2.093 -16.081 -0.454 433 HH22 ARG 58 HH11 ARG 58 1.440 -17.185 -1.618 434 H CYS 59 H CYS 59 -3.086 -9.158 -4.131 435 HA CYS 59 HA CYS 59 -2.371 -8.582 -6.860 436 HB2 CYS 59 HB2 CYS 59 -4.643 -7.939 -7.163 437 HB3 CYS 59 HB3 CYS 59 -4.606 -9.445 -6.267 438 H ASN 60 H ASN 60 -2.434 -7.082 -3.680 439 HA ASN 60 HA ASN 60 -2.371 -4.438 -4.825 440 HB2 ASN 60 HB2 ASN 60 -2.396 -3.676 -2.454 441 HB3 ASN 60 HB3 ASN 60 -3.682 -4.833 -2.738 442 HD21 ASN 60 HD21 ASN 60 -2.108 -4.018 -0.327 443 HD22 ASN 60 HD22 ASN 60 -1.516 -5.485 0.378 444 H ASN 61 H ASN 61 -0.185 -6.051 -5.637 445 HA ASN 61 HA ASN 61 1.970 -5.431 -3.821 446 HB2 ASN 61 HB2 ASN 61 3.206 -7.077 -4.960 447 HB3 ASN 61 HB3 ASN 61 1.578 -7.679 -5.205 448 HD21 ASN 61 HD21 ASN 61 4.222 -7.692 -6.743 449 HD22 ASN 61 HD22 ASN 61 3.798 -7.261 -8.366 Start of MODEL 13 1 H1 LEU 1 H1 LEU 1 -5.707 -16.082 2.030 2 H2 LEU 1 H2 LEU 1 -7.218 -15.413 2.129 3 H3 LEU 1 H3 LEU 1 -6.004 -14.863 3.110 4 HA LEU 1 HA LEU 1 -5.542 -14.789 0.293 5 HB2 LEU 1 HB2 LEU 1 -7.781 -14.037 0.271 6 HB3 LEU 1 HB3 LEU 1 -7.555 -13.051 1.702 7 HG LEU 1 HG LEU 1 -5.833 -11.744 0.226 8 HD11 LEU 1 HD11 LEU 1 -6.536 -11.700 -2.178 9 HD12 LEU 1 HD12 LEU 1 -5.719 -13.197 -1.667 10 HD13 LEU 1 HD13 LEU 1 -7.487 -13.172 -1.869 11 HD21 LEU 1 HD21 LEU 1 -7.668 -10.555 1.008 12 HD22 LEU 1 HD22 LEU 1 -7.826 -10.420 -0.759 13 HD23 LEU 1 HD23 LEU 1 -8.835 -11.579 0.138 14 H GLU 2 H GLU 2 -3.715 -13.593 -0.126 15 HA GLU 2 HA GLU 2 -2.564 -12.322 2.229 16 HB2 GLU 2 HB2 GLU 2 -1.013 -13.150 -0.246 17 HB3 GLU 2 HB3 GLU 2 -0.396 -12.839 1.364 18 HG2 GLU 2 HG2 GLU 2 -1.876 -14.834 2.140 19 HG3 GLU 2 HG3 GLU 2 -2.061 -15.214 0.439 20 H CYS 3 H CYS 3 -1.619 -10.210 2.048 21 HA CYS 3 HA CYS 3 -2.083 -8.872 -0.501 22 HB2 CYS 3 HB2 CYS 3 -2.862 -7.612 2.129 23 HB3 CYS 3 HB3 CYS 3 -3.122 -6.980 0.515 24 H HIS 4 H HIS 4 -0.415 -7.405 -1.005 25 HA HIS 4 HA HIS 4 1.981 -7.684 0.394 26 HB2 HIS 4 HB2 HIS 4 0.984 -5.960 -1.844 27 HB3 HIS 4 HB3 HIS 4 2.510 -5.546 -1.087 28 HD1 HIS 4 HD1 HIS 4 4.533 -7.131 -1.482 29 HD2 HIS 4 HD2 HIS 4 0.983 -8.392 -3.327 30 HE1 HIS 4 HE1 HIS 4 5.190 -8.991 -3.100 31 HE2 HIS 4 HE2 HIS 4 2.961 -9.763 -4.164 32 H ASN 5 H ASN 5 3.116 -6.282 1.804 33 HA ASN 5 HA ASN 5 1.458 -4.134 2.870 34 HB2 ASN 5 HB2 ASN 5 2.087 -4.705 5.106 35 HB3 ASN 5 HB3 ASN 5 1.766 -6.257 4.358 36 HD21 ASN 5 HD21 ASN 5 3.826 -4.638 6.285 37 HD22 ASN 5 HD22 ASN 5 5.299 -5.519 6.049 38 H GLN 6 H GLN 6 3.852 -4.522 0.851 39 HA GLN 6 HA GLN 6 6.123 -3.481 2.072 40 HB2 GLN 6 HB2 GLN 6 7.063 -3.540 -0.052 41 HB3 GLN 6 HB3 GLN 6 5.733 -4.661 -0.270 42 HG2 GLN 6 HG2 GLN 6 4.328 -2.676 -1.093 43 HG3 GLN 6 HG3 GLN 6 5.795 -1.718 -1.074 44 HE21 GLN 6 HE21 GLN 6 7.682 -3.536 -1.890 45 HE22 GLN 6 HE22 GLN 6 7.408 -4.008 -3.534 46 H GLN 7 H GLN 7 6.846 -1.378 2.430 47 HA GLN 7 HA GLN 7 4.880 0.674 1.798 48 HB2 GLN 7 HB2 GLN 7 6.934 0.398 4.013 49 HB3 GLN 7 HB3 GLN 7 6.250 1.963 3.620 50 HG2 GLN 7 HG2 GLN 7 4.351 -0.351 4.006 51 HG3 GLN 7 HG3 GLN 7 5.105 0.338 5.431 52 HE21 GLN 7 HE21 GLN 7 2.556 0.575 5.488 53 HE22 GLN 7 HE22 GLN 7 1.966 2.150 5.073 54 H SER 8 H SER 8 5.527 2.626 0.766 55 HA SER 8 HA SER 8 6.623 3.729 -0.764 56 HB2 SER 8 HB2 SER 8 9.139 3.181 0.857 57 HB3 SER 8 HB3 SER 8 8.780 4.598 -0.109 58 HG SER 8 HG SER 8 6.932 3.997 1.959 59 H SER 9 H SER 9 9.784 3.091 -0.975 60 HA SER 9 HA SER 9 9.347 1.161 -3.080 61 HB2 SER 9 HB2 SER 9 11.971 2.562 -2.488 62 HB3 SER 9 HB3 SER 9 11.406 1.917 -4.016 63 HG SER 9 HG SER 9 11.237 4.420 -3.281 64 H GLN 10 H GLN 10 9.441 0.585 -0.052 65 HA GLN 10 HA GLN 10 11.877 -0.702 0.442 66 HB2 GLN 10 HB2 GLN 10 9.183 -1.245 1.761 67 HB3 GLN 10 HB3 GLN 10 10.764 -1.587 2.435 68 HG2 GLN 10 HG2 GLN 10 11.274 0.720 2.748 69 HG3 GLN 10 HG3 GLN 10 10.051 1.245 1.608 70 HE21 GLN 10 HE21 GLN 10 8.982 2.586 2.967 71 HE22 GLN 10 HE22 GLN 10 8.054 2.071 4.336 72 HA PRO 11 HA PRO 11 11.659 -4.753 -1.161 73 HB2 PRO 11 HB2 PRO 11 11.423 -5.812 1.632 74 HB3 PRO 11 HB3 PRO 11 12.625 -6.206 0.347 75 HG2 PRO 11 HG2 PRO 11 13.294 -4.658 2.384 76 HG3 PRO 11 HG3 PRO 11 13.807 -4.239 0.707 77 HD2 PRO 11 HD2 PRO 11 11.553 -3.130 2.354 78 HD3 PRO 11 HD3 PRO 11 12.758 -2.267 1.327 79 HA PRO 12 HA PRO 12 7.278 -5.555 -1.432 80 HB2 PRO 12 HB2 PRO 12 8.355 -8.041 -2.711 81 HB3 PRO 12 HB3 PRO 12 7.139 -6.861 -3.327 82 HG2 PRO 12 HG2 PRO 12 9.608 -6.868 -4.277 83 HG3 PRO 12 HG3 PRO 12 8.778 -5.313 -3.893 84 HD2 PRO 12 HD2 PRO 12 10.827 -6.832 -2.308 85 HD3 PRO 12 HD3 PRO 12 10.720 -5.066 -2.653 86 H THR 13 H THR 13 6.054 -6.419 0.271 87 HA THR 13 HA THR 13 6.847 -9.058 1.289 88 HB THR 13 HB THR 13 6.133 -7.986 3.593 89 HG1 THR 13 HG1 THR 13 6.017 -5.748 3.470 90 HG21 THR 13 HG21 THR 13 8.499 -8.553 3.224 91 HG22 THR 13 HG22 THR 13 8.699 -7.155 2.141 92 HG23 THR 13 HG23 THR 13 8.417 -6.901 3.880 93 H THR 14 H THR 14 4.978 -9.869 2.840 94 HA THR 14 HA THR 14 2.382 -9.037 1.807 95 HB THR 14 HB THR 14 1.967 -11.623 1.471 96 HG1 THR 14 HG1 THR 14 3.893 -12.580 2.071 97 HG21 THR 14 HG21 THR 14 3.705 -9.905 -0.361 98 HG22 THR 14 HG22 THR 14 3.203 -11.552 -0.814 99 HG23 THR 14 HG23 THR 14 1.977 -10.291 -0.543 100 H LYS 15 H LYS 15 0.571 -9.876 3.086 101 HA LYS 15 HA LYS 15 1.313 -11.026 5.637 102 HB2 LYS 15 HB2 LYS 15 0.284 -9.258 6.953 103 HB3 LYS 15 HB3 LYS 15 1.630 -8.631 6.023 104 HG2 LYS 15 HG2 LYS 15 0.060 -7.754 4.302 105 HG3 LYS 15 HG3 LYS 15 -1.300 -8.428 5.179 106 HD2 LYS 15 HD2 LYS 15 0.532 -6.154 6.029 107 HD3 LYS 15 HD3 LYS 15 -1.206 -6.112 5.808 108 HE2 LYS 15 HE2 LYS 15 -1.297 -7.894 7.727 109 HE3 LYS 15 HE3 LYS 15 0.362 -7.433 8.055 110 HZ1 LYS 15 HZ1 LYS 15 -0.439 -5.716 9.145 111 HZ2 LYS 15 HZ2 LYS 15 -1.073 -5.103 7.771 112 HZ3 LYS 15 HZ3 LYS 15 -1.977 -6.071 8.726 113 H THR 16 H THR 16 -0.493 -12.004 6.727 114 HA THR 16 HA THR 16 -2.533 -12.829 4.880 115 HB THR 16 HB THR 16 -2.381 -13.456 7.856 116 HG1 THR 16 HG1 THR 16 -0.570 -14.717 7.343 117 HG21 THR 16 HG21 THR 16 -3.423 -14.755 5.341 118 HG22 THR 16 HG22 THR 16 -2.701 -15.819 6.572 119 HG23 THR 16 HG23 THR 16 -4.094 -14.793 6.990 120 H CYS 17 H CYS 17 -4.661 -12.273 4.777 121 HA CYS 17 HA CYS 17 -5.342 -9.887 6.265 122 HB2 CYS 17 HB2 CYS 17 -7.084 -11.222 4.208 123 HB3 CYS 17 HB3 CYS 17 -7.068 -9.544 4.714 124 H SER 18 H SER 18 -6.541 -10.012 8.133 125 HA SER 18 HA SER 18 -7.850 -12.555 8.641 126 HB2 SER 18 HB2 SER 18 -6.108 -11.560 10.257 127 HB3 SER 18 HB3 SER 18 -7.298 -10.334 10.647 128 HG SER 18 HG SER 18 -7.250 -12.279 12.078 129 H GLY 19 H GLY 19 -10.039 -12.621 8.306 130 HA2 GLY 19 HA2 GLY 19 -12.215 -11.998 8.487 131 HA3 GLY 19 HA3 GLY 19 -11.732 -10.508 9.272 132 H GLU 20 H GLU 20 -9.725 -10.385 6.725 133 HA GLU 20 HA GLU 20 -11.706 -8.969 5.137 134 HB2 GLU 20 HB2 GLU 20 -8.695 -8.699 4.855 135 HB3 GLU 20 HB3 GLU 20 -9.935 -7.568 4.351 136 HG2 GLU 20 HG2 GLU 20 -10.418 -6.906 6.603 137 HG3 GLU 20 HG3 GLU 20 -9.616 -8.309 7.282 138 H THR 21 H THR 21 -11.409 -9.042 2.703 139 HA THR 21 HA THR 21 -10.070 -11.474 1.783 140 HB THR 21 HB THR 21 -12.264 -11.906 0.439 141 HG1 THR 21 HG1 THR 21 -13.611 -10.672 2.603 142 HG21 THR 21 HG21 THR 21 -12.242 -12.134 3.493 143 HG22 THR 21 HG22 THR 21 -13.469 -12.895 2.452 144 HG23 THR 21 HG23 THR 21 -11.765 -13.395 2.331 145 H ASN 22 H ASN 22 -9.880 -8.353 1.682 146 HA ASN 22 HA ASN 22 -9.516 -8.352 -1.202 147 HB2 ASN 22 HB2 ASN 22 -10.648 -6.060 0.488 148 HB3 ASN 22 HB3 ASN 22 -10.228 -5.921 -1.207 149 HD21 ASN 22 HD21 ASN 22 -12.336 -7.459 1.134 150 HD22 ASN 22 HD22 ASN 22 -13.617 -7.901 0.056 151 H CYS 23 H CYS 23 -7.778 -6.777 -1.884 152 HA CYS 23 HA CYS 23 -5.994 -6.158 0.359 153 HB2 CYS 23 HB2 CYS 23 -5.182 -6.787 -2.485 154 HB3 CYS 23 HB3 CYS 23 -4.114 -6.478 -1.130 155 H TYR 24 H TYR 24 -5.220 -4.022 0.468 156 HA TYR 24 HA TYR 24 -6.212 -2.233 -1.648 157 HB2 TYR 24 HB2 TYR 24 -6.594 -0.666 0.160 158 HB3 TYR 24 HB3 TYR 24 -7.089 -2.201 0.845 159 HD1 TYR 24 HD1 TYR 24 -4.492 0.412 0.866 160 HD2 TYR 24 HD2 TYR 24 -5.798 -3.269 2.612 161 HE1 TYR 24 HE1 TYR 24 -2.851 0.730 2.781 162 HE2 TYR 24 HE2 TYR 24 -4.152 -2.939 4.521 163 HH TYR 24 HH TYR 24 -2.964 -0.328 5.443 164 H LYS 25 H LYS 25 -4.860 -0.417 -2.243 165 HA LYS 25 HA LYS 25 -2.099 -0.607 -1.309 166 HB2 LYS 25 HB2 LYS 25 -1.964 -1.899 -3.276 167 HB3 LYS 25 HB3 LYS 25 -3.045 -0.844 -4.163 168 HG2 LYS 25 HG2 LYS 25 -1.404 0.866 -4.391 169 HG3 LYS 25 HG3 LYS 25 -0.436 0.249 -3.067 170 HD2 LYS 25 HD2 LYS 25 0.621 -0.264 -5.252 171 HD3 LYS 25 HD3 LYS 25 0.198 -1.735 -4.400 172 HE2 LYS 25 HE2 LYS 25 -1.686 -2.161 -5.810 173 HE3 LYS 25 HE3 LYS 25 -1.741 -0.509 -6.392 174 HZ1 LYS 25 HZ1 LYS 25 -0.166 -2.681 -7.317 175 HZ2 LYS 25 HZ2 LYS 25 -0.567 -1.292 -8.077 176 HZ3 LYS 25 HZ3 LYS 25 0.726 -1.333 -7.080 177 H LYS 26 H LYS 26 -1.566 1.339 -0.492 178 HA LYS 26 HA LYS 26 -2.908 3.669 -1.670 179 HB2 LYS 26 HB2 LYS 26 -3.259 2.985 0.814 180 HB3 LYS 26 HB3 LYS 26 -1.643 3.614 1.065 181 HG2 LYS 26 HG2 LYS 26 -2.490 5.745 -0.202 182 HG3 LYS 26 HG3 LYS 26 -4.098 5.107 0.070 183 HD2 LYS 26 HD2 LYS 26 -2.128 6.204 2.047 184 HD3 LYS 26 HD3 LYS 26 -3.871 6.385 1.997 185 HE2 LYS 26 HE2 LYS 26 -2.320 3.914 2.897 186 HE3 LYS 26 HE3 LYS 26 -3.280 4.974 3.909 187 HZ1 LYS 26 HZ1 LYS 26 -4.186 2.762 2.727 188 HZ2 LYS 26 HZ2 LYS 26 -5.137 3.976 3.263 189 HZ3 LYS 26 HZ3 LYS 26 -4.715 3.905 1.688 190 H TRP 27 H TRP 27 -1.682 5.431 -2.369 191 HA TRP 27 HA TRP 27 1.132 5.514 -1.858 192 HB2 TRP 27 HB2 TRP 27 1.948 5.171 -4.050 193 HB3 TRP 27 HB3 TRP 27 0.993 3.767 -3.616 194 HD1 TRP 27 HD1 TRP 27 1.078 6.629 -6.139 195 HE1 TRP 27 HE1 TRP 27 -0.753 6.336 -8.016 196 HE3 TRP 27 HE3 TRP 27 -1.361 2.774 -3.893 197 HZ2 TRP 27 HZ2 TRP 27 -2.967 4.565 -8.343 198 HZ3 TRP 27 HZ3 TRP 27 -3.348 1.821 -5.057 199 HH2 TRP 27 HH2 TRP 27 -4.158 2.654 -7.207 200 H TRP 28 H TRP 28 1.918 7.632 -2.280 201 HA TRP 28 HA TRP 28 0.339 9.449 -3.836 202 HB2 TRP 28 HB2 TRP 28 -0.199 10.998 -2.076 203 HB3 TRP 28 HB3 TRP 28 -0.959 9.448 -1.774 204 HD1 TRP 28 HD1 TRP 28 1.534 11.870 -0.227 205 HE1 TRP 28 HE1 TRP 28 2.307 11.093 2.173 206 HE3 TRP 28 HE3 TRP 28 -0.543 7.235 -0.483 207 HZ2 TRP 28 HZ2 TRP 28 1.972 8.682 3.662 208 HZ3 TRP 28 HZ3 TRP 28 -0.274 5.732 1.488 209 HH2 TRP 28 HH2 TRP 28 0.932 6.389 3.509 210 H SER 29 H SER 29 1.464 11.740 -3.617 211 HA SER 29 HA SER 29 4.314 11.171 -3.496 212 HB2 SER 29 HB2 SER 29 3.353 11.987 -5.672 213 HB3 SER 29 HB3 SER 29 2.852 13.466 -4.877 214 HG SER 29 HG SER 29 4.978 13.498 -6.061 215 H ASP 30 H ASP 30 5.753 12.859 -2.553 216 HA ASP 30 HA ASP 30 4.395 14.797 -0.911 217 HB2 ASP 30 HB2 ASP 30 4.872 12.516 0.340 218 HB3 ASP 30 HB3 ASP 30 6.541 13.049 0.336 219 H HIS 31 H HIS 31 6.181 16.277 0.170 220 HA HIS 31 HA HIS 31 7.971 17.057 -1.853 221 HB2 HIS 31 HB2 HIS 31 8.169 17.953 1.014 222 HB3 HIS 31 HB3 HIS 31 8.521 18.852 -0.449 223 HD1 HIS 31 HD1 HIS 31 6.406 19.682 -1.880 224 HD2 HIS 31 HD2 HIS 31 5.544 18.126 1.919 225 HE1 HIS 31 HE1 HIS 31 4.027 20.421 -1.327 226 HE2 HIS 31 HE2 HIS 31 3.534 19.390 0.994 227 H ARG 32 H ARG 32 8.082 14.521 0.415 228 HA ARG 32 HA ARG 32 10.975 14.650 0.539 229 HB2 ARG 32 HB2 ARG 32 9.670 14.290 2.672 230 HB3 ARG 32 HB3 ARG 32 9.032 12.798 2.011 231 HG2 ARG 32 HG2 ARG 32 10.857 12.006 3.253 232 HG3 ARG 32 HG3 ARG 32 11.563 12.146 1.655 233 HD2 ARG 32 HD2 ARG 32 11.692 14.493 3.579 234 HD3 ARG 32 HD3 ARG 32 12.840 13.178 3.724 235 HE ARG 32 HE ARG 32 12.953 13.789 1.031 236 HH11 ARG 32 HH22 ARG 32 13.268 15.706 3.964 237 HH12 ARG 32 HH21 ARG 32 14.337 16.864 3.246 238 HH21 ARG 32 HH12 ARG 32 14.363 15.316 0.082 239 HH22 ARG 32 HH11 ARG 32 14.964 16.641 1.022 240 H GLY 33 H GLY 33 8.216 12.904 -0.826 241 HA2 GLY 33 HA2 GLY 33 9.389 11.720 -2.917 242 HA3 GLY 33 HA3 GLY 33 9.795 10.603 -1.630 243 H THR 34 H THR 34 8.366 9.267 -3.280 244 HA THR 34 HA THR 34 5.521 9.710 -2.867 245 HB THR 34 HB THR 34 7.246 7.896 -4.612 246 HG1 THR 34 HG1 THR 34 6.354 10.352 -4.793 247 HG21 THR 34 HG21 THR 34 4.328 7.687 -3.895 248 HG22 THR 34 HG22 THR 34 4.743 7.576 -5.623 249 HG23 THR 34 HG23 THR 34 5.443 6.421 -4.463 250 H ILE 35 H ILE 35 4.528 8.977 -1.105 251 HA ILE 35 HA ILE 35 5.749 6.768 0.327 252 HB ILE 35 HB ILE 35 3.438 8.593 1.001 253 HG12 ILE 35 HG12 ILE 35 6.361 8.604 1.777 254 HG13 ILE 35 HG13 ILE 35 5.453 9.865 0.968 255 HG21 ILE 35 HG21 ILE 35 3.139 6.451 2.091 256 HG22 ILE 35 HG22 ILE 35 4.820 6.478 2.675 257 HG23 ILE 35 HG23 ILE 35 3.648 7.672 3.282 258 HD11 ILE 35 HD11 ILE 35 5.688 10.508 3.295 259 HD12 ILE 35 HD12 ILE 35 3.988 10.048 3.040 260 HD13 ILE 35 HD13 ILE 35 5.103 8.920 3.846 261 H ILE 36 H ILE 36 4.930 4.708 0.438 262 HA ILE 36 HA ILE 36 2.351 4.280 -0.892 263 HB ILE 36 HB ILE 36 4.714 2.435 -1.177 264 HG12 ILE 36 HG12 ILE 36 3.840 4.647 -3.058 265 HG13 ILE 36 HG13 ILE 36 5.336 4.590 -2.148 266 HG21 ILE 36 HG21 ILE 36 2.631 2.483 -3.239 267 HG22 ILE 36 HG22 ILE 36 3.373 1.112 -2.379 268 HG23 ILE 36 HG23 ILE 36 2.035 2.015 -1.629 269 HD11 ILE 36 HD11 ILE 36 5.683 3.844 -4.489 270 HD12 ILE 36 HD12 ILE 36 6.013 2.520 -3.345 271 HD13 ILE 36 HD13 ILE 36 4.483 2.550 -4.256 272 H GLU 37 H GLU 37 0.911 3.338 0.445 273 HA GLU 37 HA GLU 37 2.021 1.615 2.515 274 HB2 GLU 37 HB2 GLU 37 1.464 3.545 3.760 275 HB3 GLU 37 HB3 GLU 37 0.042 3.886 2.793 276 HG2 GLU 37 HG2 GLU 37 -1.246 2.191 3.839 277 HG3 GLU 37 HG3 GLU 37 0.168 1.312 4.385 278 H ARG 38 H ARG 38 1.297 -0.434 2.153 279 HA ARG 38 HA ARG 38 -1.449 -0.657 1.217 280 HB2 ARG 38 HB2 ARG 38 0.717 -2.666 0.481 281 HB3 ARG 38 HB3 ARG 38 -0.850 -2.448 -0.274 282 HG2 ARG 38 HG2 ARG 38 -0.150 -0.232 -1.151 283 HG3 ARG 38 HG3 ARG 38 1.396 -0.376 -0.338 284 HD2 ARG 38 HD2 ARG 38 1.942 -2.395 -1.701 285 HD3 ARG 38 HD3 ARG 38 0.382 -2.295 -2.493 286 HE ARG 38 HE ARG 38 1.503 0.227 -2.890 287 HH11 ARG 38 HH22 ARG 38 2.489 -3.076 -3.598 288 HH12 ARG 38 HH21 ARG 38 3.418 -2.635 -4.992 289 HH21 ARG 38 HH12 ARG 38 2.729 0.809 -4.729 290 HH22 ARG 38 HH11 ARG 38 3.556 -0.411 -5.639 291 H GLY 39 H GLY 39 -2.451 -2.856 1.782 292 HA2 GLY 39 HA2 GLY 39 -1.209 -4.569 3.663 293 HA3 GLY 39 HA3 GLY 39 -2.224 -3.408 4.496 294 H CYS 40 H CYS 40 -3.367 -5.555 5.056 295 HA CYS 40 HA CYS 40 -4.909 -6.671 2.904 296 HB2 CYS 40 HB2 CYS 40 -4.578 -7.283 5.824 297 HB3 CYS 40 HB3 CYS 40 -5.937 -7.946 4.939 298 H GLY 41 H GLY 41 -7.284 -6.608 2.858 299 HA2 GLY 41 HA2 GLY 41 -9.351 -5.820 3.585 300 HA3 GLY 41 HA3 GLY 41 -8.562 -4.636 4.608 301 H CYS 42 H CYS 42 -10.251 -3.195 3.515 302 HA CYS 42 HA CYS 42 -8.958 -1.942 1.245 303 HB2 CYS 42 HB2 CYS 42 -10.485 -3.402 0.126 304 HB3 CYS 42 HB3 CYS 42 -11.801 -2.959 1.195 305 HA PRO 43 HA PRO 43 -10.436 0.822 4.670 306 HB2 PRO 43 HB2 PRO 43 -8.113 2.263 4.728 307 HB3 PRO 43 HB3 PRO 43 -8.293 0.690 5.591 308 HG2 PRO 43 HG2 PRO 43 -7.085 1.263 2.905 309 HG3 PRO 43 HG3 PRO 43 -6.438 0.267 4.262 310 HD2 PRO 43 HD2 PRO 43 -7.690 -0.826 2.150 311 HD3 PRO 43 HD3 PRO 43 -7.873 -1.478 3.821 312 H LYS 44 H LYS 44 -10.183 3.411 4.662 313 HA LYS 44 HA LYS 44 -10.634 4.238 1.878 314 HB2 LYS 44 HB2 LYS 44 -11.984 5.145 4.433 315 HB3 LYS 44 HB3 LYS 44 -12.133 5.994 2.908 316 HG2 LYS 44 HG2 LYS 44 -12.729 3.017 3.106 317 HG3 LYS 44 HG3 LYS 44 -13.947 4.209 3.515 318 HD2 LYS 44 HD2 LYS 44 -12.457 4.253 0.854 319 HD3 LYS 44 HD3 LYS 44 -13.942 3.349 1.079 320 HE2 LYS 44 HE2 LYS 44 -15.148 5.419 1.715 321 HE3 LYS 44 HE3 LYS 44 -13.664 6.346 1.613 322 HZ1 LYS 44 HZ1 LYS 44 -14.050 4.920 -0.762 323 HZ2 LYS 44 HZ2 LYS 44 -15.403 5.771 -0.426 324 HZ3 LYS 44 HZ3 LYS 44 -13.965 6.536 -0.544 325 H VAL 45 H VAL 45 -9.587 6.079 1.124 326 HA VAL 45 HA VAL 45 -7.667 7.235 3.026 327 HB VAL 45 HB VAL 45 -6.188 7.580 1.152 328 HG11 VAL 45 HG11 VAL 45 -6.012 5.052 0.409 329 HG12 VAL 45 HG12 VAL 45 -5.669 5.537 2.087 330 HG13 VAL 45 HG13 VAL 45 -7.244 4.820 1.672 331 HG21 VAL 45 HG21 VAL 45 -8.495 6.510 -0.479 332 HG22 VAL 45 HG22 VAL 45 -7.565 8.011 -0.700 333 HG23 VAL 45 HG23 VAL 45 -6.818 6.439 -1.073 334 H LYS 46 H LYS 46 -7.042 9.554 2.450 335 HA LYS 46 HA LYS 46 -9.507 10.995 1.983 336 HB2 LYS 46 HB2 LYS 46 -6.838 12.235 2.632 337 HB3 LYS 46 HB3 LYS 46 -8.447 12.833 2.985 338 HG2 LYS 46 HG2 LYS 46 -8.798 10.898 4.558 339 HG3 LYS 46 HG3 LYS 46 -7.164 10.355 4.232 340 HD2 LYS 46 HD2 LYS 46 -8.005 12.967 5.561 341 HD3 LYS 46 HD3 LYS 46 -7.122 11.643 6.295 342 HE2 LYS 46 HE2 LYS 46 -5.310 12.077 4.462 343 HE3 LYS 46 HE3 LYS 46 -6.139 13.593 4.175 344 HZ1 LYS 46 HZ1 LYS 46 -5.654 14.323 6.289 345 HZ2 LYS 46 HZ2 LYS 46 -5.359 12.831 6.884 346 HZ3 LYS 46 HZ3 LYS 46 -4.283 13.535 5.878 347 HA PRO 47 HA PRO 47 -8.951 12.559 -2.023 348 HB2 PRO 47 HB2 PRO 47 -8.519 15.288 -0.865 349 HB3 PRO 47 HB3 PRO 47 -9.720 14.732 -2.089 350 HG2 PRO 47 HG2 PRO 47 -10.465 15.218 0.402 351 HG3 PRO 47 HG3 PRO 47 -11.074 13.761 -0.469 352 HD2 PRO 47 HD2 PRO 47 -8.882 13.997 1.571 353 HD3 PRO 47 HD3 PRO 47 -10.199 12.773 1.437 354 H GLY 48 H GLY 48 -7.163 12.642 -3.446 355 HA2 GLY 48 HA2 GLY 48 -5.139 13.621 -4.159 356 HA3 GLY 48 HA3 GLY 48 -4.706 13.954 -2.494 357 H VAL 49 H VAL 49 -5.509 11.311 -1.426 358 HA VAL 49 HA VAL 49 -3.102 9.914 -2.142 359 HB VAL 49 HB VAL 49 -5.254 8.922 -0.295 360 HG11 VAL 49 HG11 VAL 49 -3.342 7.996 0.939 361 HG12 VAL 49 HG12 VAL 49 -3.345 7.447 -0.755 362 HG13 VAL 49 HG13 VAL 49 -2.223 8.728 -0.236 363 HG21 VAL 49 HG21 VAL 49 -3.736 11.417 -0.047 364 HG22 VAL 49 HG22 VAL 49 -5.149 10.837 0.868 365 HG23 VAL 49 HG23 VAL 49 -3.511 10.321 1.337 366 H ASN 50 H ASN 50 -2.963 7.843 -3.112 367 HA ASN 50 HA ASN 50 -5.284 7.266 -4.737 368 HB2 ASN 50 HB2 ASN 50 -2.335 6.516 -4.874 369 HB3 ASN 50 HB3 ASN 50 -3.511 5.617 -5.813 370 HD21 ASN 50 HD21 ASN 50 -1.710 8.506 -5.474 371 HD22 ASN 50 HD22 ASN 50 -2.252 9.342 -6.890 372 H LEU 51 H LEU 51 -6.339 5.200 -4.622 373 HA LEU 51 HA LEU 51 -5.191 3.231 -2.805 374 HB2 LEU 51 HB2 LEU 51 -6.598 4.479 -1.354 375 HB3 LEU 51 HB3 LEU 51 -7.907 4.506 -2.520 376 HG LEU 51 HG LEU 51 -8.304 2.133 -2.226 377 HD11 LEU 51 HD11 LEU 51 -6.819 1.312 -0.036 378 HD12 LEU 51 HD12 LEU 51 -6.567 0.830 -1.731 379 HD13 LEU 51 HD13 LEU 51 -5.639 2.184 -1.043 380 HD21 LEU 51 HD21 LEU 51 -8.311 2.503 0.580 381 HD22 LEU 51 HD22 LEU 51 -8.579 4.101 -0.158 382 HD23 LEU 51 HD23 LEU 51 -9.648 2.739 -0.571 383 H ASN 52 H ASN 52 -5.617 1.102 -3.407 384 HA ASN 52 HA ASN 52 -7.455 0.786 -5.630 385 HB2 ASN 52 HB2 ASN 52 -4.937 0.944 -6.340 386 HB3 ASN 52 HB3 ASN 52 -4.743 -0.615 -5.564 387 HD21 ASN 52 HD21 ASN 52 -5.675 -2.442 -6.415 388 HD22 ASN 52 HD22 ASN 52 -6.339 -2.528 -8.013 389 H CYS 53 H CYS 53 -8.900 -0.819 -4.991 390 HA CYS 53 HA CYS 53 -7.899 -2.796 -3.077 391 HB2 CYS 53 HB2 CYS 53 -10.741 -1.877 -3.565 392 HB3 CYS 53 HB3 CYS 53 -10.251 -3.114 -2.423 393 H CYS 54 H CYS 54 -8.349 -5.041 -3.512 394 HA CYS 54 HA CYS 54 -9.778 -5.681 -5.926 395 HB2 CYS 54 HB2 CYS 54 -7.748 -7.153 -6.631 396 HB3 CYS 54 HB3 CYS 54 -7.847 -5.472 -7.117 397 H ARG 55 H ARG 55 -9.955 -8.169 -6.090 398 HA ARG 55 HA ARG 55 -9.858 -9.228 -3.381 399 HB2 ARG 55 HB2 ARG 55 -11.701 -9.934 -5.719 400 HB3 ARG 55 HB3 ARG 55 -11.697 -10.794 -4.192 401 HG2 ARG 55 HG2 ARG 55 -12.666 -9.025 -3.020 402 HG3 ARG 55 HG3 ARG 55 -11.960 -7.802 -4.058 403 HD2 ARG 55 HD2 ARG 55 -13.601 -8.110 -5.760 404 HD3 ARG 55 HD3 ARG 55 -14.054 -9.697 -5.172 405 HE ARG 55 HE ARG 55 -14.576 -7.789 -3.103 406 HH11 ARG 55 HH22 ARG 55 -15.775 -8.720 -6.278 407 HH12 ARG 55 HH21 ARG 55 -17.388 -8.168 -5.971 408 HH21 ARG 55 HH12 ARG 55 -16.704 -7.061 -2.698 409 HH22 ARG 55 HH11 ARG 55 -17.920 -7.219 -3.922 410 H THR 56 H THR 56 -7.476 -9.351 -4.793 411 HA THR 56 HA THR 56 -7.328 -12.208 -5.447 412 HB THR 56 HB THR 56 -5.575 -11.299 -7.237 413 HG1 THR 56 HG1 THR 56 -7.214 -9.179 -7.757 414 HG21 THR 56 HG21 THR 56 -7.666 -12.437 -7.948 415 HG22 THR 56 HG22 THR 56 -8.600 -10.963 -7.598 416 HG23 THR 56 HG23 THR 56 -7.415 -10.971 -8.927 417 H ASP 57 H ASP 57 -5.437 -13.261 -4.825 418 HA ASP 57 HA ASP 57 -4.240 -12.232 -2.573 419 HB2 ASP 57 HB2 ASP 57 -3.225 -14.365 -4.510 420 HB3 ASP 57 HB3 ASP 57 -2.582 -14.110 -2.900 421 H ARG 58 H ARG 58 -2.192 -11.176 -2.245 422 HA ARG 58 HA ARG 58 -0.704 -9.668 -2.776 423 HB2 ARG 58 HB2 ARG 58 0.253 -11.577 -4.948 424 HB3 ARG 58 HB3 ARG 58 1.227 -10.567 -3.897 425 HG2 ARG 58 HG2 ARG 58 0.161 -11.985 -1.942 426 HG3 ARG 58 HG3 ARG 58 -0.253 -13.125 -3.207 427 HD2 ARG 58 HD2 ARG 58 2.037 -13.530 -3.766 428 HD3 ARG 58 HD3 ARG 58 2.587 -12.068 -2.970 429 HE ARG 58 HE ARG 58 1.286 -13.888 -1.105 430 HH11 ARG 58 HH22 ARG 58 4.315 -13.223 -2.768 431 HH12 ARG 58 HH21 ARG 58 5.290 -14.026 -1.582 432 HH21 ARG 58 HH12 ARG 58 2.571 -14.948 0.459 433 HH22 ARG 58 HH11 ARG 58 4.291 -15.014 0.265 434 H CYS 59 H CYS 59 -3.154 -9.150 -4.161 435 HA CYS 59 HA CYS 59 -2.461 -8.585 -6.899 436 HB2 CYS 59 HB2 CYS 59 -4.731 -7.917 -7.178 437 HB3 CYS 59 HB3 CYS 59 -4.696 -9.427 -6.289 438 H ASN 60 H ASN 60 -2.502 -7.074 -3.719 439 HA ASN 60 HA ASN 60 -2.409 -4.436 -4.876 440 HB2 ASN 60 HB2 ASN 60 -2.457 -3.655 -2.523 441 HB3 ASN 60 HB3 ASN 60 -3.726 -4.835 -2.780 442 HD21 ASN 60 HD21 ASN 60 -2.121 -3.949 -0.402 443 HD22 ASN 60 HD22 ASN 60 -1.514 -5.398 0.328 444 H ASN 61 H ASN 61 -0.239 -6.068 -5.681 445 HA ASN 61 HA ASN 61 1.919 -5.470 -3.862 446 HB2 ASN 61 HB2 ASN 61 3.137 -7.132 -4.996 447 HB3 ASN 61 HB3 ASN 61 1.504 -7.712 -5.252 448 HD21 ASN 61 HD21 ASN 61 0.598 -7.702 -7.242 449 HD22 ASN 61 HD22 ASN 61 1.427 -7.281 -8.703 Start of MODEL 14 1 H1 LEU 1 H1 LEU 1 -6.200 -16.157 1.706 2 H2 LEU 1 H2 LEU 1 -7.147 -15.030 2.464 3 H3 LEU 1 H3 LEU 1 -5.561 -15.211 2.905 4 HA LEU 1 HA LEU 1 -5.498 -14.780 0.249 5 HB2 LEU 1 HB2 LEU 1 -7.735 -14.021 0.203 6 HB3 LEU 1 HB3 LEU 1 -7.526 -13.048 1.646 7 HG LEU 1 HG LEU 1 -5.775 -11.739 0.202 8 HD11 LEU 1 HD11 LEU 1 -6.459 -11.668 -2.210 9 HD12 LEU 1 HD12 LEU 1 -5.645 -13.169 -1.704 10 HD13 LEU 1 HD13 LEU 1 -7.411 -13.144 -1.921 11 HD21 LEU 1 HD21 LEU 1 -7.629 -10.566 0.990 12 HD22 LEU 1 HD22 LEU 1 -7.727 -10.374 -0.776 13 HD23 LEU 1 HD23 LEU 1 -8.777 -11.549 0.051 14 H GLU 2 H GLU 2 -3.684 -13.542 -0.142 15 HA GLU 2 HA GLU 2 -2.567 -12.303 2.249 16 HB2 GLU 2 HB2 GLU 2 -0.946 -13.124 -0.179 17 HB3 GLU 2 HB3 GLU 2 -0.387 -12.850 1.459 18 HG2 GLU 2 HG2 GLU 2 -2.241 -15.125 0.606 19 HG3 GLU 2 HG3 GLU 2 -0.518 -15.288 0.879 20 H CYS 3 H CYS 3 -1.598 -10.198 2.082 21 HA CYS 3 HA CYS 3 -1.995 -8.865 -0.481 22 HB2 CYS 3 HB2 CYS 3 -2.826 -7.581 2.120 23 HB3 CYS 3 HB3 CYS 3 -3.056 -6.970 0.494 24 H HIS 4 H HIS 4 -0.313 -7.396 -0.942 25 HA HIS 4 HA HIS 4 2.052 -7.691 0.498 26 HB2 HIS 4 HB2 HIS 4 1.101 -5.925 -1.729 27 HB3 HIS 4 HB3 HIS 4 2.620 -5.541 -0.944 28 HD1 HIS 4 HD1 HIS 4 4.621 -7.186 -1.289 29 HD2 HIS 4 HD2 HIS 4 1.107 -8.286 -3.299 30 HE1 HIS 4 HE1 HIS 4 5.285 -9.012 -2.942 31 HE2 HIS 4 HE2 HIS 4 3.076 -9.686 -4.109 32 H ASN 5 H ASN 5 3.052 -6.475 2.098 33 HA ASN 5 HA ASN 5 1.405 -4.301 3.130 34 HB2 ASN 5 HB2 ASN 5 2.067 -4.905 5.359 35 HB3 ASN 5 HB3 ASN 5 1.718 -6.434 4.578 36 HD21 ASN 5 HD21 ASN 5 3.120 -7.955 4.953 37 HD22 ASN 5 HD22 ASN 5 4.821 -7.783 5.226 38 H GLN 6 H GLN 6 3.909 -4.711 1.171 39 HA GLN 6 HA GLN 6 6.027 -3.444 2.529 40 HB2 GLN 6 HB2 GLN 6 6.886 -3.180 0.077 41 HB3 GLN 6 HB3 GLN 6 6.718 -4.796 0.735 42 HG2 GLN 6 HG2 GLN 6 4.881 -5.310 -0.596 43 HG3 GLN 6 HG3 GLN 6 4.292 -3.660 -0.618 44 HE21 GLN 6 HE21 GLN 6 5.260 -5.925 -2.581 45 HE22 GLN 6 HE22 GLN 6 6.130 -5.055 -3.801 46 H GLN 7 H GLN 7 6.765 -1.267 2.392 47 HA GLN 7 HA GLN 7 4.695 0.542 1.432 48 HB2 GLN 7 HB2 GLN 7 6.107 2.189 2.960 49 HB3 GLN 7 HB3 GLN 7 4.945 1.089 3.675 50 HG2 GLN 7 HG2 GLN 7 6.615 -0.387 4.465 51 HG3 GLN 7 HG3 GLN 7 7.796 0.153 3.288 52 HE21 GLN 7 HE21 GLN 7 7.996 -0.083 6.179 53 HE22 GLN 7 HE22 GLN 7 8.424 1.476 6.803 54 H SER 8 H SER 8 5.497 2.672 0.497 55 HA SER 8 HA SER 8 6.456 3.478 -1.328 56 HB2 SER 8 HB2 SER 8 9.032 3.097 0.243 57 HB3 SER 8 HB3 SER 8 8.626 4.410 -0.844 58 HG SER 8 HG SER 8 8.411 4.654 1.657 59 H SER 9 H SER 9 9.609 2.790 -1.564 60 HA SER 9 HA SER 9 9.105 0.705 -3.483 61 HB2 SER 9 HB2 SER 9 11.326 2.666 -2.950 62 HB3 SER 9 HB3 SER 9 11.731 1.193 -3.808 63 HG SER 9 HG SER 9 11.138 2.871 -5.292 64 H GLN 10 H GLN 10 9.667 0.793 -0.223 65 HA GLN 10 HA GLN 10 11.820 -0.673 0.362 66 HB2 GLN 10 HB2 GLN 10 9.085 -1.191 1.599 67 HB3 GLN 10 HB3 GLN 10 10.646 -1.405 2.366 68 HG2 GLN 10 HG2 GLN 10 9.277 1.197 1.597 69 HG3 GLN 10 HG3 GLN 10 9.827 0.692 3.182 70 HE21 GLN 10 HE21 GLN 10 10.416 3.089 1.607 71 HE22 GLN 10 HE22 GLN 10 12.138 3.187 1.447 72 HA PRO 11 HA PRO 11 11.713 -4.820 -0.985 73 HB2 PRO 11 HB2 PRO 11 11.387 -5.696 1.862 74 HB3 PRO 11 HB3 PRO 11 12.641 -6.156 0.649 75 HG2 PRO 11 HG2 PRO 11 13.214 -4.466 2.602 76 HG3 PRO 11 HG3 PRO 11 13.784 -4.151 0.921 77 HD2 PRO 11 HD2 PRO 11 11.457 -2.970 2.408 78 HD3 PRO 11 HD3 PRO 11 12.688 -2.159 1.370 79 HA PRO 12 HA PRO 12 7.350 -5.686 -1.355 80 HB2 PRO 12 HB2 PRO 12 8.499 -8.220 -2.464 81 HB3 PRO 12 HB3 PRO 12 7.289 -7.092 -3.181 82 HG2 PRO 12 HG2 PRO 12 9.787 -7.114 -4.051 83 HG3 PRO 12 HG3 PRO 12 8.925 -5.554 -3.777 84 HD2 PRO 12 HD2 PRO 12 10.941 -6.957 -2.049 85 HD3 PRO 12 HD3 PRO 12 10.823 -5.212 -2.491 86 H THR 13 H THR 13 6.060 -6.500 0.325 87 HA THR 13 HA THR 13 6.864 -9.059 1.518 88 HB THR 13 HB THR 13 6.046 -7.876 3.735 89 HG1 THR 13 HG1 THR 13 5.803 -5.683 3.442 90 HG21 THR 13 HG21 THR 13 8.304 -6.762 4.060 91 HG22 THR 13 HG22 THR 13 8.434 -8.437 3.471 92 HG23 THR 13 HG23 THR 13 8.657 -7.078 2.344 93 H THR 14 H THR 14 4.956 -9.831 3.034 94 HA THR 14 HA THR 14 2.379 -9.077 1.913 95 HB THR 14 HB THR 14 2.014 -11.671 1.591 96 HG1 THR 14 HG1 THR 14 4.713 -11.791 0.844 97 HG21 THR 14 HG21 THR 14 3.848 -10.034 -0.233 98 HG22 THR 14 HG22 THR 14 3.182 -11.623 -0.679 99 HG23 THR 14 HG23 THR 14 2.089 -10.246 -0.403 100 H LYS 15 H LYS 15 0.553 -9.957 3.155 101 HA LYS 15 HA LYS 15 1.249 -11.078 5.727 102 HB2 LYS 15 HB2 LYS 15 1.383 -8.447 5.738 103 HB3 LYS 15 HB3 LYS 15 -0.366 -8.547 5.783 104 HG2 LYS 15 HG2 LYS 15 1.197 -10.291 7.686 105 HG3 LYS 15 HG3 LYS 15 1.104 -8.576 8.033 106 HD2 LYS 15 HD2 LYS 15 -1.222 -8.618 8.359 107 HD3 LYS 15 HD3 LYS 15 -1.453 -10.013 7.325 108 HE2 LYS 15 HE2 LYS 15 -0.594 -11.529 9.003 109 HE3 LYS 15 HE3 LYS 15 0.053 -10.216 9.966 110 HZ1 LYS 15 HZ1 LYS 15 -2.784 -10.158 9.424 111 HZ2 LYS 15 HZ2 LYS 15 -2.258 -11.300 10.466 112 HZ3 LYS 15 HZ3 LYS 15 -1.973 -9.721 10.773 113 H THR 16 H THR 16 -0.564 -12.080 6.769 114 HA THR 16 HA THR 16 -2.583 -12.878 4.882 115 HB THR 16 HB THR 16 -2.453 -13.577 7.843 116 HG1 THR 16 HG1 THR 16 -0.419 -14.290 7.344 117 HG21 THR 16 HG21 THR 16 -2.740 -15.910 6.496 118 HG22 THR 16 HG22 THR 16 -4.146 -14.906 6.925 119 HG23 THR 16 HG23 THR 16 -3.458 -14.821 5.286 120 H CYS 17 H CYS 17 -4.606 -12.135 4.635 121 HA CYS 17 HA CYS 17 -5.330 -9.835 6.174 122 HB2 CYS 17 HB2 CYS 17 -7.102 -11.218 4.176 123 HB3 CYS 17 HB3 CYS 17 -7.085 -9.530 4.648 124 H SER 18 H SER 18 -6.500 -9.921 8.064 125 HA SER 18 HA SER 18 -7.785 -12.458 8.654 126 HB2 SER 18 HB2 SER 18 -7.457 -10.279 10.710 127 HB3 SER 18 HB3 SER 18 -7.436 -12.018 10.928 128 HG SER 18 HG SER 18 -5.356 -11.805 9.495 129 H GLY 19 H GLY 19 -9.977 -12.549 8.345 130 HA2 GLY 19 HA2 GLY 19 -12.155 -11.943 8.521 131 HA3 GLY 19 HA3 GLY 19 -11.682 -10.441 9.289 132 H GLU 20 H GLU 20 -9.694 -10.336 6.720 133 HA GLU 20 HA GLU 20 -11.697 -8.944 5.137 134 HB2 GLU 20 HB2 GLU 20 -8.694 -8.657 4.814 135 HB3 GLU 20 HB3 GLU 20 -9.949 -7.533 4.332 136 HG2 GLU 20 HG2 GLU 20 -10.505 -7.107 6.725 137 HG3 GLU 20 HG3 GLU 20 -9.282 -8.258 7.225 138 H THR 21 H THR 21 -11.335 -9.001 2.684 139 HA THR 21 HA THR 21 -10.028 -11.455 1.789 140 HB THR 21 HB THR 21 -12.210 -11.905 0.448 141 HG1 THR 21 HG1 THR 21 -13.253 -10.312 2.660 142 HG21 THR 21 HG21 THR 21 -12.232 -12.055 3.507 143 HG22 THR 21 HG22 THR 21 -13.450 -12.835 2.469 144 HG23 THR 21 HG23 THR 21 -11.748 -13.348 2.384 145 H ASN 22 H ASN 22 -9.836 -8.330 1.669 146 HA ASN 22 HA ASN 22 -9.448 -8.354 -1.212 147 HB2 ASN 22 HB2 ASN 22 -10.610 -6.053 0.446 148 HB3 ASN 22 HB3 ASN 22 -10.169 -5.923 -1.245 149 HD21 ASN 22 HD21 ASN 22 -12.299 -7.458 1.079 150 HD22 ASN 22 HD22 ASN 22 -13.564 -7.913 -0.013 151 H CYS 23 H CYS 23 -7.730 -6.735 -1.888 152 HA CYS 23 HA CYS 23 -5.955 -6.123 0.363 153 HB2 CYS 23 HB2 CYS 23 -5.129 -6.705 -2.486 154 HB3 CYS 23 HB3 CYS 23 -4.070 -6.411 -1.122 155 H TYR 24 H TYR 24 -5.198 -3.980 0.495 156 HA TYR 24 HA TYR 24 -6.187 -2.181 -1.615 157 HB2 TYR 24 HB2 TYR 24 -6.651 -0.645 0.196 158 HB3 TYR 24 HB3 TYR 24 -7.121 -2.196 0.862 159 HD1 TYR 24 HD1 TYR 24 -4.632 0.507 0.979 160 HD2 TYR 24 HD2 TYR 24 -5.798 -3.268 2.620 161 HE1 TYR 24 HE1 TYR 24 -3.037 0.854 2.929 162 HE2 TYR 24 HE2 TYR 24 -4.199 -2.909 4.564 163 HH TYR 24 HH TYR 24 -3.215 -0.538 5.669 164 H LYS 25 H LYS 25 -4.847 -0.349 -2.171 165 HA LYS 25 HA LYS 25 -2.139 -0.409 -1.108 166 HB2 LYS 25 HB2 LYS 25 -1.850 -1.868 -2.949 167 HB3 LYS 25 HB3 LYS 25 -2.868 -0.901 -3.997 168 HG2 LYS 25 HG2 LYS 25 -1.026 0.993 -3.378 169 HG3 LYS 25 HG3 LYS 25 -0.024 -0.425 -3.143 170 HD2 LYS 25 HD2 LYS 25 -1.471 0.437 -5.678 171 HD3 LYS 25 HD3 LYS 25 0.252 0.214 -5.447 172 HE2 LYS 25 HE2 LYS 25 -0.218 -1.802 -6.490 173 HE3 LYS 25 HE3 LYS 25 -0.505 -2.296 -4.833 174 HZ1 LYS 25 HZ1 LYS 25 -2.287 -2.499 -6.793 175 HZ2 LYS 25 HZ2 LYS 25 -2.678 -2.455 -5.208 176 HZ3 LYS 25 HZ3 LYS 25 -2.767 -1.096 -6.109 177 H LYS 26 H LYS 26 -1.778 1.617 -0.400 178 HA LYS 26 HA LYS 26 -3.068 3.785 -1.903 179 HB2 LYS 26 HB2 LYS 26 -2.816 5.069 0.254 180 HB3 LYS 26 HB3 LYS 26 -3.969 3.750 0.282 181 HG2 LYS 26 HG2 LYS 26 -2.534 2.344 1.557 182 HG3 LYS 26 HG3 LYS 26 -1.099 3.255 1.130 183 HD2 LYS 26 HD2 LYS 26 -1.518 4.937 2.695 184 HD3 LYS 26 HD3 LYS 26 -3.257 4.734 2.616 185 HE2 LYS 26 HE2 LYS 26 -1.622 2.449 3.720 186 HE3 LYS 26 HE3 LYS 26 -1.829 3.868 4.727 187 HZ1 LYS 26 HZ1 LYS 26 -3.988 3.434 4.991 188 HZ2 LYS 26 HZ2 LYS 26 -4.222 2.913 3.461 189 HZ3 LYS 26 HZ3 LYS 26 -3.586 1.906 4.578 190 H TRP 27 H TRP 27 -1.831 5.553 -2.590 191 HA TRP 27 HA TRP 27 0.956 5.660 -1.850 192 HB2 TRP 27 HB2 TRP 27 1.848 5.439 -4.054 193 HB3 TRP 27 HB3 TRP 27 0.959 3.986 -3.644 194 HD1 TRP 27 HD1 TRP 27 0.927 6.874 -6.140 195 HE1 TRP 27 HE1 TRP 27 -0.859 6.502 -8.046 196 HE3 TRP 27 HE3 TRP 27 -1.328 2.868 -3.968 197 HZ2 TRP 27 HZ2 TRP 27 -2.968 4.616 -8.423 198 HZ3 TRP 27 HZ3 TRP 27 -3.243 1.820 -5.171 199 HH2 TRP 27 HH2 TRP 27 -4.068 2.631 -7.324 200 H TRP 28 H TRP 28 1.828 7.772 -2.299 201 HA TRP 28 HA TRP 28 0.256 9.649 -3.787 202 HB2 TRP 28 HB2 TRP 28 -0.218 11.174 -1.984 203 HB3 TRP 28 HB3 TRP 28 -1.012 9.635 -1.710 204 HD1 TRP 28 HD1 TRP 28 1.414 12.013 -0.067 205 HE1 TRP 28 HE1 TRP 28 2.251 11.138 2.278 206 HE3 TRP 28 HE3 TRP 28 -0.436 7.305 -0.576 207 HZ2 TRP 28 HZ2 TRP 28 2.049 8.631 3.626 208 HZ3 TRP 28 HZ3 TRP 28 -0.073 5.705 1.301 209 HH2 TRP 28 HH2 TRP 28 1.122 6.302 3.348 210 H SER 29 H SER 29 1.429 11.901 -3.586 211 HA SER 29 HA SER 29 4.269 11.285 -3.477 212 HB2 SER 29 HB2 SER 29 3.114 12.178 -5.624 213 HB3 SER 29 HB3 SER 29 3.002 13.716 -4.793 214 HG SER 29 HG SER 29 5.029 12.992 -6.214 215 H ASP 30 H ASP 30 5.669 12.512 -2.159 216 HA ASP 30 HA ASP 30 4.353 14.601 -0.611 217 HB2 ASP 30 HB2 ASP 30 4.713 12.475 0.706 218 HB3 ASP 30 HB3 ASP 30 6.433 12.600 0.392 219 H HIS 31 H HIS 31 6.131 16.089 0.457 220 HA HIS 31 HA HIS 31 7.852 16.966 -1.581 221 HB2 HIS 31 HB2 HIS 31 8.397 18.726 -0.140 222 HB3 HIS 31 HB3 HIS 31 6.734 18.333 0.245 223 HD1 HIS 31 HD1 HIS 31 6.334 16.946 2.520 224 HD2 HIS 31 HD2 HIS 31 10.189 18.508 1.970 225 HE1 HIS 31 HE1 HIS 31 7.468 16.874 4.805 226 HE2 HIS 31 HE2 HIS 31 9.851 17.795 4.393 227 H ARG 32 H ARG 32 8.075 14.349 0.579 228 HA ARG 32 HA ARG 32 10.966 14.530 0.635 229 HB2 ARG 32 HB2 ARG 32 9.768 14.058 2.789 230 HB3 ARG 32 HB3 ARG 32 9.072 12.611 2.086 231 HG2 ARG 32 HG2 ARG 32 11.556 11.907 1.601 232 HG3 ARG 32 HG3 ARG 32 11.986 13.159 2.750 233 HD2 ARG 32 HD2 ARG 32 10.032 10.890 3.364 234 HD3 ARG 32 HD3 ARG 32 11.735 10.846 3.775 235 HE ARG 32 HE ARG 32 10.393 13.254 4.757 236 HH11 ARG 32 HH22 ARG 32 11.121 9.884 5.459 237 HH12 ARG 32 HH21 ARG 32 10.940 10.069 7.172 238 HH21 ARG 32 HH12 ARG 32 10.155 13.499 7.016 239 HH22 ARG 32 HH11 ARG 32 10.387 12.139 8.064 240 H GLY 33 H GLY 33 8.207 12.783 -0.730 241 HA2 GLY 33 HA2 GLY 33 9.319 11.720 -2.906 242 HA3 GLY 33 HA3 GLY 33 9.828 10.567 -1.689 243 H THR 34 H THR 34 8.281 9.456 -3.555 244 HA THR 34 HA THR 34 5.484 9.717 -2.990 245 HB THR 34 HB THR 34 7.205 7.840 -4.684 246 HG1 THR 34 HG1 THR 34 6.651 10.291 -5.031 247 HG21 THR 34 HG21 THR 34 4.636 7.209 -3.788 248 HG22 THR 34 HG22 THR 34 4.311 8.102 -5.292 249 HG23 THR 34 HG23 THR 34 5.341 6.651 -5.324 250 H ILE 35 H ILE 35 4.462 8.944 -1.264 251 HA ILE 35 HA ILE 35 5.733 6.753 0.175 252 HB ILE 35 HB ILE 35 3.472 8.609 0.926 253 HG12 ILE 35 HG12 ILE 35 6.422 8.599 1.592 254 HG13 ILE 35 HG13 ILE 35 5.496 9.864 0.809 255 HG21 ILE 35 HG21 ILE 35 4.905 6.498 2.562 256 HG22 ILE 35 HG22 ILE 35 3.750 7.694 3.197 257 HG23 ILE 35 HG23 ILE 35 3.207 6.465 2.030 258 HD11 ILE 35 HD11 ILE 35 5.230 8.933 3.702 259 HD12 ILE 35 HD12 ILE 35 5.831 10.508 3.129 260 HD13 ILE 35 HD13 ILE 35 4.114 10.084 2.928 261 H ILE 36 H ILE 36 4.876 4.709 0.316 262 HA ILE 36 HA ILE 36 2.218 4.329 -0.849 263 HB ILE 36 HB ILE 36 4.515 2.484 -1.453 264 HG12 ILE 36 HG12 ILE 36 3.564 4.825 -3.130 265 HG13 ILE 36 HG13 ILE 36 5.109 4.707 -2.311 266 HG21 ILE 36 HG21 ILE 36 1.725 2.324 -1.817 267 HG22 ILE 36 HG22 ILE 36 2.424 2.622 -3.426 268 HG23 ILE 36 HG23 ILE 36 2.981 1.237 -2.457 269 HD11 ILE 36 HD11 ILE 36 4.113 2.816 -4.494 270 HD12 ILE 36 HD12 ILE 36 5.340 4.091 -4.694 271 HD13 ILE 36 HD13 ILE 36 5.679 2.685 -3.656 272 H GLU 37 H GLU 37 0.907 3.088 0.405 273 HA GLU 37 HA GLU 37 2.245 1.431 2.390 274 HB2 GLU 37 HB2 GLU 37 -0.076 3.350 2.834 275 HB3 GLU 37 HB3 GLU 37 0.319 2.073 3.967 276 HG2 GLU 37 HG2 GLU 37 2.263 4.251 3.063 277 HG3 GLU 37 HG3 GLU 37 1.365 4.283 4.568 278 H ARG 38 H ARG 38 1.685 -0.671 2.052 279 HA ARG 38 HA ARG 38 -0.952 -1.110 0.899 280 HB2 ARG 38 HB2 ARG 38 1.460 -2.987 0.789 281 HB3 ARG 38 HB3 ARG 38 -0.048 -3.183 -0.081 282 HG2 ARG 38 HG2 ARG 38 0.385 -1.120 -1.377 283 HG3 ARG 38 HG3 ARG 38 1.839 -0.809 -0.450 284 HD2 ARG 38 HD2 ARG 38 3.056 -2.496 -1.511 285 HD3 ARG 38 HD3 ARG 38 1.643 -3.496 -1.789 286 HE ARG 38 HE ARG 38 1.095 -2.184 -3.729 287 HH11 ARG 38 HH22 ARG 38 4.032 -1.081 -2.134 288 HH12 ARG 38 HH21 ARG 38 4.570 -0.148 -3.490 289 HH21 ARG 38 HH12 ARG 38 1.805 -0.952 -5.518 290 HH22 ARG 38 HH11 ARG 38 3.295 -0.074 -5.428 291 H GLY 39 H GLY 39 -2.164 -3.028 1.688 292 HA2 GLY 39 HA2 GLY 39 -1.223 -4.582 3.873 293 HA3 GLY 39 HA3 GLY 39 -2.248 -3.279 4.442 294 H CYS 40 H CYS 40 -3.370 -5.559 5.034 295 HA CYS 40 HA CYS 40 -4.888 -6.603 2.824 296 HB2 CYS 40 HB2 CYS 40 -4.589 -7.313 5.724 297 HB3 CYS 40 HB3 CYS 40 -5.951 -7.930 4.811 298 H GLY 41 H GLY 41 -7.288 -6.575 2.824 299 HA2 GLY 41 HA2 GLY 41 -9.342 -5.782 3.586 300 HA3 GLY 41 HA3 GLY 41 -8.533 -4.586 4.579 301 H CYS 42 H CYS 42 -10.215 -3.132 3.520 302 HA CYS 42 HA CYS 42 -8.969 -1.905 1.216 303 HB2 CYS 42 HB2 CYS 42 -10.495 -3.395 0.126 304 HB3 CYS 42 HB3 CYS 42 -11.808 -2.937 1.193 305 HA PRO 43 HA PRO 43 -10.466 0.861 4.638 306 HB2 PRO 43 HB2 PRO 43 -8.141 2.300 4.715 307 HB3 PRO 43 HB3 PRO 43 -8.331 0.728 5.579 308 HG2 PRO 43 HG2 PRO 43 -7.098 1.295 2.903 309 HG3 PRO 43 HG3 PRO 43 -6.464 0.301 4.267 310 HD2 PRO 43 HD2 PRO 43 -7.698 -0.795 2.146 311 HD3 PRO 43 HD3 PRO 43 -7.897 -1.443 3.818 312 H LYS 44 H LYS 44 -10.172 3.458 4.625 313 HA LYS 44 HA LYS 44 -10.632 4.272 1.839 314 HB2 LYS 44 HB2 LYS 44 -12.061 4.928 4.390 315 HB3 LYS 44 HB3 LYS 44 -11.976 6.152 3.140 316 HG2 LYS 44 HG2 LYS 44 -13.939 5.008 2.545 317 HG3 LYS 44 HG3 LYS 44 -12.753 4.229 1.517 318 HD2 LYS 44 HD2 LYS 44 -12.520 2.366 3.129 319 HD3 LYS 44 HD3 LYS 44 -13.606 3.163 4.250 320 HE2 LYS 44 HE2 LYS 44 -15.509 2.717 2.954 321 HE3 LYS 44 HE3 LYS 44 -14.612 2.677 1.449 322 HZ1 LYS 44 HZ1 LYS 44 -15.170 0.486 1.977 323 HZ2 LYS 44 HZ2 LYS 44 -13.578 0.602 2.318 324 HZ3 LYS 44 HZ3 LYS 44 -14.675 0.612 3.528 325 H VAL 45 H VAL 45 -9.599 6.127 1.074 326 HA VAL 45 HA VAL 45 -7.607 7.229 2.934 327 HB VAL 45 HB VAL 45 -6.190 7.594 1.020 328 HG11 VAL 45 HG11 VAL 45 -5.808 5.211 0.320 329 HG12 VAL 45 HG12 VAL 45 -5.921 5.455 2.079 330 HG13 VAL 45 HG13 VAL 45 -7.302 4.776 1.184 331 HG21 VAL 45 HG21 VAL 45 -8.608 6.706 -0.532 332 HG22 VAL 45 HG22 VAL 45 -7.523 8.089 -0.810 333 HG23 VAL 45 HG23 VAL 45 -6.978 6.439 -1.197 334 H LYS 46 H LYS 46 -6.983 9.553 2.405 335 HA LYS 46 HA LYS 46 -9.441 11.033 2.063 336 HB2 LYS 46 HB2 LYS 46 -6.731 12.225 2.621 337 HB3 LYS 46 HB3 LYS 46 -8.314 12.837 3.054 338 HG2 LYS 46 HG2 LYS 46 -8.552 10.647 4.476 339 HG3 LYS 46 HG3 LYS 46 -6.819 10.486 4.272 340 HD2 LYS 46 HD2 LYS 46 -6.873 11.719 6.247 341 HD3 LYS 46 HD3 LYS 46 -6.778 13.025 5.082 342 HE2 LYS 46 HE2 LYS 46 -8.579 13.745 6.391 343 HE3 LYS 46 HE3 LYS 46 -9.429 12.896 5.115 344 HZ1 LYS 46 HZ1 LYS 46 -9.771 11.082 6.482 345 HZ2 LYS 46 HZ2 LYS 46 -8.607 11.500 7.549 346 HZ3 LYS 46 HZ3 LYS 46 -10.005 12.342 7.494 347 HA PRO 47 HA PRO 47 -9.050 12.648 -1.941 348 HB2 PRO 47 HB2 PRO 47 -8.593 15.360 -0.752 349 HB3 PRO 47 HB3 PRO 47 -9.836 14.816 -1.940 350 HG2 PRO 47 HG2 PRO 47 -10.490 15.254 0.586 351 HG3 PRO 47 HG3 PRO 47 -11.120 13.807 -0.287 352 HD2 PRO 47 HD2 PRO 47 -8.855 14.026 1.673 353 HD3 PRO 47 HD3 PRO 47 -10.167 12.793 1.567 354 H GLY 48 H GLY 48 -7.310 12.741 -3.418 355 HA2 GLY 48 HA2 GLY 48 -5.323 13.736 -4.201 356 HA3 GLY 48 HA3 GLY 48 -4.836 14.080 -2.553 357 H VAL 49 H VAL 49 -5.572 11.430 -1.453 358 HA VAL 49 HA VAL 49 -3.175 10.057 -2.253 359 HB VAL 49 HB VAL 49 -5.251 9.075 -0.311 360 HG11 VAL 49 HG11 VAL 49 -2.221 8.860 -0.335 361 HG12 VAL 49 HG12 VAL 49 -3.334 8.085 0.818 362 HG13 VAL 49 HG13 VAL 49 -3.347 7.600 -0.894 363 HG21 VAL 49 HG21 VAL 49 -5.064 10.982 0.851 364 HG22 VAL 49 HG22 VAL 49 -3.403 10.462 1.223 365 HG23 VAL 49 HG23 VAL 49 -3.706 11.556 -0.147 366 H ASN 50 H ASN 50 -3.056 7.966 -3.195 367 HA ASN 50 HA ASN 50 -5.420 7.370 -4.750 368 HB2 ASN 50 HB2 ASN 50 -2.487 6.547 -4.940 369 HB3 ASN 50 HB3 ASN 50 -3.714 5.731 -5.889 370 HD21 ASN 50 HD21 ASN 50 -1.771 8.516 -5.497 371 HD22 ASN 50 HD22 ASN 50 -2.292 9.420 -6.880 372 H LEU 51 H LEU 51 -6.326 5.178 -4.751 373 HA LEU 51 HA LEU 51 -5.188 3.275 -2.887 374 HB2 LEU 51 HB2 LEU 51 -6.548 4.501 -1.387 375 HB3 LEU 51 HB3 LEU 51 -7.885 4.563 -2.518 376 HG LEU 51 HG LEU 51 -8.262 2.160 -2.264 377 HD11 LEU 51 HD11 LEU 51 -6.496 0.900 -1.739 378 HD12 LEU 51 HD12 LEU 51 -5.633 2.260 -0.982 379 HD13 LEU 51 HD13 LEU 51 -6.840 1.343 -0.049 380 HD21 LEU 51 HD21 LEU 51 -8.587 4.142 -0.207 381 HD22 LEU 51 HD22 LEU 51 -9.653 2.788 -0.656 382 HD23 LEU 51 HD23 LEU 51 -8.350 2.540 0.531 383 H ASN 52 H ASN 52 -5.637 1.141 -3.462 384 HA ASN 52 HA ASN 52 -7.529 0.819 -5.639 385 HB2 ASN 52 HB2 ASN 52 -5.019 0.965 -6.399 386 HB3 ASN 52 HB3 ASN 52 -4.826 -0.600 -5.634 387 HD21 ASN 52 HD21 ASN 52 -5.323 -2.367 -6.714 388 HD22 ASN 52 HD22 ASN 52 -6.185 -2.455 -8.214 389 H CYS 53 H CYS 53 -8.923 -0.862 -5.072 390 HA CYS 53 HA CYS 53 -7.905 -2.792 -3.117 391 HB2 CYS 53 HB2 CYS 53 -10.756 -1.902 -3.599 392 HB3 CYS 53 HB3 CYS 53 -10.254 -3.134 -2.459 393 H CYS 54 H CYS 54 -8.267 -5.037 -3.561 394 HA CYS 54 HA CYS 54 -9.714 -5.710 -5.963 395 HB2 CYS 54 HB2 CYS 54 -7.669 -7.161 -6.659 396 HB3 CYS 54 HB3 CYS 54 -7.779 -5.482 -7.147 397 H ARG 55 H ARG 55 -9.866 -8.199 -6.113 398 HA ARG 55 HA ARG 55 -9.764 -9.242 -3.398 399 HB2 ARG 55 HB2 ARG 55 -11.591 -9.990 -5.737 400 HB3 ARG 55 HB3 ARG 55 -11.586 -10.829 -4.199 401 HG2 ARG 55 HG2 ARG 55 -12.579 -9.054 -3.056 402 HG3 ARG 55 HG3 ARG 55 -11.878 -7.838 -4.105 403 HD2 ARG 55 HD2 ARG 55 -14.053 -9.769 -5.038 404 HD3 ARG 55 HD3 ARG 55 -14.410 -8.195 -4.353 405 HE ARG 55 HE ARG 55 -13.265 -8.735 -7.005 406 HH11 ARG 55 HH22 ARG 55 -13.733 -6.326 -4.482 407 HH12 ARG 55 HH21 ARG 55 -13.531 -4.980 -5.552 408 HH21 ARG 55 HH12 ARG 55 -13.000 -6.958 -8.418 409 HH22 ARG 55 HH11 ARG 55 -13.112 -5.342 -7.806 410 H THR 56 H THR 56 -7.379 -9.344 -4.811 411 HA THR 56 HA THR 56 -7.199 -12.203 -5.453 412 HB THR 56 HB THR 56 -5.440 -11.277 -7.230 413 HG1 THR 56 HG1 THR 56 -6.138 -9.128 -7.893 414 HG21 THR 56 HG21 THR 56 -7.271 -10.968 -8.933 415 HG22 THR 56 HG22 THR 56 -7.511 -12.438 -7.958 416 HG23 THR 56 HG23 THR 56 -8.465 -10.976 -7.614 417 H ASP 57 H ASP 57 -5.302 -13.239 -4.818 418 HA ASP 57 HA ASP 57 -4.132 -12.200 -2.556 419 HB2 ASP 57 HB2 ASP 57 -3.058 -14.316 -4.481 420 HB3 ASP 57 HB3 ASP 57 -2.470 -14.066 -2.850 421 H ARG 58 H ARG 58 -2.092 -11.130 -2.213 422 HA ARG 58 HA ARG 58 -0.611 -9.612 -2.731 423 HB2 ARG 58 HB2 ARG 58 0.373 -11.498 -4.909 424 HB3 ARG 58 HB3 ARG 58 1.332 -10.494 -3.839 425 HG2 ARG 58 HG2 ARG 58 0.252 -11.940 -1.909 426 HG3 ARG 58 HG3 ARG 58 -0.138 -13.069 -3.191 427 HD2 ARG 58 HD2 ARG 58 2.219 -13.307 -3.803 428 HD3 ARG 58 HD3 ARG 58 2.685 -11.995 -2.739 429 HE ARG 58 HE ARG 58 2.471 -13.430 -0.870 430 HH11 ARG 58 HH22 ARG 58 1.220 -14.988 -3.766 431 HH12 ARG 58 HH21 ARG 58 1.111 -16.553 -3.032 432 HH21 ARG 58 HH12 ARG 58 2.327 -15.494 0.100 433 HH22 ARG 58 HH11 ARG 58 1.744 -16.843 -0.818 434 H CYS 59 H CYS 59 -3.066 -9.127 -4.137 435 HA CYS 59 HA CYS 59 -2.352 -8.530 -6.862 436 HB2 CYS 59 HB2 CYS 59 -4.627 -7.917 -7.171 437 HB3 CYS 59 HB3 CYS 59 -4.582 -9.417 -6.266 438 H ASN 60 H ASN 60 -2.416 -7.053 -3.676 439 HA ASN 60 HA ASN 60 -2.373 -4.401 -4.809 440 HB2 ASN 60 HB2 ASN 60 -2.478 -3.633 -2.465 441 HB3 ASN 60 HB3 ASN 60 -3.694 -4.869 -2.718 442 HD21 ASN 60 HD21 ASN 60 -2.135 -3.903 -0.342 443 HD22 ASN 60 HD22 ASN 60 -1.464 -5.320 0.394 444 H ASN 61 H ASN 61 -0.173 -5.842 -5.693 445 HA ASN 61 HA ASN 61 1.974 -5.577 -3.839 446 HB2 ASN 61 HB2 ASN 61 3.259 -6.750 -5.446 447 HB3 ASN 61 HB3 ASN 61 1.644 -7.347 -5.775 448 HD21 ASN 61 HD21 ASN 61 0.735 -7.037 -7.698 449 HD22 ASN 61 HD22 ASN 61 1.409 -6.125 -9.008 Start of MODEL 15 1 H1 LEU 1 H1 LEU 1 -6.839 -15.937 1.772 2 H2 LEU 1 H2 LEU 1 -6.779 -14.767 2.942 3 H3 LEU 1 H3 LEU 1 -5.424 -15.648 2.582 4 HA LEU 1 HA LEU 1 -5.576 -14.784 0.304 5 HB2 LEU 1 HB2 LEU 1 -7.818 -14.026 0.297 6 HB3 LEU 1 HB3 LEU 1 -7.574 -13.030 1.718 7 HG LEU 1 HG LEU 1 -5.872 -11.726 0.242 8 HD11 LEU 1 HD11 LEU 1 -6.501 -11.729 -2.174 9 HD12 LEU 1 HD12 LEU 1 -5.704 -13.222 -1.621 10 HD13 LEU 1 HD13 LEU 1 -7.466 -13.194 -1.872 11 HD21 LEU 1 HD21 LEU 1 -7.748 -10.559 0.970 12 HD22 LEU 1 HD22 LEU 1 -7.854 -10.439 -0.803 13 HD23 LEU 1 HD23 LEU 1 -8.875 -11.605 0.072 14 H GLU 2 H GLU 2 -3.741 -13.602 -0.109 15 HA GLU 2 HA GLU 2 -2.591 -12.331 2.248 16 HB2 GLU 2 HB2 GLU 2 -1.144 -13.352 -0.234 17 HB3 GLU 2 HB3 GLU 2 -0.393 -12.754 1.232 18 HG2 GLU 2 HG2 GLU 2 -2.280 -15.153 1.195 19 HG3 GLU 2 HG3 GLU 2 -0.543 -15.305 1.022 20 H CYS 3 H CYS 3 -1.645 -10.223 2.068 21 HA CYS 3 HA CYS 3 -2.073 -8.897 -0.494 22 HB2 CYS 3 HB2 CYS 3 -2.877 -7.613 2.115 23 HB3 CYS 3 HB3 CYS 3 -3.124 -7.001 0.492 24 H HIS 4 H HIS 4 -0.395 -7.435 -0.983 25 HA HIS 4 HA HIS 4 1.980 -7.712 0.457 26 HB2 HIS 4 HB2 HIS 4 1.029 -6.005 -1.815 27 HB3 HIS 4 HB3 HIS 4 2.549 -5.601 -1.042 28 HD1 HIS 4 HD1 HIS 4 4.562 -7.199 -1.406 29 HD2 HIS 4 HD2 HIS 4 1.018 -8.464 -3.261 30 HE1 HIS 4 HE1 HIS 4 5.220 -9.085 -2.994 31 HE2 HIS 4 HE2 HIS 4 2.994 -9.858 -4.063 32 H ASN 5 H ASN 5 3.120 -6.257 1.829 33 HA ASN 5 HA ASN 5 1.440 -4.110 2.860 34 HB2 ASN 5 HB2 ASN 5 2.058 -4.643 5.110 35 HB3 ASN 5 HB3 ASN 5 1.737 -6.206 4.385 36 HD21 ASN 5 HD21 ASN 5 3.791 -4.566 6.299 37 HD22 ASN 5 HD22 ASN 5 5.262 -5.454 6.084 38 H GLN 6 H GLN 6 3.843 -4.508 0.862 39 HA GLN 6 HA GLN 6 6.108 -3.454 2.081 40 HB2 GLN 6 HB2 GLN 6 7.052 -3.525 -0.040 41 HB3 GLN 6 HB3 GLN 6 5.723 -4.646 -0.257 42 HG2 GLN 6 HG2 GLN 6 4.321 -2.663 -1.092 43 HG3 GLN 6 HG3 GLN 6 5.789 -1.707 -1.074 44 HE21 GLN 6 HE21 GLN 6 7.669 -3.555 -1.870 45 HE22 GLN 6 HE22 GLN 6 7.400 -4.027 -3.515 46 H GLN 7 H GLN 7 6.844 -1.344 2.401 47 HA GLN 7 HA GLN 7 4.864 0.698 1.780 48 HB2 GLN 7 HB2 GLN 7 5.311 0.475 4.172 49 HB3 GLN 7 HB3 GLN 7 7.041 0.587 3.911 50 HG2 GLN 7 HG2 GLN 7 6.707 2.913 2.971 51 HG3 GLN 7 HG3 GLN 7 5.001 2.793 3.356 52 HE21 GLN 7 HE21 GLN 7 8.074 3.610 4.450 53 HE22 GLN 7 HE22 GLN 7 7.748 3.838 6.135 54 H SER 8 H SER 8 5.484 2.632 0.707 55 HA SER 8 HA SER 8 6.551 3.702 -0.870 56 HB2 SER 8 HB2 SER 8 9.069 3.260 0.781 57 HB3 SER 8 HB3 SER 8 8.693 4.634 -0.239 58 HG SER 8 HG SER 8 7.226 5.408 1.245 59 H SER 9 H SER 9 9.732 3.122 -1.041 60 HA SER 9 HA SER 9 9.349 1.146 -3.110 61 HB2 SER 9 HB2 SER 9 11.704 1.791 -3.755 62 HB3 SER 9 HB3 SER 9 10.562 3.119 -3.797 63 HG SER 9 HG SER 9 12.832 2.795 -2.238 64 H GLN 10 H GLN 10 9.392 0.616 -0.074 65 HA GLN 10 HA GLN 10 11.829 -0.645 0.481 66 HB2 GLN 10 HB2 GLN 10 9.127 -1.206 1.773 67 HB3 GLN 10 HB3 GLN 10 10.708 -1.481 2.479 68 HG2 GLN 10 HG2 GLN 10 10.058 1.312 1.543 69 HG3 GLN 10 HG3 GLN 10 9.285 0.744 3.009 70 HE21 GLN 10 HE21 GLN 10 10.406 0.531 4.858 71 HE22 GLN 10 HE22 GLN 10 12.076 0.941 5.067 72 HA PRO 11 HA PRO 11 11.657 -4.724 -1.057 73 HB2 PRO 11 HB2 PRO 11 11.390 -5.737 1.750 74 HB3 PRO 11 HB3 PRO 11 12.611 -6.145 0.488 75 HG2 PRO 11 HG2 PRO 11 13.243 -4.558 2.508 76 HG3 PRO 11 HG3 PRO 11 13.776 -4.164 0.830 77 HD2 PRO 11 HD2 PRO 11 11.494 -3.041 2.428 78 HD3 PRO 11 HD3 PRO 11 12.708 -2.188 1.402 79 HA PRO 12 HA PRO 12 7.280 -5.542 -1.367 80 HB2 PRO 12 HB2 PRO 12 8.384 -8.030 -2.620 81 HB3 PRO 12 HB3 PRO 12 7.167 -6.860 -3.256 82 HG2 PRO 12 HG2 PRO 12 9.645 -6.859 -4.182 83 HG3 PRO 12 HG3 PRO 12 8.802 -5.307 -3.816 84 HD2 PRO 12 HD2 PRO 12 10.845 -6.804 -2.202 85 HD3 PRO 12 HD3 PRO 12 10.731 -5.040 -2.558 86 H THR 13 H THR 13 6.051 -6.396 0.338 87 HA THR 13 HA THR 13 6.846 -9.028 1.375 88 HB THR 13 HB THR 13 6.110 -7.943 3.668 89 HG1 THR 13 HG1 THR 13 5.425 -5.986 2.300 90 HG21 THR 13 HG21 THR 13 8.388 -6.855 3.969 91 HG22 THR 13 HG22 THR 13 8.481 -8.508 3.315 92 HG23 THR 13 HG23 THR 13 8.685 -7.110 2.233 93 H THR 14 H THR 14 4.969 -9.840 2.914 94 HA THR 14 HA THR 14 2.376 -9.018 1.869 95 HB THR 14 HB THR 14 1.973 -11.605 1.518 96 HG1 THR 14 HG1 THR 14 4.876 -11.182 1.363 97 HG21 THR 14 HG21 THR 14 3.731 -9.892 -0.304 98 HG22 THR 14 HG22 THR 14 3.185 -11.522 -0.766 99 HG23 THR 14 HG23 THR 14 1.993 -10.232 -0.479 100 H LYS 15 H LYS 15 0.565 -9.854 3.141 101 HA LYS 15 HA LYS 15 1.303 -11.019 5.689 102 HB2 LYS 15 HB2 LYS 15 0.278 -8.207 5.367 103 HB3 LYS 15 HB3 LYS 15 -0.140 -9.138 6.791 104 HG2 LYS 15 HG2 LYS 15 2.272 -9.539 7.261 105 HG3 LYS 15 HG3 LYS 15 2.715 -8.664 5.809 106 HD2 LYS 15 HD2 LYS 15 2.954 -7.103 7.625 107 HD3 LYS 15 HD3 LYS 15 1.504 -6.626 6.765 108 HE2 LYS 15 HE2 LYS 15 0.158 -8.012 8.449 109 HE3 LYS 15 HE3 LYS 15 1.640 -8.232 9.358 110 HZ1 LYS 15 HZ1 LYS 15 0.621 -5.580 8.630 111 HZ2 LYS 15 HZ2 LYS 15 0.236 -6.322 10.033 112 HZ3 LYS 15 HZ3 LYS 15 1.790 -5.933 9.714 113 H THR 16 H THR 16 -0.502 -12.012 6.768 114 HA THR 16 HA THR 16 -2.528 -12.845 4.909 115 HB THR 16 HB THR 16 -2.385 -13.476 7.886 116 HG1 THR 16 HG1 THR 16 -0.343 -14.162 7.374 117 HG21 THR 16 HG21 THR 16 -3.417 -14.772 5.367 118 HG22 THR 16 HG22 THR 16 -2.685 -15.838 6.590 119 HG23 THR 16 HG23 THR 16 -4.085 -14.825 7.016 120 H CYS 17 H CYS 17 -4.626 -12.241 4.744 121 HA CYS 17 HA CYS 17 -5.337 -9.878 6.239 122 HB2 CYS 17 HB2 CYS 17 -7.076 -11.237 4.197 123 HB3 CYS 17 HB3 CYS 17 -7.058 -9.553 4.682 124 H SER 18 H SER 18 -6.541 -9.991 8.105 125 HA SER 18 HA SER 18 -7.837 -12.536 8.636 126 HB2 SER 18 HB2 SER 18 -6.799 -10.306 10.410 127 HB3 SER 18 HB3 SER 18 -7.954 -11.468 11.033 128 HG SER 18 HG SER 18 -5.521 -12.299 9.717 129 H GLY 19 H GLY 19 -10.026 -12.617 8.304 130 HA2 GLY 19 HA2 GLY 19 -12.204 -12.005 8.463 131 HA3 GLY 19 HA3 GLY 19 -11.734 -10.512 9.252 132 H GLU 20 H GLU 20 -9.717 -10.394 6.704 133 HA GLU 20 HA GLU 20 -11.694 -8.973 5.116 134 HB2 GLU 20 HB2 GLU 20 -8.683 -8.710 4.831 135 HB3 GLU 20 HB3 GLU 20 -9.921 -7.575 4.332 136 HG2 GLU 20 HG2 GLU 20 -10.411 -6.934 6.597 137 HG3 GLU 20 HG3 GLU 20 -9.573 -8.323 7.260 138 H THR 21 H THR 21 -11.418 -9.056 2.687 139 HA THR 21 HA THR 21 -10.077 -11.488 1.765 140 HB THR 21 HB THR 21 -12.274 -11.918 0.425 141 HG1 THR 21 HG1 THR 21 -13.559 -10.137 0.845 142 HG21 THR 21 HG21 THR 21 -12.257 -12.137 3.480 143 HG22 THR 21 HG22 THR 21 -13.477 -12.906 2.437 144 HG23 THR 21 HG23 THR 21 -11.771 -13.400 2.325 145 H ASN 22 H ASN 22 -9.881 -8.367 1.661 146 HA ASN 22 HA ASN 22 -9.519 -8.371 -1.223 147 HB2 ASN 22 HB2 ASN 22 -10.659 -6.080 0.464 148 HB3 ASN 22 HB3 ASN 22 -10.230 -5.936 -1.229 149 HD21 ASN 22 HD21 ASN 22 -12.352 -7.474 1.097 150 HD22 ASN 22 HD22 ASN 22 -13.625 -7.919 0.010 151 H CYS 23 H CYS 23 -7.785 -6.788 -1.906 152 HA CYS 23 HA CYS 23 -6.002 -6.166 0.337 153 HB2 CYS 23 HB2 CYS 23 -5.187 -6.798 -2.506 154 HB3 CYS 23 HB3 CYS 23 -4.121 -6.485 -1.151 155 H TYR 24 H TYR 24 -5.222 -4.030 0.439 156 HA TYR 24 HA TYR 24 -6.213 -2.245 -1.682 157 HB2 TYR 24 HB2 TYR 24 -6.610 -0.676 0.120 158 HB3 TYR 24 HB3 TYR 24 -7.107 -2.211 0.804 159 HD1 TYR 24 HD2 TYR 24 -4.517 0.409 0.841 160 HD2 TYR 24 HD1 TYR 24 -5.823 -3.276 2.580 161 HE1 TYR 24 HE2 TYR 24 -2.889 0.732 2.767 162 HE2 TYR 24 HE1 TYR 24 -4.190 -2.941 4.499 163 HH TYR 24 HH TYR 24 -2.111 -0.057 4.614 164 H LYS 25 H LYS 25 -4.865 -0.410 -2.251 165 HA LYS 25 HA LYS 25 -2.115 -0.577 -1.292 166 HB2 LYS 25 HB2 LYS 25 -1.985 -1.929 -3.241 167 HB3 LYS 25 HB3 LYS 25 -2.994 -0.840 -4.172 168 HG2 LYS 25 HG2 LYS 25 -1.154 0.955 -3.748 169 HG3 LYS 25 HG3 LYS 25 -0.144 -0.371 -3.208 170 HD2 LYS 25 HD2 LYS 25 -0.362 -1.499 -5.385 171 HD3 LYS 25 HD3 LYS 25 -1.526 -0.308 -5.930 172 HE2 LYS 25 HE2 LYS 25 1.188 0.650 -5.001 173 HE3 LYS 25 HE3 LYS 25 1.061 -0.100 -6.580 174 HZ1 LYS 25 HZ1 LYS 25 0.269 2.464 -5.808 175 HZ2 LYS 25 HZ2 LYS 25 0.301 1.816 -7.307 176 HZ3 LYS 25 HZ3 LYS 25 -1.035 1.664 -6.379 177 H LYS 26 H LYS 26 -1.606 1.393 -0.518 178 HA LYS 26 HA LYS 26 -2.954 3.683 -1.767 179 HB2 LYS 26 HB2 LYS 26 -3.430 3.149 0.670 180 HB3 LYS 26 HB3 LYS 26 -1.761 3.561 1.013 181 HG2 LYS 26 HG2 LYS 26 -2.176 5.816 -0.129 182 HG3 LYS 26 HG3 LYS 26 -3.874 5.391 -0.214 183 HD2 LYS 26 HD2 LYS 26 -2.212 6.114 2.176 184 HD3 LYS 26 HD3 LYS 26 -3.873 6.535 1.809 185 HE2 LYS 26 HE2 LYS 26 -4.404 4.002 2.179 186 HE3 LYS 26 HE3 LYS 26 -2.815 3.903 2.912 187 HZ1 LYS 26 HZ1 LYS 26 -4.357 6.105 3.855 188 HZ2 LYS 26 HZ2 LYS 26 -5.048 4.659 4.174 189 HZ3 LYS 26 HZ3 LYS 26 -3.533 4.974 4.698 190 H TRP 27 H TRP 27 -1.731 5.470 -2.445 191 HA TRP 27 HA TRP 27 1.085 5.544 -1.937 192 HB2 TRP 27 HB2 TRP 27 1.894 5.217 -4.132 193 HB3 TRP 27 HB3 TRP 27 0.932 3.814 -3.712 194 HD1 TRP 27 HD1 TRP 27 1.051 6.677 -6.223 195 HE1 TRP 27 HE1 TRP 27 -0.794 6.424 -8.093 196 HE3 TRP 27 HE3 TRP 27 -1.459 2.872 -3.969 197 HZ2 TRP 27 HZ2 TRP 27 -3.045 4.700 -8.412 198 HZ3 TRP 27 HZ3 TRP 27 -3.470 1.961 -5.127 199 HH2 TRP 27 HH2 TRP 27 -4.272 2.813 -7.273 200 H TRP 28 H TRP 28 1.900 7.656 -2.404 201 HA TRP 28 HA TRP 28 0.319 9.493 -3.921 202 HB2 TRP 28 HB2 TRP 28 -0.222 11.031 -2.153 203 HB3 TRP 28 HB3 TRP 28 -0.986 9.480 -1.863 204 HD1 TRP 28 HD1 TRP 28 1.542 11.872 -0.309 205 HE1 TRP 28 HE1 TRP 28 2.292 11.085 2.095 206 HE3 TRP 28 HE3 TRP 28 -0.629 7.281 -0.562 207 HZ2 TRP 28 HZ2 TRP 28 1.902 8.684 3.588 208 HZ3 TRP 28 HZ3 TRP 28 -0.396 5.776 1.413 209 HH2 TRP 28 HH2 TRP 28 0.817 6.413 3.437 210 H SER 29 H SER 29 1.450 11.781 -3.676 211 HA SER 29 HA SER 29 4.298 11.201 -3.553 212 HB2 SER 29 HB2 SER 29 3.060 12.156 -5.673 213 HB3 SER 29 HB3 SER 29 3.089 13.681 -4.809 214 HG SER 29 HG SER 29 5.095 12.491 -6.212 215 H ASP 30 H ASP 30 5.740 12.842 -2.562 216 HA ASP 30 HA ASP 30 4.385 14.783 -0.915 217 HB2 ASP 30 HB2 ASP 30 6.354 12.721 0.183 218 HB3 ASP 30 HB3 ASP 30 5.728 14.082 1.091 219 H HIS 31 H HIS 31 6.178 16.236 0.196 220 HA HIS 31 HA HIS 31 7.979 17.031 -1.811 221 HB2 HIS 31 HB2 HIS 31 7.151 18.742 -0.462 222 HB3 HIS 31 HB3 HIS 31 7.425 17.854 1.024 223 HD1 HIS 31 HD1 HIS 31 9.783 18.987 -1.799 224 HD2 HIS 31 HD2 HIS 31 9.438 19.078 2.380 225 HE1 HIS 31 HE1 HIS 31 11.876 20.162 -0.935 226 HE2 HIS 31 HE2 HIS 31 11.581 20.236 1.635 227 H ARG 32 H ARG 32 8.066 14.462 0.416 228 HA ARG 32 HA ARG 32 10.958 14.573 0.561 229 HB2 ARG 32 HB2 ARG 32 9.573 14.173 2.665 230 HB3 ARG 32 HB3 ARG 32 9.036 12.655 1.973 231 HG2 ARG 32 HG2 ARG 32 11.428 11.899 1.810 232 HG3 ARG 32 HG3 ARG 32 11.944 13.407 2.539 233 HD2 ARG 32 HD2 ARG 32 10.505 12.853 4.564 234 HD3 ARG 32 HD3 ARG 32 10.160 11.295 3.842 235 HE ARG 32 HE ARG 32 12.998 11.661 3.869 236 HH11 ARG 32 HH22 ARG 32 10.329 11.137 6.102 237 HH12 ARG 32 HH21 ARG 32 11.311 10.350 7.292 238 HH21 ARG 32 HH12 ARG 32 14.294 10.623 5.439 239 HH22 ARG 32 HH11 ARG 32 13.581 10.055 6.912 240 H GLY 33 H GLY 33 8.200 12.865 -0.854 241 HA2 GLY 33 HA2 GLY 33 9.368 11.716 -2.960 242 HA3 GLY 33 HA3 GLY 33 9.782 10.577 -1.695 243 H THR 34 H THR 34 8.352 9.269 -3.367 244 HA THR 34 HA THR 34 5.508 9.699 -2.967 245 HB THR 34 HB THR 34 7.267 7.907 -4.694 246 HG1 THR 34 HG1 THR 34 6.771 10.068 -5.416 247 HG21 THR 34 HG21 THR 34 4.444 7.799 -5.382 248 HG22 THR 34 HG22 THR 34 5.555 6.444 -5.067 249 HG23 THR 34 HG23 THR 34 4.662 7.194 -3.722 250 H ILE 35 H ILE 35 4.485 8.973 -1.220 251 HA ILE 35 HA ILE 35 5.691 6.776 0.246 252 HB ILE 35 HB ILE 35 3.389 8.625 0.877 253 HG12 ILE 35 HG12 ILE 35 6.301 8.596 1.680 254 HG13 ILE 35 HG13 ILE 35 5.402 9.880 0.898 255 HG21 ILE 35 HG21 ILE 35 2.998 6.527 1.981 256 HG22 ILE 35 HG22 ILE 35 4.685 6.454 2.545 257 HG23 ILE 35 HG23 ILE 35 3.587 7.703 3.180 258 HD11 ILE 35 HD11 ILE 35 5.082 8.887 3.762 259 HD12 ILE 35 HD12 ILE 35 5.624 10.495 3.222 260 HD13 ILE 35 HD13 ILE 35 3.930 10.001 2.986 261 H ILE 36 H ILE 36 4.854 4.721 0.382 262 HA ILE 36 HA ILE 36 2.286 4.289 -0.965 263 HB ILE 36 HB ILE 36 4.648 2.444 -1.253 264 HG12 ILE 36 HG12 ILE 36 3.775 4.652 -3.139 265 HG13 ILE 36 HG13 ILE 36 5.266 4.607 -2.218 266 HG21 ILE 36 HG21 ILE 36 3.300 1.119 -2.439 267 HG22 ILE 36 HG22 ILE 36 1.961 2.042 -1.715 268 HG23 ILE 36 HG23 ILE 36 2.581 2.486 -3.323 269 HD11 ILE 36 HD11 ILE 36 4.441 2.548 -4.318 270 HD12 ILE 36 HD12 ILE 36 5.624 3.856 -4.560 271 HD13 ILE 36 HD13 ILE 36 5.969 2.545 -3.406 272 H GLU 37 H GLU 37 0.847 3.348 0.375 273 HA GLU 37 HA GLU 37 1.970 1.661 2.471 274 HB2 GLU 37 HB2 GLU 37 1.181 3.927 3.307 275 HB3 GLU 37 HB3 GLU 37 -0.440 3.499 2.798 276 HG2 GLU 37 HG2 GLU 37 -0.482 1.579 4.327 277 HG3 GLU 37 HG3 GLU 37 1.208 1.806 4.732 278 H ARG 38 H ARG 38 1.323 -0.418 2.131 279 HA ARG 38 HA ARG 38 -1.373 -0.747 1.084 280 HB2 ARG 38 HB2 ARG 38 0.872 -2.740 0.577 281 HB3 ARG 38 HB3 ARG 38 -0.648 -2.589 -0.282 282 HG2 ARG 38 HG2 ARG 38 0.064 -0.410 -1.226 283 HG3 ARG 38 HG3 ARG 38 1.552 -0.469 -0.303 284 HD2 ARG 38 HD2 ARG 38 1.781 -2.861 -1.561 285 HD3 ARG 38 HD3 ARG 38 0.761 -2.055 -2.736 286 HE ARG 38 HE ARG 38 3.294 -0.767 -1.779 287 HH11 ARG 38 HH22 ARG 38 1.256 -1.951 -4.392 288 HH12 ARG 38 HH21 ARG 38 2.261 -1.299 -5.643 289 HH21 ARG 38 HH12 ARG 38 4.620 0.093 -3.429 290 HH22 ARG 38 HH11 ARG 38 4.188 -0.128 -5.091 291 H GLY 39 H GLY 39 -2.364 -2.939 1.693 292 HA2 GLY 39 HA2 GLY 39 -1.223 -4.563 3.693 293 HA3 GLY 39 HA3 GLY 39 -2.248 -3.361 4.451 294 H CYS 40 H CYS 40 -3.357 -5.571 5.017 295 HA CYS 40 HA CYS 40 -4.896 -6.672 2.857 296 HB2 CYS 40 HB2 CYS 40 -4.565 -7.300 5.773 297 HB3 CYS 40 HB3 CYS 40 -5.926 -7.958 4.887 298 H GLY 41 H GLY 41 -7.276 -6.625 2.819 299 HA2 GLY 41 HA2 GLY 41 -9.344 -5.844 3.544 300 HA3 GLY 41 HA3 GLY 41 -8.560 -4.662 4.573 301 H CYS 42 H CYS 42 -10.256 -3.224 3.483 302 HA CYS 42 HA CYS 42 -8.967 -1.964 1.211 303 HB2 CYS 42 HB2 CYS 42 -10.513 -3.419 0.106 304 HB3 CYS 42 HB3 CYS 42 -11.818 -2.961 1.182 305 HA PRO 43 HA PRO 43 -10.415 0.792 4.660 306 HB2 PRO 43 HB2 PRO 43 -8.075 2.206 4.733 307 HB3 PRO 43 HB3 PRO 43 -8.275 0.630 5.585 308 HG2 PRO 43 HG2 PRO 43 -7.055 1.206 2.904 309 HG3 PRO 43 HG3 PRO 43 -6.422 0.195 4.257 310 HD2 PRO 43 HD2 PRO 43 -7.682 -0.872 2.136 311 HD3 PRO 43 HD3 PRO 43 -7.875 -1.531 3.803 312 H LYS 44 H LYS 44 -10.107 3.383 4.667 313 HA LYS 44 HA LYS 44 -10.567 4.227 1.890 314 HB2 LYS 44 HB2 LYS 44 -12.488 4.200 3.702 315 HB3 LYS 44 HB3 LYS 44 -11.734 5.688 4.236 316 HG2 LYS 44 HG2 LYS 44 -12.189 6.815 2.220 317 HG3 LYS 44 HG3 LYS 44 -12.255 5.336 1.282 318 HD2 LYS 44 HD2 LYS 44 -14.515 6.412 1.652 319 HD3 LYS 44 HD3 LYS 44 -14.428 4.746 2.189 320 HE2 LYS 44 HE2 LYS 44 -13.834 6.995 4.140 321 HE3 LYS 44 HE3 LYS 44 -15.495 6.569 3.778 322 HZ1 LYS 44 HZ1 LYS 44 -14.455 4.185 4.226 323 HZ2 LYS 44 HZ2 LYS 44 -13.515 5.076 5.221 324 HZ3 LYS 44 HZ3 LYS 44 -15.138 5.097 5.396 325 H VAL 45 H VAL 45 -9.519 6.078 1.140 326 HA VAL 45 HA VAL 45 -7.526 7.158 3.012 327 HB VAL 45 HB VAL 45 -6.095 7.517 1.111 328 HG11 VAL 45 HG11 VAL 45 -5.845 5.369 2.147 329 HG12 VAL 45 HG12 VAL 45 -7.240 4.712 1.257 330 HG13 VAL 45 HG13 VAL 45 -5.745 5.130 0.386 331 HG21 VAL 45 HG21 VAL 45 -7.456 8.048 -0.706 332 HG22 VAL 45 HG22 VAL 45 -6.852 6.428 -1.127 333 HG23 VAL 45 HG23 VAL 45 -8.497 6.623 -0.476 334 H LYS 46 H LYS 46 -6.887 9.480 2.499 335 HA LYS 46 HA LYS 46 -9.336 10.975 2.141 336 HB2 LYS 46 HB2 LYS 46 -6.627 12.152 2.735 337 HB3 LYS 46 HB3 LYS 46 -8.212 12.766 3.157 338 HG2 LYS 46 HG2 LYS 46 -8.365 10.406 4.468 339 HG3 LYS 46 HG3 LYS 46 -6.619 10.562 4.453 340 HD2 LYS 46 HD2 LYS 46 -8.260 12.960 5.279 341 HD3 LYS 46 HD3 LYS 46 -8.097 11.637 6.416 342 HE2 LYS 46 HE2 LYS 46 -5.662 12.845 5.044 343 HE3 LYS 46 HE3 LYS 46 -6.322 13.550 6.506 344 HZ1 LYS 46 HZ1 LYS 46 -6.033 11.438 7.597 345 HZ2 LYS 46 HZ2 LYS 46 -5.450 10.756 6.232 346 HZ3 LYS 46 HZ3 LYS 46 -4.609 11.942 6.977 347 HA PRO 47 HA PRO 47 -8.886 12.625 -1.843 348 HB2 PRO 47 HB2 PRO 47 -8.399 15.320 -0.630 349 HB3 PRO 47 HB3 PRO 47 -9.640 14.804 -1.832 350 HG2 PRO 47 HG2 PRO 47 -10.308 15.233 0.691 351 HG3 PRO 47 HG3 PRO 47 -10.953 13.802 -0.198 352 HD2 PRO 47 HD2 PRO 47 -8.701 13.972 1.783 353 HD3 PRO 47 HD3 PRO 47 -10.031 12.760 1.656 354 H GLY 48 H GLY 48 -7.135 12.713 -3.309 355 HA2 GLY 48 HA2 GLY 48 -5.126 13.688 -4.065 356 HA3 GLY 48 HA3 GLY 48 -4.647 14.001 -2.409 357 H VAL 49 H VAL 49 -5.431 11.349 -1.349 358 HA VAL 49 HA VAL 49 -3.053 9.948 -2.155 359 HB VAL 49 HB VAL 49 -5.145 8.956 -0.239 360 HG11 VAL 49 HG11 VAL 49 -2.136 8.666 -0.472 361 HG12 VAL 49 HG12 VAL 49 -3.067 8.142 0.952 362 HG13 VAL 49 HG13 VAL 49 -3.377 7.401 -0.636 363 HG21 VAL 49 HG21 VAL 49 -3.602 11.438 -0.030 364 HG22 VAL 49 HG22 VAL 49 -4.978 10.858 0.938 365 HG23 VAL 49 HG23 VAL 49 -3.326 10.329 1.335 366 H ASN 50 H ASN 50 -2.966 7.863 -3.118 367 HA ASN 50 HA ASN 50 -5.338 7.322 -4.682 368 HB2 ASN 50 HB2 ASN 50 -2.404 6.534 -4.904 369 HB3 ASN 50 HB3 ASN 50 -3.617 5.654 -5.812 370 HD21 ASN 50 HD21 ASN 50 -1.771 8.518 -5.515 371 HD22 ASN 50 HD22 ASN 50 -2.341 9.366 -6.914 372 H LEU 51 H LEU 51 -6.337 5.197 -4.638 373 HA LEU 51 HA LEU 51 -5.187 3.231 -2.835 374 HB2 LEU 51 HB2 LEU 51 -6.523 4.469 -1.317 375 HB3 LEU 51 HB3 LEU 51 -7.868 4.545 -2.438 376 HG LEU 51 HG LEU 51 -8.273 2.154 -2.186 377 HD11 LEU 51 HD11 LEU 51 -6.525 0.854 -1.709 378 HD12 LEU 51 HD12 LEU 51 -5.611 2.197 -0.981 379 HD13 LEU 51 HD13 LEU 51 -6.803 1.301 -0.009 380 HD21 LEU 51 HD21 LEU 51 -8.552 4.120 -0.124 381 HD22 LEU 51 HD22 LEU 51 -9.611 2.745 -0.521 382 HD23 LEU 51 HD23 LEU 51 -8.266 2.531 0.625 383 H ASN 52 H ASN 52 -5.647 1.116 -3.450 384 HA ASN 52 HA ASN 52 -7.577 0.837 -5.598 385 HB2 ASN 52 HB2 ASN 52 -5.501 0.913 -6.825 386 HB3 ASN 52 HB3 ASN 52 -4.654 -0.030 -5.615 387 HD21 ASN 52 HD21 ASN 52 -6.897 -0.067 -8.274 388 HD22 ASN 52 HD22 ASN 52 -6.908 -1.772 -8.576 389 H CYS 53 H CYS 53 -8.965 -0.845 -5.023 390 HA CYS 53 HA CYS 53 -7.919 -2.799 -3.109 391 HB2 CYS 53 HB2 CYS 53 -10.790 -1.973 -3.593 392 HB3 CYS 53 HB3 CYS 53 -10.245 -3.167 -2.431 393 H CYS 54 H CYS 54 -8.354 -5.056 -3.539 394 HA CYS 54 HA CYS 54 -9.743 -5.708 -5.974 395 HB2 CYS 54 HB2 CYS 54 -7.700 -7.160 -6.659 396 HB3 CYS 54 HB3 CYS 54 -7.787 -5.473 -7.125 397 H ARG 55 H ARG 55 -9.932 -8.184 -6.132 398 HA ARG 55 HA ARG 55 -9.843 -9.251 -3.426 399 HB2 ARG 55 HB2 ARG 55 -11.684 -9.944 -5.770 400 HB3 ARG 55 HB3 ARG 55 -11.683 -10.812 -4.248 401 HG2 ARG 55 HG2 ARG 55 -12.649 -9.046 -3.067 402 HG3 ARG 55 HG3 ARG 55 -11.941 -7.820 -4.100 403 HD2 ARG 55 HD2 ARG 55 -14.253 -7.780 -4.670 404 HD3 ARG 55 HD3 ARG 55 -13.518 -8.698 -5.969 405 HE ARG 55 HE ARG 55 -14.730 -10.567 -5.276 406 HH11 ARG 55 HH22 ARG 55 -14.506 -8.310 -2.586 407 HH12 ARG 55 HH21 ARG 55 -15.542 -9.238 -1.554 408 HH21 ARG 55 HH12 ARG 55 -16.097 -11.792 -3.915 409 HH22 ARG 55 HH11 ARG 55 -16.453 -11.232 -2.315 410 H THR 56 H THR 56 -7.459 -9.376 -4.833 411 HA THR 56 HA THR 56 -7.319 -12.230 -5.505 412 HB THR 56 HB THR 56 -5.546 -11.311 -7.273 413 HG1 THR 56 HG1 THR 56 -7.515 -9.180 -7.224 414 HG21 THR 56 HG21 THR 56 -7.371 -10.967 -8.975 415 HG22 THR 56 HG22 THR 56 -7.634 -12.440 -8.009 416 HG23 THR 56 HG23 THR 56 -8.568 -10.966 -7.657 417 H ASP 57 H ASP 57 -5.437 -13.298 -4.879 418 HA ASP 57 HA ASP 57 -4.253 -12.296 -2.608 419 HB2 ASP 57 HB2 ASP 57 -3.151 -14.390 -4.541 420 HB3 ASP 57 HB3 ASP 57 -2.651 -14.191 -2.874 421 H ARG 58 H ARG 58 -2.221 -11.227 -2.257 422 HA ARG 58 HA ARG 58 -0.723 -9.722 -2.764 423 HB2 ARG 58 HB2 ARG 58 0.259 -11.628 -4.927 424 HB3 ARG 58 HB3 ARG 58 1.221 -10.617 -3.866 425 HG2 ARG 58 HG2 ARG 58 0.136 -12.037 -1.922 426 HG3 ARG 58 HG3 ARG 58 -0.267 -13.176 -3.191 427 HD2 ARG 58 HD2 ARG 58 2.043 -13.548 -3.751 428 HD3 ARG 58 HD3 ARG 58 2.572 -12.120 -2.884 429 HE ARG 58 HE ARG 58 2.626 -13.383 -0.923 430 HH11 ARG 58 HH22 ARG 58 0.509 -14.982 -3.235 431 HH12 ARG 58 HH21 ARG 58 0.255 -16.373 -2.233 432 HH21 ARG 58 HH12 ARG 58 2.291 -15.217 0.398 433 HH22 ARG 58 HH11 ARG 58 1.275 -16.507 -0.153 434 H CYS 59 H CYS 59 -3.144 -9.172 -4.163 435 HA CYS 59 HA CYS 59 -2.425 -8.612 -6.897 436 HB2 CYS 59 HB2 CYS 59 -4.692 -7.918 -7.189 437 HB3 CYS 59 HB3 CYS 59 -4.669 -9.443 -6.326 438 H ASN 60 H ASN 60 -2.483 -7.110 -3.715 439 HA ASN 60 HA ASN 60 -2.356 -4.470 -4.869 440 HB2 ASN 60 HB2 ASN 60 -2.466 -3.681 -2.532 441 HB3 ASN 60 HB3 ASN 60 -3.714 -4.884 -2.791 442 HD21 ASN 60 HD21 ASN 60 -2.121 -3.936 -0.413 443 HD22 ASN 60 HD22 ASN 60 -1.512 -5.370 0.345 444 H ASN 61 H ASN 61 -0.184 -6.022 -5.691 445 HA ASN 61 HA ASN 61 1.947 -6.106 -3.940 446 HB2 ASN 61 HB2 ASN 61 2.280 -5.648 -6.933 447 HB3 ASN 61 HB3 ASN 61 3.276 -6.628 -5.874 448 HD21 ASN 61 HD21 ASN 61 2.863 -8.716 -5.634 449 HD22 ASN 61 HD22 ASN 61 1.493 -9.569 -6.262 Start of MODEL 16 1 H1 LEU 1 H1 LEU 1 -5.513 -15.935 2.304 2 H2 LEU 1 H2 LEU 1 -7.114 -15.685 1.966 3 H3 LEU 1 H3 LEU 1 -6.359 -14.770 3.122 4 HA LEU 1 HA LEU 1 -5.567 -14.810 0.329 5 HB2 LEU 1 HB2 LEU 1 -7.808 -14.060 0.313 6 HB3 LEU 1 HB3 LEU 1 -7.575 -13.062 1.734 7 HG LEU 1 HG LEU 1 -5.861 -11.766 0.241 8 HD11 LEU 1 HD11 LEU 1 -5.742 -13.230 -1.640 9 HD12 LEU 1 HD12 LEU 1 -7.511 -13.225 -1.836 10 HD13 LEU 1 HD13 LEU 1 -6.574 -11.747 -2.163 11 HD21 LEU 1 HD21 LEU 1 -8.867 -11.606 0.120 12 HD22 LEU 1 HD22 LEU 1 -7.718 -10.597 1.031 13 HD23 LEU 1 HD23 LEU 1 -7.836 -10.435 -0.737 14 H GLU 2 H GLU 2 -3.736 -13.628 -0.097 15 HA GLU 2 HA GLU 2 -2.584 -12.335 2.246 16 HB2 GLU 2 HB2 GLU 2 -1.089 -13.276 -0.233 17 HB3 GLU 2 HB3 GLU 2 -0.400 -12.803 1.307 18 HG2 GLU 2 HG2 GLU 2 -1.493 -14.739 2.419 19 HG3 GLU 2 HG3 GLU 2 -2.260 -15.195 0.911 20 H CYS 3 H CYS 3 -1.661 -10.220 2.056 21 HA CYS 3 HA CYS 3 -2.101 -8.910 -0.512 22 HB2 CYS 3 HB2 CYS 3 -2.917 -7.636 2.100 23 HB3 CYS 3 HB3 CYS 3 -3.150 -7.008 0.481 24 H HIS 4 H HIS 4 -0.431 -7.447 -1.015 25 HA HIS 4 HA HIS 4 1.955 -7.705 0.393 26 HB2 HIS 4 HB2 HIS 4 0.955 -5.966 -1.832 27 HB3 HIS 4 HB3 HIS 4 2.480 -5.558 -1.071 28 HD1 HIS 4 HD1 HIS 4 4.515 -7.070 -1.551 29 HD2 HIS 4 HD2 HIS 4 0.945 -8.450 -3.266 30 HE1 HIS 4 HE1 HIS 4 5.172 -8.932 -3.167 31 HE2 HIS 4 HE2 HIS 4 2.932 -9.778 -4.149 32 H ASN 5 H ASN 5 3.162 -6.137 1.654 33 HA ASN 5 HA ASN 5 1.469 -4.055 2.775 34 HB2 ASN 5 HB2 ASN 5 2.163 -4.592 5.028 35 HB3 ASN 5 HB3 ASN 5 1.685 -6.116 4.307 36 HD21 ASN 5 HD21 ASN 5 2.973 -7.715 4.756 37 HD22 ASN 5 HD22 ASN 5 4.691 -7.663 4.970 38 H GLN 6 H GLN 6 3.875 -4.468 0.777 39 HA GLN 6 HA GLN 6 6.145 -3.440 2.008 40 HB2 GLN 6 HB2 GLN 6 7.097 -3.516 -0.108 41 HB3 GLN 6 HB3 GLN 6 5.754 -4.618 -0.338 42 HG2 GLN 6 HG2 GLN 6 4.394 -2.843 -1.359 43 HG3 GLN 6 HG3 GLN 6 5.608 -1.637 -0.983 44 HE21 GLN 6 HE21 GLN 6 5.716 -4.935 -2.330 45 HE22 GLN 6 HE22 GLN 6 6.593 -4.554 -3.774 46 H GLN 7 H GLN 7 6.910 -1.337 2.324 47 HA GLN 7 HA GLN 7 4.944 0.725 1.722 48 HB2 GLN 7 HB2 GLN 7 7.238 0.996 3.694 49 HB3 GLN 7 HB3 GLN 7 5.768 1.947 3.609 50 HG2 GLN 7 HG2 GLN 7 5.319 0.479 5.400 51 HG3 GLN 7 HG3 GLN 7 4.516 -0.310 4.057 52 HE21 GLN 7 HE21 GLN 7 4.855 -2.034 5.803 53 HE22 GLN 7 HE22 GLN 7 6.250 -3.047 5.635 54 H SER 8 H SER 8 5.567 2.648 0.637 55 HA SER 8 HA SER 8 6.627 3.695 -0.963 56 HB2 SER 8 HB2 SER 8 9.151 3.300 0.688 57 HB3 SER 8 HB3 SER 8 8.741 4.667 -0.328 58 HG SER 8 HG SER 8 7.447 3.896 2.145 59 H SER 9 H SER 9 9.806 3.156 -1.132 60 HA SER 9 HA SER 9 9.455 1.153 -3.175 61 HB2 SER 9 HB2 SER 9 11.463 1.949 -4.118 62 HB3 SER 9 HB3 SER 9 10.737 3.397 -3.449 63 HG SER 9 HG SER 9 13.151 2.282 -2.859 64 H GLN 10 H GLN 10 9.467 0.644 -0.134 65 HA GLN 10 HA GLN 10 11.904 -0.625 0.435 66 HB2 GLN 10 HB2 GLN 10 9.209 -1.149 1.756 67 HB3 GLN 10 HB3 GLN 10 10.795 -1.402 2.456 68 HG2 GLN 10 HG2 GLN 10 10.128 1.366 1.462 69 HG3 GLN 10 HG3 GLN 10 9.368 0.828 2.946 70 HE21 GLN 10 HE21 GLN 10 11.340 2.914 2.502 71 HE22 GLN 10 HE22 GLN 10 12.718 2.552 3.486 72 HA PRO 11 HA PRO 11 11.671 -4.725 -1.035 73 HB2 PRO 11 HB2 PRO 11 11.400 -5.690 1.789 74 HB3 PRO 11 HB3 PRO 11 12.612 -6.135 0.529 75 HG2 PRO 11 HG2 PRO 11 13.273 -4.525 2.521 76 HG3 PRO 11 HG3 PRO 11 13.805 -4.165 0.836 77 HD2 PRO 11 HD2 PRO 11 11.544 -2.987 2.423 78 HD3 PRO 11 HD3 PRO 11 12.765 -2.166 1.380 79 HA PRO 12 HA PRO 12 7.265 -5.439 -1.298 80 HB2 PRO 12 HB2 PRO 12 8.312 -7.914 -2.622 81 HB3 PRO 12 HB3 PRO 12 7.102 -6.714 -3.212 82 HG2 PRO 12 HG2 PRO 12 9.564 -6.728 -4.180 83 HG3 PRO 12 HG3 PRO 12 8.750 -5.173 -3.767 84 HD2 PRO 12 HD2 PRO 12 10.797 -6.733 -2.219 85 HD3 PRO 12 HD3 PRO 12 10.703 -4.961 -2.537 86 H THR 13 H THR 13 6.038 -6.325 0.391 87 HA THR 13 HA THR 13 6.828 -8.979 1.374 88 HB THR 13 HB THR 13 6.107 -7.933 3.690 89 HG1 THR 13 HG1 THR 13 6.603 -5.566 3.560 90 HG21 THR 13 HG21 THR 13 8.475 -8.503 3.307 91 HG22 THR 13 HG22 THR 13 8.678 -7.077 2.261 92 HG23 THR 13 HG23 THR 13 8.390 -6.868 4.005 93 H THR 14 H THR 14 4.958 -9.815 2.907 94 HA THR 14 HA THR 14 2.364 -8.973 1.872 95 HB THR 14 HB THR 14 1.953 -11.559 1.524 96 HG1 THR 14 HG1 THR 14 3.881 -12.709 1.483 97 HG21 THR 14 HG21 THR 14 3.123 -11.491 -0.763 98 HG22 THR 14 HG22 THR 14 1.995 -10.148 -0.464 99 HG23 THR 14 HG23 THR 14 3.749 -9.889 -0.306 100 H LYS 15 H LYS 15 0.550 -9.796 3.145 101 HA LYS 15 HA LYS 15 1.288 -10.952 5.699 102 HB2 LYS 15 HB2 LYS 15 1.521 -8.449 5.915 103 HB3 LYS 15 HB3 LYS 15 -0.194 -8.312 5.583 104 HG2 LYS 15 HG2 LYS 15 -0.806 -9.459 7.582 105 HG3 LYS 15 HG3 LYS 15 0.782 -10.176 7.771 106 HD2 LYS 15 HD2 LYS 15 0.545 -8.373 9.403 107 HD3 LYS 15 HD3 LYS 15 1.742 -7.895 8.215 108 HE2 LYS 15 HE2 LYS 15 0.273 -6.354 7.157 109 HE3 LYS 15 HE3 LYS 15 -1.162 -7.125 7.801 110 HZ1 LYS 15 HZ1 LYS 15 -1.056 -5.634 9.402 111 HZ2 LYS 15 HZ2 LYS 15 0.281 -6.371 9.982 112 HZ3 LYS 15 HZ3 LYS 15 0.425 -5.109 8.956 113 H THR 16 H THR 16 -0.512 -11.953 6.777 114 HA THR 16 HA THR 16 -2.531 -12.806 4.918 115 HB THR 16 HB THR 16 -2.383 -13.431 7.895 116 HG1 THR 16 HG1 THR 16 -0.586 -14.735 7.362 117 HG21 THR 16 HG21 THR 16 -4.079 -14.786 7.022 118 HG22 THR 16 HG22 THR 16 -3.400 -14.744 5.377 119 HG23 THR 16 HG23 THR 16 -2.673 -15.798 6.613 120 H CYS 17 H CYS 17 -4.618 -12.188 4.730 121 HA CYS 17 HA CYS 17 -5.347 -9.830 6.209 122 HB2 CYS 17 HB2 CYS 17 -7.096 -11.242 4.211 123 HB3 CYS 17 HB3 CYS 17 -7.087 -9.549 4.665 124 H SER 18 H SER 18 -6.527 -9.921 8.092 125 HA SER 18 HA SER 18 -7.793 -12.467 8.683 126 HB2 SER 18 HB2 SER 18 -6.796 -10.181 10.416 127 HB3 SER 18 HB3 SER 18 -7.891 -11.387 11.062 128 HG SER 18 HG SER 18 -6.338 -12.915 11.002 129 H GLY 19 H GLY 19 -9.983 -12.577 8.368 130 HA2 GLY 19 HA2 GLY 19 -12.167 -11.987 8.522 131 HA3 GLY 19 HA3 GLY 19 -11.711 -10.485 9.302 132 H GLU 20 H GLU 20 -9.706 -10.363 6.741 133 HA GLU 20 HA GLU 20 -11.707 -8.971 5.155 134 HB2 GLU 20 HB2 GLU 20 -8.702 -8.672 4.856 135 HB3 GLU 20 HB3 GLU 20 -9.956 -7.554 4.358 136 HG2 GLU 20 HG2 GLU 20 -10.496 -7.007 6.678 137 HG3 GLU 20 HG3 GLU 20 -9.461 -8.287 7.279 138 H THR 21 H THR 21 -11.418 -9.054 2.721 139 HA THR 21 HA THR 21 -10.062 -11.481 1.811 140 HB THR 21 HB THR 21 -12.253 -11.934 0.471 141 HG1 THR 21 HG1 THR 21 -13.466 -10.570 2.696 142 HG21 THR 21 HG21 THR 21 -12.231 -12.141 3.527 143 HG22 THR 21 HG22 THR 21 -13.454 -12.915 2.491 144 HG23 THR 21 HG23 THR 21 -11.747 -13.407 2.373 145 H ASN 22 H ASN 22 -9.880 -8.363 1.695 146 HA ASN 22 HA ASN 22 -9.533 -8.372 -1.192 147 HB2 ASN 22 HB2 ASN 22 -10.649 -6.076 0.505 148 HB3 ASN 22 HB3 ASN 22 -10.234 -5.934 -1.192 149 HD21 ASN 22 HD21 ASN 22 -12.337 -7.478 1.152 150 HD22 ASN 22 HD22 ASN 22 -13.623 -7.912 0.076 151 H CYS 23 H CYS 23 -7.801 -6.791 -1.889 152 HA CYS 23 HA CYS 23 -5.992 -6.187 0.337 153 HB2 CYS 23 HB2 CYS 23 -5.208 -6.792 -2.520 154 HB3 CYS 23 HB3 CYS 23 -4.129 -6.504 -1.170 155 H TYR 24 H TYR 24 -5.209 -4.053 0.449 156 HA TYR 24 HA TYR 24 -6.213 -2.250 -1.650 157 HB2 TYR 24 HB2 TYR 24 -6.606 -0.698 0.165 158 HB3 TYR 24 HB3 TYR 24 -7.092 -2.238 0.844 159 HD1 TYR 24 HD1 TYR 24 -4.537 0.408 0.895 160 HD2 TYR 24 HD2 TYR 24 -5.765 -3.325 2.585 161 HE1 TYR 24 HE1 TYR 24 -2.895 0.727 2.810 162 HE2 TYR 24 HE2 TYR 24 -4.120 -2.994 4.495 163 HH TYR 24 HH TYR 24 -2.644 -0.018 5.105 164 H LYS 25 H LYS 25 -4.867 -0.402 -2.199 165 HA LYS 25 HA LYS 25 -2.118 -0.565 -1.248 166 HB2 LYS 25 HB2 LYS 25 -1.923 -1.918 -3.168 167 HB3 LYS 25 HB3 LYS 25 -3.003 -0.911 -4.111 168 HG2 LYS 25 HG2 LYS 25 -1.381 0.856 -4.296 169 HG3 LYS 25 HG3 LYS 25 -0.389 0.193 -3.012 170 HD2 LYS 25 HD2 LYS 25 0.709 -0.353 -5.094 171 HD3 LYS 25 HD3 LYS 25 0.034 -1.846 -4.472 172 HE2 LYS 25 HE2 LYS 25 -1.637 -0.169 -6.358 173 HE3 LYS 25 HE3 LYS 25 -0.338 -1.140 -7.021 174 HZ1 LYS 25 HZ1 LYS 25 -1.828 -2.637 -5.173 175 HZ2 LYS 25 HZ2 LYS 25 -2.826 -2.002 -6.299 176 HZ3 LYS 25 HZ3 LYS 25 -1.564 -2.932 -6.758 177 H LYS 26 H LYS 26 -1.648 1.412 -0.468 178 HA LYS 26 HA LYS 26 -2.974 3.687 -1.767 179 HB2 LYS 26 HB2 LYS 26 -3.662 3.387 0.545 180 HB3 LYS 26 HB3 LYS 26 -1.995 3.342 1.081 181 HG2 LYS 26 HG2 LYS 26 -1.662 5.676 0.229 182 HG3 LYS 26 HG3 LYS 26 -3.334 5.720 -0.294 183 HD2 LYS 26 HD2 LYS 26 -2.609 6.689 2.093 184 HD3 LYS 26 HD3 LYS 26 -4.162 5.910 1.867 185 HE2 LYS 26 HE2 LYS 26 -3.327 3.800 2.763 186 HE3 LYS 26 HE3 LYS 26 -1.675 4.383 2.757 187 HZ1 LYS 26 HZ1 LYS 26 -3.788 4.945 4.614 188 HZ2 LYS 26 HZ2 LYS 26 -2.174 4.881 4.858 189 HZ3 LYS 26 HZ3 LYS 26 -2.853 6.229 4.233 190 H TRP 27 H TRP 27 -1.739 5.471 -2.430 191 HA TRP 27 HA TRP 27 1.065 5.550 -1.849 192 HB2 TRP 27 HB2 TRP 27 1.914 5.243 -4.041 193 HB3 TRP 27 HB3 TRP 27 0.973 3.826 -3.621 194 HD1 TRP 27 HD1 TRP 27 1.042 6.700 -6.131 195 HE1 TRP 27 HE1 TRP 27 -0.769 6.390 -8.026 196 HE3 TRP 27 HE3 TRP 27 -1.362 2.801 -3.924 197 HZ2 TRP 27 HZ2 TRP 27 -2.954 4.589 -8.381 198 HZ3 TRP 27 HZ3 TRP 27 -3.325 1.824 -5.112 199 HH2 TRP 27 HH2 TRP 27 -4.128 2.656 -7.265 200 H TRP 28 H TRP 28 1.881 7.666 -2.270 201 HA TRP 28 HA TRP 28 0.325 9.504 -3.820 202 HB2 TRP 28 HB2 TRP 28 -0.242 11.036 -2.063 203 HB3 TRP 28 HB3 TRP 28 -0.993 9.481 -1.764 204 HD1 TRP 28 HD1 TRP 28 1.359 11.964 -0.153 205 HE1 TRP 28 HE1 TRP 28 2.164 11.180 2.234 206 HE3 TRP 28 HE3 TRP 28 -0.415 7.215 -0.538 207 HZ2 TRP 28 HZ2 TRP 28 1.972 8.717 3.662 208 HZ3 TRP 28 HZ3 TRP 28 -0.064 5.684 1.398 209 HH2 TRP 28 HH2 TRP 28 1.083 6.367 3.445 210 H SER 29 H SER 29 1.457 11.791 -3.558 211 HA SER 29 HA SER 29 4.301 11.205 -3.434 212 HB2 SER 29 HB2 SER 29 4.599 13.179 -4.871 213 HB3 SER 29 HB3 SER 29 3.446 12.073 -5.591 214 HG SER 29 HG SER 29 2.987 14.618 -4.359 215 H ASP 30 H ASP 30 5.751 12.848 -2.433 216 HA ASP 30 HA ASP 30 4.398 14.738 -0.727 217 HB2 ASP 30 HB2 ASP 30 4.718 12.580 0.577 218 HB3 ASP 30 HB3 ASP 30 6.446 12.736 0.334 219 H HIS 31 H HIS 31 6.200 16.172 0.406 220 HA HIS 31 HA HIS 31 7.967 17.034 -1.605 221 HB2 HIS 31 HB2 HIS 31 7.023 18.625 -0.097 222 HB3 HIS 31 HB3 HIS 31 7.614 17.760 1.308 223 HD1 HIS 31 HD1 HIS 31 8.428 20.559 -0.833 224 HD2 HIS 31 HD2 HIS 31 10.633 17.750 1.369 225 HE1 HIS 31 HE1 HIS 31 10.763 21.547 -0.550 226 HE2 HIS 31 HE2 HIS 31 12.056 19.802 0.857 227 H ARG 32 H ARG 32 8.102 14.412 0.561 228 HA ARG 32 HA ARG 32 10.996 14.538 0.661 229 HB2 ARG 32 HB2 ARG 32 9.784 14.099 2.804 230 HB3 ARG 32 HB3 ARG 32 9.026 12.686 2.098 231 HG2 ARG 32 HG2 ARG 32 10.925 11.929 3.414 232 HG3 ARG 32 HG3 ARG 32 11.317 11.687 1.723 233 HD2 ARG 32 HD2 ARG 32 12.569 13.883 1.731 234 HD3 ARG 32 HD3 ARG 32 12.230 14.045 3.443 235 HE ARG 32 HE ARG 32 13.385 11.548 3.311 236 HH11 ARG 32 HH22 ARG 32 14.359 14.702 2.093 237 HH12 ARG 32 HH21 ARG 32 16.054 14.364 2.203 238 HH21 ARG 32 HH12 ARG 32 15.621 11.101 3.457 239 HH22 ARG 32 HH11 ARG 32 16.777 12.301 2.984 240 H GLY 33 H GLY 33 8.224 12.843 -0.742 241 HA2 GLY 33 HA2 GLY 33 9.365 11.745 -2.892 242 HA3 GLY 33 HA3 GLY 33 9.803 10.582 -1.657 243 H THR 34 H THR 34 8.354 9.302 -3.334 244 HA THR 34 HA THR 34 5.516 9.714 -2.902 245 HB THR 34 HB THR 34 7.245 7.880 -4.625 246 HG1 THR 34 HG1 THR 34 6.067 9.229 -6.212 247 HG21 THR 34 HG21 THR 34 4.723 7.629 -5.651 248 HG22 THR 34 HG22 THR 34 5.426 6.433 -4.536 249 HG23 THR 34 HG23 THR 34 4.332 7.693 -3.915 250 H ILE 35 H ILE 35 4.523 8.993 -1.134 251 HA ILE 35 HA ILE 35 5.734 6.777 0.298 252 HB ILE 35 HB ILE 35 3.397 8.553 1.010 253 HG12 ILE 35 HG12 ILE 35 6.351 8.767 1.610 254 HG13 ILE 35 HG13 ILE 35 5.307 9.955 0.856 255 HG21 ILE 35 HG21 ILE 35 5.015 6.679 2.757 256 HG22 ILE 35 HG22 ILE 35 3.640 7.695 3.256 257 HG23 ILE 35 HG23 ILE 35 3.385 6.345 2.124 258 HD11 ILE 35 HD11 ILE 35 4.022 10.197 2.975 259 HD12 ILE 35 HD12 ILE 35 5.077 8.985 3.743 260 HD13 ILE 35 HD13 ILE 35 5.751 10.547 3.218 261 H ILE 36 H ILE 36 4.914 4.721 0.385 262 HA ILE 36 HA ILE 36 2.304 4.319 -0.891 263 HB ILE 36 HB ILE 36 4.642 2.463 -1.278 264 HG12 ILE 36 HG12 ILE 36 3.773 4.742 -3.080 265 HG13 ILE 36 HG13 ILE 36 5.282 4.637 -2.196 266 HG21 ILE 36 HG21 ILE 36 2.528 2.604 -3.302 267 HG22 ILE 36 HG22 ILE 36 3.256 1.197 -2.490 268 HG23 ILE 36 HG23 ILE 36 1.947 2.105 -1.696 269 HD11 ILE 36 HD11 ILE 36 5.514 3.953 -4.598 270 HD12 ILE 36 HD12 ILE 36 5.958 2.648 -3.472 271 HD13 ILE 36 HD13 ILE 36 4.382 2.613 -4.298 272 H GLU 37 H GLU 37 0.899 3.274 0.414 273 HA GLU 37 HA GLU 37 2.077 1.561 2.454 274 HB2 GLU 37 HB2 GLU 37 1.469 3.267 3.879 275 HB3 GLU 37 HB3 GLU 37 0.252 3.899 2.788 276 HG2 GLU 37 HG2 GLU 37 -0.824 2.935 4.787 277 HG3 GLU 37 HG3 GLU 37 -1.272 2.018 3.362 278 H ARG 38 H ARG 38 1.396 -0.501 2.082 279 HA ARG 38 HA ARG 38 -1.332 -0.773 1.101 280 HB2 ARG 38 HB2 ARG 38 0.861 -2.798 0.509 281 HB3 ARG 38 HB3 ARG 38 -0.667 -2.587 -0.323 282 HG2 ARG 38 HG2 ARG 38 0.256 -0.179 -0.900 283 HG3 ARG 38 HG3 ARG 38 1.819 -0.853 -0.479 284 HD2 ARG 38 HD2 ARG 38 -0.057 -2.159 -2.505 285 HD3 ARG 38 HD3 ARG 38 1.183 -1.007 -2.960 286 HE ARG 38 HE ARG 38 2.018 -3.382 -1.368 287 HH11 ARG 38 HH22 ARG 38 1.972 -1.685 -4.450 288 HH12 ARG 38 HH21 ARG 38 3.231 -2.650 -5.145 289 HH21 ARG 38 HH12 ARG 38 3.679 -4.655 -2.284 290 HH22 ARG 38 HH11 ARG 38 4.209 -4.351 -3.905 291 H GLY 39 H GLY 39 -2.343 -2.960 1.693 292 HA2 GLY 39 HA2 GLY 39 -1.175 -4.631 3.646 293 HA3 GLY 39 HA3 GLY 39 -2.183 -3.435 4.436 294 H CYS 40 H CYS 40 -3.327 -5.607 5.002 295 HA CYS 40 HA CYS 40 -4.887 -6.690 2.845 296 HB2 CYS 40 HB2 CYS 40 -4.534 -7.340 5.753 297 HB3 CYS 40 HB3 CYS 40 -5.913 -7.976 4.879 298 H GLY 41 H GLY 41 -7.270 -6.628 2.838 299 HA2 GLY 41 HA2 GLY 41 -9.322 -5.831 3.602 300 HA3 GLY 41 HA3 GLY 41 -8.510 -4.644 4.603 301 H CYS 42 H CYS 42 -10.200 -3.191 3.542 302 HA CYS 42 HA CYS 42 -8.947 -1.958 1.242 303 HB2 CYS 42 HB2 CYS 42 -10.493 -3.423 0.153 304 HB3 CYS 42 HB3 CYS 42 -11.793 -2.968 1.236 305 HA PRO 43 HA PRO 43 -10.377 0.821 4.677 306 HB2 PRO 43 HB2 PRO 43 -8.047 2.253 4.708 307 HB3 PRO 43 HB3 PRO 43 -8.225 0.683 5.577 308 HG2 PRO 43 HG2 PRO 43 -7.042 1.244 2.877 309 HG3 PRO 43 HG3 PRO 43 -6.385 0.249 4.230 310 HD2 PRO 43 HD2 PRO 43 -7.663 -0.846 2.134 311 HD3 PRO 43 HD3 PRO 43 -7.831 -1.491 3.810 312 H LYS 44 H LYS 44 -10.089 3.414 4.657 313 HA LYS 44 HA LYS 44 -10.592 4.229 1.879 314 HB2 LYS 44 HB2 LYS 44 -11.933 4.992 4.466 315 HB3 LYS 44 HB3 LYS 44 -11.958 6.084 3.096 316 HG2 LYS 44 HG2 LYS 44 -12.739 3.167 2.751 317 HG3 LYS 44 HG3 LYS 44 -13.900 4.329 3.362 318 HD2 LYS 44 HD2 LYS 44 -12.347 4.808 0.784 319 HD3 LYS 44 HD3 LYS 44 -13.865 3.932 0.801 320 HE2 LYS 44 HE2 LYS 44 -14.661 6.089 0.425 321 HE3 LYS 44 HE3 LYS 44 -14.729 6.053 2.175 322 HZ1 LYS 44 HZ1 LYS 44 -13.095 7.530 2.312 323 HZ2 LYS 44 HZ2 LYS 44 -12.191 6.846 1.136 324 HZ3 LYS 44 HZ3 LYS 44 -13.404 7.867 0.744 325 H VAL 45 H VAL 45 -9.556 6.068 1.091 326 HA VAL 45 HA VAL 45 -7.548 7.183 2.924 327 HB VAL 45 HB VAL 45 -6.134 7.512 1.014 328 HG11 VAL 45 HG11 VAL 45 -5.681 5.184 0.383 329 HG12 VAL 45 HG12 VAL 45 -6.041 5.320 2.121 330 HG13 VAL 45 HG13 VAL 45 -7.277 4.698 1.002 331 HG21 VAL 45 HG21 VAL 45 -6.933 6.406 -1.214 332 HG22 VAL 45 HG22 VAL 45 -8.564 6.661 -0.547 333 HG23 VAL 45 HG23 VAL 45 -7.480 8.050 -0.803 334 H LYS 46 H LYS 46 -6.932 9.502 2.389 335 HA LYS 46 HA LYS 46 -9.391 10.978 2.030 336 HB2 LYS 46 HB2 LYS 46 -6.684 12.174 2.597 337 HB3 LYS 46 HB3 LYS 46 -8.271 12.787 3.020 338 HG2 LYS 46 HG2 LYS 46 -8.569 10.742 4.525 339 HG3 LYS 46 HG3 LYS 46 -6.896 10.333 4.205 340 HD2 LYS 46 HD2 LYS 46 -7.699 13.067 5.281 341 HD3 LYS 46 HD3 LYS 46 -7.393 11.711 6.347 342 HE2 LYS 46 HE2 LYS 46 -5.118 11.478 5.045 343 HE3 LYS 46 HE3 LYS 46 -5.444 13.104 4.476 344 HZ1 LYS 46 HZ1 LYS 46 -5.787 13.635 6.907 345 HZ2 LYS 46 HZ2 LYS 46 -5.058 12.211 7.232 346 HZ3 LYS 46 HZ3 LYS 46 -4.252 13.373 6.418 347 HA PRO 47 HA PRO 47 -8.979 12.579 -1.977 348 HB2 PRO 47 HB2 PRO 47 -8.525 15.295 -0.797 349 HB3 PRO 47 HB3 PRO 47 -9.763 14.747 -1.989 350 HG2 PRO 47 HG2 PRO 47 -10.428 15.196 0.532 351 HG3 PRO 47 HG3 PRO 47 -11.056 13.747 -0.338 352 HD2 PRO 47 HD2 PRO 47 -8.800 13.971 1.632 353 HD3 PRO 47 HD3 PRO 47 -10.113 12.739 1.525 354 H GLY 48 H GLY 48 -7.234 12.674 -3.450 355 HA2 GLY 48 HA2 GLY 48 -5.242 13.665 -4.225 356 HA3 GLY 48 HA3 GLY 48 -4.762 14.009 -2.575 357 H VAL 49 H VAL 49 -5.506 11.360 -1.476 358 HA VAL 49 HA VAL 49 -3.103 9.988 -2.248 359 HB VAL 49 HB VAL 49 -5.223 9.004 -0.352 360 HG11 VAL 49 HG11 VAL 49 -2.206 8.779 -0.181 361 HG12 VAL 49 HG12 VAL 49 -3.431 7.874 0.739 362 HG13 VAL 49 HG13 VAL 49 -3.230 7.579 -1.005 363 HG21 VAL 49 HG21 VAL 49 -3.650 11.463 -0.144 364 HG22 VAL 49 HG22 VAL 49 -5.027 10.897 0.832 365 HG23 VAL 49 HG23 VAL 49 -3.377 10.354 1.221 366 H ASN 50 H ASN 50 -2.990 7.838 -3.116 367 HA ASN 50 HA ASN 50 -5.312 7.274 -4.755 368 HB2 ASN 50 HB2 ASN 50 -2.370 6.489 -4.892 369 HB3 ASN 50 HB3 ASN 50 -3.562 5.615 -5.833 370 HD21 ASN 50 HD21 ASN 50 -1.710 8.470 -5.485 371 HD22 ASN 50 HD22 ASN 50 -2.236 9.319 -6.901 372 H LEU 51 H LEU 51 -6.306 5.151 -4.692 373 HA LEU 51 HA LEU 51 -5.176 3.208 -2.855 374 HB2 LEU 51 HB2 LEU 51 -6.520 4.458 -1.357 375 HB3 LEU 51 HB3 LEU 51 -7.856 4.532 -2.489 376 HG LEU 51 HG LEU 51 -8.277 2.146 -2.222 377 HD11 LEU 51 HD11 LEU 51 -5.625 2.187 -0.983 378 HD12 LEU 51 HD12 LEU 51 -6.834 1.283 -0.040 379 HD13 LEU 51 HD13 LEU 51 -6.525 0.850 -1.738 380 HD21 LEU 51 HD21 LEU 51 -9.585 2.613 -0.492 381 HD22 LEU 51 HD22 LEU 51 -8.192 2.675 0.615 382 HD23 LEU 51 HD23 LEU 51 -8.683 4.133 -0.280 383 H ASN 52 H ASN 52 -5.634 1.087 -3.451 384 HA ASN 52 HA ASN 52 -7.546 0.790 -5.614 385 HB2 ASN 52 HB2 ASN 52 -5.445 0.849 -6.809 386 HB3 ASN 52 HB3 ASN 52 -4.630 -0.106 -5.587 387 HD21 ASN 52 HD21 ASN 52 -7.092 -0.146 -8.104 388 HD22 ASN 52 HD22 ASN 52 -7.034 -1.839 -8.465 389 H CYS 53 H CYS 53 -8.957 -0.859 -5.007 390 HA CYS 53 HA CYS 53 -7.927 -2.817 -3.088 391 HB2 CYS 53 HB2 CYS 53 -10.780 -1.917 -3.542 392 HB3 CYS 53 HB3 CYS 53 -10.267 -3.147 -2.403 393 H CYS 54 H CYS 54 -8.357 -5.064 -3.519 394 HA CYS 54 HA CYS 54 -9.807 -5.711 -5.922 395 HB2 CYS 54 HB2 CYS 54 -7.784 -7.185 -6.631 396 HB3 CYS 54 HB3 CYS 54 -7.877 -5.503 -7.114 397 H ARG 55 H ARG 55 -9.990 -8.197 -6.077 398 HA ARG 55 HA ARG 55 -9.883 -9.250 -3.366 399 HB2 ARG 55 HB2 ARG 55 -11.744 -9.957 -5.691 400 HB3 ARG 55 HB3 ARG 55 -11.734 -10.811 -4.161 401 HG2 ARG 55 HG2 ARG 55 -12.688 -9.032 -2.990 402 HG3 ARG 55 HG3 ARG 55 -11.984 -7.817 -4.038 403 HD2 ARG 55 HD2 ARG 55 -14.342 -7.821 -4.528 404 HD3 ARG 55 HD3 ARG 55 -13.573 -8.619 -5.885 405 HE ARG 55 HE ARG 55 -14.248 -10.597 -3.922 406 HH11 ARG 55 HH22 ARG 55 -15.788 -8.450 -6.246 407 HH12 ARG 55 HH21 ARG 55 -17.168 -9.472 -6.470 408 HH21 ARG 55 HH12 ARG 55 -16.068 -11.947 -4.217 409 HH22 ARG 55 HH11 ARG 55 -17.328 -11.475 -5.308 410 H THR 56 H THR 56 -7.511 -9.386 -4.792 411 HA THR 56 HA THR 56 -7.379 -12.244 -5.445 412 HB THR 56 HB THR 56 -5.628 -11.339 -7.242 413 HG1 THR 56 HG1 THR 56 -6.589 -9.197 -7.967 414 HG21 THR 56 HG21 THR 56 -7.481 -11.000 -8.922 415 HG22 THR 56 HG22 THR 56 -7.712 -12.476 -7.955 416 HG23 THR 56 HG23 THR 56 -8.656 -11.013 -7.585 417 H ASP 57 H ASP 57 -5.486 -13.304 -4.836 418 HA ASP 57 HA ASP 57 -4.277 -12.287 -2.586 419 HB2 ASP 57 HB2 ASP 57 -3.227 -14.398 -4.530 420 HB3 ASP 57 HB3 ASP 57 -2.650 -14.172 -2.891 421 H ARG 58 H ARG 58 -2.230 -11.229 -2.263 422 HA ARG 58 HA ARG 58 -0.747 -9.717 -2.795 423 HB2 ARG 58 HB2 ARG 58 0.214 -11.627 -4.964 424 HB3 ARG 58 HB3 ARG 58 1.185 -10.614 -3.914 425 HG2 ARG 58 HG2 ARG 58 0.119 -12.033 -1.957 426 HG3 ARG 58 HG3 ARG 58 -0.292 -13.174 -3.222 427 HD2 ARG 58 HD2 ARG 58 2.002 -13.573 -3.781 428 HD3 ARG 58 HD3 ARG 58 2.547 -12.113 -2.980 429 HE ARG 58 HE ARG 58 1.241 -13.994 -1.155 430 HH11 ARG 58 HH22 ARG 58 4.285 -13.119 -2.688 431 HH12 ARG 58 HH21 ARG 58 5.261 -13.879 -1.475 432 HH21 ARG 58 HH12 ARG 58 2.528 -14.995 0.445 433 HH22 ARG 58 HH11 ARG 58 4.255 -14.953 0.319 434 H CYS 59 H CYS 59 -3.197 -9.204 -4.182 435 HA CYS 59 HA CYS 59 -2.510 -8.648 -6.921 436 HB2 CYS 59 HB2 CYS 59 -4.779 -7.966 -7.191 437 HB3 CYS 59 HB3 CYS 59 -4.746 -9.476 -6.304 438 H ASN 60 H ASN 60 -2.531 -7.123 -3.748 439 HA ASN 60 HA ASN 60 -2.436 -4.490 -4.912 440 HB2 ASN 60 HB2 ASN 60 -2.454 -3.704 -2.560 441 HB3 ASN 60 HB3 ASN 60 -3.733 -4.877 -2.804 442 HD21 ASN 60 HD21 ASN 60 -2.127 -4.004 -0.433 443 HD22 ASN 60 HD22 ASN 60 -1.513 -5.453 0.290 444 H ASN 61 H ASN 61 -0.279 -6.174 -5.708 445 HA ASN 61 HA ASN 61 1.898 -5.533 -3.925 446 HB2 ASN 61 HB2 ASN 61 3.097 -7.239 -5.013 447 HB3 ASN 61 HB3 ASN 61 1.458 -7.817 -5.238 448 HD21 ASN 61 HD21 ASN 61 4.338 -6.936 -6.713 449 HD22 ASN 61 HD22 ASN 61 3.836 -6.891 -8.370 Start of MODEL 17 1 H1 LEU 1 H1 LEU 1 -5.776 -15.065 2.974 2 H2 LEU 1 H2 LEU 1 -5.976 -16.179 1.765 3 H3 LEU 1 H3 LEU 1 -7.247 -15.226 2.231 4 HA LEU 1 HA LEU 1 -5.529 -14.793 0.217 5 HB2 LEU 1 HB2 LEU 1 -7.768 -14.036 0.178 6 HB3 LEU 1 HB3 LEU 1 -7.556 -13.067 1.623 7 HG LEU 1 HG LEU 1 -5.814 -11.747 0.188 8 HD11 LEU 1 HD11 LEU 1 -6.461 -11.680 -2.226 9 HD12 LEU 1 HD12 LEU 1 -5.668 -13.189 -1.715 10 HD13 LEU 1 HD13 LEU 1 -7.432 -13.147 -1.954 11 HD21 LEU 1 HD21 LEU 1 -7.832 -10.452 -0.854 12 HD22 LEU 1 HD22 LEU 1 -8.808 -11.585 0.112 13 HD23 LEU 1 HD23 LEU 1 -7.626 -10.522 0.913 14 H GLU 2 H GLU 2 -3.708 -13.568 -0.163 15 HA GLU 2 HA GLU 2 -2.595 -12.334 2.232 16 HB2 GLU 2 HB2 GLU 2 -1.115 -13.361 -0.229 17 HB3 GLU 2 HB3 GLU 2 -0.374 -12.731 1.229 18 HG2 GLU 2 HG2 GLU 2 -0.298 -15.104 1.488 19 HG3 GLU 2 HG3 GLU 2 -1.618 -14.586 2.518 20 H CYS 3 H CYS 3 -1.660 -10.221 2.090 21 HA CYS 3 HA CYS 3 -2.023 -8.879 -0.472 22 HB2 CYS 3 HB2 CYS 3 -2.903 -7.597 2.112 23 HB3 CYS 3 HB3 CYS 3 -3.132 -7.008 0.478 24 H HIS 4 H HIS 4 -0.350 -7.388 -0.895 25 HA HIS 4 HA HIS 4 2.001 -7.676 0.555 26 HB2 HIS 4 HB2 HIS 4 1.039 -5.837 -1.610 27 HB3 HIS 4 HB3 HIS 4 2.560 -5.484 -0.813 28 HD1 HIS 4 HD1 HIS 4 4.586 -6.977 -1.361 29 HD2 HIS 4 HD2 HIS 4 1.013 -8.276 -3.134 30 HE1 HIS 4 HE1 HIS 4 5.238 -8.777 -3.047 31 HE2 HIS 4 HE2 HIS 4 2.997 -9.575 -4.065 32 H ASN 5 H ASN 5 3.135 -6.241 1.978 33 HA ASN 5 HA ASN 5 1.423 -4.179 3.117 34 HB2 ASN 5 HB2 ASN 5 1.971 -4.842 5.347 35 HB3 ASN 5 HB3 ASN 5 1.674 -6.362 4.528 36 HD21 ASN 5 HD21 ASN 5 3.647 -4.870 6.616 37 HD22 ASN 5 HD22 ASN 5 5.133 -5.731 6.387 38 H GLN 6 H GLN 6 3.899 -4.523 1.175 39 HA GLN 6 HA GLN 6 6.041 -3.366 2.617 40 HB2 GLN 6 HB2 GLN 6 7.006 -3.105 0.240 41 HB3 GLN 6 HB3 GLN 6 6.675 -4.736 0.788 42 HG2 GLN 6 HG2 GLN 6 4.857 -5.009 -0.646 43 HG3 GLN 6 HG3 GLN 6 4.433 -3.309 -0.615 44 HE21 GLN 6 HE21 GLN 6 5.491 -5.671 -2.538 45 HE22 GLN 6 HE22 GLN 6 6.435 -4.802 -3.702 46 H GLN 7 H GLN 7 6.853 -1.202 2.492 47 HA GLN 7 HA GLN 7 4.818 0.670 1.582 48 HB2 GLN 7 HB2 GLN 7 5.138 1.115 3.858 49 HB3 GLN 7 HB3 GLN 7 6.843 0.710 3.813 50 HG2 GLN 7 HG2 GLN 7 7.297 2.786 2.484 51 HG3 GLN 7 HG3 GLN 7 5.593 3.191 2.538 52 HE21 GLN 7 HE21 GLN 7 6.536 5.161 3.494 53 HE22 GLN 7 HE22 GLN 7 6.767 5.236 5.209 54 H SER 8 H SER 8 5.638 2.776 0.637 55 HA SER 8 HA SER 8 6.590 3.568 -1.200 56 HB2 SER 8 HB2 SER 8 9.138 3.168 0.422 57 HB3 SER 8 HB3 SER 8 8.817 4.437 -0.743 58 HG SER 8 HG SER 8 7.729 5.567 0.732 59 H SER 9 H SER 9 9.765 2.785 -1.347 60 HA SER 9 HA SER 9 9.231 0.730 -3.301 61 HB2 SER 9 HB2 SER 9 11.835 2.200 -2.699 62 HB3 SER 9 HB3 SER 9 11.520 1.186 -4.093 63 HG SER 9 HG SER 9 11.291 3.565 -4.427 64 H GLN 10 H GLN 10 9.789 0.825 -0.038 65 HA GLN 10 HA GLN 10 11.918 -0.675 0.554 66 HB2 GLN 10 HB2 GLN 10 9.185 -1.166 1.802 67 HB3 GLN 10 HB3 GLN 10 10.749 -1.354 2.568 68 HG2 GLN 10 HG2 GLN 10 10.983 1.246 1.842 69 HG3 GLN 10 HG3 GLN 10 9.235 1.166 1.928 70 HE21 GLN 10 HE21 GLN 10 10.744 2.752 3.604 71 HE22 GLN 10 HE22 GLN 10 10.633 2.185 5.237 72 HA PRO 11 HA PRO 11 11.738 -4.827 -0.769 73 HB2 PRO 11 HB2 PRO 11 11.393 -5.682 2.082 74 HB3 PRO 11 HB3 PRO 11 12.640 -6.171 0.874 75 HG2 PRO 11 HG2 PRO 11 13.241 -4.481 2.819 76 HG3 PRO 11 HG3 PRO 11 13.818 -4.185 1.136 77 HD2 PRO 11 HD2 PRO 11 11.511 -2.955 2.613 78 HD3 PRO 11 HD3 PRO 11 12.758 -2.171 1.573 79 HA PRO 12 HA PRO 12 7.326 -5.514 -1.106 80 HB2 PRO 12 HB2 PRO 12 8.397 -7.986 -2.417 81 HB3 PRO 12 HB3 PRO 12 7.192 -6.789 -3.023 82 HG2 PRO 12 HG2 PRO 12 9.667 -6.795 -3.956 83 HG3 PRO 12 HG3 PRO 12 8.843 -5.242 -3.553 84 HD2 PRO 12 HD2 PRO 12 10.873 -6.799 -1.979 85 HD3 PRO 12 HD3 PRO 12 10.779 -5.026 -2.296 86 H THR 13 H THR 13 6.035 -6.446 0.512 87 HA THR 13 HA THR 13 6.835 -9.084 1.522 88 HB THR 13 HB THR 13 6.072 -8.051 3.828 89 HG1 THR 13 HG1 THR 13 5.347 -6.059 2.660 90 HG21 THR 13 HG21 THR 13 8.660 -7.175 2.444 91 HG22 THR 13 HG22 THR 13 8.342 -6.970 4.184 92 HG23 THR 13 HG23 THR 13 8.449 -8.604 3.485 93 H THR 14 H THR 14 4.938 -9.921 3.029 94 HA THR 14 HA THR 14 2.355 -9.074 1.988 95 HB THR 14 HB THR 14 1.954 -11.642 1.527 96 HG1 THR 14 HG1 THR 14 4.389 -12.178 0.681 97 HG21 THR 14 HG21 THR 14 2.019 -10.114 -0.387 98 HG22 THR 14 HG22 THR 14 3.781 -9.922 -0.226 99 HG23 THR 14 HG23 THR 14 3.101 -11.480 -0.751 100 H LYS 15 H LYS 15 0.537 -9.971 3.213 101 HA LYS 15 HA LYS 15 1.253 -11.249 5.708 102 HB2 LYS 15 HB2 LYS 15 0.281 -9.552 7.121 103 HB3 LYS 15 HB3 LYS 15 1.575 -8.846 6.173 104 HG2 LYS 15 HG2 LYS 15 0.009 -7.795 4.645 105 HG3 LYS 15 HG3 LYS 15 -1.339 -8.714 5.286 106 HD2 LYS 15 HD2 LYS 15 -0.976 -6.219 6.074 107 HD3 LYS 15 HD3 LYS 15 -1.481 -7.426 7.239 108 HE2 LYS 15 HE2 LYS 15 0.753 -7.661 8.125 109 HE3 LYS 15 HE3 LYS 15 1.464 -6.809 6.770 110 HZ1 LYS 15 HZ1 LYS 15 0.009 -5.735 9.031 111 HZ2 LYS 15 HZ2 LYS 15 1.352 -5.167 8.296 112 HZ3 LYS 15 HZ3 LYS 15 -0.113 -4.938 7.611 113 H THR 16 H THR 16 -0.565 -12.272 6.731 114 HA THR 16 HA THR 16 -2.601 -12.980 4.831 115 HB THR 16 HB THR 16 -2.459 -13.771 7.769 116 HG1 THR 16 HG1 THR 16 -0.389 -14.328 7.156 117 HG21 THR 16 HG21 THR 16 -4.190 -15.038 6.832 118 HG22 THR 16 HG22 THR 16 -3.518 -14.919 5.188 119 HG23 THR 16 HG23 THR 16 -2.809 -16.056 6.359 120 H CYS 17 H CYS 17 -4.580 -12.146 4.574 121 HA CYS 17 HA CYS 17 -5.287 -9.916 6.212 122 HB2 CYS 17 HB2 CYS 17 -7.075 -11.181 4.152 123 HB3 CYS 17 HB3 CYS 17 -7.016 -9.512 4.684 124 H SER 18 H SER 18 -6.476 -10.057 8.086 125 HA SER 18 HA SER 18 -7.804 -12.595 8.566 126 HB2 SER 18 HB2 SER 18 -6.198 -12.004 10.283 127 HB3 SER 18 HB3 SER 18 -6.850 -10.385 10.429 128 HG SER 18 HG SER 18 -8.312 -11.104 11.813 129 H GLY 19 H GLY 19 -9.996 -12.648 8.250 130 HA2 GLY 19 HA2 GLY 19 -12.167 -12.013 8.458 131 HA3 GLY 19 HA3 GLY 19 -11.668 -10.525 9.236 132 H GLU 20 H GLU 20 -9.682 -10.398 6.682 133 HA GLU 20 HA GLU 20 -11.674 -8.989 5.101 134 HB2 GLU 20 HB2 GLU 20 -8.666 -8.704 4.807 135 HB3 GLU 20 HB3 GLU 20 -9.914 -7.577 4.313 136 HG2 GLU 20 HG2 GLU 20 -10.388 -6.923 6.568 137 HG3 GLU 20 HG3 GLU 20 -9.577 -8.324 7.240 138 H THR 21 H THR 21 -11.403 -9.069 2.670 139 HA THR 21 HA THR 21 -10.051 -11.493 1.745 140 HB THR 21 HB THR 21 -12.247 -11.928 0.405 141 HG1 THR 21 HG1 THR 21 -13.157 -9.812 0.976 142 HG21 THR 21 HG21 THR 21 -13.445 -12.923 2.418 143 HG22 THR 21 HG22 THR 21 -11.739 -13.415 2.298 144 HG23 THR 21 HG23 THR 21 -12.222 -12.156 3.459 145 H ASN 22 H ASN 22 -9.866 -8.371 1.644 146 HA ASN 22 HA ASN 22 -9.501 -8.372 -1.239 147 HB2 ASN 22 HB2 ASN 22 -10.657 -6.087 0.446 148 HB3 ASN 22 HB3 ASN 22 -10.227 -5.941 -1.247 149 HD21 ASN 22 HD21 ASN 22 -12.344 -7.489 1.078 150 HD22 ASN 22 HD22 ASN 22 -13.613 -7.942 -0.011 151 H CYS 23 H CYS 23 -7.774 -6.782 -1.919 152 HA CYS 23 HA CYS 23 -5.997 -6.152 0.326 153 HB2 CYS 23 HB2 CYS 23 -5.176 -6.767 -2.518 154 HB3 CYS 23 HB3 CYS 23 -4.114 -6.458 -1.159 155 H TYR 24 H TYR 24 -5.232 -4.011 0.436 156 HA TYR 24 HA TYR 24 -6.251 -2.223 -1.668 157 HB2 TYR 24 HB2 TYR 24 -6.584 -0.647 0.154 158 HB3 TYR 24 HB3 TYR 24 -7.118 -2.180 0.814 159 HD1 TYR 24 HD1 TYR 24 -4.415 0.336 0.851 160 HD2 TYR 24 HD2 TYR 24 -5.904 -3.272 2.603 161 HE1 TYR 24 HE1 TYR 24 -2.774 0.585 2.777 162 HE2 TYR 24 HE2 TYR 24 -4.258 -3.010 4.523 163 HH TYR 24 HH TYR 24 -3.044 -1.221 5.619 164 H LYS 25 H LYS 25 -4.915 -0.394 -2.269 165 HA LYS 25 HA LYS 25 -2.138 -0.588 -1.380 166 HB2 LYS 25 HB2 LYS 25 -2.007 -1.845 -3.359 167 HB3 LYS 25 HB3 LYS 25 -3.141 -0.818 -4.212 168 HG2 LYS 25 HG2 LYS 25 -1.547 0.974 -4.406 169 HG3 LYS 25 HG3 LYS 25 -0.488 0.274 -3.197 170 HD2 LYS 25 HD2 LYS 25 0.176 -1.524 -4.671 171 HD3 LYS 25 HD3 LYS 25 -1.114 -1.172 -5.804 172 HE2 LYS 25 HE2 LYS 25 1.022 -0.309 -6.679 173 HE3 LYS 25 HE3 LYS 25 -0.061 1.027 -6.340 174 HZ1 LYS 25 HZ1 LYS 25 1.707 1.765 -5.225 175 HZ2 LYS 25 HZ2 LYS 25 1.186 0.789 -4.024 176 HZ3 LYS 25 HZ3 LYS 25 2.379 0.290 -5.021 177 H LYS 26 H LYS 26 -1.590 1.349 -0.552 178 HA LYS 26 HA LYS 26 -2.958 3.692 -1.674 179 HB2 LYS 26 HB2 LYS 26 -1.629 3.677 1.021 180 HB3 LYS 26 HB3 LYS 26 -2.928 4.691 0.427 181 HG2 LYS 26 HG2 LYS 26 -4.360 2.542 0.283 182 HG3 LYS 26 HG3 LYS 26 -3.086 1.741 1.180 183 HD2 LYS 26 HD2 LYS 26 -4.823 4.070 2.091 184 HD3 LYS 26 HD3 LYS 26 -4.709 2.474 2.807 185 HE2 LYS 26 HE2 LYS 26 -2.365 4.429 2.692 186 HE3 LYS 26 HE3 LYS 26 -3.454 4.312 4.060 187 HZ1 LYS 26 HZ1 LYS 26 -1.734 2.177 3.011 188 HZ2 LYS 26 HZ2 LYS 26 -1.596 2.936 4.451 189 HZ3 LYS 26 HZ3 LYS 26 -2.859 1.939 4.171 190 H TRP 27 H TRP 27 -1.746 5.467 -2.368 191 HA TRP 27 HA TRP 27 1.076 5.546 -1.910 192 HB2 TRP 27 HB2 TRP 27 1.852 5.234 -4.120 193 HB3 TRP 27 HB3 TRP 27 0.903 3.824 -3.691 194 HD1 TRP 27 HD1 TRP 27 0.958 6.713 -6.180 195 HE1 TRP 27 HE1 TRP 27 -0.912 6.455 -8.025 196 HE3 TRP 27 HE3 TRP 27 -1.472 2.854 -3.929 197 HZ2 TRP 27 HZ2 TRP 27 -3.146 4.706 -8.329 198 HZ3 TRP 27 HZ3 TRP 27 -3.488 1.930 -5.066 199 HH2 TRP 27 HH2 TRP 27 -4.332 2.794 -7.191 200 H TRP 28 H TRP 28 1.865 7.666 -2.350 201 HA TRP 28 HA TRP 28 0.253 9.504 -3.839 202 HB2 TRP 28 HB2 TRP 28 -0.259 11.028 -2.053 203 HB3 TRP 28 HB3 TRP 28 -1.008 9.473 -1.753 204 HD1 TRP 28 HD1 TRP 28 1.456 11.906 -0.203 205 HE1 TRP 28 HE1 TRP 28 2.293 11.099 2.166 206 HE3 TRP 28 HE3 TRP 28 -0.496 7.221 -0.526 207 HZ2 TRP 28 HZ2 TRP 28 2.051 8.647 3.606 208 HZ3 TRP 28 HZ3 TRP 28 -0.150 5.684 1.405 209 HH2 TRP 28 HH2 TRP 28 1.073 6.330 3.421 210 H SER 29 H SER 29 1.380 11.796 -3.598 211 HA SER 29 HA SER 29 4.231 11.226 -3.550 212 HB2 SER 29 HB2 SER 29 3.770 12.089 -5.671 213 HB3 SER 29 HB3 SER 29 2.491 13.137 -5.091 214 HG SER 29 HG SER 29 5.209 13.650 -5.374 215 H ASP 30 H ASP 30 5.693 12.883 -2.593 216 HA ASP 30 HA ASP 30 4.372 14.779 -0.870 217 HB2 ASP 30 HB2 ASP 30 4.915 12.448 0.289 218 HB3 ASP 30 HB3 ASP 30 6.565 13.039 0.292 219 H HIS 31 H HIS 31 6.185 16.232 0.207 220 HA HIS 31 HA HIS 31 7.916 17.076 -1.841 221 HB2 HIS 31 HB2 HIS 31 7.992 17.846 1.086 222 HB3 HIS 31 HB3 HIS 31 8.643 18.754 -0.264 223 HD1 HIS 31 HD1 HIS 31 7.043 20.267 -1.576 224 HD2 HIS 31 HD2 HIS 31 5.106 17.855 1.257 225 HE1 HIS 31 HE1 HIS 31 4.644 21.125 -1.427 226 HE2 HIS 31 HE2 HIS 31 3.489 19.569 0.288 227 H ARG 32 H ARG 32 8.096 14.472 0.342 228 HA ARG 32 HA ARG 32 10.990 14.607 0.393 229 HB2 ARG 32 HB2 ARG 32 9.010 12.826 1.899 230 HB3 ARG 32 HB3 ARG 32 10.749 12.659 2.031 231 HG2 ARG 32 HG2 ARG 32 9.353 15.311 2.574 232 HG3 ARG 32 HG3 ARG 32 9.545 14.101 3.827 233 HD2 ARG 32 HD2 ARG 32 11.928 14.258 3.794 234 HD3 ARG 32 HD3 ARG 32 11.952 15.005 2.209 235 HE ARG 32 HE ARG 32 10.488 16.733 3.929 236 HH11 ARG 32 HH22 ARG 32 13.774 15.530 3.563 237 HH12 ARG 32 HH21 ARG 32 14.503 16.933 4.271 238 HH21 ARG 32 HH12 ARG 32 11.448 18.584 4.863 239 HH22 ARG 32 HH11 ARG 32 13.171 18.682 5.015 240 H GLY 33 H GLY 33 8.200 12.894 -0.952 241 HA2 GLY 33 HA2 GLY 33 9.310 11.783 -3.112 242 HA3 GLY 33 HA3 GLY 33 9.768 10.630 -1.876 243 H THR 34 H THR 34 8.295 9.335 -3.520 244 HA THR 34 HA THR 34 5.463 9.745 -3.039 245 HB THR 34 HB THR 34 7.170 7.931 -4.802 246 HG1 THR 34 HG1 THR 34 6.351 9.414 -6.298 247 HG21 THR 34 HG21 THR 34 4.347 7.589 -3.936 248 HG22 THR 34 HG22 THR 34 4.540 7.728 -5.700 249 HG23 THR 34 HG23 THR 34 5.404 6.453 -4.808 250 H ILE 35 H ILE 35 4.523 9.034 -1.238 251 HA ILE 35 HA ILE 35 5.764 6.828 0.174 252 HB ILE 35 HB ILE 35 3.455 8.641 0.883 253 HG12 ILE 35 HG12 ILE 35 6.399 8.697 1.563 254 HG13 ILE 35 HG13 ILE 35 5.433 9.950 0.810 255 HG21 ILE 35 HG21 ILE 35 3.773 7.741 3.180 256 HG22 ILE 35 HG22 ILE 35 3.172 6.538 2.013 257 HG23 ILE 35 HG23 ILE 35 4.882 6.521 2.509 258 HD11 ILE 35 HD11 ILE 35 4.046 10.051 2.955 259 HD12 ILE 35 HD12 ILE 35 5.256 8.972 3.691 260 HD13 ILE 35 HD13 ILE 35 5.735 10.588 3.120 261 H ILE 36 H ILE 36 4.992 4.758 0.242 262 HA ILE 36 HA ILE 36 2.375 4.320 -1.013 263 HB ILE 36 HB ILE 36 4.762 2.513 -1.357 264 HG12 ILE 36 HG12 ILE 36 3.755 4.663 -3.245 265 HG13 ILE 36 HG13 ILE 36 5.270 4.693 -2.363 266 HG21 ILE 36 HG21 ILE 36 3.371 1.114 -2.378 267 HG22 ILE 36 HG22 ILE 36 2.027 2.114 -1.777 268 HG23 ILE 36 HG23 ILE 36 2.705 2.415 -3.395 269 HD11 ILE 36 HD11 ILE 36 5.894 2.504 -3.515 270 HD12 ILE 36 HD12 ILE 36 4.444 2.709 -4.526 271 HD13 ILE 36 HD13 ILE 36 5.757 3.909 -4.600 272 H GLU 37 H GLU 37 0.967 3.305 0.310 273 HA GLU 37 HA GLU 37 2.126 1.583 2.348 274 HB2 GLU 37 HB2 GLU 37 1.400 3.948 3.177 275 HB3 GLU 37 HB3 GLU 37 -0.244 3.389 2.939 276 HG2 GLU 37 HG2 GLU 37 1.842 2.354 4.879 277 HG3 GLU 37 HG3 GLU 37 0.198 2.864 5.210 278 H ARG 38 H ARG 38 1.355 -0.451 2.005 279 HA ARG 38 HA ARG 38 -1.416 -0.625 1.136 280 HB2 ARG 38 HB2 ARG 38 0.679 -2.685 0.346 281 HB3 ARG 38 HB3 ARG 38 -0.887 -2.399 -0.388 282 HG2 ARG 38 HG2 ARG 38 0.001 -0.054 -1.035 283 HG3 ARG 38 HG3 ARG 38 1.587 -0.627 -0.560 284 HD2 ARG 38 HD2 ARG 38 -0.175 -2.020 -2.634 285 HD3 ARG 38 HD3 ARG 38 1.095 -0.883 -3.038 286 HE ARG 38 HE ARG 38 1.780 -3.279 -1.390 287 HH11 ARG 38 HH22 ARG 38 2.080 -1.476 -4.397 288 HH12 ARG 38 HH21 ARG 38 3.407 -2.423 -4.982 289 HH21 ARG 38 HH12 ARG 38 3.531 -4.529 -2.161 290 HH22 ARG 38 HH11 ARG 38 4.238 -4.172 -3.702 291 H GLY 39 H GLY 39 -2.437 -2.816 1.712 292 HA2 GLY 39 HA2 GLY 39 -1.171 -4.535 3.581 293 HA3 GLY 39 HA3 GLY 39 -2.189 -3.377 4.414 294 H CYS 40 H CYS 40 -3.334 -5.511 4.989 295 HA CYS 40 HA CYS 40 -4.875 -6.640 2.838 296 HB2 CYS 40 HB2 CYS 40 -4.509 -7.260 5.750 297 HB3 CYS 40 HB3 CYS 40 -5.886 -7.917 4.887 298 H GLY 41 H GLY 41 -7.256 -6.600 2.822 299 HA2 GLY 41 HA2 GLY 41 -9.319 -5.821 3.563 300 HA3 GLY 41 HA3 GLY 41 -8.528 -4.632 4.579 301 H CYS 42 H CYS 42 -10.245 -3.211 3.493 302 HA CYS 42 HA CYS 42 -8.977 -1.949 1.213 303 HB2 CYS 42 HB2 CYS 42 -10.508 -3.415 0.109 304 HB3 CYS 42 HB3 CYS 42 -11.814 -2.982 1.194 305 HA PRO 43 HA PRO 43 -10.445 0.802 4.658 306 HB2 PRO 43 HB2 PRO 43 -8.116 2.234 4.729 307 HB3 PRO 43 HB3 PRO 43 -8.304 0.659 5.585 308 HG2 PRO 43 HG2 PRO 43 -7.088 1.238 2.903 309 HG3 PRO 43 HG3 PRO 43 -6.448 0.234 4.258 310 HD2 PRO 43 HD2 PRO 43 -7.698 -0.846 2.139 311 HD3 PRO 43 HD3 PRO 43 -7.887 -1.504 3.807 312 H LYS 44 H LYS 44 -10.159 3.395 4.660 313 HA LYS 44 HA LYS 44 -10.637 4.227 1.882 314 HB2 LYS 44 HB2 LYS 44 -12.098 5.996 2.906 315 HB3 LYS 44 HB3 LYS 44 -12.696 4.356 3.054 316 HG2 LYS 44 HG2 LYS 44 -12.046 4.209 5.370 317 HG3 LYS 44 HG3 LYS 44 -11.035 5.637 5.260 318 HD2 LYS 44 HD2 LYS 44 -14.081 5.575 5.039 319 HD3 LYS 44 HD3 LYS 44 -13.161 6.170 6.406 320 HE2 LYS 44 HE2 LYS 44 -12.029 7.753 4.580 321 HE3 LYS 44 HE3 LYS 44 -13.477 7.398 3.658 322 HZ1 LYS 44 HZ1 LYS 44 -13.666 8.271 6.440 323 HZ2 LYS 44 HZ2 LYS 44 -13.512 9.359 5.231 324 HZ3 LYS 44 HZ3 LYS 44 -14.800 8.355 5.267 325 H VAL 45 H VAL 45 -9.611 6.088 1.116 326 HA VAL 45 HA VAL 45 -7.590 7.171 2.956 327 HB VAL 45 HB VAL 45 -6.180 7.517 1.045 328 HG11 VAL 45 HG11 VAL 45 -6.465 5.186 2.188 329 HG12 VAL 45 HG12 VAL 45 -7.185 4.710 0.632 330 HG13 VAL 45 HG13 VAL 45 -5.514 5.319 0.690 331 HG21 VAL 45 HG21 VAL 45 -7.502 8.078 -0.772 332 HG22 VAL 45 HG22 VAL 45 -7.008 6.420 -1.190 333 HG23 VAL 45 HG23 VAL 45 -8.626 6.722 -0.512 334 H LYS 46 H LYS 46 -6.984 9.492 2.487 335 HA LYS 46 HA LYS 46 -9.438 10.976 2.108 336 HB2 LYS 46 HB2 LYS 46 -6.751 12.166 2.770 337 HB3 LYS 46 HB3 LYS 46 -8.350 12.757 3.175 338 HG2 LYS 46 HG2 LYS 46 -8.629 10.575 4.563 339 HG3 LYS 46 HG3 LYS 46 -6.902 10.353 4.360 340 HD2 LYS 46 HD2 LYS 46 -6.979 11.532 6.386 341 HD3 LYS 46 HD3 LYS 46 -6.717 12.833 5.242 342 HE2 LYS 46 HE2 LYS 46 -8.507 13.702 6.470 343 HE3 LYS 46 HE3 LYS 46 -9.370 12.932 5.154 344 HZ1 LYS 46 HZ1 LYS 46 -10.241 11.470 6.546 345 HZ2 LYS 46 HZ2 LYS 46 -8.826 11.147 7.294 346 HZ3 LYS 46 HZ3 LYS 46 -9.728 12.423 7.769 347 HA PRO 47 HA PRO 47 -8.912 12.707 -1.834 348 HB2 PRO 47 HB2 PRO 47 -8.413 15.376 -0.567 349 HB3 PRO 47 HB3 PRO 47 -9.642 14.894 -1.796 350 HG2 PRO 47 HG2 PRO 47 -10.342 15.286 0.725 351 HG3 PRO 47 HG3 PRO 47 -10.989 13.878 -0.197 352 HD2 PRO 47 HD2 PRO 47 -8.764 13.989 1.817 353 HD3 PRO 47 HD3 PRO 47 -10.105 12.795 1.651 354 H GLY 48 H GLY 48 -7.132 12.765 -3.260 355 HA2 GLY 48 HA2 GLY 48 -5.103 13.733 -3.978 356 HA3 GLY 48 HA3 GLY 48 -4.647 14.028 -2.312 357 H VAL 49 H VAL 49 -5.474 11.377 -1.286 358 HA VAL 49 HA VAL 49 -3.097 9.958 -2.065 359 HB VAL 49 HB VAL 49 -5.228 8.969 -0.192 360 HG11 VAL 49 HG11 VAL 49 -3.464 7.405 -0.570 361 HG12 VAL 49 HG12 VAL 49 -2.218 8.661 -0.377 362 HG13 VAL 49 HG13 VAL 49 -3.175 8.134 1.028 363 HG21 VAL 49 HG21 VAL 49 -3.425 10.320 1.422 364 HG22 VAL 49 HG22 VAL 49 -3.676 11.441 0.062 365 HG23 VAL 49 HG23 VAL 49 -5.069 10.859 1.005 366 H ASN 50 H ASN 50 -3.024 7.857 -3.014 367 HA ASN 50 HA ASN 50 -5.389 7.347 -4.610 368 HB2 ASN 50 HB2 ASN 50 -2.450 6.583 -4.851 369 HB3 ASN 50 HB3 ASN 50 -3.660 5.708 -5.768 370 HD21 ASN 50 HD21 ASN 50 -1.839 8.586 -5.430 371 HD22 ASN 50 HD22 ASN 50 -2.417 9.447 -6.817 372 H LEU 51 H LEU 51 -6.419 5.255 -4.540 373 HA LEU 51 HA LEU 51 -5.239 3.264 -2.772 374 HB2 LEU 51 HB2 LEU 51 -6.601 4.464 -1.254 375 HB3 LEU 51 HB3 LEU 51 -7.931 4.557 -2.390 376 HG LEU 51 HG LEU 51 -8.373 2.186 -2.169 377 HD11 LEU 51 HD11 LEU 51 -5.674 2.109 -1.148 378 HD12 LEU 51 HD12 LEU 51 -6.797 1.333 -0.006 379 HD13 LEU 51 HD13 LEU 51 -6.723 0.780 -1.696 380 HD21 LEU 51 HD21 LEU 51 -8.117 2.767 0.698 381 HD22 LEU 51 HD22 LEU 51 -8.855 4.082 -0.248 382 HD23 LEU 51 HD23 LEU 51 -9.562 2.449 -0.292 383 H ASN 52 H ASN 52 -5.689 1.144 -3.395 384 HA ASN 52 HA ASN 52 -7.583 0.865 -5.573 385 HB2 ASN 52 HB2 ASN 52 -5.622 0.861 -6.884 386 HB3 ASN 52 HB3 ASN 52 -4.633 0.212 -5.592 387 HD21 ASN 52 HD21 ASN 52 -6.682 -0.456 -8.266 388 HD22 ASN 52 HD22 ASN 52 -6.541 -2.182 -8.296 389 H CYS 53 H CYS 53 -8.985 -0.797 -4.979 390 HA CYS 53 HA CYS 53 -7.941 -2.771 -3.086 391 HB2 CYS 53 HB2 CYS 53 -10.812 -1.951 -3.575 392 HB3 CYS 53 HB3 CYS 53 -10.264 -3.141 -2.412 393 H CYS 54 H CYS 54 -8.371 -5.026 -3.533 394 HA CYS 54 HA CYS 54 -9.762 -5.668 -5.967 395 HB2 CYS 54 HB2 CYS 54 -7.708 -7.099 -6.673 396 HB3 CYS 54 HB3 CYS 54 -7.819 -5.411 -7.133 397 H ARG 55 H ARG 55 -9.920 -8.149 -6.146 398 HA ARG 55 HA ARG 55 -9.815 -9.232 -3.448 399 HB2 ARG 55 HB2 ARG 55 -11.643 -9.940 -5.799 400 HB3 ARG 55 HB3 ARG 55 -11.634 -10.812 -4.279 401 HG2 ARG 55 HG2 ARG 55 -12.627 -9.064 -3.096 402 HG3 ARG 55 HG3 ARG 55 -11.931 -7.824 -4.121 403 HD2 ARG 55 HD2 ARG 55 -13.504 -8.413 -5.952 404 HD3 ARG 55 HD3 ARG 55 -14.161 -9.726 -4.995 405 HE ARG 55 HE ARG 55 -14.697 -6.859 -4.639 406 HH11 ARG 55 HH22 ARG 55 -14.809 -10.041 -3.141 407 HH12 ARG 55 HH21 ARG 55 -16.017 -9.595 -1.983 408 HH21 ARG 55 HH12 ARG 55 -16.291 -6.269 -3.112 409 HH22 ARG 55 HH11 ARG 55 -16.865 -7.434 -1.967 410 H THR 56 H THR 56 -7.430 -9.313 -4.862 411 HA THR 56 HA THR 56 -7.251 -12.161 -5.553 412 HB THR 56 HB THR 56 -5.479 -11.198 -7.301 413 HG1 THR 56 HG1 THR 56 -7.431 -9.101 -7.419 414 HG21 THR 56 HG21 THR 56 -7.309 -10.853 -9.007 415 HG22 THR 56 HG22 THR 56 -7.531 -12.353 -8.074 416 HG23 THR 56 HG23 THR 56 -8.505 -10.915 -7.690 417 H ASP 57 H ASP 57 -5.356 -13.211 -4.932 418 HA ASP 57 HA ASP 57 -4.197 -12.224 -2.643 419 HB2 ASP 57 HB2 ASP 57 -3.056 -14.273 -4.601 420 HB3 ASP 57 HB3 ASP 57 -2.564 -14.089 -2.929 421 H ARG 58 H ARG 58 -2.181 -11.133 -2.265 422 HA ARG 58 HA ARG 58 -0.710 -9.591 -2.746 423 HB2 ARG 58 HB2 ARG 58 0.330 -11.456 -4.916 424 HB3 ARG 58 HB3 ARG 58 1.260 -10.446 -3.827 425 HG2 ARG 58 HG2 ARG 58 0.170 -11.910 -1.919 426 HG3 ARG 58 HG3 ARG 58 -0.195 -13.037 -3.211 427 HD2 ARG 58 HD2 ARG 58 2.114 -13.399 -3.718 428 HD3 ARG 58 HD3 ARG 58 2.622 -11.941 -2.890 429 HE ARG 58 HE ARG 58 1.459 -13.414 -0.862 430 HH11 ARG 58 HH22 ARG 58 3.943 -14.126 -3.251 431 HH12 ARG 58 HH21 ARG 58 4.769 -15.266 -2.241 432 HH21 ARG 58 HH12 ARG 58 2.548 -14.917 0.471 433 HH22 ARG 58 HH11 ARG 58 3.970 -15.718 -0.109 434 H CYS 59 H CYS 59 -3.132 -9.085 -4.173 435 HA CYS 59 HA CYS 59 -2.400 -8.493 -6.893 436 HB2 CYS 59 HB2 CYS 59 -4.671 -7.827 -7.196 437 HB3 CYS 59 HB3 CYS 59 -4.638 -9.350 -6.331 438 H ASN 60 H ASN 60 -2.462 -7.012 -3.707 439 HA ASN 60 HA ASN 60 -2.394 -4.361 -4.834 440 HB2 ASN 60 HB2 ASN 60 -2.449 -3.604 -2.478 441 HB3 ASN 60 HB3 ASN 60 -3.697 -4.808 -2.734 442 HD21 ASN 60 HD21 ASN 60 -2.223 -3.946 -0.323 443 HD22 ASN 60 HD22 ASN 60 -1.538 -5.373 0.380 444 H ASN 61 H ASN 61 -0.213 -5.992 -5.650 445 HA ASN 61 HA ASN 61 1.946 -5.364 -3.841 446 HB2 ASN 61 HB2 ASN 61 3.186 -7.015 -4.981 447 HB3 ASN 61 HB3 ASN 61 1.557 -7.629 -5.182 448 HD21 ASN 61 HD21 ASN 61 4.202 -7.591 -6.765 449 HD22 ASN 61 HD22 ASN 61 3.731 -7.216 -8.389 Start of MODEL 18 1 H1 LEU 1 H1 LEU 1 -6.308 -16.159 1.611 2 H2 LEU 1 H2 LEU 1 -7.176 -15.012 2.431 3 H3 LEU 1 H3 LEU 1 -5.585 -15.272 2.807 4 HA LEU 1 HA LEU 1 -5.546 -14.782 0.181 5 HB2 LEU 1 HB2 LEU 1 -7.782 -14.011 0.145 6 HB3 LEU 1 HB3 LEU 1 -7.561 -13.044 1.591 7 HG LEU 1 HG LEU 1 -5.806 -11.742 0.147 8 HD11 LEU 1 HD11 LEU 1 -5.689 -13.172 -1.762 9 HD12 LEU 1 HD12 LEU 1 -7.455 -13.127 -1.980 10 HD13 LEU 1 HD13 LEU 1 -6.486 -11.661 -2.263 11 HD21 LEU 1 HD21 LEU 1 -7.616 -10.519 0.910 12 HD22 LEU 1 HD22 LEU 1 -7.792 -10.398 -0.857 13 HD23 LEU 1 HD23 LEU 1 -8.803 -11.540 0.061 14 H GLU 2 H GLU 2 -3.727 -13.547 -0.200 15 HA GLU 2 HA GLU 2 -2.603 -12.338 2.204 16 HB2 GLU 2 HB2 GLU 2 -1.106 -13.319 -0.264 17 HB3 GLU 2 HB3 GLU 2 -0.390 -12.761 1.235 18 HG2 GLU 2 HG2 GLU 2 -1.674 -14.651 2.421 19 HG3 GLU 2 HG3 GLU 2 -2.087 -15.263 0.832 20 H CYS 3 H CYS 3 -1.633 -10.234 2.062 21 HA CYS 3 HA CYS 3 -2.018 -8.872 -0.487 22 HB2 CYS 3 HB2 CYS 3 -2.847 -7.607 2.123 23 HB3 CYS 3 HB3 CYS 3 -3.081 -6.988 0.500 24 H HIS 4 H HIS 4 -0.330 -7.407 -0.931 25 HA HIS 4 HA HIS 4 2.027 -7.720 0.527 26 HB2 HIS 4 HB2 HIS 4 1.107 -5.954 -1.712 27 HB3 HIS 4 HB3 HIS 4 2.624 -5.583 -0.917 28 HD1 HIS 4 HD1 HIS 4 4.611 -7.245 -1.248 29 HD2 HIS 4 HD2 HIS 4 1.099 -8.320 -3.275 30 HE1 HIS 4 HE1 HIS 4 5.268 -9.083 -2.892 31 HE2 HIS 4 HE2 HIS 4 3.060 -9.741 -4.069 32 H ASN 5 H ASN 5 3.065 -6.446 2.078 33 HA ASN 5 HA ASN 5 1.403 -4.281 3.109 34 HB2 ASN 5 HB2 ASN 5 2.037 -4.877 5.341 35 HB3 ASN 5 HB3 ASN 5 1.722 -6.417 4.566 36 HD21 ASN 5 HD21 ASN 5 3.146 -7.914 4.958 37 HD22 ASN 5 HD22 ASN 5 4.840 -7.711 5.255 38 H GLN 6 H GLN 6 3.957 -4.774 1.194 39 HA GLN 6 HA GLN 6 6.079 -3.526 2.515 40 HB2 GLN 6 HB2 GLN 6 6.849 -3.169 0.024 41 HB3 GLN 6 HB3 GLN 6 6.753 -4.794 0.673 42 HG2 GLN 6 HG2 GLN 6 4.859 -5.340 -0.572 43 HG3 GLN 6 HG3 GLN 6 4.252 -3.696 -0.582 44 HE21 GLN 6 HE21 GLN 6 5.353 -6.025 -2.498 45 HE22 GLN 6 HE22 GLN 6 6.106 -5.132 -3.777 46 H GLN 7 H GLN 7 6.838 -1.358 2.459 47 HA GLN 7 HA GLN 7 4.784 0.515 1.592 48 HB2 GLN 7 HB2 GLN 7 5.695 2.072 3.241 49 HB3 GLN 7 HB3 GLN 7 5.357 0.539 4.019 50 HG2 GLN 7 HG2 GLN 7 7.910 0.026 3.354 51 HG3 GLN 7 HG3 GLN 7 8.024 1.774 3.333 52 HE21 GLN 7 HE21 GLN 7 8.353 -0.910 5.186 53 HE22 GLN 7 HE22 GLN 7 8.177 -0.251 6.779 54 H SER 8 H SER 8 5.556 2.622 0.655 55 HA SER 8 HA SER 8 6.514 3.469 -1.150 56 HB2 SER 8 HB2 SER 8 9.066 3.082 0.466 57 HB3 SER 8 HB3 SER 8 8.716 4.374 -0.665 58 HG SER 8 HG SER 8 8.113 5.413 1.123 59 H SER 9 H SER 9 9.690 2.771 -1.338 60 HA SER 9 HA SER 9 9.204 0.740 -3.321 61 HB2 SER 9 HB2 SER 9 11.506 2.597 -2.675 62 HB3 SER 9 HB3 SER 9 11.780 1.202 -3.700 63 HG SER 9 HG SER 9 9.719 2.124 -4.864 64 H GLN 10 H GLN 10 9.743 0.770 -0.048 65 HA GLN 10 HA GLN 10 11.876 -0.735 0.519 66 HB2 GLN 10 HB2 GLN 10 9.127 -1.221 1.741 67 HB3 GLN 10 HB3 GLN 10 10.680 -1.490 2.507 68 HG2 GLN 10 HG2 GLN 10 9.405 1.170 1.759 69 HG3 GLN 10 HG3 GLN 10 9.873 0.614 3.354 70 HE21 GLN 10 HE21 GLN 10 10.806 2.226 0.512 71 HE22 GLN 10 HE22 GLN 10 12.468 2.538 0.888 72 HA PRO 11 HA PRO 11 11.712 -4.856 -0.900 73 HB2 PRO 11 HB2 PRO 11 11.389 -5.774 1.934 74 HB3 PRO 11 HB3 PRO 11 12.631 -6.229 0.708 75 HG2 PRO 11 HG2 PRO 11 13.234 -4.578 2.685 76 HG3 PRO 11 HG3 PRO 11 13.799 -4.243 1.006 77 HD2 PRO 11 HD2 PRO 11 11.494 -3.058 2.523 78 HD3 PRO 11 HD3 PRO 11 12.730 -2.245 1.492 79 HA PRO 12 HA PRO 12 7.326 -5.634 -1.252 80 HB2 PRO 12 HB2 PRO 12 8.430 -8.139 -2.470 81 HB3 PRO 12 HB3 PRO 12 7.225 -6.970 -3.129 82 HG2 PRO 12 HG2 PRO 12 9.712 -6.990 -4.031 83 HG3 PRO 12 HG3 PRO 12 8.873 -5.431 -3.688 84 HD2 PRO 12 HD2 PRO 12 10.892 -6.922 -2.039 85 HD3 PRO 12 HD3 PRO 12 10.791 -5.161 -2.414 86 H THR 13 H THR 13 6.039 -6.504 0.401 87 HA THR 13 HA THR 13 6.836 -9.108 1.498 88 HB THR 13 HB THR 13 6.036 -8.001 3.760 89 HG1 THR 13 HG1 THR 13 5.300 -6.012 2.837 90 HG21 THR 13 HG21 THR 13 8.299 -6.899 4.106 91 HG22 THR 13 HG22 THR 13 8.419 -8.556 3.469 92 HG23 THR 13 HG23 THR 13 8.640 -7.166 2.379 93 H THR 14 H THR 14 4.927 -9.907 3.012 94 HA THR 14 HA THR 14 2.350 -9.112 1.920 95 HB THR 14 HB THR 14 1.971 -11.695 1.525 96 HG1 THR 14 HG1 THR 14 4.078 -12.693 1.045 97 HG21 THR 14 HG21 THR 14 2.052 -10.197 -0.423 98 HG22 THR 14 HG22 THR 14 3.817 -10.028 -0.262 99 HG23 THR 14 HG23 THR 14 3.113 -11.589 -0.749 100 H LYS 15 H LYS 15 0.528 -9.955 3.158 101 HA LYS 15 HA LYS 15 1.229 -11.169 5.694 102 HB2 LYS 15 HB2 LYS 15 0.424 -8.319 5.382 103 HB3 LYS 15 HB3 LYS 15 -0.344 -9.215 6.678 104 HG2 LYS 15 HG2 LYS 15 2.674 -9.274 6.268 105 HG3 LYS 15 HG3 LYS 15 1.901 -8.018 7.214 106 HD2 LYS 15 HD2 LYS 15 1.293 -10.931 7.801 107 HD3 LYS 15 HD3 LYS 15 2.771 -10.212 8.410 108 HE2 LYS 15 HE2 LYS 15 1.445 -8.419 9.537 109 HE3 LYS 15 HE3 LYS 15 -0.037 -9.114 8.913 110 HZ1 LYS 15 HZ1 LYS 15 0.792 -9.755 11.236 111 HZ2 LYS 15 HZ2 LYS 15 0.158 -10.915 10.278 112 HZ3 LYS 15 HZ3 LYS 15 1.777 -10.793 10.450 113 H THR 16 H THR 16 -0.585 -12.186 6.722 114 HA THR 16 HA THR 16 -2.607 -12.947 4.824 115 HB THR 16 HB THR 16 -2.472 -13.697 7.772 116 HG1 THR 16 HG1 THR 16 -0.881 -15.319 6.879 117 HG21 THR 16 HG21 THR 16 -4.173 -15.005 6.842 118 HG22 THR 16 HG22 THR 16 -3.496 -14.891 5.199 119 HG23 THR 16 HG23 THR 16 -2.773 -16.005 6.384 120 H CYS 17 H CYS 17 -4.615 -12.173 4.574 121 HA CYS 17 HA CYS 17 -5.340 -9.916 6.178 122 HB2 CYS 17 HB2 CYS 17 -7.102 -11.216 4.117 123 HB3 CYS 17 HB3 CYS 17 -7.067 -9.543 4.639 124 H SER 18 H SER 18 -6.537 -10.056 8.048 125 HA SER 18 HA SER 18 -7.847 -12.602 8.536 126 HB2 SER 18 HB2 SER 18 -6.110 -11.654 10.165 127 HB3 SER 18 HB3 SER 18 -7.260 -10.386 10.543 128 HG SER 18 HG SER 18 -7.140 -12.882 11.570 129 H GLY 19 H GLY 19 -10.037 -12.669 8.209 130 HA2 GLY 19 HA2 GLY 19 -12.212 -12.050 8.393 131 HA3 GLY 19 HA3 GLY 19 -11.731 -10.566 9.192 132 H GLU 20 H GLU 20 -9.726 -10.427 6.639 133 HA GLU 20 HA GLU 20 -11.708 -8.992 5.069 134 HB2 GLU 20 HB2 GLU 20 -8.702 -8.718 4.765 135 HB3 GLU 20 HB3 GLU 20 -9.948 -7.574 4.307 136 HG2 GLU 20 HG2 GLU 20 -10.533 -7.533 6.877 137 HG3 GLU 20 HG3 GLU 20 -8.950 -8.253 7.093 138 H THR 21 H THR 21 -11.402 -9.037 2.631 139 HA THR 21 HA THR 21 -10.076 -11.468 1.691 140 HB THR 21 HB THR 21 -12.268 -11.870 0.334 141 HG1 THR 21 HG1 THR 21 -13.072 -9.686 1.003 142 HG21 THR 21 HG21 THR 21 -12.259 -12.129 3.386 143 HG22 THR 21 HG22 THR 21 -13.489 -12.870 2.334 144 HG23 THR 21 HG23 THR 21 -11.789 -13.382 2.213 145 H ASN 22 H ASN 22 -9.862 -8.348 1.623 146 HA ASN 22 HA ASN 22 -9.478 -8.323 -1.258 147 HB2 ASN 22 HB2 ASN 22 -10.618 -6.037 0.436 148 HB3 ASN 22 HB3 ASN 22 -10.192 -5.895 -1.258 149 HD21 ASN 22 HD21 ASN 22 -12.312 -7.435 1.072 150 HD22 ASN 22 HD22 ASN 22 -13.589 -7.872 -0.013 151 H CYS 23 H CYS 23 -7.738 -6.732 -1.909 152 HA CYS 23 HA CYS 23 -5.970 -6.144 0.354 153 HB2 CYS 23 HB2 CYS 23 -5.141 -6.733 -2.494 154 HB3 CYS 23 HB3 CYS 23 -4.080 -6.437 -1.131 155 H TYR 24 H TYR 24 -5.204 -4.008 0.504 156 HA TYR 24 HA TYR 24 -6.181 -2.189 -1.594 157 HB2 TYR 24 HB2 TYR 24 -6.517 -0.623 0.251 158 HB3 TYR 24 HB3 TYR 24 -7.121 -2.156 0.848 159 HD1 TYR 24 HD2 TYR 24 -4.262 0.203 0.992 160 HD2 TYR 24 HD1 TYR 24 -6.094 -3.259 2.713 161 HE1 TYR 24 HE2 TYR 24 -2.689 0.351 2.984 162 HE2 TYR 24 HE1 TYR 24 -4.515 -3.099 4.699 163 HH TYR 24 HH TYR 24 -2.623 -0.336 5.278 164 H LYS 25 H LYS 25 -4.834 -0.324 -2.101 165 HA LYS 25 HA LYS 25 -2.092 -0.495 -1.137 166 HB2 LYS 25 HB2 LYS 25 -1.937 -1.854 -3.081 167 HB3 LYS 25 HB3 LYS 25 -2.932 -0.766 -4.028 168 HG2 LYS 25 HG2 LYS 25 -1.100 1.030 -3.581 169 HG3 LYS 25 HG3 LYS 25 -0.097 -0.294 -3.022 170 HD2 LYS 25 HD2 LYS 25 -0.328 -1.437 -5.209 171 HD3 LYS 25 HD3 LYS 25 -1.424 -0.191 -5.773 172 HE2 LYS 25 HE2 LYS 25 1.328 0.597 -4.776 173 HE3 LYS 25 HE3 LYS 25 1.160 -0.073 -6.387 174 HZ1 LYS 25 HZ1 LYS 25 0.292 2.462 -5.384 175 HZ2 LYS 25 HZ2 LYS 25 0.711 2.030 -6.902 176 HZ3 LYS 25 HZ3 LYS 25 -0.795 1.720 -6.350 177 H LYS 26 H LYS 26 -1.554 1.482 -0.403 178 HA LYS 26 HA LYS 26 -2.932 3.759 -1.642 179 HB2 LYS 26 HB2 LYS 26 -2.227 3.077 1.163 180 HB3 LYS 26 HB3 LYS 26 -2.003 4.751 0.700 181 HG2 LYS 26 HG2 LYS 26 -4.241 4.848 1.294 182 HG3 LYS 26 HG3 LYS 26 -4.434 4.425 -0.395 183 HD2 LYS 26 HD2 LYS 26 -5.845 2.916 0.846 184 HD3 LYS 26 HD3 LYS 26 -4.474 1.971 0.299 185 HE2 LYS 26 HE2 LYS 26 -5.018 1.522 2.697 186 HE3 LYS 26 HE3 LYS 26 -3.395 2.153 2.504 187 HZ1 LYS 26 HZ1 LYS 26 -4.695 3.222 4.270 188 HZ2 LYS 26 HZ2 LYS 26 -4.146 4.285 3.159 189 HZ3 LYS 26 HZ3 LYS 26 -5.715 3.833 3.151 190 H TRP 27 H TRP 27 -1.727 5.538 -2.361 191 HA TRP 27 HA TRP 27 1.096 5.631 -1.886 192 HB2 TRP 27 HB2 TRP 27 1.882 5.281 -4.079 193 HB3 TRP 27 HB3 TRP 27 0.908 3.888 -3.654 194 HD1 TRP 27 HD1 TRP 27 1.015 6.782 -6.141 195 HE1 TRP 27 HE1 TRP 27 -0.832 6.537 -8.010 196 HE3 TRP 27 HE3 TRP 27 -1.455 2.926 -3.932 197 HZ2 TRP 27 HZ2 TRP 27 -3.069 4.796 -8.347 198 HZ3 TRP 27 HZ3 TRP 27 -3.460 2.011 -5.096 199 HH2 TRP 27 HH2 TRP 27 -4.275 2.884 -7.229 200 H TRP 28 H TRP 28 1.868 7.753 -2.300 201 HA TRP 28 HA TRP 28 0.241 9.573 -3.815 202 HB2 TRP 28 HB2 TRP 28 -0.195 11.129 -2.018 203 HB3 TRP 28 HB3 TRP 28 -0.988 9.594 -1.726 204 HD1 TRP 28 HD1 TRP 28 1.587 11.927 -0.188 205 HE1 TRP 28 HE1 TRP 28 2.406 11.080 2.173 206 HE3 TRP 28 HE3 TRP 28 -0.574 7.335 -0.502 207 HZ2 TRP 28 HZ2 TRP 28 2.066 8.639 3.612 208 HZ3 TRP 28 HZ3 TRP 28 -0.282 5.780 1.425 209 HH2 TRP 28 HH2 TRP 28 0.984 6.368 3.431 210 H SER 29 H SER 29 1.382 11.839 -3.703 211 HA SER 29 HA SER 29 4.234 11.276 -3.633 212 HB2 SER 29 HB2 SER 29 2.954 12.126 -5.763 213 HB3 SER 29 HB3 SER 29 2.965 13.686 -4.966 214 HG SER 29 HG SER 29 4.993 13.936 -5.576 215 H ASP 30 H ASP 30 5.695 12.878 -2.674 216 HA ASP 30 HA ASP 30 4.386 14.931 -1.121 217 HB2 ASP 30 HB2 ASP 30 4.762 12.718 0.230 218 HB3 ASP 30 HB3 ASP 30 6.467 13.117 0.157 219 H HIS 31 H HIS 31 6.201 16.410 -0.100 220 HA HIS 31 HA HIS 31 8.020 17.058 -2.146 221 HB2 HIS 31 HB2 HIS 31 8.659 18.879 -0.762 222 HB3 HIS 31 HB3 HIS 31 6.929 18.668 -0.583 223 HD1 HIS 31 HD1 HIS 31 6.027 17.930 1.740 224 HD2 HIS 31 HD2 HIS 31 10.204 18.268 1.553 225 HE1 HIS 31 HE1 HIS 31 6.860 17.836 4.149 226 HE2 HIS 31 HE2 HIS 31 9.437 17.994 3.967 227 H ARG 32 H ARG 32 8.054 14.608 0.197 228 HA ARG 32 HA ARG 32 10.944 14.699 0.389 229 HB2 ARG 32 HB2 ARG 32 8.764 13.279 1.957 230 HB3 ARG 32 HB3 ARG 32 10.409 12.678 2.029 231 HG2 ARG 32 HG2 ARG 32 9.734 15.602 2.563 232 HG3 ARG 32 HG3 ARG 32 9.709 14.396 3.834 233 HD2 ARG 32 HD2 ARG 32 12.135 13.796 3.055 234 HD3 ARG 32 HD3 ARG 32 12.091 15.310 2.174 235 HE ARG 32 HE ARG 32 11.238 15.978 4.752 236 HH11 ARG 32 HH22 ARG 32 14.106 14.487 3.362 237 HH12 ARG 32 HH21 ARG 32 15.165 15.064 4.605 238 HH21 ARG 32 HH12 ARG 32 12.635 16.739 6.393 239 HH22 ARG 32 HH11 ARG 32 14.323 16.354 6.341 240 H GLY 33 H GLY 33 8.195 12.956 -1.001 241 HA2 GLY 33 HA2 GLY 33 9.383 11.707 -3.036 242 HA3 GLY 33 HA3 GLY 33 9.775 10.623 -1.717 243 H THR 34 H THR 34 8.361 9.247 -3.345 244 HA THR 34 HA THR 34 5.511 9.696 -2.940 245 HB THR 34 HB THR 34 7.224 7.867 -4.685 246 HG1 THR 34 HG1 THR 34 6.627 10.268 -5.042 247 HG21 THR 34 HG21 THR 34 4.660 7.664 -5.671 248 HG22 THR 34 HG22 THR 34 5.412 6.424 -4.640 249 HG23 THR 34 HG23 THR 34 4.339 7.648 -3.920 250 H ILE 35 H ILE 35 4.540 8.970 -1.162 251 HA ILE 35 HA ILE 35 5.767 6.751 0.250 252 HB ILE 35 HB ILE 35 3.486 8.599 0.958 253 HG12 ILE 35 HG12 ILE 35 6.416 8.561 1.708 254 HG13 ILE 35 HG13 ILE 35 5.520 9.840 0.912 255 HG21 ILE 35 HG21 ILE 35 3.122 6.504 2.065 256 HG22 ILE 35 HG22 ILE 35 4.829 6.410 2.563 257 HG23 ILE 35 HG23 ILE 35 3.768 7.661 3.253 258 HD11 ILE 35 HD11 ILE 35 4.059 9.988 3.015 259 HD12 ILE 35 HD12 ILE 35 5.233 8.902 3.796 260 HD13 ILE 35 HD13 ILE 35 5.751 10.503 3.215 261 H ILE 36 H ILE 36 4.943 4.695 0.353 262 HA ILE 36 HA ILE 36 2.322 4.289 -0.896 263 HB ILE 36 HB ILE 36 4.668 2.453 -1.336 264 HG12 ILE 36 HG12 ILE 36 3.728 4.706 -3.136 265 HG13 ILE 36 HG13 ILE 36 5.240 4.661 -2.252 266 HG21 ILE 36 HG21 ILE 36 2.570 2.535 -3.350 267 HG22 ILE 36 HG22 ILE 36 3.245 1.156 -2.450 268 HG23 ILE 36 HG23 ILE 36 1.936 2.129 -1.737 269 HD11 ILE 36 HD11 ILE 36 4.371 2.724 -4.445 270 HD12 ILE 36 HD12 ILE 36 5.650 3.957 -4.557 271 HD13 ILE 36 HD13 ILE 36 5.861 2.550 -3.487 272 H GLU 37 H GLU 37 0.943 3.236 0.428 273 HA GLU 37 HA GLU 37 2.165 1.529 2.449 274 HB2 GLU 37 HB2 GLU 37 1.270 3.854 3.250 275 HB3 GLU 37 HB3 GLU 37 -0.326 3.171 3.006 276 HG2 GLU 37 HG2 GLU 37 0.465 2.881 5.358 277 HG3 GLU 37 HG3 GLU 37 0.148 1.344 4.580 278 H ARG 38 H ARG 38 1.519 -0.548 2.102 279 HA ARG 38 HA ARG 38 -1.168 -0.874 1.027 280 HB2 ARG 38 HB2 ARG 38 1.180 -2.802 0.680 281 HB3 ARG 38 HB3 ARG 38 -0.380 -2.909 -0.111 282 HG2 ARG 38 HG2 ARG 38 0.167 -0.525 -1.061 283 HG3 ARG 38 HG3 ARG 38 1.815 -0.855 -0.567 284 HD2 ARG 38 HD2 ARG 38 1.483 -3.133 -1.883 285 HD3 ARG 38 HD3 ARG 38 0.145 -2.300 -2.648 286 HE ARG 38 HE ARG 38 1.702 -1.126 -3.917 287 HH11 ARG 38 HH22 ARG 38 3.244 -2.114 -0.912 288 HH12 ARG 38 HH21 ARG 38 4.791 -1.465 -1.344 289 HH21 ARG 38 HH12 ARG 38 3.743 -0.269 -4.487 290 HH22 ARG 38 HH11 ARG 38 5.076 -0.408 -3.390 291 H GLY 39 H GLY 39 -2.222 -3.029 1.674 292 HA2 GLY 39 HA2 GLY 39 -1.205 -4.586 3.791 293 HA3 GLY 39 HA3 GLY 39 -2.242 -3.336 4.451 294 H CYS 40 H CYS 40 -3.388 -5.538 5.041 295 HA CYS 40 HA CYS 40 -4.893 -6.628 2.841 296 HB2 CYS 40 HB2 CYS 40 -4.577 -7.310 5.745 297 HB3 CYS 40 HB3 CYS 40 -5.940 -7.943 4.845 298 H GLY 41 H GLY 41 -7.277 -6.580 2.802 299 HA2 GLY 41 HA2 GLY 41 -9.344 -5.802 3.543 300 HA3 GLY 41 HA3 GLY 41 -8.553 -4.625 4.572 301 H CYS 42 H CYS 42 -10.244 -3.175 3.498 302 HA CYS 42 HA CYS 42 -8.957 -1.897 1.240 303 HB2 CYS 42 HB2 CYS 42 -10.474 -3.367 0.109 304 HB3 CYS 42 HB3 CYS 42 -11.798 -2.922 1.167 305 HA PRO 43 HA PRO 43 -10.480 0.817 4.689 306 HB2 PRO 43 HB2 PRO 43 -8.162 2.263 4.795 307 HB3 PRO 43 HB3 PRO 43 -8.348 0.679 5.635 308 HG2 PRO 43 HG2 PRO 43 -7.109 1.290 2.971 309 HG3 PRO 43 HG3 PRO 43 -6.476 0.278 4.323 310 HD2 PRO 43 HD2 PRO 43 -7.699 -0.792 2.183 311 HD3 PRO 43 HD3 PRO 43 -7.900 -1.465 3.844 312 H LYS 44 H LYS 44 -10.286 3.393 4.720 313 HA LYS 44 HA LYS 44 -10.718 4.252 1.944 314 HB2 LYS 44 HB2 LYS 44 -11.990 5.264 4.505 315 HB3 LYS 44 HB3 LYS 44 -12.235 5.962 2.917 316 HG2 LYS 44 HG2 LYS 44 -14.054 4.511 2.997 317 HG3 LYS 44 HG3 LYS 44 -12.872 3.465 2.237 318 HD2 LYS 44 HD2 LYS 44 -12.492 2.222 4.209 319 HD3 LYS 44 HD3 LYS 44 -13.034 3.518 5.257 320 HE2 LYS 44 HE2 LYS 44 -14.894 2.123 5.373 321 HE3 LYS 44 HE3 LYS 44 -15.373 3.131 4.022 322 HZ1 LYS 44 HZ1 LYS 44 -14.485 0.385 4.018 323 HZ2 LYS 44 HZ2 LYS 44 -15.622 1.114 3.099 324 HZ3 LYS 44 HZ3 LYS 44 -14.039 1.294 2.736 325 H VAL 45 H VAL 45 -9.745 6.170 1.219 326 HA VAL 45 HA VAL 45 -7.764 7.273 3.092 327 HB VAL 45 HB VAL 45 -6.288 7.598 1.228 328 HG11 VAL 45 HG11 VAL 45 -7.428 4.833 1.587 329 HG12 VAL 45 HG12 VAL 45 -6.097 5.122 0.441 330 HG13 VAL 45 HG13 VAL 45 -5.885 5.505 2.166 331 HG21 VAL 45 HG21 VAL 45 -7.556 8.104 -0.646 332 HG22 VAL 45 HG22 VAL 45 -7.011 6.450 -1.013 333 HG23 VAL 45 HG23 VAL 45 -8.660 6.729 -0.404 334 H LYS 46 H LYS 46 -7.140 9.593 2.528 335 HA LYS 46 HA LYS 46 -9.604 11.041 2.071 336 HB2 LYS 46 HB2 LYS 46 -6.936 12.269 2.745 337 HB3 LYS 46 HB3 LYS 46 -8.545 12.869 3.093 338 HG2 LYS 46 HG2 LYS 46 -8.886 10.828 4.599 339 HG3 LYS 46 HG3 LYS 46 -7.195 10.441 4.358 340 HD2 LYS 46 HD2 LYS 46 -6.780 12.944 5.126 341 HD3 LYS 46 HD3 LYS 46 -8.400 12.829 5.785 342 HE2 LYS 46 HE2 LYS 46 -6.830 12.200 7.539 343 HE3 LYS 46 HE3 LYS 46 -7.702 10.759 7.055 344 HZ1 LYS 46 HZ1 LYS 46 -4.959 11.253 6.916 345 HZ2 LYS 46 HZ2 LYS 46 -5.759 9.863 6.608 346 HZ3 LYS 46 HZ3 LYS 46 -5.508 10.944 5.410 347 HA PRO 47 HA PRO 47 -9.028 12.637 -1.920 348 HB2 PRO 47 HB2 PRO 47 -8.606 15.356 -0.736 349 HB3 PRO 47 HB3 PRO 47 -9.800 14.809 -1.971 350 HG2 PRO 47 HG2 PRO 47 -10.559 15.274 0.520 351 HG3 PRO 47 HG3 PRO 47 -11.161 13.823 -0.367 352 HD2 PRO 47 HD2 PRO 47 -8.981 14.045 1.687 353 HD3 PRO 47 HD3 PRO 47 -10.296 12.820 1.535 354 H GLY 48 H GLY 48 -7.234 12.739 -3.334 355 HA2 GLY 48 HA2 GLY 48 -5.207 13.727 -4.026 356 HA3 GLY 48 HA3 GLY 48 -4.783 14.043 -2.355 357 H VAL 49 H VAL 49 -5.582 11.392 -1.314 358 HA VAL 49 HA VAL 49 -3.174 10.000 -2.046 359 HB VAL 49 HB VAL 49 -5.316 8.994 -0.195 360 HG11 VAL 49 HG11 VAL 49 -3.508 7.465 -0.543 361 HG12 VAL 49 HG12 VAL 49 -2.295 8.748 -0.314 362 HG13 VAL 49 HG13 VAL 49 -3.279 8.197 1.063 363 HG21 VAL 49 HG21 VAL 49 -3.805 11.493 0.061 364 HG22 VAL 49 HG22 VAL 49 -5.213 10.905 0.976 365 HG23 VAL 49 HG23 VAL 49 -3.573 10.390 1.439 366 H ASN 50 H ASN 50 -3.036 7.951 -3.049 367 HA ASN 50 HA ASN 50 -5.376 7.372 -4.647 368 HB2 ASN 50 HB2 ASN 50 -2.423 6.652 -4.837 369 HB3 ASN 50 HB3 ASN 50 -3.603 5.752 -5.768 370 HD21 ASN 50 HD21 ASN 50 -1.827 8.654 -5.423 371 HD22 ASN 50 HD22 ASN 50 -2.398 9.500 -6.823 372 H LEU 51 H LEU 51 -6.391 5.279 -4.565 373 HA LEU 51 HA LEU 51 -5.214 3.324 -2.747 374 HB2 LEU 51 HB2 LEU 51 -6.670 4.504 -1.304 375 HB3 LEU 51 HB3 LEU 51 -7.952 4.552 -2.498 376 HG LEU 51 HG LEU 51 -8.383 2.198 -2.253 377 HD11 LEU 51 HD11 LEU 51 -5.689 2.124 -1.237 378 HD12 LEU 51 HD12 LEU 51 -6.803 1.357 -0.080 379 HD13 LEU 51 HD13 LEU 51 -6.741 0.789 -1.766 380 HD21 LEU 51 HD21 LEU 51 -8.635 4.088 -0.133 381 HD22 LEU 51 HD22 LEU 51 -9.681 2.704 -0.531 382 HD23 LEU 51 HD23 LEU 51 -8.306 2.489 0.578 383 H ASN 52 H ASN 52 -5.624 1.175 -3.330 384 HA ASN 52 HA ASN 52 -7.381 0.833 -5.612 385 HB2 ASN 52 HB2 ASN 52 -5.012 1.011 -6.454 386 HB3 ASN 52 HB3 ASN 52 -4.542 -0.302 -5.394 387 HD21 ASN 52 HD21 ASN 52 -5.105 -2.392 -5.844 388 HD22 ASN 52 HD22 ASN 52 -5.772 -2.913 -7.356 389 H CYS 53 H CYS 53 -8.831 -0.780 -5.002 390 HA CYS 53 HA CYS 53 -7.856 -2.757 -3.074 391 HB2 CYS 53 HB2 CYS 53 -10.692 -1.832 -3.583 392 HB3 CYS 53 HB3 CYS 53 -10.213 -3.072 -2.442 393 H CYS 54 H CYS 54 -8.260 -4.994 -3.540 394 HA CYS 54 HA CYS 54 -9.687 -5.625 -5.961 395 HB2 CYS 54 HB2 CYS 54 -7.652 -7.084 -6.668 396 HB3 CYS 54 HB3 CYS 54 -7.745 -5.398 -7.134 397 H ARG 55 H ARG 55 -9.859 -8.111 -6.140 398 HA ARG 55 HA ARG 55 -9.774 -9.187 -3.438 399 HB2 ARG 55 HB2 ARG 55 -11.604 -9.882 -5.790 400 HB3 ARG 55 HB3 ARG 55 -11.605 -10.752 -4.269 401 HG2 ARG 55 HG2 ARG 55 -12.585 -8.993 -3.091 402 HG3 ARG 55 HG3 ARG 55 -11.875 -7.761 -4.116 403 HD2 ARG 55 HD2 ARG 55 -13.436 -8.590 -5.995 404 HD3 ARG 55 HD3 ARG 55 -14.246 -9.563 -4.784 405 HE ARG 55 HE ARG 55 -13.989 -6.786 -3.942 406 HH11 ARG 55 HH22 ARG 55 -15.909 -8.987 -5.905 407 HH12 ARG 55 HH21 ARG 55 -17.339 -8.012 -5.826 408 HH21 ARG 55 HH12 ARG 55 -15.875 -5.501 -3.838 409 HH22 ARG 55 HH11 ARG 55 -17.320 -6.016 -4.642 410 H THR 56 H THR 56 -7.387 -9.293 -4.849 411 HA THR 56 HA THR 56 -7.232 -12.145 -5.527 412 HB THR 56 HB THR 56 -5.457 -11.211 -7.285 413 HG1 THR 56 HG1 THR 56 -6.678 -9.074 -7.986 414 HG21 THR 56 HG21 THR 56 -7.529 -12.346 -8.041 415 HG22 THR 56 HG22 THR 56 -8.479 -10.887 -7.672 416 HG23 THR 56 HG23 THR 56 -7.283 -10.860 -8.989 417 H ASP 57 H ASP 57 -5.346 -13.207 -4.901 418 HA ASP 57 HA ASP 57 -4.174 -12.210 -2.621 419 HB2 ASP 57 HB2 ASP 57 -3.099 -14.304 -4.570 420 HB3 ASP 57 HB3 ASP 57 -2.534 -14.089 -2.926 421 H ARG 58 H ARG 58 -2.133 -11.154 -2.257 422 HA ARG 58 HA ARG 58 -0.639 -9.640 -2.750 423 HB2 ARG 58 HB2 ARG 58 0.347 -11.514 -4.937 424 HB3 ARG 58 HB3 ARG 58 1.305 -10.523 -3.856 425 HG2 ARG 58 HG2 ARG 58 0.210 -11.975 -1.940 426 HG3 ARG 58 HG3 ARG 58 -0.183 -13.093 -3.231 427 HD2 ARG 58 HD2 ARG 58 2.116 -13.486 -3.762 428 HD3 ARG 58 HD3 ARG 58 2.652 -12.038 -2.932 429 HE ARG 58 HE ARG 58 1.413 -13.615 -0.959 430 HH11 ARG 58 HH22 ARG 58 4.137 -13.947 -3.161 431 HH12 ARG 58 HH21 ARG 58 5.018 -15.009 -2.114 432 HH21 ARG 58 HH12 ARG 58 2.574 -15.016 0.423 433 HH22 ARG 58 HH11 ARG 58 4.123 -15.622 -0.062 434 H CYS 59 H CYS 59 -3.078 -9.116 -4.163 435 HA CYS 59 HA CYS 59 -2.348 -8.507 -6.881 436 HB2 CYS 59 HB2 CYS 59 -4.616 -7.855 -7.187 437 HB3 CYS 59 HB3 CYS 59 -4.589 -9.369 -6.307 438 H ASN 60 H ASN 60 -2.414 -7.049 -3.683 439 HA ASN 60 HA ASN 60 -2.324 -4.392 -4.801 440 HB2 ASN 60 HB2 ASN 60 -2.436 -3.637 -2.451 441 HB3 ASN 60 HB3 ASN 60 -3.673 -4.848 -2.726 442 HD21 ASN 60 HD21 ASN 60 -2.129 -3.933 -0.323 443 HD22 ASN 60 HD22 ASN 60 -1.490 -5.367 0.408 444 H ASN 61 H ASN 61 -0.136 -5.849 -5.677 445 HA ASN 61 HA ASN 61 2.000 -5.839 -3.866 446 HB2 ASN 61 HB2 ASN 61 1.760 -7.222 -6.032 447 HB3 ASN 61 HB3 ASN 61 2.157 -5.766 -6.922 448 HD21 ASN 61 HD21 ASN 61 4.060 -6.434 -7.751 449 HD22 ASN 61 HD22 ASN 61 5.491 -6.751 -6.827 Start of MODEL 19 1 H1 LEU 1 H1 LEU 1 -6.236 -16.228 1.530 2 H2 LEU 1 H2 LEU 1 -7.165 -15.138 2.361 3 H3 LEU 1 H3 LEU 1 -5.567 -15.333 2.751 4 HA LEU 1 HA LEU 1 -5.562 -14.789 0.120 5 HB2 LEU 1 HB2 LEU 1 -7.799 -14.053 0.121 6 HB3 LEU 1 HB3 LEU 1 -7.600 -13.157 1.614 7 HG LEU 1 HG LEU 1 -5.912 -11.706 0.278 8 HD11 LEU 1 HD11 LEU 1 -7.378 -13.101 -1.972 9 HD12 LEU 1 HD12 LEU 1 -6.503 -11.562 -2.158 10 HD13 LEU 1 HD13 LEU 1 -5.623 -13.034 -1.680 11 HD21 LEU 1 HD21 LEU 1 -7.822 -10.620 1.005 12 HD22 LEU 1 HD22 LEU 1 -7.925 -10.432 -0.762 13 HD23 LEU 1 HD23 LEU 1 -8.909 -11.666 0.061 14 H GLU 2 H GLU 2 -3.743 -13.562 -0.236 15 HA GLU 2 HA GLU 2 -2.621 -12.371 2.176 16 HB2 GLU 2 HB2 GLU 2 -1.482 -14.338 0.758 17 HB3 GLU 2 HB3 GLU 2 -0.935 -13.005 -0.240 18 HG2 GLU 2 HG2 GLU 2 0.146 -11.925 1.676 19 HG3 GLU 2 HG3 GLU 2 -0.552 -13.087 2.787 20 H CYS 3 H CYS 3 -1.555 -10.281 2.009 21 HA CYS 3 HA CYS 3 -2.026 -8.874 -0.494 22 HB2 CYS 3 HB2 CYS 3 -2.808 -7.637 2.142 23 HB3 CYS 3 HB3 CYS 3 -3.083 -7.012 0.529 24 H HIS 4 H HIS 4 -0.388 -7.322 -0.911 25 HA HIS 4 HA HIS 4 2.008 -7.676 0.500 26 HB2 HIS 4 HB2 HIS 4 1.049 -5.911 -1.720 27 HB3 HIS 4 HB3 HIS 4 2.561 -5.508 -0.932 28 HD1 HIS 4 HD1 HIS 4 4.568 -7.184 -1.219 29 HD2 HIS 4 HD2 HIS 4 1.103 -8.215 -3.346 30 HE1 HIS 4 HE1 HIS 4 5.262 -8.987 -2.885 31 HE2 HIS 4 HE2 HIS 4 3.081 -9.619 -4.125 32 H ASN 5 H ASN 5 3.014 -6.469 2.104 33 HA ASN 5 HA ASN 5 1.378 -4.291 3.145 34 HB2 ASN 5 HB2 ASN 5 1.990 -4.924 5.370 35 HB3 ASN 5 HB3 ASN 5 1.685 -6.454 4.572 36 HD21 ASN 5 HD21 ASN 5 3.610 -5.126 6.705 37 HD22 ASN 5 HD22 ASN 5 5.127 -5.908 6.410 38 H GLN 6 H GLN 6 3.817 -4.620 1.153 39 HA GLN 6 HA GLN 6 5.972 -3.419 2.539 40 HB2 GLN 6 HB2 GLN 6 6.796 -3.114 0.061 41 HB3 GLN 6 HB3 GLN 6 6.688 -4.726 0.738 42 HG2 GLN 6 HG2 GLN 6 4.844 -5.308 -0.554 43 HG3 GLN 6 HG3 GLN 6 4.205 -3.676 -0.581 44 HE21 GLN 6 HE21 GLN 6 5.327 -5.972 -2.493 45 HE22 GLN 6 HE22 GLN 6 6.105 -5.074 -3.753 46 H GLN 7 H GLN 7 6.691 -1.245 2.482 47 HA GLN 7 HA GLN 7 4.653 0.586 1.497 48 HB2 GLN 7 HB2 GLN 7 6.749 0.892 3.687 49 HB3 GLN 7 HB3 GLN 7 5.771 2.226 3.109 50 HG2 GLN 7 HG2 GLN 7 3.708 0.729 3.619 51 HG3 GLN 7 HG3 GLN 7 4.815 -0.314 4.490 52 HE21 GLN 7 HE21 GLN 7 4.278 3.193 4.123 53 HE22 GLN 7 HE22 GLN 7 4.283 3.593 5.809 54 H SER 8 H SER 8 5.518 2.760 0.677 55 HA SER 8 HA SER 8 6.531 3.618 -1.094 56 HB2 SER 8 HB2 SER 8 9.062 3.105 0.514 57 HB3 SER 8 HB3 SER 8 8.724 4.464 -0.539 58 HG SER 8 HG SER 8 7.530 3.868 2.024 59 H SER 9 H SER 9 9.673 2.848 -1.291 60 HA SER 9 HA SER 9 9.142 0.833 -3.286 61 HB2 SER 9 HB2 SER 9 11.695 1.293 -3.740 62 HB3 SER 9 HB3 SER 9 10.502 2.481 -4.224 63 HG SER 9 HG SER 9 12.253 2.532 -1.935 64 H GLN 10 H GLN 10 9.724 0.849 -0.028 65 HA GLN 10 HA GLN 10 11.875 -0.643 0.507 66 HB2 GLN 10 HB2 GLN 10 9.169 -1.219 1.774 67 HB3 GLN 10 HB3 GLN 10 10.748 -1.360 2.521 68 HG2 GLN 10 HG2 GLN 10 9.115 1.097 1.973 69 HG3 GLN 10 HG3 GLN 10 10.113 0.713 3.362 70 HE21 GLN 10 HE21 GLN 10 12.414 0.828 3.165 71 HE22 GLN 10 HE22 GLN 10 13.161 1.924 2.051 72 HA PRO 11 HA PRO 11 11.723 -4.761 -0.923 73 HB2 PRO 11 HB2 PRO 11 11.423 -5.692 1.909 74 HB3 PRO 11 HB3 PRO 11 12.659 -6.136 0.674 75 HG2 PRO 11 HG2 PRO 11 13.266 -4.490 2.654 76 HG3 PRO 11 HG3 PRO 11 13.819 -4.145 0.973 77 HD2 PRO 11 HD2 PRO 11 11.518 -2.978 2.509 78 HD3 PRO 11 HD3 PRO 11 12.743 -2.154 1.474 79 HA PRO 12 HA PRO 12 7.331 -5.537 -1.243 80 HB2 PRO 12 HB2 PRO 12 8.432 -8.011 -2.525 81 HB3 PRO 12 HB3 PRO 12 7.214 -6.835 -3.145 82 HG2 PRO 12 HG2 PRO 12 9.689 -6.823 -4.077 83 HG3 PRO 12 HG3 PRO 12 8.847 -5.276 -3.692 84 HD2 PRO 12 HD2 PRO 12 10.894 -6.791 -2.099 85 HD3 PRO 12 HD3 PRO 12 10.779 -5.023 -2.436 86 H THR 13 H THR 13 6.063 -6.453 0.401 87 HA THR 13 HA THR 13 6.889 -9.073 1.437 88 HB THR 13 HB THR 13 6.110 -8.021 3.729 89 HG1 THR 13 HG1 THR 13 5.358 -6.054 2.547 90 HG21 THR 13 HG21 THR 13 8.688 -7.125 2.338 91 HG22 THR 13 HG22 THR 13 8.366 -6.909 4.075 92 HG23 THR 13 HG23 THR 13 8.496 -8.547 3.391 93 H THR 14 H THR 14 5.006 -9.930 2.939 94 HA THR 14 HA THR 14 2.421 -9.151 1.822 95 HB THR 14 HB THR 14 2.075 -11.768 1.577 96 HG1 THR 14 HG1 THR 14 4.011 -12.699 2.140 97 HG21 THR 14 HG21 THR 14 2.104 -11.117 -0.616 98 HG22 THR 14 HG22 THR 14 3.207 -9.769 -0.252 99 HG23 THR 14 HG23 THR 14 3.862 -11.388 -0.593 100 H LYS 15 H LYS 15 0.584 -9.997 3.067 101 HA LYS 15 HA LYS 15 1.250 -11.064 5.669 102 HB2 LYS 15 HB2 LYS 15 0.355 -8.238 5.233 103 HB3 LYS 15 HB3 LYS 15 -0.264 -9.106 6.623 104 HG2 LYS 15 HG2 LYS 15 2.282 -9.772 6.996 105 HG3 LYS 15 HG3 LYS 15 2.606 -8.394 5.962 106 HD2 LYS 15 HD2 LYS 15 1.333 -8.454 8.703 107 HD3 LYS 15 HD3 LYS 15 2.617 -7.419 8.107 108 HE2 LYS 15 HE2 LYS 15 0.744 -6.497 6.464 109 HE3 LYS 15 HE3 LYS 15 -0.368 -7.197 7.623 110 HZ1 LYS 15 HZ1 LYS 15 1.211 -5.922 9.262 111 HZ2 LYS 15 HZ2 LYS 15 1.443 -4.973 7.953 112 HZ3 LYS 15 HZ3 LYS 15 -0.062 -5.188 8.549 113 H THR 16 H THR 16 -0.574 -12.041 6.710 114 HA THR 16 HA THR 16 -2.585 -12.859 4.822 115 HB THR 16 HB THR 16 -2.450 -13.513 7.796 116 HG1 THR 16 HG1 THR 16 -0.791 -15.039 7.117 117 HG21 THR 16 HG21 THR 16 -3.511 -14.780 5.272 118 HG22 THR 16 HG22 THR 16 -2.800 -15.861 6.494 119 HG23 THR 16 HG23 THR 16 -4.181 -14.822 6.920 120 H CYS 17 H CYS 17 -4.695 -12.271 4.674 121 HA CYS 17 HA CYS 17 -5.395 -9.904 6.171 122 HB2 CYS 17 HB2 CYS 17 -7.130 -11.244 4.113 123 HB3 CYS 17 HB3 CYS 17 -7.111 -9.564 4.611 124 H SER 18 H SER 18 -6.604 -10.024 8.034 125 HA SER 18 HA SER 18 -7.908 -12.568 8.547 126 HB2 SER 18 HB2 SER 18 -8.009 -11.623 10.946 127 HB3 SER 18 HB3 SER 18 -6.428 -12.057 10.327 128 HG SER 18 HG SER 18 -7.215 -9.673 11.283 129 H GLY 19 H GLY 19 -10.096 -12.649 8.203 130 HA2 GLY 19 HA2 GLY 19 -12.275 -12.037 8.350 131 HA3 GLY 19 HA3 GLY 19 -11.809 -10.547 9.146 132 H GLU 20 H GLU 20 -9.775 -10.400 6.623 133 HA GLU 20 HA GLU 20 -11.749 -8.994 5.016 134 HB2 GLU 20 HB2 GLU 20 -8.738 -8.689 4.777 135 HB3 GLU 20 HB3 GLU 20 -9.983 -7.569 4.262 136 HG2 GLU 20 HG2 GLU 20 -10.553 -7.004 6.554 137 HG3 GLU 20 HG3 GLU 20 -9.593 -8.326 7.190 138 H THR 21 H THR 21 -11.522 -9.104 2.610 139 HA THR 21 HA THR 21 -10.118 -11.509 1.693 140 HB THR 21 HB THR 21 -12.302 -11.907 0.301 141 HG1 THR 21 HG1 THR 21 -13.643 -10.719 2.501 142 HG21 THR 21 HG21 THR 21 -12.307 -12.211 3.349 143 HG22 THR 21 HG22 THR 21 -13.511 -12.960 2.272 144 HG23 THR 21 HG23 THR 21 -11.800 -13.439 2.164 145 H ASN 22 H ASN 22 -9.925 -8.385 1.605 146 HA ASN 22 HA ASN 22 -9.497 -8.381 -1.270 147 HB2 ASN 22 HB2 ASN 22 -10.686 -6.097 0.393 148 HB3 ASN 22 HB3 ASN 22 -10.219 -5.950 -1.289 149 HD21 ASN 22 HD21 ASN 22 -12.397 -7.476 0.988 150 HD22 ASN 22 HD22 ASN 22 -13.640 -7.933 -0.129 151 H CYS 23 H CYS 23 -7.749 -6.801 -1.910 152 HA CYS 23 HA CYS 23 -6.022 -6.177 0.374 153 HB2 CYS 23 HB2 CYS 23 -5.146 -6.792 -2.454 154 HB3 CYS 23 HB3 CYS 23 -4.108 -6.476 -1.078 155 H TYR 24 H TYR 24 -5.213 -4.044 0.483 156 HA TYR 24 HA TYR 24 -6.186 -2.247 -1.637 157 HB2 TYR 24 HB2 TYR 24 -6.548 -0.661 0.184 158 HB3 TYR 24 HB3 TYR 24 -7.155 -2.187 0.794 159 HD1 TYR 24 HD2 TYR 24 -4.344 0.216 0.969 160 HD2 TYR 24 HD1 TYR 24 -6.107 -3.299 2.656 161 HE1 TYR 24 HE2 TYR 24 -2.795 0.393 2.977 162 HE2 TYR 24 HE1 TYR 24 -4.551 -3.109 4.658 163 HH TYR 24 HH TYR 24 -3.231 -0.736 5.693 164 H LYS 25 H LYS 25 -4.831 -0.407 -2.174 165 HA LYS 25 HA LYS 25 -2.096 -0.573 -1.175 166 HB2 LYS 25 HB2 LYS 25 -1.917 -1.920 -3.117 167 HB3 LYS 25 HB3 LYS 25 -2.932 -0.852 -4.064 168 HG2 LYS 25 HG2 LYS 25 -1.013 0.938 -3.389 169 HG3 LYS 25 HG3 LYS 25 -0.051 -0.521 -3.262 170 HD2 LYS 25 HD2 LYS 25 -1.523 0.539 -5.704 171 HD3 LYS 25 HD3 LYS 25 0.194 0.233 -5.531 172 HE2 LYS 25 HE2 LYS 25 -0.389 -1.694 -6.682 173 HE3 LYS 25 HE3 LYS 25 -0.646 -2.276 -5.050 174 HZ1 LYS 25 HZ1 LYS 25 -2.900 -0.917 -6.152 175 HZ2 LYS 25 HZ2 LYS 25 -2.492 -2.268 -6.974 176 HZ3 LYS 25 HZ3 LYS 25 -2.826 -2.353 -5.377 177 H LYS 26 H LYS 26 -1.542 1.401 -0.442 178 HA LYS 26 HA LYS 26 -2.922 3.686 -1.664 179 HB2 LYS 26 HB2 LYS 26 -1.689 3.506 1.099 180 HB3 LYS 26 HB3 LYS 26 -2.621 4.838 0.448 181 HG2 LYS 26 HG2 LYS 26 -4.651 3.568 0.423 182 HG3 LYS 26 HG3 LYS 26 -3.802 2.041 0.562 183 HD2 LYS 26 HD2 LYS 26 -4.978 3.153 2.688 184 HD3 LYS 26 HD3 LYS 26 -3.481 2.256 2.856 185 HE2 LYS 26 HE2 LYS 26 -3.417 4.471 4.038 186 HE3 LYS 26 HE3 LYS 26 -2.159 4.318 2.828 187 HZ1 LYS 26 HZ1 LYS 26 -4.200 5.351 1.436 188 HZ2 LYS 26 HZ2 LYS 26 -4.392 6.081 2.884 189 HZ3 LYS 26 HZ3 LYS 26 -2.977 6.221 2.082 190 H TRP 27 H TRP 27 -1.719 5.472 -2.378 191 HA TRP 27 HA TRP 27 1.108 5.556 -1.938 192 HB2 TRP 27 HB2 TRP 27 1.864 5.223 -4.154 193 HB3 TRP 27 HB3 TRP 27 0.927 3.815 -3.695 194 HD1 TRP 27 HD1 TRP 27 0.927 6.681 -6.215 195 HE1 TRP 27 HE1 TRP 27 -0.956 6.383 -8.039 196 HE3 TRP 27 HE3 TRP 27 -1.429 2.812 -3.906 197 HZ2 TRP 27 HZ2 TRP 27 -3.171 4.603 -8.305 198 HZ3 TRP 27 HZ3 TRP 27 -3.445 1.852 -5.014 199 HH2 TRP 27 HH2 TRP 27 -4.321 2.686 -7.139 200 H TRP 28 H TRP 28 1.890 7.673 -2.395 201 HA TRP 28 HA TRP 28 0.278 9.495 -3.903 202 HB2 TRP 28 HB2 TRP 28 -0.217 11.043 -2.120 203 HB3 TRP 28 HB3 TRP 28 -0.997 9.500 -1.836 204 HD1 TRP 28 HD1 TRP 28 1.444 11.900 -0.223 205 HE1 TRP 28 HE1 TRP 28 2.255 11.062 2.144 206 HE3 TRP 28 HE3 TRP 28 -0.474 7.210 -0.644 207 HZ2 TRP 28 HZ2 TRP 28 2.009 8.587 3.544 208 HZ3 TRP 28 HZ3 TRP 28 -0.144 5.645 1.268 209 HH2 TRP 28 HH2 TRP 28 1.048 6.268 3.309 210 H SER 29 H SER 29 1.403 11.789 -3.687 211 HA SER 29 HA SER 29 4.254 11.222 -3.621 212 HB2 SER 29 HB2 SER 29 4.554 12.911 -5.248 213 HB3 SER 29 HB3 SER 29 3.067 12.123 -5.739 214 HG SER 29 HG SER 29 3.485 14.727 -4.732 215 H ASP 30 H ASP 30 5.712 12.852 -2.647 216 HA ASP 30 HA ASP 30 4.380 14.787 -0.969 217 HB2 ASP 30 HB2 ASP 30 6.425 12.776 0.085 218 HB3 ASP 30 HB3 ASP 30 5.736 14.096 1.010 219 H HIS 31 H HIS 31 6.195 16.246 0.108 220 HA HIS 31 HA HIS 31 7.927 17.078 -1.943 221 HB2 HIS 31 HB2 HIS 31 7.836 17.842 0.989 222 HB3 HIS 31 HB3 HIS 31 8.747 18.687 -0.246 223 HD1 HIS 31 HD1 HIS 31 5.754 19.083 1.545 224 HD2 HIS 31 HD2 HIS 31 6.701 19.370 -2.531 225 HE1 HIS 31 HE1 HIS 31 3.913 20.494 0.481 226 HE2 HIS 31 HE2 HIS 31 4.578 20.681 -2.012 227 H ARG 32 H ARG 32 8.106 14.492 0.268 228 HA ARG 32 HA ARG 32 11.001 14.617 0.302 229 HB2 ARG 32 HB2 ARG 32 9.009 12.883 1.844 230 HB3 ARG 32 HB3 ARG 32 10.745 12.666 1.951 231 HG2 ARG 32 HG2 ARG 32 10.407 14.101 3.756 232 HG3 ARG 32 HG3 ARG 32 10.750 15.272 2.498 233 HD2 ARG 32 HD2 ARG 32 8.319 15.615 2.114 234 HD3 ARG 32 HD3 ARG 32 7.936 14.382 3.299 235 HE ARG 32 HE ARG 32 9.626 16.293 4.568 236 HH11 ARG 32 HH22 ARG 32 6.387 16.097 3.206 237 HH12 ARG 32 HH21 ARG 32 5.737 17.321 4.245 238 HH21 ARG 32 HH12 ARG 32 8.769 17.909 5.939 239 HH22 ARG 32 HH11 ARG 32 7.102 18.358 5.810 240 H GLY 33 H GLY 33 8.201 12.901 -1.014 241 HA2 GLY 33 HA2 GLY 33 9.294 11.766 -3.168 242 HA3 GLY 33 HA3 GLY 33 9.761 10.624 -1.924 243 H THR 34 H THR 34 8.276 9.314 -3.545 244 HA THR 34 HA THR 34 5.447 9.727 -3.035 245 HB THR 34 HB THR 34 7.124 7.896 -4.812 246 HG1 THR 34 HG1 THR 34 6.326 9.394 -6.306 247 HG21 THR 34 HG21 THR 34 5.276 6.463 -4.534 248 HG22 THR 34 HG22 THR 34 4.182 7.800 -4.106 249 HG23 THR 34 HG23 THR 34 4.656 7.546 -5.803 250 H ILE 35 H ILE 35 4.476 8.969 -1.272 251 HA ILE 35 HA ILE 35 5.757 6.780 0.143 252 HB ILE 35 HB ILE 35 3.460 8.601 0.868 253 HG12 ILE 35 HG12 ILE 35 6.397 8.601 1.587 254 HG13 ILE 35 HG13 ILE 35 5.477 9.868 0.801 255 HG21 ILE 35 HG21 ILE 35 3.731 7.675 3.150 256 HG22 ILE 35 HG22 ILE 35 3.159 6.474 1.967 257 HG23 ILE 35 HG23 ILE 35 4.858 6.462 2.496 258 HD11 ILE 35 HD11 ILE 35 4.049 10.036 2.907 259 HD12 ILE 35 HD12 ILE 35 5.195 8.917 3.684 260 HD13 ILE 35 HD13 ILE 35 5.752 10.510 3.119 261 H ILE 36 H ILE 36 4.901 4.727 0.364 262 HA ILE 36 HA ILE 36 2.300 4.279 -0.904 263 HB ILE 36 HB ILE 36 4.647 2.441 -1.317 264 HG12 ILE 36 HG12 ILE 36 3.725 4.676 -3.149 265 HG13 ILE 36 HG13 ILE 36 5.231 4.638 -2.253 266 HG21 ILE 36 HG21 ILE 36 1.987 1.993 -1.653 267 HG22 ILE 36 HG22 ILE 36 2.437 2.593 -3.266 268 HG23 ILE 36 HG23 ILE 36 3.275 1.183 -2.576 269 HD11 ILE 36 HD11 ILE 36 4.379 2.645 -4.404 270 HD12 ILE 36 HD12 ILE 36 5.623 3.908 -4.567 271 HD13 ILE 36 HD13 ILE 36 5.885 2.539 -3.461 272 H GLU 37 H GLU 37 0.935 3.083 0.336 273 HA GLU 37 HA GLU 37 2.174 1.474 2.417 274 HB2 GLU 37 HB2 GLU 37 1.521 3.262 3.760 275 HB3 GLU 37 HB3 GLU 37 0.170 3.692 2.731 276 HG2 GLU 37 HG2 GLU 37 -1.145 1.797 3.529 277 HG3 GLU 37 HG3 GLU 37 0.234 1.123 4.376 278 H ARG 38 H ARG 38 1.555 -0.615 2.090 279 HA ARG 38 HA ARG 38 -1.105 -0.985 0.966 280 HB2 ARG 38 HB2 ARG 38 1.225 -2.955 0.794 281 HB3 ARG 38 HB3 ARG 38 -0.284 -3.032 -0.093 282 HG2 ARG 38 HG2 ARG 38 0.276 -1.056 -1.395 283 HG3 ARG 38 HG3 ARG 38 1.645 -0.686 -0.365 284 HD2 ARG 38 HD2 ARG 38 2.989 -2.352 -1.301 285 HD3 ARG 38 HD3 ARG 38 1.631 -3.394 -1.679 286 HE ARG 38 HE ARG 38 1.138 -2.000 -3.627 287 HH11 ARG 38 HH22 ARG 38 4.152 -1.230 -1.981 288 HH12 ARG 38 HH21 ARG 38 4.828 -0.393 -3.339 289 HH21 ARG 38 HH12 ARG 38 2.030 -0.896 -5.418 290 HH22 ARG 38 HH11 ARG 38 3.613 -0.202 -5.307 291 H GLY 39 H GLY 39 -2.184 -3.114 1.654 292 HA2 GLY 39 HA2 GLY 39 -1.256 -4.597 3.858 293 HA3 GLY 39 HA3 GLY 39 -2.298 -3.315 4.443 294 H CYS 40 H CYS 40 -3.420 -5.569 5.043 295 HA CYS 40 HA CYS 40 -4.912 -6.652 2.833 296 HB2 CYS 40 HB2 CYS 40 -4.609 -7.340 5.737 297 HB3 CYS 40 HB3 CYS 40 -5.970 -7.972 4.831 298 H GLY 41 H GLY 41 -7.299 -6.617 2.786 299 HA2 GLY 41 HA2 GLY 41 -9.371 -5.844 3.513 300 HA3 GLY 41 HA3 GLY 41 -8.590 -4.667 4.550 301 H CYS 42 H CYS 42 -10.297 -3.237 3.453 302 HA CYS 42 HA CYS 42 -8.998 -1.954 1.200 303 HB2 CYS 42 HB2 CYS 42 -10.525 -3.411 0.072 304 HB3 CYS 42 HB3 CYS 42 -11.841 -2.972 1.143 305 HA PRO 43 HA PRO 43 -10.492 0.770 4.655 306 HB2 PRO 43 HB2 PRO 43 -8.161 2.195 4.760 307 HB3 PRO 43 HB3 PRO 43 -8.361 0.613 5.600 308 HG2 PRO 43 HG2 PRO 43 -7.118 1.213 2.935 309 HG3 PRO 43 HG3 PRO 43 -6.493 0.195 4.287 310 HD2 PRO 43 HD2 PRO 43 -7.727 -0.864 2.147 311 HD3 PRO 43 HD3 PRO 43 -7.933 -1.535 3.808 312 H LYS 44 H LYS 44 -10.203 3.362 4.682 313 HA LYS 44 HA LYS 44 -10.656 4.218 1.908 314 HB2 LYS 44 HB2 LYS 44 -12.675 4.222 3.367 315 HB3 LYS 44 HB3 LYS 44 -11.877 5.350 4.443 316 HG2 LYS 44 HG2 LYS 44 -13.147 6.761 3.028 317 HG3 LYS 44 HG3 LYS 44 -11.537 6.853 2.343 318 HD2 LYS 44 HD2 LYS 44 -12.911 6.483 0.449 319 HD3 LYS 44 HD3 LYS 44 -12.264 4.891 0.793 320 HE2 LYS 44 HE2 LYS 44 -14.894 5.740 2.045 321 HE3 LYS 44 HE3 LYS 44 -14.865 5.195 0.380 322 HZ1 LYS 44 HZ1 LYS 44 -13.387 3.354 1.676 323 HZ2 LYS 44 HZ2 LYS 44 -14.564 3.683 2.759 324 HZ3 LYS 44 HZ3 LYS 44 -14.955 3.182 1.255 325 H VAL 45 H VAL 45 -9.613 6.075 1.160 326 HA VAL 45 HA VAL 45 -7.604 7.141 3.023 327 HB VAL 45 HB VAL 45 -6.168 7.480 1.135 328 HG11 VAL 45 HG11 VAL 45 -7.367 4.690 1.166 329 HG12 VAL 45 HG12 VAL 45 -5.820 5.121 0.398 330 HG13 VAL 45 HG13 VAL 45 -6.018 5.294 2.159 331 HG21 VAL 45 HG21 VAL 45 -8.603 6.726 -0.458 332 HG22 VAL 45 HG22 VAL 45 -7.453 8.063 -0.699 333 HG23 VAL 45 HG23 VAL 45 -6.983 6.398 -1.117 334 H LYS 46 H LYS 46 -6.963 9.462 2.520 335 HA LYS 46 HA LYS 46 -9.409 10.962 2.150 336 HB2 LYS 46 HB2 LYS 46 -6.706 12.128 2.793 337 HB3 LYS 46 HB3 LYS 46 -8.297 12.745 3.193 338 HG2 LYS 46 HG2 LYS 46 -8.515 10.425 4.514 339 HG3 LYS 46 HG3 LYS 46 -6.764 10.478 4.475 340 HD2 LYS 46 HD2 LYS 46 -8.242 12.969 5.327 341 HD3 LYS 46 HD3 LYS 46 -8.157 11.634 6.458 342 HE2 LYS 46 HE2 LYS 46 -5.585 11.623 5.948 343 HE3 LYS 46 HE3 LYS 46 -5.853 13.204 5.242 344 HZ1 LYS 46 HZ1 LYS 46 -5.478 13.777 7.371 345 HZ2 LYS 46 HZ2 LYS 46 -7.090 13.549 7.504 346 HZ3 LYS 46 HZ3 LYS 46 -6.057 12.388 8.007 347 HA PRO 47 HA PRO 47 -8.900 12.639 -1.816 348 HB2 PRO 47 HB2 PRO 47 -8.430 15.326 -0.577 349 HB3 PRO 47 HB3 PRO 47 -9.653 14.818 -1.801 350 HG2 PRO 47 HG2 PRO 47 -10.358 15.229 0.715 351 HG3 PRO 47 HG3 PRO 47 -10.990 13.805 -0.193 352 HD2 PRO 47 HD2 PRO 47 -8.768 13.960 1.822 353 HD3 PRO 47 HD3 PRO 47 -10.096 12.750 1.667 354 H GLY 48 H GLY 48 -7.127 12.737 -3.255 355 HA2 GLY 48 HA2 GLY 48 -5.107 13.721 -3.972 356 HA3 GLY 48 HA3 GLY 48 -4.651 14.013 -2.305 357 H VAL 49 H VAL 49 -5.450 11.353 -1.285 358 HA VAL 49 HA VAL 49 -3.067 9.953 -2.087 359 HB VAL 49 HB VAL 49 -5.167 8.948 -0.188 360 HG11 VAL 49 HG11 VAL 49 -2.157 8.667 -0.411 361 HG12 VAL 49 HG12 VAL 49 -3.089 8.139 1.011 362 HG13 VAL 49 HG13 VAL 49 -3.395 7.400 -0.580 363 HG21 VAL 49 HG21 VAL 49 -5.016 10.847 0.998 364 HG22 VAL 49 HG22 VAL 49 -3.368 10.314 1.410 365 HG23 VAL 49 HG23 VAL 49 -3.628 11.432 0.049 366 H ASN 50 H ASN 50 -2.984 7.870 -3.057 367 HA ASN 50 HA ASN 50 -5.361 7.340 -4.623 368 HB2 ASN 50 HB2 ASN 50 -2.422 6.584 -4.880 369 HB3 ASN 50 HB3 ASN 50 -3.634 5.700 -5.786 370 HD21 ASN 50 HD21 ASN 50 -1.820 8.584 -5.472 371 HD22 ASN 50 HD22 ASN 50 -2.411 9.438 -6.858 372 H LEU 51 H LEU 51 -6.352 5.215 -4.585 373 HA LEU 51 HA LEU 51 -5.173 3.250 -2.790 374 HB2 LEU 51 HB2 LEU 51 -6.568 4.454 -1.297 375 HB3 LEU 51 HB3 LEU 51 -7.892 4.500 -2.445 376 HG LEU 51 HG LEU 51 -8.222 2.085 -2.213 377 HD11 LEU 51 HD11 LEU 51 -6.811 1.312 0.037 378 HD12 LEU 51 HD12 LEU 51 -6.459 0.845 -1.644 379 HD13 LEU 51 HD13 LEU 51 -5.614 2.228 -0.908 380 HD21 LEU 51 HD21 LEU 51 -8.676 4.057 -0.201 381 HD22 LEU 51 HD22 LEU 51 -9.645 2.619 -0.601 382 HD23 LEU 51 HD23 LEU 51 -8.334 2.503 0.598 383 H ASN 52 H ASN 52 -5.615 1.117 -3.392 384 HA ASN 52 HA ASN 52 -7.459 0.821 -5.612 385 HB2 ASN 52 HB2 ASN 52 -5.434 0.815 -6.843 386 HB3 ASN 52 HB3 ASN 52 -4.517 0.104 -5.530 387 HD21 ASN 52 HD21 ASN 52 -6.654 -0.451 -8.204 388 HD22 ASN 52 HD22 ASN 52 -6.514 -2.175 -8.296 389 H CYS 53 H CYS 53 -8.899 -0.802 -5.004 390 HA CYS 53 HA CYS 53 -7.905 -2.782 -3.090 391 HB2 CYS 53 HB2 CYS 53 -10.749 -1.879 -3.595 392 HB3 CYS 53 HB3 CYS 53 -10.256 -3.110 -2.449 393 H CYS 54 H CYS 54 -8.309 -5.023 -3.551 394 HA CYS 54 HA CYS 54 -9.728 -5.660 -5.975 395 HB2 CYS 54 HB2 CYS 54 -7.677 -7.124 -6.656 396 HB3 CYS 54 HB3 CYS 54 -7.795 -5.447 -7.153 397 H ARG 55 H ARG 55 -9.845 -8.165 -6.162 398 HA ARG 55 HA ARG 55 -9.821 -9.220 -3.451 399 HB2 ARG 55 HB2 ARG 55 -11.552 -9.975 -5.858 400 HB3 ARG 55 HB3 ARG 55 -11.589 -10.830 -4.329 401 HG2 ARG 55 HG2 ARG 55 -12.644 -9.079 -3.203 402 HG3 ARG 55 HG3 ARG 55 -11.928 -7.844 -4.220 403 HD2 ARG 55 HD2 ARG 55 -14.231 -9.712 -4.948 404 HD3 ARG 55 HD3 ARG 55 -14.307 -7.973 -4.747 405 HE ARG 55 HE ARG 55 -12.370 -8.399 -6.737 406 HH11 ARG 55 HH22 ARG 55 -15.787 -9.121 -6.308 407 HH12 ARG 55 HH21 ARG 55 -16.143 -9.062 -8.002 408 HH21 ARG 55 HH12 ARG 55 -12.839 -8.320 -8.972 409 HH22 ARG 55 HH11 ARG 55 -14.455 -8.603 -9.527 410 H THR 56 H THR 56 -7.385 -9.286 -4.777 411 HA THR 56 HA THR 56 -7.136 -12.142 -5.395 412 HB THR 56 HB THR 56 -5.367 -11.217 -7.155 413 HG1 THR 56 HG1 THR 56 -7.176 -9.135 -7.601 414 HG21 THR 56 HG21 THR 56 -8.381 -10.906 -7.619 415 HG22 THR 56 HG22 THR 56 -7.147 -10.979 -8.899 416 HG23 THR 56 HG23 THR 56 -7.449 -12.401 -7.872 417 H ASP 57 H ASP 57 -5.247 -13.133 -4.688 418 HA ASP 57 HA ASP 57 -4.129 -12.003 -2.436 419 HB2 ASP 57 HB2 ASP 57 -3.050 -14.205 -4.260 420 HB3 ASP 57 HB3 ASP 57 -2.441 -13.874 -2.651 421 H ARG 58 H ARG 58 -2.061 -10.964 -2.095 422 HA ARG 58 HA ARG 58 -0.548 -9.488 -2.628 423 HB2 ARG 58 HB2 ARG 58 0.386 -11.380 -4.821 424 HB3 ARG 58 HB3 ARG 58 1.368 -10.404 -3.747 425 HG2 ARG 58 HG2 ARG 58 0.268 -11.849 -1.826 426 HG3 ARG 58 HG3 ARG 58 -0.144 -12.959 -3.118 427 HD2 ARG 58 HD2 ARG 58 2.298 -13.005 -3.798 428 HD3 ARG 58 HD3 ARG 58 2.671 -11.989 -2.420 429 HE ARG 58 HE ARG 58 2.520 -13.872 -1.054 430 HH11 ARG 58 HH22 ARG 58 0.696 -14.478 -4.002 431 HH12 ARG 58 HH21 ARG 58 0.332 -16.121 -3.591 432 HH21 ARG 58 HH12 ARG 58 2.040 -16.039 -0.511 433 HH22 ARG 58 HH11 ARG 58 1.102 -17.015 -1.592 434 H CYS 59 H CYS 59 -3.042 -9.049 -4.056 435 HA CYS 59 HA CYS 59 -2.299 -8.401 -6.761 436 HB2 CYS 59 HB2 CYS 59 -4.575 -7.877 -7.118 437 HB3 CYS 59 HB3 CYS 59 -4.521 -9.353 -6.175 438 H ASN 60 H ASN 60 -2.434 -6.970 -3.560 439 HA ASN 60 HA ASN 60 -2.451 -4.302 -4.656 440 HB2 ASN 60 HB2 ASN 60 -2.605 -3.569 -2.305 441 HB3 ASN 60 HB3 ASN 60 -3.783 -4.836 -2.586 442 HD21 ASN 60 HD21 ASN 60 -2.068 -3.795 -0.252 443 HD22 ASN 60 HD22 ASN 60 -1.439 -5.223 0.499 444 H ASN 61 H ASN 61 -0.206 -5.624 -5.557 445 HA ASN 61 HA ASN 61 1.912 -5.323 -3.663 446 HB2 ASN 61 HB2 ASN 61 2.246 -7.175 -5.116 447 HB3 ASN 61 HB3 ASN 61 1.659 -6.308 -6.521 448 HD21 ASN 61 HD21 ASN 61 4.335 -7.411 -4.893 449 HD22 ASN 61 HD22 ASN 61 5.583 -6.479 -5.652 Start of MODEL 20 1 H1 LEU 1 H1 LEU 1 -5.732 -15.012 2.966 2 H2 LEU 1 H2 LEU 1 -5.734 -16.144 1.758 3 H3 LEU 1 H3 LEU 1 -7.121 -15.313 2.116 4 HA LEU 1 HA LEU 1 -5.387 -14.732 0.197 5 HB2 LEU 1 HB2 LEU 1 -7.660 -14.058 0.155 6 HB3 LEU 1 HB3 LEU 1 -7.481 -13.082 1.600 7 HG LEU 1 HG LEU 1 -5.771 -11.715 0.165 8 HD11 LEU 1 HD11 LEU 1 -6.450 -11.666 -2.252 9 HD12 LEU 1 HD12 LEU 1 -5.574 -13.129 -1.742 10 HD13 LEU 1 HD13 LEU 1 -7.339 -13.181 -1.967 11 HD21 LEU 1 HD21 LEU 1 -8.770 -11.632 0.077 12 HD22 LEU 1 HD22 LEU 1 -7.622 -10.548 0.899 13 HD23 LEU 1 HD23 LEU 1 -7.815 -10.466 -0.869 14 H GLU 2 H GLU 2 -3.605 -13.434 -0.138 15 HA GLU 2 HA GLU 2 -2.585 -12.178 2.288 16 HB2 GLU 2 HB2 GLU 2 -0.956 -13.092 -0.118 17 HB3 GLU 2 HB3 GLU 2 -0.338 -12.569 1.437 18 HG2 GLU 2 HG2 GLU 2 -0.249 -14.934 1.576 19 HG3 GLU 2 HG3 GLU 2 -1.707 -14.530 2.459 20 H CYS 3 H CYS 3 -1.637 -10.054 2.134 21 HA CYS 3 HA CYS 3 -2.039 -8.730 -0.434 22 HB2 CYS 3 HB2 CYS 3 -2.888 -7.452 2.164 23 HB3 CYS 3 HB3 CYS 3 -3.132 -6.853 0.536 24 H HIS 4 H HIS 4 -0.376 -7.242 -0.897 25 HA HIS 4 HA HIS 4 1.997 -7.505 0.525 26 HB2 HIS 4 HB2 HIS 4 0.996 -5.724 -1.665 27 HB3 HIS 4 HB3 HIS 4 2.508 -5.314 -0.881 28 HD1 HIS 4 HD1 HIS 4 4.545 -6.915 -1.249 29 HD2 HIS 4 HD2 HIS 4 1.055 -8.047 -3.283 30 HE1 HIS 4 HE1 HIS 4 5.247 -8.696 -2.936 31 HE2 HIS 4 HE2 HIS 4 3.052 -9.392 -4.118 32 H ASN 5 H ASN 5 3.136 -6.063 1.927 33 HA ASN 5 HA ASN 5 1.445 -3.973 3.044 34 HB2 ASN 5 HB2 ASN 5 1.991 -4.612 5.282 35 HB3 ASN 5 HB3 ASN 5 1.677 -6.140 4.484 36 HD21 ASN 5 HD21 ASN 5 3.512 -4.979 6.716 37 HD22 ASN 5 HD22 ASN 5 5.043 -5.740 6.438 38 H GLN 6 H GLN 6 3.919 -4.375 1.106 39 HA GLN 6 HA GLN 6 6.142 -3.362 2.443 40 HB2 GLN 6 HB2 GLN 6 7.023 -2.945 0.137 41 HB3 GLN 6 HB3 GLN 6 6.375 -4.561 0.336 42 HG2 GLN 6 HG2 GLN 6 4.174 -3.716 -0.643 43 HG3 GLN 6 HG3 GLN 6 4.971 -2.193 -0.985 44 HE21 GLN 6 HE21 GLN 6 7.511 -3.099 -1.671 45 HE22 GLN 6 HE22 GLN 6 7.447 -3.955 -3.175 46 H GLN 7 H GLN 7 7.022 -1.232 2.558 47 HA GLN 7 HA GLN 7 5.011 0.814 2.057 48 HB2 GLN 7 HB2 GLN 7 5.498 0.907 4.351 49 HB3 GLN 7 HB3 GLN 7 7.186 0.494 4.123 50 HG2 GLN 7 HG2 GLN 7 7.050 2.856 4.713 51 HG3 GLN 7 HG3 GLN 7 7.568 2.736 3.043 52 HE21 GLN 7 HE21 GLN 7 4.758 3.186 5.138 53 HE22 GLN 7 HE22 GLN 7 3.810 4.146 4.052 54 H SER 8 H SER 8 5.446 2.513 0.660 55 HA SER 8 HA SER 8 6.415 3.570 -0.974 56 HB2 SER 8 HB2 SER 8 8.998 3.259 0.616 57 HB3 SER 8 HB3 SER 8 8.651 4.501 -0.571 58 HG SER 8 HG SER 8 8.297 5.390 1.491 59 H SER 9 H SER 9 9.636 2.921 -1.185 60 HA SER 9 HA SER 9 9.155 0.949 -3.231 61 HB2 SER 9 HB2 SER 9 11.710 2.464 -2.533 62 HB3 SER 9 HB3 SER 9 11.461 1.482 -3.962 63 HG SER 9 HG SER 9 10.836 3.347 -4.830 64 H GLN 10 H GLN 10 9.656 0.856 0.027 65 HA GLN 10 HA GLN 10 11.828 -0.629 0.548 66 HB2 GLN 10 HB2 GLN 10 9.044 -1.025 1.734 67 HB3 GLN 10 HB3 GLN 10 10.539 -1.570 2.469 68 HG2 GLN 10 HG2 GLN 10 10.338 1.338 1.693 69 HG3 GLN 10 HG3 GLN 10 9.430 0.805 3.094 70 HE21 GLN 10 HE21 GLN 10 12.599 1.115 1.642 71 HE22 GLN 10 HE22 GLN 10 13.546 0.987 3.087 72 HA PRO 11 HA PRO 11 11.700 -4.709 -0.988 73 HB2 PRO 11 HB2 PRO 11 11.377 -5.713 1.816 74 HB3 PRO 11 HB3 PRO 11 12.626 -6.122 0.581 75 HG2 PRO 11 HG2 PRO 11 13.211 -4.526 2.608 76 HG3 PRO 11 HG3 PRO 11 13.778 -4.136 0.941 77 HD2 PRO 11 HD2 PRO 11 11.459 -3.015 2.486 78 HD3 PRO 11 HD3 PRO 11 12.691 -2.162 1.483 79 HA PRO 12 HA PRO 12 7.351 -5.590 -1.403 80 HB2 PRO 12 HB2 PRO 12 8.503 -8.120 -2.522 81 HB3 PRO 12 HB3 PRO 12 7.304 -6.981 -3.242 82 HG2 PRO 12 HG2 PRO 12 9.812 -7.005 -4.084 83 HG3 PRO 12 HG3 PRO 12 8.953 -5.444 -3.807 84 HD2 PRO 12 HD2 PRO 12 10.945 -6.869 -2.069 85 HD3 PRO 12 HD3 PRO 12 10.838 -5.121 -2.497 86 H THR 13 H THR 13 6.082 -6.369 0.309 87 HA THR 13 HA THR 13 6.823 -8.971 1.451 88 HB THR 13 HB THR 13 6.068 -7.799 3.696 89 HG1 THR 13 HG1 THR 13 5.437 -5.872 2.279 90 HG21 THR 13 HG21 THR 13 8.683 -7.049 2.285 91 HG22 THR 13 HG22 THR 13 8.360 -6.760 4.012 92 HG23 THR 13 HG23 THR 13 8.436 -8.425 3.387 93 H THR 14 H THR 14 4.921 -9.738 2.954 94 HA THR 14 HA THR 14 2.347 -8.875 1.909 95 HB THR 14 HB THR 14 1.907 -11.448 1.500 96 HG1 THR 14 HG1 THR 14 4.226 -12.175 0.689 97 HG21 THR 14 HG21 THR 14 3.020 -11.340 -0.793 98 HG22 THR 14 HG22 THR 14 1.975 -9.944 -0.438 99 HG23 THR 14 HG23 THR 14 3.743 -9.789 -0.304 100 H LYS 15 H LYS 15 0.522 -9.734 3.156 101 HA LYS 15 HA LYS 15 1.262 -10.932 5.693 102 HB2 LYS 15 HB2 LYS 15 1.368 -8.325 5.781 103 HB3 LYS 15 HB3 LYS 15 -0.382 -8.410 5.754 104 HG2 LYS 15 HG2 LYS 15 -0.031 -8.518 8.050 105 HG3 LYS 15 HG3 LYS 15 -0.016 -10.230 7.677 106 HD2 LYS 15 HD2 LYS 15 2.580 -8.681 7.542 107 HD3 LYS 15 HD3 LYS 15 1.947 -9.138 9.111 108 HE2 LYS 15 HE2 LYS 15 1.679 -11.536 7.898 109 HE3 LYS 15 HE3 LYS 15 2.957 -10.899 6.882 110 HZ1 LYS 15 HZ1 LYS 15 3.736 -10.283 9.398 111 HZ2 LYS 15 HZ2 LYS 15 3.089 -11.773 9.567 112 HZ3 LYS 15 HZ3 LYS 15 4.300 -11.524 8.500 113 H THR 16 H THR 16 -0.532 -11.966 6.750 114 HA THR 16 HA THR 16 -2.529 -12.820 4.870 115 HB THR 16 HB THR 16 -2.401 -13.478 7.840 116 HG1 THR 16 HG1 THR 16 -0.662 -14.918 7.204 117 HG21 THR 16 HG21 THR 16 -4.054 -14.865 6.946 118 HG22 THR 16 HG22 THR 16 -3.385 -14.764 5.300 119 HG23 THR 16 HG23 THR 16 -2.627 -15.833 6.504 120 H CYS 17 H CYS 17 -4.620 -12.222 4.672 121 HA CYS 17 HA CYS 17 -5.390 -9.902 6.199 122 HB2 CYS 17 HB2 CYS 17 -7.084 -11.256 4.116 123 HB3 CYS 17 HB3 CYS 17 -7.097 -9.580 4.627 124 H SER 18 H SER 18 -6.612 -10.063 8.051 125 HA SER 18 HA SER 18 -7.875 -12.636 8.526 126 HB2 SER 18 HB2 SER 18 -6.181 -11.643 10.177 127 HB3 SER 18 HB3 SER 18 -7.369 -10.407 10.540 128 HG SER 18 HG SER 18 -8.841 -12.060 11.246 129 H GLY 19 H GLY 19 -10.058 -12.746 8.163 130 HA2 GLY 19 HA2 GLY 19 -12.248 -12.169 8.312 131 HA3 GLY 19 HA3 GLY 19 -11.809 -10.677 9.119 132 H GLU 20 H GLU 20 -9.767 -10.492 6.601 133 HA GLU 20 HA GLU 20 -11.753 -9.099 4.999 134 HB2 GLU 20 HB2 GLU 20 -8.745 -8.764 4.759 135 HB3 GLU 20 HB3 GLU 20 -10.002 -7.651 4.257 136 HG2 GLU 20 HG2 GLU 20 -10.556 -7.081 6.539 137 HG3 GLU 20 HG3 GLU 20 -9.634 -8.428 7.179 138 H THR 21 H THR 21 -11.521 -9.193 2.592 139 HA THR 21 HA THR 21 -10.092 -11.578 1.662 140 HB THR 21 HB THR 21 -12.275 -11.991 0.269 141 HG1 THR 21 HG1 THR 21 -14.120 -11.002 1.384 142 HG21 THR 21 HG21 THR 21 -11.745 -13.533 2.116 143 HG22 THR 21 HG22 THR 21 -12.266 -12.324 3.314 144 HG23 THR 21 HG23 THR 21 -13.462 -13.080 2.233 145 H ASN 22 H ASN 22 -9.944 -8.449 1.589 146 HA ASN 22 HA ASN 22 -9.527 -8.424 -1.289 147 HB2 ASN 22 HB2 ASN 22 -10.712 -6.156 0.399 148 HB3 ASN 22 HB3 ASN 22 -10.266 -6.001 -1.289 149 HD21 ASN 22 HD21 ASN 22 -12.408 -7.547 1.010 150 HD22 ASN 22 HD22 ASN 22 -13.662 -8.007 -0.093 151 H CYS 23 H CYS 23 -7.795 -6.824 -1.929 152 HA CYS 23 HA CYS 23 -6.060 -6.196 0.349 153 HB2 CYS 23 HB2 CYS 23 -5.195 -6.829 -2.479 154 HB3 CYS 23 HB3 CYS 23 -4.148 -6.485 -1.116 155 H TYR 24 H TYR 24 -5.244 -4.062 0.440 156 HA TYR 24 HA TYR 24 -6.224 -2.278 -1.687 157 HB2 TYR 24 HB2 TYR 24 -6.672 -0.711 0.106 158 HB3 TYR 24 HB3 TYR 24 -7.181 -2.250 0.774 159 HD1 TYR 24 HD1 TYR 24 -4.550 0.342 0.848 160 HD2 TYR 24 HD2 TYR 24 -5.994 -3.276 2.617 161 HE1 TYR 24 HE1 TYR 24 -2.975 0.667 2.817 162 HE2 TYR 24 HE2 TYR 24 -4.414 -2.939 4.580 163 HH TYR 24 HH TYR 24 -2.213 -0.148 4.663 164 H LYS 25 H LYS 25 -4.860 -0.503 -2.303 165 HA LYS 25 HA LYS 25 -2.139 -0.621 -1.247 166 HB2 LYS 25 HB2 LYS 25 -1.942 -1.985 -3.175 167 HB3 LYS 25 HB3 LYS 25 -2.951 -0.926 -4.140 168 HG2 LYS 25 HG2 LYS 25 -1.155 0.906 -3.722 169 HG3 LYS 25 HG3 LYS 25 -0.132 -0.384 -3.121 170 HD2 LYS 25 HD2 LYS 25 0.219 0.135 -5.571 171 HD3 LYS 25 HD3 LYS 25 -0.182 -1.541 -5.257 172 HE2 LYS 25 HE2 LYS 25 -2.431 -1.278 -6.035 173 HE3 LYS 25 HE3 LYS 25 -2.368 0.468 -5.907 174 HZ1 LYS 25 HZ1 LYS 25 -0.367 -0.076 -7.602 175 HZ2 LYS 25 HZ2 LYS 25 -1.463 -1.212 -8.019 176 HZ3 LYS 25 HZ3 LYS 25 -1.873 0.368 -8.051 177 H LYS 26 H LYS 26 -1.615 1.360 -0.512 178 HA LYS 26 HA LYS 26 -2.976 3.631 -1.781 179 HB2 LYS 26 HB2 LYS 26 -1.710 3.829 0.925 180 HB3 LYS 26 HB3 LYS 26 -3.080 4.697 0.262 181 HG2 LYS 26 HG2 LYS 26 -4.490 2.678 0.400 182 HG3 LYS 26 HG3 LYS 26 -3.120 1.713 0.913 183 HD2 LYS 26 HD2 LYS 26 -3.073 2.651 3.060 184 HD3 LYS 26 HD3 LYS 26 -3.780 4.166 2.535 185 HE2 LYS 26 HE2 LYS 26 -5.904 2.617 2.002 186 HE3 LYS 26 HE3 LYS 26 -5.154 1.553 3.175 187 HZ1 LYS 26 HZ1 LYS 26 -5.023 4.031 4.286 188 HZ2 LYS 26 HZ2 LYS 26 -6.508 3.982 3.610 189 HZ3 LYS 26 HZ3 LYS 26 -6.066 2.842 4.692 190 H TRP 27 H TRP 27 -1.763 5.416 -2.481 191 HA TRP 27 HA TRP 27 1.063 5.482 -1.993 192 HB2 TRP 27 HB2 TRP 27 1.832 5.187 -4.210 193 HB3 TRP 27 HB3 TRP 27 0.879 3.778 -3.787 194 HD1 TRP 27 HD1 TRP 27 0.936 6.683 -6.257 195 HE1 TRP 27 HE1 TRP 27 -0.941 6.444 -8.097 196 HE3 TRP 27 HE3 TRP 27 -1.500 2.819 -4.022 197 HZ2 TRP 27 HZ2 TRP 27 -3.183 4.706 -8.404 198 HZ3 TRP 27 HZ3 TRP 27 -3.524 1.910 -5.158 199 HH2 TRP 27 HH2 TRP 27 -4.372 2.790 -7.274 200 H TRP 28 H TRP 28 1.881 7.596 -2.440 201 HA TRP 28 HA TRP 28 0.273 9.462 -3.899 202 HB2 TRP 28 HB2 TRP 28 -0.204 10.980 -2.098 203 HB3 TRP 28 HB3 TRP 28 -0.966 9.431 -1.799 204 HD1 TRP 28 HD1 TRP 28 1.636 11.788 -0.311 205 HE1 TRP 28 HE1 TRP 28 2.456 10.974 2.062 206 HE3 TRP 28 HE3 TRP 28 -0.596 7.224 -0.523 207 HZ2 TRP 28 HZ2 TRP 28 2.087 8.567 3.550 208 HZ3 TRP 28 HZ3 TRP 28 -0.317 5.703 1.431 209 HH2 TRP 28 HH2 TRP 28 0.970 6.310 3.419 210 H SER 29 H SER 29 1.431 11.727 -3.697 211 HA SER 29 HA SER 29 4.277 11.130 -3.636 212 HB2 SER 29 HB2 SER 29 3.692 11.929 -5.794 213 HB3 SER 29 HB3 SER 29 2.597 13.139 -5.158 214 HG SER 29 HG SER 29 4.229 14.507 -5.268 215 H ASP 30 H ASP 30 5.752 12.731 -2.658 216 HA ASP 30 HA ASP 30 4.447 14.704 -1.004 217 HB2 ASP 30 HB2 ASP 30 6.295 12.501 0.011 218 HB3 ASP 30 HB3 ASP 30 6.003 13.968 0.924 219 H HIS 31 H HIS 31 6.278 16.144 0.067 220 HA HIS 31 HA HIS 31 8.044 16.916 -1.982 221 HB2 HIS 31 HB2 HIS 31 6.912 18.238 0.003 222 HB3 HIS 31 HB3 HIS 31 8.373 17.801 0.866 223 HD1 HIS 31 HD1 HIS 31 9.304 20.203 0.953 224 HD2 HIS 31 HD2 HIS 31 8.563 18.824 -2.939 225 HE1 HIS 31 HE1 HIS 31 10.384 21.894 -0.623 226 HE2 HIS 31 HE2 HIS 31 9.943 20.965 -2.997 227 H ARG 32 H ARG 32 8.152 14.346 0.236 228 HA ARG 32 HA ARG 32 11.047 14.437 0.337 229 HB2 ARG 32 HB2 ARG 32 8.901 13.078 1.962 230 HB3 ARG 32 HB3 ARG 32 10.449 12.265 1.850 231 HG2 ARG 32 HG2 ARG 32 10.521 13.695 3.808 232 HG3 ARG 32 HG3 ARG 32 11.578 14.403 2.603 233 HD2 ARG 32 HD2 ARG 32 10.201 16.175 3.600 234 HD3 ARG 32 HD3 ARG 32 9.738 15.971 1.922 235 HE ARG 32 HE ARG 32 7.618 15.308 2.633 236 HH11 ARG 32 HH22 ARG 32 9.891 14.834 5.278 237 HH12 ARG 32 HH21 ARG 32 8.669 14.370 6.414 238 HH21 ARG 32 HH12 ARG 32 6.006 14.697 4.132 239 HH22 ARG 32 HH11 ARG 32 6.444 14.292 5.758 240 H GLY 33 H GLY 33 8.254 12.748 -1.034 241 HA2 GLY 33 HA2 GLY 33 9.368 11.602 -3.167 242 HA3 GLY 33 HA3 GLY 33 9.817 10.460 -1.916 243 H THR 34 H THR 34 8.347 9.153 -3.554 244 HA THR 34 HA THR 34 5.515 9.577 -3.089 245 HB THR 34 HB THR 34 7.223 7.745 -4.830 246 HG1 THR 34 HG1 THR 34 5.692 9.024 -6.342 247 HG21 THR 34 HG21 THR 34 4.724 6.972 -3.824 248 HG22 THR 34 HG22 THR 34 4.305 7.813 -5.335 249 HG23 THR 34 HG23 THR 34 5.420 6.426 -5.368 250 H ILE 35 H ILE 35 4.490 8.821 -1.357 251 HA ILE 35 HA ILE 35 5.739 6.627 0.092 252 HB ILE 35 HB ILE 35 3.494 8.519 0.799 253 HG12 ILE 35 HG12 ILE 35 6.422 8.406 1.540 254 HG13 ILE 35 HG13 ILE 35 5.548 9.715 0.769 255 HG21 ILE 35 HG21 ILE 35 3.064 6.440 1.907 256 HG22 ILE 35 HG22 ILE 35 4.767 6.288 2.402 257 HG23 ILE 35 HG23 ILE 35 3.750 7.573 3.097 258 HD11 ILE 35 HD11 ILE 35 5.271 8.745 3.643 259 HD12 ILE 35 HD12 ILE 35 5.810 10.344 3.077 260 HD13 ILE 35 HD13 ILE 35 4.107 9.861 2.889 261 H ILE 36 H ILE 36 4.856 4.589 0.283 262 HA ILE 36 HA ILE 36 2.250 4.198 -1.002 263 HB ILE 36 HB ILE 36 4.567 2.304 -1.340 264 HG12 ILE 36 HG12 ILE 36 3.697 4.516 -3.225 265 HG13 ILE 36 HG13 ILE 36 5.198 4.464 -2.322 266 HG21 ILE 36 HG21 ILE 36 2.550 1.171 -1.712 267 HG22 ILE 36 HG22 ILE 36 1.814 2.559 -2.548 268 HG23 ILE 36 HG23 ILE 36 3.113 1.631 -3.336 269 HD11 ILE 36 HD11 ILE 36 5.771 3.646 -4.485 270 HD12 ILE 36 HD12 ILE 36 5.634 2.182 -3.481 271 HD13 ILE 36 HD13 ILE 36 4.309 2.635 -4.580 272 H GLU 37 H GLU 37 0.827 3.245 0.348 273 HA GLU 37 HA GLU 37 1.986 1.620 2.476 274 HB2 GLU 37 HB2 GLU 37 -0.059 3.820 2.596 275 HB3 GLU 37 HB3 GLU 37 -0.282 2.456 3.673 276 HG2 GLU 37 HG2 GLU 37 2.347 2.862 4.136 277 HG3 GLU 37 HG3 GLU 37 1.944 4.485 3.611 278 H ARG 38 H ARG 38 1.422 -0.489 2.184 279 HA ARG 38 HA ARG 38 -1.190 -0.946 0.980 280 HB2 ARG 38 HB2 ARG 38 1.203 -2.849 0.931 281 HB3 ARG 38 HB3 ARG 38 -0.289 -3.023 0.027 282 HG2 ARG 38 HG2 ARG 38 0.212 -1.016 -1.301 283 HG3 ARG 38 HG3 ARG 38 1.615 -0.660 -0.313 284 HD2 ARG 38 HD2 ARG 38 2.903 -2.363 -1.266 285 HD3 ARG 38 HD3 ARG 38 1.515 -3.379 -1.602 286 HE ARG 38 HE ARG 38 1.103 -2.160 -3.614 287 HH11 ARG 38 HH22 ARG 38 3.800 -0.807 -1.803 288 HH12 ARG 38 HH21 ARG 38 4.373 0.152 -3.126 289 HH21 ARG 38 HH12 ARG 38 1.860 -0.895 -5.360 290 HH22 ARG 38 HH11 ARG 38 3.262 0.102 -5.163 291 H GLY 39 H GLY 39 -2.253 -3.071 1.697 292 HA2 GLY 39 HA2 GLY 39 -1.367 -4.480 3.964 293 HA3 GLY 39 HA3 GLY 39 -2.442 -3.199 4.486 294 H CYS 40 H CYS 40 -3.482 -5.533 5.085 295 HA CYS 40 HA CYS 40 -4.931 -6.646 2.868 296 HB2 CYS 40 HB2 CYS 40 -4.653 -7.307 5.780 297 HB3 CYS 40 HB3 CYS 40 -5.990 -7.972 4.864 298 H GLY 41 H GLY 41 -7.312 -6.655 2.770 299 HA2 GLY 41 HA2 GLY 41 -9.415 -5.926 3.450 300 HA3 GLY 41 HA3 GLY 41 -8.682 -4.737 4.508 301 H CYS 42 H CYS 42 -10.339 -3.285 3.424 302 HA CYS 42 HA CYS 42 -9.046 -2.017 1.158 303 HB2 CYS 42 HB2 CYS 42 -10.590 -3.448 0.034 304 HB3 CYS 42 HB3 CYS 42 -11.892 -3.023 1.126 305 HA PRO 43 HA PRO 43 -10.494 0.719 4.628 306 HB2 PRO 43 HB2 PRO 43 -8.140 2.108 4.736 307 HB3 PRO 43 HB3 PRO 43 -8.365 0.527 5.573 308 HG2 PRO 43 HG2 PRO 43 -7.112 1.113 2.910 309 HG3 PRO 43 HG3 PRO 43 -6.504 0.084 4.260 310 HD2 PRO 43 HD2 PRO 43 -7.753 -0.952 2.117 311 HD3 PRO 43 HD3 PRO 43 -7.970 -1.623 3.776 312 H LYS 44 H LYS 44 -10.147 3.309 4.659 313 HA LYS 44 HA LYS 44 -10.576 4.181 1.886 314 HB2 LYS 44 HB2 LYS 44 -12.181 5.767 2.681 315 HB3 LYS 44 HB3 LYS 44 -12.614 4.193 3.317 316 HG2 LYS 44 HG2 LYS 44 -11.167 4.915 5.411 317 HG3 LYS 44 HG3 LYS 44 -11.364 6.538 4.780 318 HD2 LYS 44 HD2 LYS 44 -13.697 4.643 5.326 319 HD3 LYS 44 HD3 LYS 44 -13.129 5.837 6.475 320 HE2 LYS 44 HE2 LYS 44 -13.792 7.668 5.101 321 HE3 LYS 44 HE3 LYS 44 -13.852 6.685 3.652 322 HZ1 LYS 44 HZ1 LYS 44 -15.624 6.025 5.861 323 HZ2 LYS 44 HZ2 LYS 44 -16.003 7.289 4.899 324 HZ3 LYS 44 HZ3 LYS 44 -15.842 5.795 4.259 325 H VAL 45 H VAL 45 -9.511 6.037 1.165 326 HA VAL 45 HA VAL 45 -7.507 7.062 3.055 327 HB VAL 45 HB VAL 45 -6.082 7.452 1.147 328 HG11 VAL 45 HG11 VAL 45 -5.724 5.078 0.409 329 HG12 VAL 45 HG12 VAL 45 -5.843 5.291 2.172 330 HG13 VAL 45 HG13 VAL 45 -7.227 4.644 1.258 331 HG21 VAL 45 HG21 VAL 45 -6.878 6.348 -1.090 332 HG22 VAL 45 HG22 VAL 45 -8.507 6.613 -0.423 333 HG23 VAL 45 HG23 VAL 45 -7.413 7.994 -0.674 334 H LYS 46 H LYS 46 -6.840 9.387 2.579 335 HA LYS 46 HA LYS 46 -9.271 10.917 2.268 336 HB2 LYS 46 HB2 LYS 46 -6.540 12.049 2.851 337 HB3 LYS 46 HB3 LYS 46 -8.113 12.678 3.299 338 HG2 LYS 46 HG2 LYS 46 -8.426 10.555 4.726 339 HG3 LYS 46 HG3 LYS 46 -6.737 10.200 4.426 340 HD2 LYS 46 HD2 LYS 46 -6.380 12.717 5.259 341 HD3 LYS 46 HD3 LYS 46 -7.943 12.473 6.013 342 HE2 LYS 46 HE2 LYS 46 -5.821 10.349 6.376 343 HE3 LYS 46 HE3 LYS 46 -5.682 11.835 7.295 344 HZ1 LYS 46 HZ1 LYS 46 -7.596 9.726 7.548 345 HZ2 LYS 46 HZ2 LYS 46 -7.058 10.785 8.668 346 HZ3 LYS 46 HZ3 LYS 46 -8.245 11.222 7.636 347 HA PRO 47 HA PRO 47 -8.846 12.620 -1.697 348 HB2 PRO 47 HB2 PRO 47 -8.326 15.293 -0.448 349 HB3 PRO 47 HB3 PRO 47 -9.583 14.804 -1.645 350 HG2 PRO 47 HG2 PRO 47 -10.223 15.199 0.891 351 HG3 PRO 47 HG3 PRO 47 -10.888 13.788 -0.014 352 HD2 PRO 47 HD2 PRO 47 -8.616 13.909 1.947 353 HD3 PRO 47 HD3 PRO 47 -9.956 12.710 1.815 354 H GLY 48 H GLY 48 -7.108 12.712 -3.176 355 HA2 GLY 48 HA2 GLY 48 -5.099 13.681 -3.938 356 HA3 GLY 48 HA3 GLY 48 -4.601 13.969 -2.282 357 H VAL 49 H VAL 49 -5.398 11.309 -1.251 358 HA VAL 49 HA VAL 49 -3.039 9.899 -2.103 359 HB VAL 49 HB VAL 49 -5.109 8.905 -0.166 360 HG11 VAL 49 HG11 VAL 49 -3.307 7.373 -0.682 361 HG12 VAL 49 HG12 VAL 49 -2.091 8.632 -0.357 362 HG13 VAL 49 HG13 VAL 49 -3.089 7.993 0.972 363 HG21 VAL 49 HG21 VAL 49 -4.910 10.790 1.031 364 HG22 VAL 49 HG22 VAL 49 -3.253 10.249 1.392 365 HG23 VAL 49 HG23 VAL 49 -3.548 11.374 0.045 366 H ASN 50 H ASN 50 -2.986 7.818 -3.081 367 HA ASN 50 HA ASN 50 -5.388 7.311 -4.612 368 HB2 ASN 50 HB2 ASN 50 -2.464 6.508 -4.898 369 HB3 ASN 50 HB3 ASN 50 -3.700 5.651 -5.797 370 HD21 ASN 50 HD21 ASN 50 -1.827 8.497 -5.490 371 HD22 ASN 50 HD22 ASN 50 -2.414 9.368 -6.866 372 H LEU 51 H LEU 51 -6.368 5.166 -4.607 373 HA LEU 51 HA LEU 51 -5.205 3.191 -2.824 374 HB2 LEU 51 HB2 LEU 51 -6.530 4.391 -1.277 375 HB3 LEU 51 HB3 LEU 51 -7.877 4.510 -2.393 376 HG LEU 51 HG LEU 51 -8.316 2.121 -2.195 377 HD11 LEU 51 HD11 LEU 51 -5.636 2.066 -1.109 378 HD12 LEU 51 HD12 LEU 51 -6.787 1.277 -0.004 379 HD13 LEU 51 HD13 LEU 51 -6.659 0.732 -1.694 380 HD21 LEU 51 HD21 LEU 51 -9.635 2.679 -0.504 381 HD22 LEU 51 HD22 LEU 51 -8.282 2.439 0.627 382 HD23 LEU 51 HD23 LEU 51 -8.566 4.042 -0.093 383 H ASN 52 H ASN 52 -5.675 1.077 -3.447 384 HA ASN 52 HA ASN 52 -7.605 0.819 -5.598 385 HB2 ASN 52 HB2 ASN 52 -5.620 0.825 -6.900 386 HB3 ASN 52 HB3 ASN 52 -4.666 0.073 -5.636 387 HD21 ASN 52 HD21 ASN 52 -7.828 -0.811 -6.994 388 HD22 ASN 52 HD22 ASN 52 -7.395 -2.388 -7.563 389 H CYS 53 H CYS 53 -9.015 -0.834 -4.999 390 HA CYS 53 HA CYS 53 -7.979 -2.811 -3.105 391 HB2 CYS 53 HB2 CYS 53 -10.847 -1.980 -3.593 392 HB3 CYS 53 HB3 CYS 53 -10.301 -3.165 -2.424 393 H CYS 54 H CYS 54 -8.386 -5.060 -3.557 394 HA CYS 54 HA CYS 54 -9.811 -5.717 -5.965 395 HB2 CYS 54 HB2 CYS 54 -7.748 -7.126 -6.704 396 HB3 CYS 54 HB3 CYS 54 -7.902 -5.445 -7.176 397 H ARG 55 H ARG 55 -9.893 -8.216 -6.156 398 HA ARG 55 HA ARG 55 -9.772 -9.286 -3.453 399 HB2 ARG 55 HB2 ARG 55 -11.556 -10.067 -5.814 400 HB3 ARG 55 HB3 ARG 55 -11.538 -10.920 -4.283 401 HG2 ARG 55 HG2 ARG 55 -12.590 -9.184 -3.132 402 HG3 ARG 55 HG3 ARG 55 -11.924 -7.939 -4.171 403 HD2 ARG 55 HD2 ARG 55 -13.441 -8.901 -6.047 404 HD3 ARG 55 HD3 ARG 55 -14.239 -9.824 -4.789 405 HE ARG 55 HE ARG 55 -14.217 -7.218 -3.800 406 HH11 ARG 55 HH22 ARG 55 -15.408 -8.757 -6.732 407 HH12 ARG 55 HH21 ARG 55 -16.696 -7.621 -6.958 408 HH21 ARG 55 HH12 ARG 55 -15.916 -5.719 -4.097 409 HH22 ARG 55 HH11 ARG 55 -16.986 -5.881 -5.449 410 H THR 56 H THR 56 -7.375 -9.300 -4.852 411 HA THR 56 HA THR 56 -7.106 -12.145 -5.531 412 HB THR 56 HB THR 56 -5.345 -11.139 -7.263 413 HG1 THR 56 HG1 THR 56 -6.670 -9.047 -7.962 414 HG21 THR 56 HG21 THR 56 -8.372 -10.914 -7.689 415 HG22 THR 56 HG22 THR 56 -7.158 -10.850 -8.989 416 HG23 THR 56 HG23 THR 56 -7.372 -12.343 -8.044 417 H ASP 57 H ASP 57 -5.194 -13.141 -4.882 418 HA ASP 57 HA ASP 57 -4.085 -12.111 -2.585 419 HB2 ASP 57 HB2 ASP 57 -2.925 -14.164 -4.529 420 HB3 ASP 57 HB3 ASP 57 -2.371 -13.928 -2.883 421 H ARG 58 H ARG 58 -2.080 -10.995 -2.192 422 HA ARG 58 HA ARG 58 -0.631 -9.430 -2.661 423 HB2 ARG 58 HB2 ARG 58 0.430 -11.255 -4.855 424 HB3 ARG 58 HB3 ARG 58 1.349 -10.239 -3.762 425 HG2 ARG 58 HG2 ARG 58 0.292 -11.739 -1.862 426 HG3 ARG 58 HG3 ARG 58 -0.058 -12.860 -3.162 427 HD2 ARG 58 HD2 ARG 58 2.260 -13.162 -3.691 428 HD3 ARG 58 HD3 ARG 58 2.739 -11.717 -2.824 429 HE ARG 58 HE ARG 58 1.482 -13.494 -0.969 430 HH11 ARG 58 HH22 ARG 58 4.423 -13.245 -2.886 431 HH12 ARG 58 HH21 ARG 58 5.369 -14.198 -1.792 432 HH21 ARG 58 HH12 ARG 58 2.730 -14.751 0.475 433 HH22 ARG 58 HH11 ARG 58 4.400 -15.060 0.133 434 H CYS 59 H CYS 59 -3.083 -9.001 -4.105 435 HA CYS 59 HA CYS 59 -2.328 -8.316 -6.800 436 HB2 CYS 59 HB2 CYS 59 -4.611 -7.821 -7.170 437 HB3 CYS 59 HB3 CYS 59 -4.538 -9.311 -6.251 438 H ASN 60 H ASN 60 -2.489 -6.930 -3.587 439 HA ASN 60 HA ASN 60 -2.567 -4.247 -4.643 440 HB2 ASN 60 HB2 ASN 60 -2.741 -3.548 -2.291 441 HB3 ASN 60 HB3 ASN 60 -3.865 -4.865 -2.562 442 HD21 ASN 60 HD21 ASN 60 -2.114 -3.742 -0.267 443 HD22 ASN 60 HD22 ASN 60 -1.430 -5.149 0.476 444 H ASN 61 H ASN 61 -0.300 -5.551 -5.562 445 HA ASN 61 HA ASN 61 1.823 -5.182 -3.680 446 HB2 ASN 61 HB2 ASN 61 2.054 -7.083 -5.157 447 HB3 ASN 61 HB3 ASN 61 1.660 -6.131 -6.575 448 HD21 ASN 61 HD21 ASN 61 3.252 -5.442 -7.782 449 HD22 ASN 61 HD22 ASN 61 4.916 -5.276 -7.328
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